#DEFINITION	Reference Metabolome for Liriodendron chinense
#IDENTTFIER	RefMeta-Liriodendron chinense.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Liriodendron chinense
#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 Liriodendron chinense 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05512	17.6
57.07059	9.3
58.92053	2.3
62.77679	3.1
65.03943	2.7
67.05504	36.9
69.07060	28.2
71.45187	4.8
79.05492	19.5
81.07056	100.0
82.48964	2.3
82.69743	2.4
83.08635	11.7
85.06532	6.3
91.05485	25.7
93.07039	38.8
95.04958	5.8
95.08606	85.1
97.06505	3.1
97.10156	7.2
105.07034	62.3
107.08588	41.9
107.31757	2.3
108.12328	2.4
109.06522	5.5
109.09449	5.1
109.10152	66.5
111.08070	4.0
115.05493	2.9
117.07029	14.9
119.04943	3.3
119.08578	33.6
121.10165	23.7
123.11708	30.9
125.09560	3.4
128.06213	6.6
129.07034	13.7
130.07822	3.0
131.08571	29.6
133.06490	4.3
133.10139	26.5
135.04408	2.7
135.08064	4.0
135.11693	15.4
137.13251	54.0
139.07571	2.6
142.07790	10.1
143.08566	25.7
144.09309	3.0
145.06631	2.5
145.10107	27.7
147.08034	3.8
147.11687	19.7
149.05994	4.0
149.09641	4.8
149.13275	9.6
151.07553	5.3
151.11121	2.6
154.07690	3.2
155.08549	15.7
157.10106	34.1
159.11688	44.5
161.09578	6.0
161.13254	8.6
163.11205	2.6
163.14789	3.6
167.08577	7.5
168.09343	5.3
169.10115	14.8
171.08070	3.5
171.11693	11.9
173.09543	5.7
173.13243	13.6
175.11174	24.4
175.14861	5.8
177.12729	9.9
178.07912	3.3
179.08542	6.0
179.10728	3.1
181.10107	10.4
182.10829	3.1
182.25459	2.6
183.11681	22.9
185.13235	11.5
187.11285	5.9
187.14758	4.4
193.10152	4.5
194.10854	3.9
195.11697	11.9
196.12492	3.2
197.13255	12.3
199.11154	3.7
199.14854	6.2
200.16431	2.4
201.12811	6.7
201.16307	4.5
203.14243	2.6
207.11679	7.4
208.12715	2.9
209.13223	17.9
211.10995	3.3
211.14798	10.3
213.12704	5.4
217.12231	3.3
219.11766	3.4
221.13249	3.9
221.75412	2.4
223.14876	10.2
225.16464	3.2
227.14214	4.1
227.17995	4.0
229.12218	9.4
229.19574	7.1
233.13226	2.8
235.14813	4.3
237.16327	4.0
239.17964	2.9
241.19591	2.7
249.16449	6.2
251.18080	11.8
253.19748	3.9
257.18951	7.7
259.20193	2.8
263.18048	4.3
265.19492	6.9
267.17368	3.7
269.15668	3.0
269.18988	10.4
275.20221	4.3
277.19180	3.0
279.20926	6.2
281.15436	2.2
281.19046	7.5
281.22043	3.7
283.20529	3.1
291.21039	3.6
291.37155	2.3
293.22559	3.2
297.18570	6.8
297.21982	3.7
309.18738	3.7
309.22232	4.9
315.19485	3.7
337.21503	3.8
360.28751	2.5
387.30273	6.7
405.31638	16.7
407.32858	2.9
423.32654	4.0
433.30930	21.8
437.34076	2.9
451.32098	16.2
469.32571	3.5
511.34528	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01565	2.6
53.03940	13.9
55.01865	16.8
55.05507	36.0
57.03437	23.9
61.02929	15.7
67.05168	5.5
67.05505	72.7
69.03431	49.3
69.07069	35.4
70.36599	5.6
70.37017	8.6
71.01338	4.2
71.04989	14.5
73.02908	10.3
75.60615	3.1
79.05489	54.7
81.03416	68.2
81.07058	100.0
82.53173	3.2
83.04980	21.9
83.08622	15.0
85.02905	41.1
85.06527	4.6
91.03944	5.1
91.05477	63.2
93.07038	65.3
95.04961	19.9
95.08601	43.2
97.02889	33.5
97.06535	24.2
97.10187	6.7
98.21477	3.8
99.04446	15.2
99.08084	5.6
101.02380	4.1
103.03918	3.9
105.07039	61.3
107.04952	13.4
107.08604	38.6
108.84821	2.9
109.02854	14.7
109.06519	11.6
109.10165	18.6
111.04432	6.4
111.08066	5.1
117.07010	20.6
119.08586	48.8
121.06523	9.2
121.10112	24.0
121.10808	2.6
123.04444	4.6
123.08074	8.4
123.11712	7.5
125.09620	8.5
127.03918	16.7
129.05530	5.9
129.06998	10.3
131.08568	32.2
133.10143	32.5
135.08023	8.8
135.11693	13.0
137.09619	4.0
141.07047	4.7
142.07799	3.9
143.08563	13.6
145.10130	26.1
147.08080	5.7
147.11707	22.2
149.09604	17.2
149.13300	12.5
154.07738	3.2
155.08565	5.9
157.10162	13.1
159.08023	5.6
159.11679	24.4
160.11540	3.5
161.09671	4.2
161.13287	10.4
163.11206	8.3
165.12746	5.6
169.10121	5.2
171.11720	9.1
173.04482	10.7
173.09595	3.5
173.13251	8.2
175.11208	6.9
176.72339	3.0
177.12764	8.1
179.14380	4.0
183.06651	3.3
183.11720	5.5
187.11154	3.6
189.11194	4.0
193.12245	5.0
195.13821	9.6
197.13191	4.1
199.14864	3.5
211.13307	3.7
217.15868	3.5
239.18028	9.0
247.20700	3.6
257.18994	13.8
269.17575	10.4
275.20068	61.1
293.21039	4.1
331.22513	6.4
349.23734	48.3
391.24829	3.9
393.46808	4.1
413.21771	9.2
475.26602	3.8
493.27591	11.7
511.29062	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
53.16863	2.1
53.96384	2.0
55.01876	15.0
55.05508	16.4
57.03430	9.9
61.02634	2.8
61.02921	29.9
62.57530	1.9
65.03932	4.2
67.05503	36.8
69.03423	19.9
69.07068	28.4
71.00363	1.8
71.01353	2.3
71.04984	7.7
71.65047	4.6
73.02908	13.8
73.26154	1.9
79.05489	31.6
81.03413	27.5
81.07056	52.3
83.04980	13.5
83.08609	7.9
85.02895	30.0
87.04443	2.3
91.03951	18.9
91.05476	45.7
93.07047	36.7
95.01316	7.5
95.04950	16.2
95.08597	30.5
97.02887	20.8
97.06517	32.3
97.10186	3.9
99.04449	7.1
99.08066	3.2
101.02378	5.9
103.05415	2.3
105.07025	76.7
107.04945	17.1
107.08588	21.0
109.02866	8.9
109.06496	5.4
109.10124	11.3
111.04432	3.4
111.08112	4.3
117.07024	14.3
119.08581	36.1
120.14529	2.2
121.06497	3.3
121.10149	8.4
123.04420	2.0
123.08092	4.2
123.11704	3.0
125.09612	2.8
127.03919	9.4
128.06227	2.7
129.07011	5.5
131.08563	24.3
133.10127	44.0
135.08072	6.2
135.11674	8.7
137.09621	3.8
143.08577	2.9
145.04965	5.9
145.06487	3.0
145.10144	21.9
147.11673	15.3
149.09621	7.2
149.13232	5.1
151.11174	2.3
155.08514	2.1
157.10068	6.4
159.11729	13.2
161.09764	2.1
161.13287	5.1
163.03848	2.0
163.11230	3.3
171.11708	3.2
173.13234	6.2
175.11205	2.9
177.12752	7.7
179.14317	16.8
183.11745	3.9
185.13263	2.5
187.11192	5.1
195.13805	2.5
197.13196	2.9
205.12215	3.3
211.13158	3.1
239.17870	4.4
247.20636	2.6
257.18967	7.8
275.20068	100.0
293.21085	2.6
302.73419	2.3
349.23694	32.0
377.23114	2.6
391.24988	3.8
491.49200	2.3
491.86996	2.5
511.28778	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	510.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.5
57.03411	12.0
57.07072	83.5
63.27430	7.7
64.62607	7.1
67.05506	43.4
69.03407	8.5
69.07056	27.3
70.54830	7.8
71.08628	72.9
71.56688	8.2
71.64201	11.9
79.05537	8.2
80.05869	7.8
81.03407	14.2
81.07061	53.0
83.08616	30.7
83.09072	8.7
84.83588	7.6
85.02907	28.2
85.10171	50.5
91.05489	18.7
93.07042	8.3
95.08598	62.0
97.10143	10.3
109.02905	13.4
109.10141	31.0
123.11672	11.8
127.03918	20.0
133.10147	13.0
137.13219	8.9
145.04971	18.0
176.53598	8.1
188.42970	7.8
239.23685	86.5
312.75281	8.5
313.27423	100.0
331.28079	16.2
383.28061	46.1
401.29031	71.9
424.99432	8.6
510.36560	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.7
68.33927	0.6
71.65218	0.7
79.05484	2.2
90.76151	0.5
91.05473	1.7
95.04981	0.8
96.08118	0.6
103.05460	3.0
105.07030	7.6
107.04943	5.5
109.07583	0.6
115.05443	1.8
117.07030	1.6
119.03524	1.4
119.04955	1.4
121.06478	0.8
128.06213	0.9
131.04939	1.8
132.05623	0.7
133.06506	5.6
135.04431	0.7
135.08020	1.6
136.06178	100.0
137.04578	1.4
137.05885	3.0
143.04820	0.6
143.08499	1.1
145.06477	1.3
146.07240	0.8
147.04393	0.7
147.07936	0.5
149.06110	0.5
150.06752	2.2
151.07570	1.4
160.08830	0.5
161.05988	1.3
161.09570	1.2
162.06752	1.7
163.03900	0.6
163.07550	4.3
165.09120	5.4
167.07066	1.6
170.07249	0.6
171.08067	1.1
175.07529	16.1
175.11104	2.7
177.09097	0.9
178.06271	1.2
179.07024	1.4
181.08588	2.1
182.18686	0.5
188.08365	0.6
193.08597	33.6
194.09357	12.2
195.10115	1.6
203.10655	13.1
211.09615	1.2
221.11707	16.8
357.17126	0.8
375.17920	5.2
380.40536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	5.7
55.05517	14.1
57.03441	2.2
57.07080	56.3
60.41163	1.5
67.05505	77.9
69.03419	4.3
69.07069	22.4
69.15637	1.6
71.04996	8.3
71.08632	35.5
75.26579	1.5
75.30415	1.5
79.05495	18.6
81.06577	3.8
81.07059	70.2
83.04990	8.9
83.08620	16.0
85.06550	7.9
85.10188	15.4
86.09738	2.3
89.06019	3.8
91.05482	37.9
91.06010	3.7
93.07040	20.0
94.96172	1.6
95.04974	5.4
95.08607	36.6
95.09168	3.4
97.06583	2.2
97.10177	7.6
98.21531	3.5
99.04453	5.0
99.08064	3.5
99.11675	2.4
105.07034	46.6
107.04967	1.9
107.08603	36.3
109.06533	7.7
109.10157	93.1
111.11767	1.8
113.06023	3.6
117.07055	3.2
119.08577	4.6
121.10126	2.3
123.11711	18.5
125.09671	1.9
127.07572	4.0
131.08549	8.1
133.10136	96.3
135.11752	2.8
137.13271	2.1
143.08600	2.1
145.10110	3.6
151.09967	3.2
151.11186	63.9
156.89482	1.7
159.11729	4.1
161.09616	2.6
165.07076	2.1
169.12245	16.3
215.12845	6.7
239.23746	7.6
253.14354	68.3
303.20374	1.7
509.38425	100.0
510.38806	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	509.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	27.7
57.07061	14.0
62.79628	6.5
67.05496	46.8
69.03399	10.0
69.07057	14.6
70.90556	15.3
76.16892	6.2
79.05483	32.9
81.03405	8.5
81.07051	89.7
83.04974	7.4
83.08603	17.6
85.06568	15.9
91.05463	42.1
93.07034	74.3
95.04968	8.6
95.08596	73.5
97.06416	5.6
97.10141	7.7
103.05479	8.2
105.07021	100.0
107.04966	9.8
107.05653	7.7
107.08581	83.9
109.06477	6.6
109.10148	37.9
115.05515	8.5
117.06979	17.2
119.08572	78.4
121.06530	9.6
121.10137	57.7
123.11710	14.8
128.06200	9.0
129.06999	19.7
131.08553	48.8
133.10118	56.4
135.04411	8.7
135.07965	10.1
135.11639	23.6
136.63966	6.1
138.59769	6.6
141.06937	11.5
142.07761	19.3
143.08534	47.6
145.10120	54.0
147.08054	6.3
147.11668	42.8
149.13258	44.0
155.08560	26.5
157.10120	52.8
159.08046	12.1
159.11671	67.5
161.09608	10.9
161.13264	24.4
168.09354	17.1
169.10092	20.9
171.11700	25.3
173.09579	8.5
173.13231	22.1
175.11151	23.2
175.14772	8.7
177.09088	8.7
177.12785	12.5
181.10068	17.0
183.11644	38.6
185.13268	20.6
187.11180	33.6
187.14883	17.5
189.16371	8.7
191.10681	6.8
192.07695	6.5
193.10173	12.9
195.11641	19.4
197.13239	21.9
199.14755	14.6
201.12712	19.1
201.16364	19.5
203.17912	56.1
203.89755	6.5
207.11696	14.8
209.13252	21.7
211.14850	14.5
213.16286	8.5
215.17850	8.4
219.11830	8.4
221.13269	11.7
223.14742	15.1
225.16380	14.7
227.17854	19.3
229.12311	31.8
229.19437	7.6
235.14742	11.7
237.16306	14.9
239.17859	9.3
241.19420	9.3
247.13356	20.7
249.16423	7.5
253.19383	8.8
255.17421	14.4
257.19189	12.2
263.17957	12.8
265.14499	6.7
265.19614	7.5
267.20984	14.5
273.18436	11.9
277.19495	9.2
279.20996	6.8
295.20395	8.7
307.15302	6.7
341.05420	6.6
345.25620	8.1
385.28809	19.0
387.30511	11.8
403.30014	52.1
405.31396	9.9
407.29242	12.8
421.31284	13.4
431.29443	34.0
449.30438	48.1
467.31140	11.8
509.32971	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	509.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36080	4.8
53.03946	6.2
55.05508	27.2
57.07051	15.7
60.53137	5.3
67.05512	42.2
69.07062	22.4
70.55863	5.9
70.56231	22.6
71.08636	9.0
79.05485	35.6
81.07054	75.6
83.08619	14.3
85.06553	27.8
85.10187	7.9
89.06034	10.5
91.05485	43.6
93.07039	78.2
95.04975	13.4
95.08584	52.3
97.06515	8.9
97.10191	8.5
98.20777	7.4
105.07026	100.0
107.08591	53.3
108.96594	5.0
109.10175	37.0
117.07025	22.3
119.04909	7.2
119.08572	80.2
121.06501	5.8
121.10133	50.6
123.08189	5.7
123.11697	19.7
125.09676	5.9
128.06206	7.9
129.07013	15.9
131.08571	49.0
133.08611	6.9
133.10149	57.4
135.11668	29.7
141.06973	9.3
142.07800	22.3
143.08553	30.2
145.10114	47.8
147.11703	26.7
149.13307	12.9
151.11156	6.7
155.08594	16.5
156.09373	12.5
157.10130	62.7
159.08011	9.5
159.11693	78.3
161.09691	6.3
161.13248	16.1
167.08592	8.2
168.09315	7.5
169.10153	22.3
171.11736	27.9
173.13326	16.5
175.11165	33.8
175.14835	5.7
177.12738	12.3
179.08456	9.0
181.10117	7.1
183.11690	29.6
185.13289	17.3
187.11134	26.9
193.10197	10.3
195.11711	13.9
197.13293	11.7
199.14813	10.4
201.12782	12.9
201.16557	7.1
203.10620	7.1
203.17969	12.1
207.11716	9.8
209.13257	21.0
211.14845	13.3
221.13220	8.0
223.14856	13.9
225.16478	14.7
227.17865	29.4
229.12190	27.4
229.19502	8.5
235.14847	8.2
237.16391	15.5
241.15787	7.2
249.16486	9.0
251.17915	6.7
255.17480	10.0
257.19052	11.6
261.16434	6.2
267.17612	10.8
271.16946	5.9
273.18491	21.3
279.17459	7.9
295.16794	6.6
305.22888	6.1
385.28763	7.1
389.28976	7.5
403.29919	26.5
413.27979	6.3
421.30786	6.6
431.29306	28.2
449.30219	13.5
509.32275	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	509.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47142	6.1
53.03942	6.4
55.05524	24.1
57.07075	8.0
67.05506	48.6
67.96796	4.7
69.07068	48.0
70.00081	31.4
72.08141	9.4
79.05495	32.4
80.74471	4.5
81.07061	100.0
83.08618	17.2
85.06542	14.0
91.05474	47.1
93.07047	83.5
95.05008	10.1
95.08610	52.6
97.06557	6.0
97.10176	10.5
98.21414	6.4
105.07030	67.6
107.08602	69.3
109.06518	11.0
109.10167	62.6
111.08089	5.8
111.11763	5.1
117.07026	30.6
119.08585	55.5
121.06529	7.9
121.10133	53.9
123.11720	21.9
127.04063	4.6
127.05057	5.8
128.06229	8.5
129.07021	20.5
130.07788	7.1
131.08563	41.4
133.10129	40.8
135.11694	48.0
137.09639	5.7
137.13258	6.7
141.06975	11.5
142.07811	18.7
143.08568	34.4
145.06450	5.8
145.10110	44.8
147.07994	6.8
147.11655	26.5
149.09680	6.4
149.13263	12.8
153.06960	9.5
155.08565	24.6
157.10129	46.1
158.10954	6.9
159.11673	51.4
161.09662	6.9
161.13284	12.7
163.11290	6.1
165.07037	5.9
167.08554	8.5
169.10167	21.8
170.05823	13.1
171.11679	27.7
173.09644	9.5
173.13283	20.9
175.11232	20.3
175.14729	7.4
177.12668	5.4
179.08644	5.5
180.09279	6.0
181.10109	20.5
183.11734	24.2
185.13246	26.3
187.14832	9.0
189.16371	6.7
191.10690	9.0
193.10136	13.1
194.10977	6.5
195.11754	33.6
197.13266	20.0
199.14859	14.3
201.16447	11.5
203.10645	5.1
206.10884	6.9
207.11734	16.8
208.12485	5.6
209.13231	30.5
211.11302	9.5
211.14853	18.7
217.12314	7.6
221.13341	12.7
223.14839	13.7
225.12871	6.4
225.16324	6.4
227.17955	11.6
229.12288	7.1
233.13226	8.7
235.14806	10.9
237.16322	11.1
239.17990	5.8
247.14848	11.1
249.16461	11.0
251.17975	11.9
261.16357	10.4
263.17999	16.5
265.19504	11.9
269.70129	5.3
273.18677	10.8
277.19464	8.4
279.17603	7.1
279.21164	6.0
281.18961	7.5
283.20547	6.3
289.19461	7.4
303.21097	6.9
317.22418	6.7
321.22122	6.7
340.29431	15.3
347.27359	5.3
387.30621	5.6
403.30255	23.4
403.34888	5.3
405.31717	9.8
407.29105	5.2
421.31055	10.6
431.29501	18.6
449.30582	15.4
509.18127	22.3
509.32645	16.1
510.18274	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	508.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01854	3.0
55.05491	1.9
67.05486	6.4
69.03426	2.9
69.07068	2.3
69.65543	12.0
71.04973	6.2
74.47015	1.7
74.53598	1.8
79.05496	9.6
81.07041	10.4
83.04976	1.7
85.02863	2.1
85.06538	2.8
91.05470	8.9
93.07043	34.5
93.80333	1.7
95.04961	2.5
95.08611	3.0
97.06517	7.3
99.04446	13.5
103.05444	2.1
105.07024	52.1
107.04925	3.7
107.08588	25.5
109.06504	2.6
109.10216	2.1
117.07006	5.1
119.08578	16.5
121.05653	2.8
121.06498	42.0
121.10130	33.8
129.59137	1.9
130.07809	2.3
131.08594	4.4
133.05009	2.0
135.08047	25.4
135.11691	12.3
137.05968	2.7
145.10112	58.0
147.11670	10.3
149.06012	3.6
149.09602	24.1
149.13327	1.9
163.11172	92.0
167.98297	1.5
171.06563	2.2
173.09622	9.0
177.66548	1.6
181.12210	16.7
183.06557	2.9
191.10666	100.0
193.08585	3.2
209.08156	1.7
209.11705	33.7
213.07567	8.9
227.12770	65.4
267.10281	2.3
277.14282	2.3
295.15436	6.4
305.13815	26.0
323.14859	40.0
341.15964	17.6
455.18921	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	508.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43030	1.0
53.02478	0.9
53.03935	2.8
55.01879	2.5
55.05500	4.0
61.02917	1.0
61.20123	1.0
67.05499	5.5
69.03410	4.7
69.07041	2.8
71.04989	6.0
71.64384	1.9
77.16415	1.1
79.05497	8.6
81.07055	7.6
82.07386	1.6
83.04986	1.9
85.02853	1.9
85.06520	3.6
86.09702	1.2
87.04494	1.6
91.05479	8.9
93.07040	28.1
95.04966	3.3
95.08586	3.9
96.09059	1.1
97.06547	7.3
99.04451	9.9
99.08085	1.3
101.05994	2.1
105.07030	39.1
107.04952	1.4
107.08588	25.5
109.06504	3.2
109.10125	2.7
111.08104	1.4
117.07018	5.7
119.08575	16.0
121.06502	40.4
121.09314	2.3
121.10137	33.4
123.08098	2.0
123.11665	1.9
127.29207	1.4
130.07744	1.9
131.08557	4.6
133.04939	1.7
135.04477	1.6
135.07098	2.1
135.08057	24.9
135.11691	11.3
136.06158	1.5
139.20685	1.3
143.08588	1.7
144.89136	1.1
145.10115	46.4
147.11703	10.6
149.05934	2.2
149.09601	23.7
149.10738	1.9
149.13232	1.5
161.09613	1.2
163.11168	90.1
169.04956	1.4
169.22914	1.0
171.06499	2.4
171.13747	1.4
173.09618	10.7
181.12219	16.8
183.06532	3.1
191.10661	100.0
193.08589	1.1
209.11714	30.4
213.07608	10.1
227.12772	66.1
267.10165	3.4
277.14395	2.1
295.15417	8.4
305.13834	27.6
323.14886	42.3
341.15909	14.4
455.19131	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	508.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01856	1.3
55.05510	4.1
57.42062	1.0
63.75212	0.9
64.29326	1.0
67.05490	4.2
69.03413	4.3
69.07051	3.2
71.04983	5.5
71.18143	2.5
79.05486	7.9
81.03384	1.1
81.07064	7.0
83.04990	1.7
85.02893	2.0
85.06535	2.7
90.60554	0.9
91.05468	7.9
93.07039	26.5
95.04948	2.4
95.08586	3.3
97.02873	1.2
97.06532	5.3
99.04448	11.8
101.05981	1.4
105.07030	41.7
107.04919	1.6
107.08590	24.9
109.06522	3.4
109.10140	1.4
111.08042	1.5
115.05472	1.1
117.07036	4.9
119.08569	18.0
121.06503	35.3
121.10142	34.0
121.11038	1.6
123.08065	1.9
123.11683	1.6
127.07579	1.1
130.07800	3.5
131.08557	3.6
133.04984	1.1
133.06500	1.5
135.08058	24.6
135.11685	9.2
136.06175	2.6
137.05948	1.3
143.08560	1.5
144.42627	0.9
144.85277	1.0
145.10118	50.1
147.11684	13.7
149.05949	3.0
149.09613	24.6
163.11176	88.2
168.03825	1.1
171.06506	2.2
173.09616	8.9
177.05542	1.5
181.12222	17.3
183.06522	3.2
191.10667	100.0
209.11713	34.0
213.07567	7.0
227.12776	61.4
229.50871	1.0
267.10217	1.7
277.14417	2.4
295.15384	7.3
299.12622	1.0
305.13821	24.4
313.16293	1.2
323.14890	41.0
341.15924	12.1
359.17062	1.1
407.05173	1.1
455.19144	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	507.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.05508	16.9
57.07071	36.2
62.50251	2.3
65.03935	3.9
67.05168	2.8
67.05502	46.6
69.07062	21.9
69.52024	20.9
71.04996	3.9
71.08627	25.3
79.05482	22.7
81.03402	5.8
81.07049	61.1
82.07401	2.5
83.04974	4.9
83.08611	20.8
85.06532	4.1
85.10175	12.8
91.05470	13.1
93.07044	28.7
95.04977	5.6
95.08603	32.5
97.06524	5.8
97.10154	6.2
105.07020	7.6
107.08578	18.4
109.06524	2.4
109.10172	13.0
111.08083	3.8
113.28597	1.9
117.07018	5.7
121.10148	6.8
123.11680	4.7
131.08582	5.1
133.10133	9.0
135.11688	7.2
137.13283	3.3
149.13225	18.6
159.11713	8.1
177.12761	4.8
195.13812	12.7
236.15140	2.3
239.23688	7.0
507.40387	100.0
508.40494	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.4
55.55410	4.2
60.02545	4.7
62.39808	4.2
63.31189	4.5
64.98829	4.0
67.05500	23.1
69.03427	5.6
69.07071	23.8
70.65624	10.8
71.05004	5.0
74.87117	4.1
79.05493	13.2
81.06588	6.5
81.07058	100.0
83.08617	10.3
85.02905	29.8
85.06558	26.6
86.09656	4.7
91.05478	10.2
93.07046	28.9
95.04939	7.7
95.08597	88.1
97.02842	7.4
97.06512	6.6
97.10170	8.9
99.08092	18.6
105.07027	9.3
107.08593	33.7
109.10157	53.2
111.08039	5.1
111.11741	5.6
113.09641	6.2
119.08569	8.7
121.10142	19.4
123.11711	38.4
125.09620	5.1
127.11184	6.7
133.10147	6.9
135.11719	22.8
137.06027	11.1
137.13226	14.5
138.06245	6.8
149.13281	46.8
163.03929	6.6
163.14824	21.7
175.14679	5.3
177.16409	20.8
189.16429	8.0
191.18002	7.2
197.19098	5.9
203.18088	5.6
217.19450	10.3
273.25711	21.3
291.26843	51.8
309.28021	22.2
313.96613	4.7
321.04694	4.6
369.86578	4.8
403.56912	5.6
418.26245	5.2
504.40930	5.3
532.76697	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	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01877	2.3
55.05510	27.1
57.03431	5.6
57.07066	6.0
59.04992	2.3
65.03925	2.9
67.05499	100.0
69.03421	3.7
69.07063	23.6
71.04975	3.9
71.08642	2.4
79.05487	34.7
81.03395	1.7
81.07052	66.7
83.08626	15.8
85.06544	4.5
88.15437	1.5
91.05472	25.2
93.07032	46.2
95.04965	5.6
95.08604	47.0
97.06500	2.7
97.10157	16.8
99.08101	4.1
105.07030	26.0
107.08585	34.4
109.06497	4.3
109.10147	61.6
111.08062	4.5
117.07014	12.1
119.08568	30.5
121.06560	2.1
121.10131	21.9
123.08039	1.6
123.11676	9.3
125.09616	13.5
125.95692	1.4
128.06206	1.8
129.07027	6.0
130.07733	2.1
131.08556	21.7
133.10120	19.9
135.07939	1.7
135.11665	10.8
137.09589	3.4
137.13208	1.9
139.11189	2.3
142.07756	4.2
143.08568	9.6
145.10109	22.5
147.11673	13.3
149.09564	2.5
149.13245	7.9
155.08548	5.6
157.10062	9.9
159.11678	20.3
161.13254	6.3
163.14740	3.9
169.10152	4.6
171.11676	7.8
173.11742	11.3
173.13268	10.6
175.11142	2.4
175.14656	2.7
177.16414	2.0
181.10139	2.6
183.11703	6.9
185.13348	6.6
187.14862	4.6
189.09189	1.7
189.11179	9.3
192.09251	1.9
193.10262	1.9
195.11679	1.7
197.13214	2.9
199.14803	9.7
200.15393	2.9
201.12744	3.0
201.16370	13.4
209.13228	2.0
211.14969	2.3
213.16411	4.6
215.14258	2.5
215.18053	1.8
227.12744	12.3
229.12195	3.9
229.14293	30.8
235.16769	2.1
243.21107	4.9
259.20508	4.7
261.22101	20.3
263.23779	2.8
317.24786	2.2
335.25809	18.5
379.29825	2.0
397.30969	11.0
411.27054	1.8
415.32047	4.4
429.28156	3.0
433.32993	8.6
447.28934	8.8
471.34634	4.4
489.28989	1.9
489.35782	38.5
490.35614	2.4
507.30652	4.6
507.36743	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	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.05302	1.7
55.05513	18.3
57.03428	2.9
57.07073	11.1
59.04989	2.2
67.05502	22.0
69.03421	5.8
69.07068	41.2
70.08613	2.7
70.09026	5.8
71.04992	3.9
71.08615	2.6
73.02911	1.6
73.56168	1.5
79.05483	16.0
81.07056	100.0
83.04985	2.6
83.08610	12.2
85.02915	9.8
85.06544	49.1
91.05482	6.7
93.07044	27.4
95.04958	3.3
95.08609	50.8
95.52715	1.8
97.06522	5.9
97.10194	10.1
99.08091	56.1
99.12222	1.5
104.05289	1.5
105.07035	14.6
107.08591	32.8
109.06501	2.6
109.10152	35.0
111.08066	5.4
111.11738	8.7
113.09644	5.0
117.07037	1.6
119.08575	14.7
121.10131	20.6
123.11706	23.8
125.09618	7.0
127.03949	3.2
127.11193	3.5
131.08556	4.7
133.10130	9.3
135.11694	15.1
137.06018	1.8
137.13234	10.6
139.11191	6.0
145.10133	8.2
147.11678	13.1
149.13239	20.0
151.11104	2.3
151.14778	3.0
153.05479	4.0
157.10098	3.4
159.11694	7.0
161.13242	9.5
163.03871	2.5
163.14807	14.7
165.12724	3.1
167.14319	4.6
173.13260	3.4
175.14838	3.1
177.16353	6.1
181.15875	2.9
184.07387	1.8
185.05783	1.8
185.13249	7.0
187.14813	6.0
191.14288	3.9
191.17909	2.1
217.19528	1.8
229.12260	2.3
261.25665	2.5
267.21011	2.2
273.25858	2.6
279.26837	14.0
285.22055	3.9
291.23392	3.1
291.26825	15.1
297.27820	13.5
303.23135	10.1
309.27841	24.7
321.24298	3.8
345.30219	2.1
422.02277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30477	1.5
53.03948	3.5
55.01867	3.0
55.05508	21.9
57.03432	4.3
57.07079	13.0
59.04986	2.0
65.03941	3.4
67.05506	30.7
69.03419	6.9
69.06709	3.2
69.07066	41.7
70.06578	2.2
70.72030	1.6
71.04978	5.3
71.08608	1.8
71.64983	1.7
74.60801	1.8
79.05491	21.5
81.03452	1.8
81.07055	100.0
82.24138	1.8
82.37772	1.5
83.04977	2.8
83.08611	16.4
85.02909	6.8
85.06540	56.3
85.10193	1.7
91.05491	12.6
93.07038	44.9
95.04955	3.8
95.08601	71.5
97.02875	2.7
97.06541	8.1
97.10155	13.7
99.08088	61.8
105.07026	28.1
107.04965	1.8
107.08585	39.5
109.06532	3.7
109.10153	41.5
111.08073	5.3
111.11710	5.8
113.09617	5.5
117.07025	2.6
119.08573	23.0
121.06494	1.8
121.10147	25.9
123.08025	2.9
123.11686	23.8
125.09602	10.8
125.13161	1.9
127.03899	2.3
127.11224	3.0
128.06186	1.9
129.07045	2.3
131.08598	10.5
133.10117	13.0
135.11693	19.6
137.06007	5.5
137.09621	3.8
137.13292	10.9
139.11172	8.7
141.07062	2.1
143.08600	3.7
143.10687	1.7
145.10110	13.7
145.82008	1.8
147.11697	20.5
149.09595	3.6
149.13260	21.7
151.07532	2.5
151.11183	3.8
151.14822	2.7
153.05475	3.7
153.12772	2.6
157.10135	5.7
159.11714	12.9
161.13245	9.6
163.03944	2.6
163.11208	4.2
163.14790	14.1
165.12759	2.9
165.16522	2.2
165.77126	1.7
167.14343	4.6
167.60858	1.8
173.13243	5.5
175.14815	6.8
175.91306	1.8
177.12708	3.4
177.16426	5.0
181.15865	3.8
183.11667	2.7
185.13254	6.8
187.14838	12.9
191.14351	5.1
191.17986	4.0
193.15877	1.9
201.16353	3.4
205.15849	3.0
209.15344	3.9
213.52263	1.9
217.19485	2.4
223.16875	2.1
229.12369	2.5
257.22598	2.0
261.25870	3.9
267.21152	2.5
273.21909	3.2
273.25665	2.2
275.23813	2.1
279.26822	10.3
285.22028	8.8
286.64694	1.6
291.23450	4.0
291.26825	15.1
297.27988	11.9
303.23083	11.2
309.27856	25.2
315.29099	2.1
321.24353	6.1
345.30255	2.5
356.76633	1.8
420.28571	1.9
423.27316	1.7
435.27548	2.1
438.09439	1.8
453.28720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.05502	11.2
57.07071	5.7
63.76759	2.4
67.05502	26.5
69.07052	13.3
69.53606	2.6
71.04971	3.0
71.64282	2.4
71.64730	3.6
72.08163	4.5
75.04457	2.9
79.05489	18.6
81.03399	4.0
81.07054	41.0
83.08617	6.7
85.06535	8.4
88.96012	2.6
91.05470	28.1
93.07038	36.3
95.04961	7.5
95.08596	28.6
97.06554	4.4
105.07031	55.7
107.08592	45.2
108.89014	2.7
109.06513	6.9
109.10161	19.6
115.05428	4.3
117.07024	15.3
119.08578	38.8
121.06536	3.1
121.10123	21.5
123.11707	4.0
128.06198	12.9
129.06984	14.1
130.07753	8.1
131.08569	34.9
133.10115	26.9
135.11671	7.2
141.06964	9.8
141.52612	2.7
142.07765	17.9
143.08557	47.6
144.09335	10.6
145.06462	2.9
145.10118	88.4
147.04491	2.6
147.11659	10.5
149.13257	3.8
153.07045	4.0
154.07733	3.4
155.08575	20.9
156.09344	8.2
157.10126	59.7
158.10788	2.8
159.08037	6.0
159.11687	59.5
161.13287	8.8
165.06984	4.4
166.07739	3.7
167.08553	7.3
168.09358	11.2
169.10091	21.2
171.08005	3.4
171.11655	24.5
173.09697	5.2
173.13289	17.3
175.11220	8.4
179.08601	6.0
180.09325	2.8
181.10123	15.3
182.10986	2.4
183.11699	38.6
184.12332	2.7
185.09581	3.0
185.13251	18.3
187.07553	32.3
187.11140	15.9
187.14862	4.1
189.09138	5.9
193.08588	3.4
193.10153	7.4
193.12086	2.8
194.08989	4.7
194.10880	3.5
195.11702	14.9
197.09697	3.4
197.13165	11.9
199.11194	6.6
199.14838	28.2
200.15613	4.0
201.12733	11.7
201.16376	100.0
203.10655	2.4
204.09236	3.1
205.10043	3.0
206.10864	3.7
207.11716	8.1
207.13754	2.4
209.13226	7.6
211.11171	11.2
211.14807	8.5
211.97427	2.6
213.12724	4.9
213.16376	24.8
215.10641	9.8
215.14305	3.2
218.10849	3.1
219.11789	4.1
221.13268	9.3
221.15312	3.5
223.14822	5.9
225.16338	3.4
227.10709	27.6
229.10078	5.0
229.12227	55.6
231.11678	5.3
231.13774	5.7
233.13257	3.1
235.14818	6.3
237.16220	4.7
239.17879	3.4
245.13464	3.3
247.14957	4.1
249.16295	3.3
251.17934	3.5
253.15817	4.5
259.14877	3.8
261.16306	5.8
271.17065	3.6
273.16315	4.7
275.17737	3.1
277.15997	2.5
285.16309	3.7
287.17874	4.2
301.19418	3.5
303.21164	4.2
307.16788	2.8
319.24173	5.7
327.01038	2.6
343.24109	12.1
345.25613	3.4
361.25256	4.6
377.28723	3.3
383.27240	9.5
385.28830	9.3
389.24594	7.2
391.26190	6.2
401.28329	21.2
405.27911	4.4
411.26816	7.0
419.29471	7.3
429.27856	54.1
447.28970	30.6
461.30640	3.4
489.29904	12.4
489.36108	3.1
507.30740	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34114	2.3
52.06126	2.6
53.03941	7.8
55.05507	20.5
57.03428	2.6
57.07067	3.7
58.39399	2.5
65.03905	2.4
67.05505	29.5
69.03393	3.0
69.07053	18.5
71.44849	5.7
72.08141	3.0
79.05491	41.4
81.07052	79.7
82.07390	2.9
83.08595	6.7
85.06544	17.9
91.05466	44.4
92.64912	2.8
93.07034	67.5
95.04980	12.8
95.08597	50.3
95.09156	4.1
97.06467	4.4
97.10163	4.3
103.05443	2.7
105.07023	100.0
107.08591	48.8
109.06526	6.1
109.10147	21.1
111.08134	3.5
115.05465	7.6
117.06987	16.7
119.04898	3.3
119.08574	75.7
121.06503	9.4
121.10132	52.7
123.08091	3.9
123.11706	12.5
125.09614	3.0
128.06236	11.8
129.06985	21.6
130.07808	3.0
131.08560	49.8
131.09505	3.4
132.14478	2.5
133.06493	3.1
133.10118	42.9
135.08051	3.7
135.11713	26.2
137.09587	4.5
141.06993	9.6
142.07770	34.1
143.08539	43.9
144.09366	4.7
145.06494	5.1
145.10112	55.8
147.08040	3.1
147.11691	23.1
149.09619	5.1
149.13261	5.4
153.07019	3.5
154.07770	5.2
155.08554	28.9
156.09337	9.4
157.10123	79.2
158.10834	4.3
159.08055	4.9
159.11678	74.0
161.09613	8.0
161.13249	9.1
163.11174	3.4
165.07018	7.5
167.08594	11.5
168.09399	8.8
169.10129	38.6
170.10974	3.3
171.08008	5.5
171.11681	30.1
172.12343	3.3
173.09615	8.2
173.13272	11.6
175.07504	3.5
175.11188	34.6
175.14778	3.1
177.09073	4.7
177.12735	12.0
178.07838	3.4
179.08583	12.0
180.09329	3.5
181.10114	16.6
182.10895	4.6
183.08096	3.7
183.11668	35.2
184.07385	3.0
185.09590	6.8
185.13231	24.5
187.07579	4.9
187.11159	12.7
187.14856	6.1
189.09094	4.1
189.12767	3.3
191.10603	5.6
192.09373	6.8
193.10141	12.6
194.10962	6.9
195.11696	19.0
196.12427	4.5
197.09567	6.7
197.13219	22.5
199.11137	8.7
199.14795	15.3
201.09067	3.9
201.12750	6.2
201.16307	15.5
203.10628	2.9
204.45970	2.8
205.09969	5.5
206.10815	5.1
207.11638	21.3
208.12418	4.7
209.13249	22.4
210.13983	3.4
211.11162	10.6
211.14819	14.1
213.09030	3.2
213.16418	6.5
215.10722	3.1
215.14244	2.8
217.10199	4.7
217.12169	4.8
217.15929	2.8
218.10963	3.9
219.11734	9.5
220.12506	7.2
220.45697	3.2
221.13235	16.9
222.13960	3.6
223.11234	5.0
223.14792	18.3
225.12715	3.9
225.16348	26.3
227.10606	4.0
227.17915	20.7
229.10229	4.3
229.12187	13.4
231.11760	7.8
232.12483	7.5
233.13248	10.4
235.14952	13.3
237.16327	10.8
238.13730	3.2
239.17929	7.4
241.19531	3.9
243.11826	3.6
243.17442	4.0
245.13298	6.0
246.13971	4.5
247.14818	11.5
248.15562	3.1
249.16354	10.2
251.14365	5.1
251.17917	7.8
253.15834	15.9
255.17459	10.5
257.13257	4.7
259.14914	5.8
261.16409	9.9
263.17859	7.3
265.16135	3.1
265.19568	6.3
269.15329	7.0
271.17059	30.5
273.16180	5.7
275.17947	9.9
277.16055	4.6
277.19406	5.3
279.17426	6.4
287.17950	8.5
289.19540	6.2
291.17365	3.0
291.21182	4.0
293.18958	3.9
299.17865	3.0
303.21063	4.1
307.20453	3.7
315.21127	4.6
327.21042	3.1
337.21793	2.9
338.27814	9.8
343.24100	7.9
345.21915	3.8
357.25781	3.1
383.27362	10.2
385.28705	8.1
401.28381	29.2
403.29971	10.6
419.29514	9.1
429.27881	21.6
447.28809	23.6
465.30038	4.9
507.24283	4.8
507.30978	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	507.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.05503	8.8
56.36837	4.0
67.05497	13.6
69.03436	3.7
69.07059	9.4
70.98553	8.4
70.98932	7.6
79.05498	31.6
81.06584	5.3
81.07053	60.3
82.59280	3.8
85.06531	7.4
88.19455	3.5
91.05476	50.2
93.07050	40.1
95.04949	27.5
95.08611	19.5
97.06513	12.2
105.07036	69.7
107.04965	4.2
107.08595	41.3
109.06514	29.8
109.10186	5.7
115.05420	10.4
116.06225	3.8
117.07018	24.5
119.08592	37.5
121.06484	11.1
121.10142	27.0
123.08035	7.1
123.11770	5.1
128.06209	11.4
129.07018	22.4
130.07764	7.0
131.08580	36.7
133.06505	7.4
133.10107	27.3
135.08047	17.2
135.11668	5.7
137.09541	4.3
141.06938	17.4
142.07774	16.4
143.08557	56.8
145.06465	11.5
145.10123	50.0
147.08075	7.3
147.11690	11.5
149.09583	12.9
153.06976	6.6
154.07794	5.6
155.08545	28.6
156.09346	8.5
157.10138	66.0
159.08060	20.0
159.11707	41.1
161.09656	19.4
161.13261	15.6
163.11159	18.2
165.06967	13.4
167.08551	11.4
168.09294	6.5
169.10155	19.5
170.10910	4.2
171.08022	12.2
171.11723	23.8
173.09581	27.3
173.13235	5.5
175.11189	45.6
180.09300	6.8
181.10107	9.8
182.10825	5.6
183.08159	4.5
183.11693	16.6
185.09630	8.3
185.13287	33.3
187.11133	9.3
187.14845	10.5
189.12706	6.4
193.10126	12.2
195.11725	34.1
197.13275	19.8
199.11195	5.7
201.12753	46.3
203.14339	22.1
205.10185	5.0
207.11685	9.6
209.13351	9.5
211.11180	10.5
211.14877	4.8
213.12752	53.9
215.14310	82.7
221.13322	5.3
223.11198	4.0
223.14900	4.3
225.12756	7.1
225.16376	6.1
227.14288	11.6
229.15852	11.1
231.13786	46.1
233.15549	4.7
235.14761	6.1
239.17987	4.4
243.13747	5.7
245.15407	13.4
251.14340	8.7
253.15913	18.3
255.17413	6.3
265.15900	5.7
272.76358	3.6
279.60626	3.6
285.18619	5.4
293.18970	6.3
294.08264	3.9
318.94238	3.7
371.23547	5.2
389.24728	7.6
401.28391	8.2
411.26761	15.9
418.62897	3.7
429.22748	4.0
429.27847	100.0
430.28024	4.6
447.28970	71.0
460.40842	3.7
466.97955	3.6
489.29861	14.8
507.31033	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	507.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.26987	1.4
55.01862	4.6
55.05499	4.7
57.03416	1.7
65.03928	4.1
66.73922	1.3
67.05500	11.2
69.03407	2.3
69.07065	4.1
70.06606	2.0
71.04984	2.6
71.44008	2.3
71.44335	1.7
79.05489	13.3
81.03416	10.2
81.07063	12.4
83.04977	3.0
83.08576	2.5
85.02898	3.6
85.06544	2.1
85.57644	1.5
90.24465	1.4
90.45457	1.3
91.05479	53.9
92.88760	1.4
93.07049	11.6
94.04186	3.4
95.04958	10.5
95.08606	7.1
97.02903	2.0
97.06534	7.5
97.10172	1.5
103.05441	3.9
105.07008	7.6
107.04964	4.2
107.08563	3.9
109.06537	4.5
109.10148	2.8
111.04446	4.0
111.08091	1.7
115.05449	2.4
117.07030	3.5
119.04942	33.5
119.08570	5.8
121.06509	3.4
121.10139	5.8
122.03626	5.4
123.04455	3.6
123.08051	1.4
123.11726	1.5
125.05985	2.3
125.09609	2.7
128.06238	3.7
129.07010	3.5
131.04900	2.4
131.08563	3.2
133.06483	2.2
133.10129	2.9
135.11691	3.3
136.05232	3.4
137.05975	99.9
143.04901	2.0
143.08566	1.7
144.35966	1.7
145.06470	3.6
145.10123	4.8
147.11693	2.4
149.05991	21.6
149.09637	3.2
149.13248	2.0
151.03941	2.7
151.07542	100.0
152.08009	1.4
157.06456	2.9
157.10078	2.0
160.05280	2.3
161.06004	2.9
163.03856	1.7
163.11165	4.8
165.05525	1.6
165.06999	2.4
165.09120	2.9
173.09521	2.7
175.07555	8.6
177.05484	2.7
177.88332	1.4
184.05191	5.4
185.06090	1.7
185.13205	2.0
187.07536	7.2
189.09084	3.5
191.10728	1.8
193.06882	1.5
193.08542	7.2
193.12224	2.4
199.07529	56.5
200.08009	2.3
201.09061	2.2
203.08675	2.4
205.08510	2.6
209.11658	4.4
211.07509	5.0
212.04698	1.7
213.09074	4.6
215.10654	1.5
217.08516	1.8
219.07938	1.9
220.08765	1.9
220.84090	1.5
221.05963	1.8
227.12819	4.0
229.08553	2.1
231.08003	6.6
232.08823	2.0
233.09590	1.9
234.06660	2.2
235.07422	2.0
241.08562	2.8
245.09569	2.2
247.07521	2.3
248.08350	7.7
249.09045	1.6
251.07042	1.6
253.08534	1.9
259.07333	2.5
259.09647	18.8
260.08353	2.9
261.09119	3.4
262.09891	2.6
263.07031	2.1
263.10709	5.2
265.08563	2.5
274.09726	1.4
275.10577	2.4
276.07828	5.5
277.08582	7.9
278.09283	3.1
279.09845	1.8
283.09738	2.2
285.11237	3.3
289.08621	4.1
290.09378	2.6
291.06873	1.8
291.10126	29.3
292.10629	2.8
295.09665	2.3
295.12909	1.5
297.11105	2.3
303.10092	7.6
305.08350	2.9
305.11734	9.2
306.09024	3.3
307.09625	5.3
307.12939	2.0
308.10355	3.8
309.11234	4.9
315.10031	4.0
318.17014	10.7
320.10474	4.7
321.11203	23.4
323.12766	29.4
333.11081	1.9
335.12769	25.3
337.14322	5.0
347.12695	4.8
351.12177	7.4
352.13129	3.0
353.13815	4.0
365.13840	4.7
381.43643	1.4
383.22235	3.0
403.11801	2.4
418.14206	15.2
419.14813	2.6
439.15201	2.2
458.51917	1.7
459.18076	14.1
471.17984	5.4
489.19348	9.0
507.19513	2.0
507.30228	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.4
55.05507	2.6
56.13438	0.8
57.03445	1.4
58.53009	0.8
61.02911	1.0
65.03931	3.6
66.22619	0.8
67.05498	5.8
68.19956	0.7
68.99756	0.9
69.03421	2.8
69.07063	3.3
69.55888	2.4
69.56316	4.2
70.06597	1.5
71.04990	1.5
73.02906	0.8
77.03925	0.8
79.05482	4.2
81.03414	4.8
81.07049	6.6
83.04999	1.2
83.08609	1.8
85.02901	7.5
85.06535	1.9
87.00845	2.0
91.05479	100.0
92.05823	1.3
93.07042	4.3
95.04987	2.2
95.08595	4.2
97.02892	5.4
97.06516	3.9
98.20757	1.5
99.04436	1.6
103.05530	0.8
105.01873	1.2
105.03380	1.0
105.07009	2.4
107.04950	1.9
107.08583	2.7
109.02883	2.5
109.10152	1.7
115.92119	0.7
117.01865	0.7
117.07021	1.7
119.08591	2.1
121.10145	2.9
123.04425	0.8
123.11736	1.6
123.87378	0.8
125.09603	1.0
127.03932	3.3
128.06250	1.0
129.07001	1.2
131.04984	0.8
131.08548	0.9
133.06465	1.0
133.10170	2.0
135.04381	0.8
135.11647	1.8
137.05992	1.6
137.82466	0.8
141.56929	0.7
142.07800	0.8
145.05006	1.7
145.06509	1.3
145.10121	1.2
147.11713	0.9
149.13368	0.9
151.03905	11.0
155.16704	0.7
157.10165	2.0
159.08145	1.0
163.03883	8.4
163.11168	1.6
163.29939	0.7
163.88867	0.7
165.05493	1.1
173.02342	1.0
173.07887	0.7
175.03908	1.9
181.04996	7.2
181.12039	0.8
189.03967	0.8
189.05518	3.8
191.03403	0.8
191.10661	0.8
192.04251	1.3
193.04950	20.8
193.12291	1.2
203.07008	5.6
211.06050	1.3
215.07137	1.3
217.04938	9.7
241.08595	2.1
259.06049	13.0
259.09634	3.3
265.14230	1.0
277.07043	2.4
283.09695	5.4
293.12012	0.7
327.15964	1.3
345.06119	2.2
349.10724	1.0
363.07092	4.9
381.08173	3.0
383.22281	0.9
383.87598	0.9
399.09091	1.9
433.25873	0.9
453.11804	1.2
507.30640	1.3
507.39835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07402	1.0
53.03938	1.6
55.05513	14.9
57.03440	9.3
57.07076	3.2
59.04980	1.0
65.03935	1.5
67.05500	36.5
67.46163	1.0
68.05820	1.4
69.07062	23.8
69.43549	11.3
70.06595	1.9
71.04989	1.3
71.08640	2.3
72.08150	59.7
72.99622	1.2
79.05483	10.2
81.03407	1.4
81.07054	42.5
83.04973	1.6
83.08601	9.1
86.85345	1.1
91.05463	11.0
93.07041	13.2
95.04967	3.3
95.08601	28.2
97.06538	2.9
97.10163	4.4
99.08094	1.0
103.76855	1.1
105.07028	13.7
107.08582	10.1
108.08962	1.0
109.06464	1.7
109.10157	13.5
111.08063	1.8
115.05317	1.1
117.07006	2.0
119.08541	6.1
121.10149	7.5
123.08065	2.3
123.11698	4.4
125.09650	2.3
128.06244	1.8
129.07018	3.3
131.08569	2.8
133.10127	6.1
135.11696	3.1
137.13292	1.3
141.06902	1.4
142.07764	2.2
143.08554	4.2
145.10115	4.9
147.11708	4.1
149.13278	2.4
151.11232	1.3
155.08562	2.5
156.09305	1.4
157.10110	5.1
159.11694	3.6
161.13275	2.7
169.10115	2.2
170.05760	57.6
171.11678	3.1
175.11163	2.0
175.14877	1.7
181.10159	2.3
183.11743	2.2
185.13281	1.8
187.11159	1.1
199.14842	2.3
200.15154	1.5
201.09116	1.1
201.16469	2.1
227.10681	3.6
259.23123	1.2
329.65369	1.2
337.27344	100.0
338.27609	3.8
447.29352	1.4
507.30923	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.05511	2.7
65.80550	2.2
69.03424	7.8
70.04146	6.2
70.04560	6.9
70.06582	2.9
71.04985	17.8
79.05479	7.1
81.07047	8.2
85.02914	3.3
85.06541	2.9
86.09711	4.0
91.05470	11.1
93.07037	9.6
95.04932	2.1
95.08586	5.1
97.02910	3.4
97.06519	2.3
99.04461	34.1
105.07033	100.0
107.08570	6.7
109.10189	2.6
119.08564	7.4
121.06478	3.9
128.06241	3.1
131.08556	4.1
133.04967	6.0
133.06487	10.9
133.10126	77.5
135.11736	2.7
137.06023	3.2
139.11130	2.3
143.08498	11.3
145.10135	7.8
146.07246	4.9
147.07941	2.4
151.07512	3.9
161.09618	98.4
163.11197	16.9
171.07999	5.7
179.10666	27.7
183.00098	2.3
183.06531	3.7
185.08141	6.8
189.09090	40.7
203.51454	2.5
207.10167	13.6
213.07596	11.4
225.11163	18.7
231.08575	6.8
232.61661	2.3
265.14319	6.1
275.12759	5.4
293.13828	31.5
303.12253	6.2
311.14816	3.9
321.13309	13.7
339.14404	9.3
446.93726	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05504	1.6
57.03177	1.1
57.03434	11.4
61.02909	1.6
67.05512	1.2
69.03426	3.0
69.07057	1.1
70.06581	2.3
71.01332	0.9
71.04992	75.8
71.45090	1.7
71.78336	0.7
72.08148	1.4
73.02902	2.6
74.09711	0.9
75.04469	3.1
83.04964	7.0
85.02903	100.0
86.09710	2.2
87.04470	2.2
91.05463	1.3
93.07053	1.2
95.04953	1.0
97.02878	4.0
99.04443	1.9
101.06003	0.8
103.03957	0.9
103.05437	2.6
105.07015	1.9
107.04958	1.6
109.02876	1.3
111.04427	4.5
117.06981	1.5
120.08129	1.4
121.06488	4.5
125.02380	0.9
127.03910	4.4
129.05475	47.0
129.10194	1.1
131.21938	0.8
137.05962	1.1
140.04691	7.3
145.04953	1.9
147.06526	19.9
149.05963	5.3
153.05443	4.4
163.03906	2.0
164.09192	2.9
167.07043	0.8
180.08652	1.1
181.08594	24.8
183.54887	0.8
187.07533	1.0
205.08604	3.0
209.35168	0.9
216.01198	0.9
247.09624	5.5
250.08624	2.5
252.07913	1.3
255.08429	1.0
265.08554	3.2
267.06555	3.6
273.22955	0.7
278.08191	3.0
308.09149	2.6
326.10297	0.7
349.76465	0.8
357.42404	0.8
403.53949	1.0
488.15585	10.2
506.27487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15544	1.0
53.03930	2.2
55.01867	2.3
55.05516	1.1
58.06593	2.2
61.02910	1.5
61.66936	1.3
67.05502	1.5
69.03428	4.4
70.06583	2.4
71.04989	14.3
71.38394	1.2
71.64161	1.2
71.64526	2.5
74.09737	1.3
79.05483	3.5
81.07060	3.1
82.07357	1.3
86.09660	1.2
91.05459	9.7
93.07047	5.8
93.84310	1.1
95.04966	2.1
95.08609	5.0
97.02876	1.3
97.06524	1.9
99.04448	23.9
103.05441	2.0
105.07025	100.0
107.08572	3.6
108.60970	1.2
109.06523	1.3
109.10167	1.8
117.07015	1.5
119.08556	5.9
121.06506	4.1
121.10167	1.6
123.08044	4.3
123.11747	1.4
128.06223	2.0
131.08575	3.0
133.04991	4.3
133.06517	8.0
133.10126	70.0
135.11664	1.6
137.05997	2.1
143.08563	4.2
145.10136	5.2
146.07281	3.0
147.07951	1.3
151.07539	2.8
161.09613	85.5
163.11169	18.4
171.08063	5.4
179.10666	28.2
183.06523	1.6
185.08118	8.7
187.93881	1.3
189.07394	1.8
189.09099	33.6
196.21364	1.3
207.10176	12.6
213.07574	6.7
231.08650	3.9
236.08212	1.3
247.13130	1.8
265.14325	8.4
268.11002	7.2
275.12811	7.1
277.05051	1.2
283.13260	3.1
293.13824	54.2
303.12219	5.8
311.14902	5.2
321.13336	15.6
326.13919	8.8
339.14447	10.3
344.11304	1.6
506.21640	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	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78516	0.7
53.03938	4.4
55.01866	2.0
55.05509	14.5
57.03429	2.2
57.07072	46.5
58.50121	0.7
63.06701	0.7
65.03930	1.4
67.05499	31.8
68.37001	0.7
68.85793	0.7
69.03432	2.9
69.07066	11.7
70.24751	3.4
71.04984	1.6
71.08629	32.2
79.05486	15.2
81.03413	100.0
81.07053	30.0
83.04962	3.8
83.08617	31.0
85.06531	1.2
85.10178	18.9
91.05476	22.2
93.07042	9.2
95.04962	26.2
95.08600	32.1
97.02887	3.2
97.06510	1.4
97.10184	6.2
99.08140	1.3
99.11733	0.8
105.03407	0.9
105.07028	13.6
107.04937	5.7
107.08574	4.2
109.06528	2.5
109.10155	16.4
110.79062	0.7
111.04428	1.3
111.08092	8.6
111.11740	1.9
115.05433	1.9
117.07001	1.8
119.04940	0.8
119.08584	13.4
121.06528	3.7
121.10117	4.4
123.04420	2.2
123.11722	6.2
125.09619	0.8
125.13264	1.6
128.06291	0.9
129.07001	9.2
131.08572	7.6
133.06496	4.3
133.10138	4.5
137.09680	1.2
137.13266	2.8
139.60100	0.7
142.07802	2.8
145.10123	1.3
147.08072	4.3
147.11674	7.0
149.09618	4.1
157.10114	9.3
161.89777	0.7
165.12709	1.5
165.16478	0.8
175.11183	9.9
179.14265	0.8
193.12230	59.6
229.14488	0.8
231.13828	1.3
239.23701	9.2
249.14909	6.5
313.89828	0.8
406.26349	0.9
489.38226	1.0
505.38873	90.5
506.39288	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01860	2.3
55.05510	14.5
57.03431	1.9
57.07075	47.9
57.95396	0.7
65.03937	1.5
67.05505	29.6
69.03419	1.7
69.06707	1.1
69.07069	12.8
69.07444	1.0
70.79050	2.1
71.04986	1.9
71.08630	33.6
74.57699	0.6
79.05491	15.3
81.03416	100.0
81.07056	31.8
82.03746	0.6
83.04977	2.9
83.08620	31.5
85.06551	1.4
85.10181	18.0
91.05477	22.3
93.07043	9.9
95.04350	1.0
95.04965	25.6
95.08604	32.5
97.02890	2.5
97.06543	1.0
97.10168	8.7
99.08089	2.1
99.11716	1.1
105.07024	14.7
107.04953	7.1
107.08609	3.2
109.06508	2.2
109.10157	15.7
111.04463	2.0
111.08073	8.4
111.11716	1.9
115.05479	1.5
117.07023	2.5
119.04911	0.8
119.08581	11.5
121.06511	2.1
121.10131	5.1
123.04451	2.3
123.08045	1.1
123.11710	6.2
125.13260	1.3
128.06247	1.1
129.07013	11.8
131.08568	8.6
133.06506	4.2
133.10158	3.4
135.11708	1.2
137.06024	0.7
137.09634	1.9
137.13281	2.5
142.07779	3.3
143.08548	0.9
145.10138	1.6
147.08051	4.1
147.11673	7.3
149.09618	4.5
151.14899	1.0
157.10120	9.8
165.12762	1.8
175.11171	11.9
179.14297	0.9
183.18430	0.6
185.13249	1.2
185.76439	0.6
193.12242	58.9
194.12730	0.9
199.14891	1.3
205.12296	0.8
217.58051	0.6
221.22647	0.8
231.13844	0.8
239.23674	10.2
249.14824	6.9
277.21567	1.0
360.61676	0.7
431.35364	1.2
505.38904	85.9
506.39310	2.1
512.25311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01865	2.7
55.05510	15.7
57.07075	42.5
58.30828	1.2
59.95567	1.3
65.03953	2.1
67.05501	27.6
69.07065	15.0
70.89466	3.5
70.89808	1.9
71.08628	28.9
79.05494	15.8
81.03416	82.9
81.07056	29.2
83.04977	3.7
83.08620	27.5
85.10184	12.1
91.05486	17.4
93.07050	10.8
95.04967	19.7
95.08604	29.6
97.02865	1.6
97.06532	1.6
97.10188	8.0
99.11745	1.8
105.07030	11.3
107.04949	6.3
107.08565	3.4
109.06480	2.0
109.10155	12.6
111.04455	2.0
111.08086	7.2
111.11688	1.3
115.05495	2.6
117.07039	1.3
119.08581	8.3
121.06529	2.1
121.10139	4.7
123.04382	1.7
123.11706	5.7
125.66638	1.2
129.07001	10.3
131.08603	8.2
133.06506	2.9
133.10109	3.7
137.13260	2.1
142.07759	3.0
147.08032	2.3
147.11699	4.6
149.09642	6.2
151.57455	1.3
157.10110	4.9
165.12849	1.4
169.57430	1.6
175.11182	7.5
193.12251	49.2
200.38451	1.5
205.12302	1.4
237.22124	1.7
239.23628	7.2
249.14787	8.1
251.11441	1.3
446.20554	1.4
505.22830	4.1
505.38879	100.0
506.39215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
51.06305	0.8
53.03928	1.9
55.01872	2.1
55.05508	14.2
57.03428	8.5
57.07063	3.9
59.04996	4.9
64.28593	0.8
65.03925	2.3
67.05498	100.0
69.03426	1.4
69.07066	12.5
71.04979	2.7
71.08622	1.9
71.65577	1.4
71.65948	0.9
79.05485	27.1
81.03397	3.9
81.06562	1.8
81.07049	33.0
82.07951	0.9
83.05010	1.8
83.08611	10.9
85.02889	0.9
85.06535	4.3
91.05473	39.2
93.07037	32.1
95.04964	4.8
95.08594	21.3
97.06513	1.9
97.10155	3.5
99.08084	1.7
99.60680	0.8
105.04472	1.1
105.07021	38.2
107.04942	1.2
107.08580	21.5
109.06508	2.3
109.10147	69.7
110.10483	0.9
111.08059	4.3
115.05421	1.3
117.06999	9.1
119.08575	38.4
121.10133	14.0
123.08087	1.0
123.11691	1.3
125.09625	2.1
127.11124	1.0
128.06221	2.8
129.07001	7.8
131.08543	15.0
133.04181	0.9
133.10118	27.2
135.08011	1.5
135.11693	13.0
137.09578	3.4
142.07767	2.4
143.08556	10.0
144.09267	1.0
145.10121	13.7
147.08061	0.9
147.11671	27.8
149.09605	1.6
149.13260	7.9
150.86816	0.9
151.11209	1.4
155.08597	2.2
155.10663	3.8
156.09294	0.9
157.10100	9.3
159.11690	13.8
161.13240	20.7
163.11186	2.0
163.14830	2.1
168.23691	0.9
169.10223	1.7
171.11673	10.8
173.11728	23.4
173.13261	7.1
175.11143	1.6
175.14807	8.4
177.12737	0.9
183.11723	1.7
185.13203	6.5
187.14827	2.4
189.11205	2.3
189.12756	1.4
193.12251	1.8
197.13147	2.1
199.14815	10.7
201.16376	1.3
203.14404	1.1
211.14822	1.0
213.16324	2.3
215.17877	1.5
217.15938	1.3
227.12721	5.5
229.14330	45.3
231.17403	1.1
231.21025	5.8
235.72023	1.0
241.19499	24.8
259.20551	57.1
261.22174	2.3
269.19302	0.9
275.20236	1.1
277.21561	2.6
315.23132	3.9
333.24197	26.9
371.24567	0.9
395.29449	1.0
413.30396	1.5
445.27136	1.5
487.34311	10.7
505.28674	1.7
505.34872	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	504.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77793	22.3
55.05512	44.2
60.89151	23.6
67.05498	93.0
69.07059	51.8
79.05486	76.2
81.07050	72.4
91.05459	66.8
93.07034	75.1
95.04997	34.3
95.08601	36.6
97.06522	50.8
98.21630	50.5
105.07029	100.0
107.08576	89.7
109.10121	57.4
111.77759	23.8
115.87286	26.2
119.08585	62.8
121.10133	32.8
123.47161	23.2
131.08545	39.8
133.10138	69.9
145.10100	61.2
157.10075	59.2
159.11676	97.7
164.31036	25.7
169.16785	26.2
171.11685	37.4
195.11716	37.5
205.12251	56.4
207.11650	27.4
209.13171	48.4
211.14896	40.5
219.11688	34.4
263.18082	34.7
317.22516	26.1
335.23734	31.9
363.23328	50.5
381.24332	54.4
475.61343	26.5
490.76324	33.3
504.33600	60.5
526.32587	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	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96425	8.0
58.06598	70.4
60.04515	29.0
67.05476	14.4
69.03424	19.8
70.06583	32.5
71.64265	20.0
72.08150	70.5
73.02889	9.6
75.51279	9.7
79.05476	10.4
81.07033	15.4
83.04948	17.4
84.04492	14.1
84.08163	12.9
85.02896	50.0
86.09698	49.6
91.05441	11.7
91.67036	9.8
93.07041	39.9
95.04967	17.5
96.08131	23.4
97.02891	31.6
97.08963	11.3
102.05541	19.2
105.07012	26.5
107.08611	23.2
108.08106	58.3
109.06522	35.2
119.08575	22.8
121.02905	13.5
121.14214	8.5
122.09618	10.1
123.08090	15.6
124.07603	13.4
126.09161	14.6
127.03978	11.0
129.10231	16.9
131.08521	9.6
135.08029	11.8
136.07550	40.9
139.03932	15.1
152.07024	12.0
154.08598	100.0
159.08026	19.2
161.09705	10.8
161.75406	10.1
170.08144	17.5
172.09695	18.5
173.13367	11.3
205.08662	24.0
217.12114	10.6
223.09535	14.6
235.06198	17.0
237.09184	15.4
249.17245	14.0
250.17978	23.6
251.12836	15.9
263.12750	31.2
265.08594	39.4
272.12381	11.0
281.13684	23.4
291.05222	65.7
292.06110	46.7
296.09052	13.6
297.11108	31.1
298.10776	20.6
306.16956	10.4
309.06311	30.9
324.08670	70.0
324.18033	78.2
325.06909	17.5
342.09946	81.0
342.16910	63.7
342.19217	68.3
504.23898	64.0
516.56152	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	504.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.6
58.25860	2.4
61.28402	2.8
64.80848	3.4
64.90696	2.6
67.05492	5.6
69.03435	6.8
70.43535	6.5
70.43902	6.8
72.89911	3.1
73.02899	4.1
76.80568	2.8
79.05518	2.8
81.07051	6.5
85.02888	7.4
91.05470	8.5
93.07033	7.1
93.48711	2.8
95.08613	3.8
97.02864	4.2
103.80181	2.6
105.07024	36.2
107.08592	11.2
109.06519	3.5
117.07016	9.3
119.08553	10.5
121.06460	4.0
121.10133	5.1
126.72441	2.9
128.06212	5.3
129.06989	9.5
131.08551	28.6
133.10138	7.2
141.06972	6.8
142.07761	11.4
143.08525	17.6
144.09369	4.1
145.06493	3.4
145.10147	19.3
147.08107	3.8
147.11667	11.3
153.05461	3.9
153.07031	4.0
155.08531	8.1
156.09280	4.2
157.10120	33.6
158.10889	4.3
159.08031	10.0
159.11684	26.4
161.09685	4.7
165.09023	3.3
168.09352	14.2
169.10074	6.8
171.11638	6.3
173.09605	3.0
173.13243	31.6
175.11192	17.3
183.11700	33.4
185.13228	10.3
187.11139	21.5
189.09128	4.4
189.12825	4.1
191.07077	5.2
191.14380	3.1
199.11133	10.3
201.12724	30.0
207.10103	4.6
211.11166	11.2
213.72508	3.1
217.12241	30.0
219.13780	11.7
229.12199	35.9
235.13554	3.4
247.13284	100.0
265.14301	10.4
299.99728	2.9
307.15384	7.2
507.88110	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	504.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.9
61.02903	0.8
63.96133	0.5
66.77560	0.5
69.03425	3.0
70.06555	1.8
70.09175	0.6
70.98706	1.0
71.05591	0.6
72.08130	1.0
74.13781	0.6
77.69789	0.7
81.03380	0.8
84.08113	0.8
85.02899	7.2
86.09667	2.0
88.85896	0.6
91.17724	0.6
97.02842	2.3
99.80527	0.6
109.02827	0.7
118.52633	0.6
125.02357	1.0
127.03870	1.3
129.10191	0.6
137.05928	1.6
143.11787	0.8
157.03127	0.6
175.07475	0.7
205.06485	1.1
207.08147	0.9
209.09642	1.0
219.07939	1.1
220.08684	0.8
225.09053	1.5
233.06029	0.9
235.07512	0.9
236.08292	2.5
237.09085	15.3
238.09625	0.7
249.05563	1.2
249.09084	1.7
251.06956	0.7
251.10728	2.1
253.08574	6.7
263.06964	1.4
264.07782	1.1
265.08585	49.2
266.05838	0.7
266.08997	2.5
267.06473	1.1
267.10178	1.6
268.10889	0.7
279.10214	4.7
280.10928	100.0
281.08102	39.3
281.11237	3.4
282.08633	1.8
296.10425	54.5
297.10815	1.9
299.12750	1.1
311.12756	93.8
312.13113	4.4
322.96616	0.6
325.23276	0.6
342.16998	1.2
473.18082	25.3
474.18466	1.6
499.13153	0.7
504.22281	37.8
505.22787	1.9
511.63950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	0.7
61.02905	1.2
64.03118	0.6
64.46181	0.4
65.48734	0.5
69.03427	4.8
70.06564	1.4
71.04981	0.5
71.18451	0.4
71.22920	1.0
72.08115	1.0
73.02890	0.5
81.03393	1.4
85.02914	4.7
86.09711	1.2
91.03913	0.6
91.05354	0.5
97.02896	2.7
109.02844	0.8
127.03881	1.1
136.72781	0.5
137.05894	0.5
145.04839	0.6
155.49530	0.5
163.03857	1.7
165.06911	0.6
180.08055	2.2
181.06325	0.6
182.07291	0.5
183.08020	0.8
184.07430	0.6
195.07997	1.1
197.09689	0.8
198.06776	1.1
207.06723	1.2
208.07568	2.9
209.06046	0.6
209.08224	1.1
210.06805	1.2
211.07626	1.0
212.06969	0.9
213.09142	1.6
214.08595	1.4
222.09149	2.7
223.07582	1.0
224.07043	1.0
225.05721	0.5
225.07631	1.6
225.09412	0.9
226.06190	2.4
226.08600	1.9
227.07300	0.8
227.09291	3.3
235.06053	0.5
236.06972	1.0
237.07782	6.5
238.06310	1.2
238.08522	5.3
239.06998	1.5
239.09241	1.0
240.06512	1.1
240.10211	1.3
241.08612	2.2
250.08617	6.5
251.07002	0.8
253.07155	5.3
254.05766	4.1
254.08060	1.1
255.06459	1.5
255.08908	5.0
264.06476	0.6
265.07407	2.8
266.05557	0.7
266.08087	8.9
267.08875	2.8
268.09689	2.4
269.08090	42.4
270.08389	0.7
270.11182	1.0
271.09586	0.6
280.09705	8.7
281.06754	9.2
281.10242	1.0
282.07510	4.8
283.08401	12.3
296.09167	41.7
297.09674	1.2
298.10736	83.9
299.11121	2.4
322.07074	0.9
324.08087	2.6
342.09720	100.0
343.10260	2.6
413.89584	0.6
460.16113	1.4
504.14923	2.1
504.21036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	0.4
57.03409	0.8
58.07927	0.4
61.02898	0.8
62.59852	0.4
69.03427	3.3
70.06571	0.8
70.90586	0.5
70.90919	0.8
72.08145	0.6
73.02882	0.3
77.94441	0.4
81.03394	1.4
84.08097	0.6
85.02890	3.7
86.09692	1.0
87.04437	0.5
97.02871	2.4
109.02819	0.7
125.02362	0.3
127.03899	0.9
133.59883	0.4
137.05872	0.4
146.49673	0.4
147.02130	0.4
153.06938	0.4
163.03844	1.2
165.06970	0.9
180.08066	2.3
181.06439	0.6
182.07283	0.4
185.09604	0.5
195.08118	0.8
197.08168	0.5
197.09743	0.5
198.06758	1.5
200.07129	0.5
207.06699	0.5
208.05760	0.4
208.07529	2.7
209.08295	0.9
210.06860	0.4
210.09053	0.5
211.07445	1.2
212.06892	0.7
213.07487	0.4
213.09221	0.8
214.08632	1.8
222.09108	2.2
223.07526	1.6
224.06990	0.8
225.07610	1.1
225.09370	0.8
226.06227	2.4
226.08588	1.4
227.09352	1.8
235.06102	0.8
236.04851	0.4
236.07040	1.3
237.05568	0.6
237.07805	5.2
238.06293	0.7
238.08542	4.9
239.06966	1.7
239.09229	0.8
240.04301	0.4
240.06662	1.2
240.10059	2.1
241.08592	2.2
250.08615	4.7
251.07010	0.6
253.07239	4.9
254.05676	3.5
254.08151	1.3
255.06418	1.8
255.08902	3.6
265.07263	2.7
266.05338	0.4
266.08102	10.8
267.08923	2.3
268.07184	0.6
268.09732	3.0
269.08066	39.0
270.08459	0.9
270.11221	1.2
280.09683	7.2
281.06668	7.9
282.07547	3.7
283.08377	10.5
296.09155	41.9
297.09579	1.3
298.10718	81.1
299.11163	2.4
310.10706	0.7
324.08487	1.1
342.09702	100.0
343.10092	2.7
384.10416	0.5
460.15900	1.3
504.14737	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	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03938	2.0
55.05507	2.2
55.66892	1.2
57.03427	5.5
61.02915	3.3
67.05485	2.6
69.03426	15.7
69.07063	2.5
70.06596	3.9
71.04987	2.5
71.64190	2.6
72.08139	1.7
73.02921	2.1
74.76563	1.2
79.05471	4.6
81.03410	3.0
81.07048	6.5
82.06563	5.5
84.04481	2.8
85.02909	15.8
85.06544	5.4
86.09689	5.9
87.04456	4.6
91.03933	2.0
91.05446	9.1
93.07048	6.2
94.06590	2.8
95.04938	1.5
95.08591	5.6
97.02901	15.5
97.06561	6.1
99.04417	2.6
99.08081	1.6
105.07036	19.3
107.08569	5.7
108.08109	2.4
109.02848	2.4
109.06525	2.5
109.10130	2.7
111.08060	1.8
114.51588	1.2
115.03932	10.6
117.06992	2.6
119.08587	10.3
120.08112	5.3
121.10146	4.9
123.08033	1.6
127.03903	3.7
129.07014	2.1
131.08560	20.5
133.04965	7.5
133.10129	100.0
134.10509	1.6
135.08038	3.7
135.11697	2.8
137.05980	16.3
143.08568	3.5
145.10121	12.2
147.08018	1.6
147.11697	8.3
149.05995	1.3
149.09587	1.4
149.13252	5.2
157.10085	2.2
158.10948	6.1
161.06015	2.7
163.11191	3.4
163.14799	4.6
171.11749	2.4
173.13257	62.0
175.07568	3.7
175.14848	2.0
189.12653	1.8
191.10643	2.8
191.14304	47.4
197.13303	1.5
199.07573	2.0
201.08978	1.4
201.12543	2.3
203.08734	1.9
206.15453	1.7
210.91162	1.6
215.14334	3.4
224.16356	7.3
229.12253	2.6
232.17015	2.6
233.15381	4.0
249.19650	3.6
257.36017	1.4
266.09219	1.3
269.15350	1.9
279.10141	2.3
291.10239	1.7
298.20145	12.5
299.08255	1.6
305.17502	2.2
311.12689	2.7
321.13406	1.4
323.12808	2.6
323.18582	1.6
323.23126	2.2
324.12201	1.9
335.18289	1.5
341.13635	2.2
341.24347	22.6
467.27319	3.5
485.28625	2.9
503.14999	5.8
503.29749	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	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01868	1.6
55.05510	41.8
57.03428	1.9
57.07075	16.1
65.03941	1.6
67.05162	1.8
67.05505	17.8
69.03439	1.4
69.07066	42.5
70.89982	1.5
71.05010	1.6
71.08624	11.1
79.05497	17.0
81.03417	100.0
81.07056	13.1
83.04981	4.6
83.08617	55.7
85.10171	5.7
91.05474	19.6
93.07042	9.4
93.81047	1.0
95.04970	29.4
95.05556	2.1
95.08620	4.8
97.02907	3.2
97.06557	1.9
97.10172	36.1
97.98781	1.0
105.07025	16.9
107.04962	6.1
107.08603	3.8
109.06535	1.7
109.10162	2.6
111.08091	8.9
111.11703	13.4
111.12309	1.1
115.05514	1.6
117.07040	1.4
119.04980	1.8
119.08588	12.6
121.06532	2.6
121.10129	6.0
123.08067	1.2
125.13272	3.8
128.06212	1.9
129.07001	11.1
131.08565	8.3
133.06506	3.6
133.10162	4.4
137.05975	1.7
137.09581	1.5
142.07845	2.2
143.08611	1.1
145.10139	2.0
147.08066	3.5
147.11652	6.4
149.09641	4.1
157.10124	10.5
165.12740	1.7
175.11198	10.8
193.12247	46.5
211.13380	1.8
214.53899	1.0
236.59972	1.1
237.22021	1.9
249.14824	11.1
503.37350	85.8
504.37738	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.7
53.37697	6.2
55.05506	7.4
57.03431	7.4
57.07059	6.8
59.26479	6.2
67.05498	21.2
69.03413	12.6
70.87872	23.7
75.75613	6.7
79.05476	18.6
81.03387	13.4
81.07054	66.7
85.02914	16.5
87.00825	8.4
91.05466	16.9
93.07027	27.0
95.08615	37.4
97.02857	6.9
97.06505	20.6
97.10178	10.6
99.04536	6.8
105.07032	73.6
107.08574	27.3
109.02843	8.4
109.10162	19.9
119.08566	41.9
121.10117	26.3
127.03905	16.9
131.08580	21.8
133.10118	22.4
135.11737	11.2
137.05956	10.5
145.10162	32.7
147.11658	7.5
149.13231	9.0
159.11693	22.2
160.89665	6.6
161.13242	100.0
163.14767	17.6
173.13271	9.4
191.17955	11.7
198.23132	6.6
201.16405	43.7
202.16878	7.9
219.17464	12.5
311.12695	11.9
438.94403	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	503.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.9
65.13048	6.4
67.05496	13.9
69.03406	11.1
69.07057	10.9
69.57308	57.1
70.06593	9.4
79.05489	14.8
81.03405	9.7
81.07053	25.1
85.02909	13.8
93.07056	18.7
95.04964	9.9
95.08611	37.4
97.02915	11.2
97.06530	9.2
100.11275	23.2
105.07033	43.8
107.08608	32.7
109.10183	21.8
119.08609	21.5
121.10182	16.1
123.08073	10.1
131.08598	12.3
133.10138	20.3
135.11697	8.4
137.05975	17.4
142.08755	6.7
145.10126	24.0
147.11678	12.9
153.33852	7.7
158.63873	7.4
159.11691	25.1
161.13254	100.0
161.14584	8.8
163.14795	8.5
191.18016	11.4
201.16359	47.5
219.17432	67.3
237.18439	38.6
411.21454	7.3
422.21967	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	503.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80739	2.8
53.03935	5.6
54.08915	2.6
55.01854	5.2
55.05494	7.0
57.03422	12.2
59.04983	4.8
65.03939	8.1
67.00323	3.2
67.05501	50.8
69.03422	4.4
69.07063	28.8
70.06577	4.3
70.17990	7.3
70.18404	9.0
72.22382	2.8
77.03864	3.5
78.87059	2.8
79.05489	36.3
81.03412	6.8
81.07043	23.1
83.04960	8.8
83.08596	4.0
85.06541	3.8
91.05439	25.8
93.07034	16.2
95.04955	12.0
95.08615	14.9
97.02859	5.4
97.06524	88.0
97.10115	3.7
98.98448	14.6
99.08053	4.0
103.05468	6.7
105.07018	31.1
107.04952	38.1
107.08593	10.9
109.06509	12.4
109.10157	26.8
114.92021	2.9
117.07008	9.4
118.04150	3.4
119.04927	4.9
119.08586	11.9
120.05730	5.0
121.06526	5.1
121.10146	4.7
122.03668	3.2
123.04426	9.9
123.08039	9.1
125.02352	15.6
127.03922	19.0
131.04913	4.7
131.08534	10.3
133.02791	3.4
133.06482	14.3
133.10106	9.9
135.04395	10.5
135.08055	13.0
135.11612	4.0
137.05962	6.5
139.03894	7.1
143.08505	5.8
145.10120	9.9
147.04414	9.6
147.08009	5.0
147.11644	3.6
148.05161	5.5
149.02310	7.3
149.05942	3.9
149.09630	4.5
151.03893	8.4
153.05464	11.2
155.03329	14.1
156.04173	19.5
157.04941	7.7
157.06253	2.8
157.09987	3.4
159.11713	7.4
161.05969	5.2
163.03879	13.3
163.07550	24.9
163.11136	3.1
165.05472	38.2
165.09073	9.0
167.05569	5.8
167.07008	4.3
169.04907	7.5
175.07523	4.1
176.04596	3.1
176.63112	3.3
177.05487	6.0
177.12671	4.3
179.07025	15.2
179.14333	8.0
180.04282	4.5
180.07797	43.2
181.04936	23.5
183.06514	10.4
183.77119	3.5
191.06978	5.2
192.07826	3.6
193.04964	36.2
193.08611	32.2
194.05659	14.1
194.09332	26.9
195.06482	25.7
195.10147	46.9
195.11810	4.4
207.10181	9.0
209.08078	8.8
209.11696	3.3
211.06029	10.5
212.06731	9.8
213.07574	4.7
219.17336	4.1
221.11667	4.7
235.09575	19.2
247.09668	4.4
253.10701	19.6
257.18985	3.9
259.09982	3.0
261.11212	5.2
265.10617	9.9
273.11130	4.5
275.20081	10.5
279.12280	37.1
291.12238	100.0
299.06250	7.2
309.13412	14.7
331.26334	14.8
405.29941	11.6
503.33780	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	503.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80739	2.8
53.03935	5.6
54.08915	2.6
55.01854	5.2
55.05494	7.0
57.03422	12.2
59.04983	4.8
65.03939	8.1
67.00323	3.2
67.05501	50.8
69.03422	4.4
69.07063	28.8
70.06577	4.3
70.17990	7.3
70.18404	9.0
72.22382	2.8
77.03864	3.5
78.87059	2.8
79.05489	36.3
81.03412	6.8
81.07043	23.1
83.04960	8.8
83.08596	4.0
85.06541	3.8
91.05439	25.8
93.07034	16.2
95.04955	12.0
95.08615	14.9
97.02859	5.4
97.06524	88.0
97.10115	3.7
98.98448	14.6
99.08053	4.0
103.05468	6.7
105.07018	31.1
107.04952	38.1
107.08593	10.9
109.06509	12.4
109.10157	26.8
114.92021	2.9
117.07008	9.4
118.04150	3.4
119.04927	4.9
119.08586	11.9
120.05730	5.0
121.06526	5.1
121.10146	4.7
122.03668	3.2
123.04426	9.9
123.08039	9.1
125.02352	15.6
127.03922	19.0
131.04913	4.7
131.08534	10.3
133.02791	3.4
133.06482	14.3
133.10106	9.9
135.04395	10.5
135.08055	13.0
135.11612	4.0
137.05962	6.5
139.03894	7.1
143.08505	5.8
145.10120	9.9
147.04414	9.6
147.08009	5.0
147.11644	3.6
148.05161	5.5
149.02310	7.3
149.05942	3.9
149.09630	4.5
151.03893	8.4
153.05464	11.2
155.03329	14.1
156.04173	19.5
157.04941	7.7
157.06253	2.8
157.09987	3.4
159.11713	7.4
161.05969	5.2
163.03879	13.3
163.07550	24.9
163.11136	3.1
165.05472	38.2
165.09073	9.0
167.05569	5.8
167.07008	4.3
169.04907	7.5
175.07523	4.1
176.04596	3.1
176.63112	3.3
177.05487	6.0
177.12671	4.3
179.07025	15.2
179.14333	8.0
180.04282	4.5
180.07797	43.2
181.04936	23.5
183.06514	10.4
183.77119	3.5
191.06978	5.2
192.07826	3.6
193.04964	36.2
193.08611	32.2
194.05659	14.1
194.09332	26.9
195.06482	25.7
195.10147	46.9
195.11810	4.4
207.10181	9.0
209.08078	8.8
209.11696	3.3
211.06029	10.5
212.06731	9.8
213.07574	4.7
219.17336	4.1
221.11667	4.7
235.09575	19.2
247.09668	4.4
253.10701	19.6
257.18985	3.9
259.09982	3.0
261.11212	5.2
265.10617	9.9
273.11130	4.5
275.20081	10.5
279.12280	37.1
291.12238	100.0
299.06250	7.2
309.13412	14.7
331.26334	14.8
405.29941	11.6
503.33780	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62983	0.6
52.64113	0.6
53.03913	1.1
61.02921	1.3
69.03439	3.6
70.06573	0.7
70.67648	2.4
79.05478	1.9
81.03409	1.1
81.07066	1.3
85.02913	7.9
87.04471	0.8
91.05464	4.0
93.48582	0.7
94.04171	2.9
97.02889	4.7
99.04439	1.0
103.05479	1.4
104.06288	0.8
105.07034	6.6
107.04951	1.1
109.02891	1.2
109.06512	2.4
115.05456	3.5
117.03410	0.7
118.04137	0.8
119.04927	1.0
119.08581	1.9
122.03642	7.8
127.03925	2.5
128.06264	1.5
129.07019	2.5
131.04916	1.3
131.08606	0.9
132.05698	2.5
133.06503	3.7
133.10164	0.8
137.05978	100.0
138.06424	1.1
145.04935	1.0
145.06468	0.8
147.04416	1.0
147.08052	3.2
149.05995	1.8
155.04909	1.1
156.05682	1.4
159.08064	3.2
160.05080	1.6
161.05984	15.6
163.07497	1.6
171.08017	2.1
172.05194	1.6
173.13292	1.2
175.07550	30.2
177.09157	0.7
184.05228	0.8
187.07545	9.8
189.07065	0.7
189.09192	1.1
190.07796	2.5
191.08575	6.4
199.07541	10.0
202.07851	2.7
203.08617	5.2
205.06523	0.8
218.07283	1.2
219.08072	9.6
220.08803	3.1
231.08003	5.6
232.08820	1.9
235.07600	1.4
236.08331	1.9
237.09016	1.2
247.07521	3.9
248.08350	3.2
251.10661	12.6
259.07391	3.6
260.08383	1.6
261.09143	1.5
263.10605	4.1
264.07855	1.4
265.08636	1.6
276.07727	1.2
277.08478	3.6
279.10190	9.7
280.10980	1.0
281.07932	0.9
291.10138	9.7
292.10858	3.3
293.08276	0.8
295.13425	1.5
308.10648	0.8
311.12775	23.2
323.12772	14.6
358.33917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.06433	1.2
57.03425	2.2
61.02901	1.6
62.39152	0.9
69.03428	8.9
70.93339	2.4
73.02937	1.3
80.33296	1.0
81.03413	2.2
85.02909	17.3
91.05479	2.6
91.24106	1.0
92.52245	1.3
93.99512	1.0
94.04175	3.1
97.02898	6.9
103.05466	3.3
105.07027	4.4
109.02872	1.9
109.06517	2.3
115.05463	2.6
119.08575	2.9
122.03631	5.6
127.03982	2.3
127.49001	1.3
128.06261	2.5
129.07014	2.3
131.04924	4.8
132.05725	2.0
133.06499	1.7
136.77191	1.0
137.05977	100.0
138.06264	1.2
145.04967	1.5
146.03650	1.7
147.08069	2.6
149.05986	1.8
156.05728	1.2
159.08043	1.7
160.05263	2.3
161.05974	13.5
163.07581	6.3
168.05783	1.1
173.17152	1.0
175.07542	40.7
184.05174	2.6
187.07472	6.0
190.07751	1.3
191.08531	5.8
199.07561	16.0
201.09151	1.3
202.07794	4.3
203.08543	8.5
219.08078	8.5
220.08873	1.4
231.08064	11.7
232.08846	2.0
235.07512	1.2
236.08244	2.1
247.07503	3.0
248.08316	4.4
249.09116	1.4
251.10754	8.5
259.07480	5.8
260.08386	2.8
261.08817	1.6
263.10739	6.5
264.07770	1.4
276.07794	3.4
277.08582	3.7
279.10257	7.9
280.10922	1.6
291.10138	13.0
292.10864	4.7
295.12991	2.1
308.10529	2.7
308.44254	1.5
309.10806	1.2
311.12769	18.2
323.12784	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	501.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01855	8.8
55.05497	8.2
63.64282	4.7
67.05499	8.7
69.03423	25.3
69.07040	6.6
69.42824	48.1
70.06583	13.3
71.05006	7.6
72.08138	7.5
77.55526	4.4
79.05468	16.8
81.03397	19.6
81.07053	73.9
84.04500	5.9
85.02898	48.4
86.09694	6.3
87.00821	19.0
87.04456	4.9
89.07145	32.0
91.05465	12.0
93.07027	21.9
95.04967	10.8
95.08593	26.1
95.64794	4.3
97.02885	28.7
97.06510	12.4
99.04440	9.9
105.01873	23.6
105.07036	44.2
107.08611	26.4
109.02840	17.8
109.06484	11.3
109.10140	16.0
111.08047	7.5
115.03960	6.0
117.06977	9.0
119.08575	30.5
121.10122	15.7
127.03900	33.0
129.01820	6.6
129.07068	6.3
131.08565	18.2
133.10085	19.5
135.11708	6.0
137.05933	12.3
137.09595	13.2
142.07747	8.2
143.08583	7.7
145.04930	11.2
145.10095	8.3
147.11751	9.7
149.13315	8.4
155.10623	5.3
157.10115	31.5
159.02846	5.4
159.11679	72.4
161.09602	9.3
161.13263	38.1
168.06609	4.7
171.11687	5.5
173.13254	7.2
175.11134	7.6
177.12775	14.6
179.14288	12.4
187.14784	9.9
189.16487	12.5
198.27449	4.7
199.14819	34.3
217.15858	100.0
235.16890	65.8
253.18019	40.6
411.85971	5.3
501.19327	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	502.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
61.02942	0.5
69.03441	2.0
69.69124	2.5
70.06594	0.5
73.04604	0.3
81.03433	0.9
85.02905	2.9
86.09740	0.5
87.04465	0.5
91.57291	0.4
97.02930	1.1
99.04482	0.4
103.21011	0.4
104.78353	0.4
105.95976	0.3
120.31448	0.4
127.03951	0.5
137.74384	0.4
167.07378	0.4
168.20158	0.4
194.06058	0.4
207.06850	0.5
211.06224	0.5
212.07132	0.6
221.04819	1.2
222.05548	1.5
223.06296	1.9
224.07135	0.9
225.07814	0.8
235.06227	2.0
236.07104	1.2
238.04982	0.5
240.66370	0.5
248.06857	0.5
250.04973	8.2
251.05734	7.0
252.06490	0.7
253.07387	1.9
263.05688	3.0
264.03561	0.7
264.06479	5.7
266.08136	0.9
278.04602	1.8
278.08139	5.4
279.05270	24.4
280.06009	2.6
281.06784	4.2
292.06119	0.6
294.07620	5.3
296.09171	18.5
307.04639	0.5
322.07089	100.0
323.07254	2.0
340.08139	57.8
341.08646	1.4
502.13373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.82583	0.3
55.01860	0.8
57.03426	0.4
61.02926	0.4
62.85943	0.3
69.03422	2.7
69.33550	0.4
70.19422	1.7
70.19789	0.7
71.04996	0.4
73.02902	0.5
74.89936	0.3
81.03418	2.2
85.02905	3.7
87.00821	1.9
94.81636	0.4
97.02901	1.8
99.04446	1.0
103.81293	0.4
105.01859	1.3
105.07021	1.3
109.02869	3.0
127.03927	4.0
145.04964	0.9
147.02808	0.4
149.02339	0.4
159.02881	1.5
160.86714	0.3
161.09654	0.6
163.03915	0.5
164.04665	0.8
167.03299	0.4
174.03078	0.5
177.01767	1.8
179.03377	0.6
191.03375	2.1
192.04178	1.6
193.04922	1.2
195.02873	1.0
205.01306	18.8
206.01657	0.5
206.29759	0.4
207.02881	1.0
209.04478	2.0
219.02855	1.5
220.03647	12.3
220.05742	0.7
221.04343	0.5
223.02362	15.1
231.04939	0.4
237.03989	0.8
238.04738	10.6
253.07060	100.0
254.07359	2.3
278.99902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73679	1.9
53.03937	5.9
55.01855	5.9
55.05508	27.3
57.03442	23.3
57.07060	6.7
60.08163	4.0
61.02925	57.8
62.98033	2.1
63.88815	2.2
65.03945	2.4
67.05504	76.9
68.05820	2.0
69.03425	26.8
69.07065	33.0
69.51385	12.6
69.51814	6.1
71.01350	4.0
71.04987	6.8
71.08610	4.3
71.47260	2.1
73.02915	33.0
75.04462	2.0
77.83945	2.0
79.05067	2.3
79.05497	29.2
81.03422	27.0
81.07056	86.7
83.04958	5.9
83.08618	20.8
85.02899	61.2
85.06512	4.5
86.09690	8.7
87.04420	4.3
87.10034	2.5
91.03952	37.9
91.05472	18.0
93.07045	31.2
95.04972	6.7
95.08602	63.6
97.02892	50.6
97.06526	6.9
97.10160	8.5
98.21491	3.9
99.04462	9.5
99.08099	3.5
101.02359	12.8
103.03925	7.8
104.10730	15.5
105.07033	16.3
105.11076	6.7
105.19337	2.1
107.08588	17.9
107.20068	2.0
109.02862	12.2
109.06515	3.8
109.10152	31.0
111.04430	3.9
111.11716	2.5
113.09589	3.0
115.03917	7.9
117.07005	3.0
119.08567	14.3
121.10134	15.7
123.11687	15.2
124.99954	3.4
127.03923	22.7
129.05467	5.6
131.08559	4.9
133.10162	13.7
135.11671	8.6
137.13228	5.6
143.08525	4.5
145.04959	11.9
145.10112	3.5
147.11679	7.1
149.13234	7.8
151.14813	2.9
157.10170	3.7
159.11662	3.1
161.13237	7.3
163.14827	7.3
165.16338	3.3
173.13283	2.3
175.14825	7.8
177.16431	3.0
183.06531	5.2
183.11629	2.7
184.07338	6.8
185.07791	2.7
186.07813	7.7
189.16382	2.6
201.07498	3.5
245.22649	9.6
261.22125	2.4
263.23694	19.6
264.86047	2.0
329.24677	2.1
337.27353	100.0
348.67886	2.1
353.24118	2.0
365.26917	2.6
371.25726	3.6
377.30905	2.2
463.30740	3.0
481.32538	3.7
499.33051	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	499.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.7
62.87550	5.7
64.70798	5.2
67.05487	25.7
69.07066	17.0
71.62563	7.5
71.62944	8.9
79.05495	30.3
81.07056	68.5
91.05466	44.3
93.07037	66.8
95.04977	6.8
95.08605	45.8
105.07027	79.7
107.08588	46.5
109.06567	7.2
109.10164	30.2
115.03931	58.2
117.07001	15.4
119.08576	64.4
121.10127	27.7
128.06245	12.0
128.77103	5.3
129.07002	14.9
129.30026	6.3
131.08554	36.5
133.10133	51.3
135.11697	27.2
141.07007	6.9
142.07758	8.1
143.08557	37.8
144.09413	5.9
145.10118	55.0
145.25426	5.3
147.11681	36.3
149.13254	29.2
155.08521	19.3
157.10141	32.9
158.63824	6.7
159.11681	55.5
161.13281	59.9
163.14796	20.5
169.10121	22.6
171.11679	24.2
173.13254	16.8
173.23207	6.3
175.14792	15.9
181.10063	7.9
183.11688	13.6
185.13290	17.2
187.14806	16.5
189.16441	13.3
195.11874	8.2
197.13228	23.9
199.14775	37.8
201.16434	34.8
203.17906	22.4
211.14842	28.8
213.16328	29.2
215.14255	12.5
215.17967	32.0
217.15919	16.2
222.34477	5.9
225.16420	7.8
229.19391	9.5
239.17888	9.2
251.18019	16.9
253.19337	7.1
265.19305	6.1
305.22476	7.7
325.29010	8.8
333.25378	9.4
361.28809	100.0
379.29953	38.2
397.31125	12.6
421.31226	26.6
439.31845	7.6
481.32932	14.0
499.34332	38.4
504.22403	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	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01854	5.4
55.05252	2.8
55.05507	37.3
57.03436	28.2
57.07061	8.8
59.04982	1.8
61.02921	54.2
67.05502	88.0
67.05867	4.3
69.03421	34.4
69.07063	36.1
69.20927	1.7
71.01347	6.0
71.04971	4.9
71.08622	7.9
73.02909	29.0
74.57887	2.2
77.79134	1.9
79.05486	30.5
81.03416	22.5
81.07053	89.4
83.04981	4.3
83.08607	25.9
85.02897	65.5
85.06535	4.1
87.04469	3.4
87.61392	2.1
91.03947	37.3
91.05471	29.2
93.07030	32.8
95.04956	7.1
95.08599	63.6
97.02889	49.7
97.06536	6.4
97.10152	12.5
97.24605	2.1
99.04455	9.7
99.08080	3.8
101.02374	15.2
103.03936	11.5
105.07025	18.1
107.08592	21.4
109.02881	8.3
109.06462	2.4
109.10149	32.9
111.04406	2.8
111.11704	2.9
113.09689	2.5
115.03902	7.4
117.05507	3.4
117.06995	6.5
119.08570	15.0
121.06475	3.6
121.10149	17.9
123.08058	2.2
123.11694	17.6
127.03901	20.4
129.05470	5.0
131.08554	8.8
133.10121	15.2
135.11684	9.3
137.09566	2.5
137.13245	7.0
143.08575	3.1
145.04944	7.2
145.10054	4.2
147.11676	10.5
149.13237	11.5
151.11168	2.6
151.14803	3.7
157.10147	2.8
159.06538	2.3
159.11659	4.0
161.09575	2.8
161.13260	8.8
163.14812	7.5
165.12659	3.4
171.11714	2.3
175.14783	6.9
177.16434	2.1
179.14310	2.4
183.06509	9.1
189.16382	2.5
191.14301	2.5
201.07556	5.0
203.17935	2.5
245.06073	2.4
245.22583	14.9
261.22141	2.5
263.23685	31.5
305.24628	2.9
329.24728	2.6
337.27344	100.0
338.27591	2.4
353.24902	3.7
365.26758	3.1
371.25974	5.6
389.27045	2.7
421.29843	2.8
442.59503	2.5
445.29163	3.4
463.30472	4.6
481.31348	6.7
499.32550	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	499.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79088	1.3
54.46738	1.4
56.22716	1.3
56.96576	6.7
64.89569	1.4
70.13312	6.5
81.03416	2.3
82.99828	1.8
85.02876	2.1
88.66325	1.5
97.02871	3.0
98.20790	1.3
98.97585	10.4
101.00870	8.8
103.02438	3.5
105.00387	1.8
109.02855	1.3
110.97610	2.1
113.00846	2.7
113.54018	1.4
116.98625	8.2
119.01921	34.4
120.01963	1.7
121.03434	2.7
127.02364	8.1
127.03926	2.0
128.98578	3.8
131.00102	2.3
131.01895	15.4
133.03467	2.6
134.99615	1.9
137.02925	4.9
139.02362	2.7
142.03519	1.7
143.00127	1.6
143.01866	20.3
145.03461	52.7
146.99605	3.8
147.01366	3.0
149.01167	2.4
149.02972	3.8
155.01886	24.3
157.03461	20.2
158.99646	2.5
159.04942	1.8
161.01198	3.9
161.02950	30.0
163.04588	8.4
167.01906	9.2
168.04967	1.5
169.03456	4.0
170.99646	1.9
171.01393	5.5
171.04997	4.7
173.02962	53.4
175.04523	5.4
177.00674	2.7
179.01886	4.3
181.03424	2.3
184.04494	2.5
185.02954	46.8
187.02930	1.4
187.04523	6.2
189.00677	3.8
189.02429	9.8
191.02222	1.8
191.04001	3.4
193.00211	2.4
193.01949	1.5
196.04616	2.2
197.02957	17.0
199.00854	4.3
199.04552	4.4
201.00685	7.1
201.02411	2.6
201.06007	1.6
203.03998	12.9
208.04546	3.2
209.02924	2.8
215.03981	11.6
216.99866	3.1
217.01932	53.2
217.05240	2.4
218.02043	2.1
219.01738	8.1
221.05005	6.5
227.04057	9.3
229.01961	8.3
235.03003	27.7
237.02820	5.9
240.03445	1.6
243.01862	1.4
245.05070	100.0
246.05246	4.6
247.02858	12.2
247.06741	3.0
253.04034	2.0
257.05115	11.7
258.04636	5.2
259.06741	1.8
261.02863	11.4
263.06094	13.2
265.04065	2.1
265.26898	1.7
275.06085	13.4
277.04028	19.3
279.03946	4.2
286.07635	1.7
291.03809	2.6
293.07159	3.2
301.04080	11.5
302.05103	1.6
305.07147	10.1
317.06873	1.7
319.05087	25.3
320.05042	2.3
321.04950	4.2
335.08173	4.1
337.06137	26.2
347.19824	1.5
365.09317	8.5
367.09076	1.9
393.29868	1.4
499.11301	23.8
522.05389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	20.8
60.29248	1.4
63.50715	1.5
69.03429	2.1
69.66553	13.0
81.03388	2.1
84.19161	1.4
84.96017	4.8
85.01363	1.4
85.02889	6.0
85.93910	1.4
87.96095	1.5
97.02880	3.8
98.20772	2.1
98.97577	39.9
100.99136	2.0
101.00868	12.8
103.02424	2.0
109.02874	2.3
110.97559	12.9
112.99134	4.9
113.00847	4.0
116.98611	21.2
119.01910	31.7
121.03455	2.3
127.02415	7.3
127.03913	2.3
128.56056	1.5
128.98599	15.8
131.00160	7.9
131.01906	20.3
133.03418	4.5
134.99649	7.5
137.02972	3.7
139.02448	2.0
140.98624	4.0
143.00150	5.2
143.01894	22.7
143.72449	1.9
145.01723	2.7
145.03470	51.4
146.99644	11.3
147.01390	2.9
147.03152	1.5
149.01190	4.8
149.02892	5.5
151.04585	2.1
155.01878	27.3
156.98125	3.8
157.01678	3.6
157.03471	21.7
158.99615	15.5
159.04997	1.9
161.01221	11.1
161.02945	30.3
162.03137	1.7
163.02673	1.9
163.04419	6.9
165.00708	2.6
167.01868	9.9
169.03423	3.2
170.99635	11.7
171.01376	7.2
171.05022	6.6
173.01378	4.0
173.02953	56.6
174.03043	2.0
174.99158	17.8
175.02736	4.8
175.04492	8.2
177.00743	15.1
179.01949	2.5
182.99628	5.8
184.04550	2.3
185.02948	53.3
187.03001	2.0
187.04527	8.5
189.00697	13.6
189.02435	9.7
189.04071	1.9
191.02315	3.5
191.04059	4.8
193.00197	28.9
193.03806	3.5
197.02969	16.1
199.00800	5.1
199.02742	3.1
199.04543	4.5
201.00719	31.8
201.02400	3.0
203.02277	3.7
203.03990	18.0
205.05539	2.2
207.01724	2.3
209.03001	3.7
211.01170	3.0
211.04611	2.1
213.00679	3.1
215.04066	10.6
217.00113	9.9
217.01952	50.4
217.03741	2.0
217.05548	5.7
219.01747	32.7
221.05083	6.6
225.02541	2.4
227.03981	12.3
229.01912	14.6
229.05682	2.7
231.01770	5.4
235.01102	6.7
235.03098	19.9
235.05026	3.7
237.02846	20.2
237.22092	1.6
239.04077	1.6
241.01794	1.8
243.01726	9.7
245.05077	100.0
246.05251	3.4
247.03078	8.4
247.04915	2.1
249.08188	2.1
255.03822	2.8
257.05051	15.0
261.02786	35.9
263.06149	12.9
265.06113	2.4
273.02798	2.5
275.06177	17.0
277.04172	15.3
279.03851	19.3
291.03894	7.1
291.09171	7.7
293.07248	4.0
301.04117	11.1
305.07162	11.3
307.03668	1.9
307.07031	6.0
311.06699	2.5
319.05313	21.6
320.05194	1.8
321.04919	17.8
321.08838	2.0
321.09933	1.9
325.08105	1.9
333.04922	2.5
335.08286	5.5
337.06064	20.1
338.06360	2.1
349.07925	1.9
351.06131	4.0
351.11227	2.3
355.08957	3.2
363.06003	1.7
365.09167	9.8
367.09293	2.0
381.07068	2.2
399.08057	3.7
421.10138	3.1
439.12543	3.3
481.08463	4.8
499.11038	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	498.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01619	1.2
55.01868	13.3
55.05496	3.2
55.85765	1.0
58.06583	2.8
67.05489	1.4
70.06581	4.0
71.04995	1.8
71.44846	2.7
72.20848	1.0
79.05486	5.2
80.94187	1.0
81.07044	4.5
83.04997	1.6
84.08162	1.7
85.02895	5.8
86.09716	0.9
91.05462	4.5
93.07042	11.3
94.93327	1.0
95.04932	1.3
95.08591	1.6
97.02878	3.1
97.10157	3.0
100.11245	2.2
100.44788	1.2
105.06992	1.3
106.39169	1.2
107.04990	1.4
107.08598	17.3
109.02887	1.1
111.04395	2.4
117.07009	3.4
125.09621	55.7
127.03920	2.1
133.04993	2.2
135.08044	9.3
137.05960	2.0
145.02888	1.2
153.09094	100.0
154.09422	1.6
160.09717	1.7
163.03880	1.3
169.04959	1.3
177.05437	1.3
181.08580	35.1
199.09639	24.8
209.11736	1.2
210.14789	1.6
221.89529	1.0
244.97641	1.4
267.12195	5.5
285.13293	11.7
295.11768	18.0
303.78598	1.2
313.09311	2.0
313.12817	34.7
314.12946	1.3
324.05817	2.2
331.13870	2.1
334.39581	1.3
336.13977	1.2
336.17743	1.6
364.87918	1.1
399.16803	1.1
427.15839	5.5
445.17258	10.8
498.15469	1.6
498.36035	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	498.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01619	1.2
55.01868	13.3
55.05496	3.2
55.85765	1.0
58.06583	2.8
67.05489	1.4
70.06581	4.0
71.04995	1.8
71.44846	2.7
72.20848	1.0
79.05486	5.2
80.94187	1.0
81.07044	4.5
83.04997	1.6
84.08162	1.7
85.02895	5.8
86.09716	0.9
91.05462	4.5
93.07042	11.3
94.93327	1.0
95.04932	1.3
95.08591	1.6
97.02878	3.1
97.10157	3.0
100.11245	2.2
100.44788	1.2
105.06992	1.3
106.39169	1.2
107.04990	1.4
107.08598	17.3
109.02887	1.1
111.04395	2.4
117.07009	3.4
125.09621	55.7
127.03920	2.1
133.04993	2.2
135.08044	9.3
137.05960	2.0
145.02888	1.2
153.09094	100.0
154.09422	1.6
160.09717	1.7
163.03880	1.3
169.04959	1.3
177.05437	1.3
181.08580	35.1
199.09639	24.8
209.11736	1.2
210.14789	1.6
221.89529	1.0
244.97641	1.4
267.12195	5.5
285.13293	11.7
295.11768	18.0
303.78598	1.2
313.09311	2.0
313.12817	34.7
314.12946	1.3
324.05817	2.2
331.13870	2.1
334.39581	1.3
336.13977	1.2
336.17743	1.6
364.87918	1.1
399.16803	1.1
427.15839	5.5
445.17258	10.8
498.15469	1.6
498.36035	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	497.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.5
57.03439	6.2
61.19352	3.9
65.03943	4.7
67.05502	28.2
69.03429	4.7
69.07068	16.7
69.41315	37.8
75.04491	31.7
79.05492	39.3
81.07056	100.0
81.14838	4.5
83.08617	10.9
91.05464	35.3
93.07043	68.0
95.04971	15.0
95.08604	64.9
97.06500	6.7
98.20726	8.5
103.05456	4.4
105.06371	8.0
105.07028	82.9
107.08593	96.7
109.06525	14.2
109.10147	42.6
111.08045	4.5
117.05501	26.2
117.07017	18.6
119.08570	75.6
121.06487	6.6
121.10145	56.2
123.08084	10.3
123.11696	11.0
125.09667	4.7
128.06198	5.1
129.06996	9.4
130.07785	5.8
131.08572	41.7
133.10130	49.1
135.08055	7.9
135.11693	16.2
137.09595	4.7
142.07808	6.6
143.08562	20.4
144.09363	7.8
145.10115	67.5
147.08041	5.2
147.11688	45.8
149.09679	8.7
149.13240	19.6
151.11101	4.4
153.01804	5.4
157.10161	26.2
159.07985	6.7
159.11687	76.7
161.09604	20.8
161.13297	37.8
163.11157	13.0
163.14850	25.0
169.10115	7.7
171.11702	15.5
173.09692	4.5
173.13243	27.9
175.09700	4.0
175.11267	11.3
175.14880	15.3
177.12776	7.3
179.14346	5.3
183.11661	11.5
185.13240	13.1
187.14853	15.8
189.12683	11.3
189.16406	15.0
191.14247	5.7
197.13271	8.7
199.14832	26.6
201.12659	6.8
201.16360	74.6
203.14375	10.9
203.17909	24.5
205.16081	4.9
209.13269	6.0
211.14851	5.0
213.16388	10.2
215.14340	9.8
215.18015	4.6
217.15883	70.8
219.17401	14.4
241.19582	5.0
253.19601	5.6
401.32053	11.1
419.33017	27.3
437.34198	5.2
461.34341	4.7
462.09744	5.4
479.35330	25.0
497.17987	5.4
497.29770	7.5
497.36304	82.0
512.44958	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	497.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01864	9.2
55.05510	29.2
57.03432	31.0
57.07064	7.4
61.02933	61.4
67.05504	95.4
69.03427	38.1
69.07058	25.8
69.51011	33.9
71.01350	5.8
71.04981	12.9
73.02927	34.4
79.05493	80.1
81.03421	31.8
81.07053	100.0
83.04984	12.4
83.08614	13.1
85.02901	67.9
85.06534	8.6
90.78744	3.5
91.03961	37.5
91.05485	67.2
93.06474	6.3
93.07042	76.7
94.07366	4.1
95.04976	18.7
95.08597	77.8
97.02382	4.5
97.02898	51.3
97.06512	11.6
97.10152	7.4
99.04425	6.5
101.02368	8.4
103.03945	5.8
103.05433	4.3
105.07034	56.2
107.04944	9.6
107.08586	48.0
109.02867	8.9
109.06498	10.7
109.10156	30.8
111.04407	5.9
115.03883	5.7
117.07015	31.2
119.08565	39.9
121.06541	8.4
121.10143	36.2
122.32660	4.9
123.07987	6.4
123.11688	10.2
125.09574	4.8
127.03897	17.0
128.06155	4.8
128.07736	3.7
129.05489	6.1
129.06960	21.1
131.08539	40.8
133.06497	9.8
133.10118	29.6
135.08044	8.4
135.11696	24.9
137.13194	6.1
141.06958	6.0
143.08560	18.2
145.04997	5.2
145.06462	5.5
145.10110	30.9
147.08055	8.8
147.11674	19.5
149.09630	10.4
149.13243	17.2
151.14900	4.8
153.01877	4.7
155.08479	8.4
157.10118	13.6
159.08026	5.0
159.11725	21.1
161.09608	5.2
161.13261	14.3
163.11156	6.8
163.14868	9.0
167.08572	5.7
169.10094	11.4
171.08037	7.1
171.11630	9.6
173.09688	7.1
173.13257	16.5
175.11182	5.0
175.14801	12.1
177.12830	6.0
181.10201	6.7
183.11667	7.5
185.09665	6.7
185.13280	11.4
187.11276	4.8
187.14862	6.4
189.12791	7.6
197.13310	5.6
199.14716	6.4
201.16437	4.8
213.16383	4.4
233.15625	5.0
243.21141	14.8
247.16917	4.6
259.20438	6.4
261.22061	26.9
273.22134	8.0
275.23535	5.9
285.22089	8.8
301.21494	6.3
303.23193	15.1
315.23251	8.1
317.24683	12.2
327.23184	8.5
333.24307	5.4
335.25812	42.6
341.24500	7.2
345.24139	5.0
351.22940	9.0
369.24356	23.3
377.26825	13.1
387.25043	9.2
389.26877	7.0
405.26431	5.3
413.26733	4.6
419.27731	8.8
431.27774	9.6
443.28058	45.0
461.29135	23.4
479.30255	22.0
497.31067	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.23
Annotation	EI-1625-2
Peak:m/z	Relative Intensity
67.05493	4.4
71.53426	6.1
71.53805	4.6
79.05505	3.4
81.07028	6.1
85.84380	3.3
91.05470	4.7
93.07029	6.1
95.08600	3.4
97.02871	3.3
97.06524	3.1
105.07008	3.3
105.47138	2.6
109.10160	3.0
112.98913	3.4
119.08625	2.6
121.10111	4.3
126.72680	3.2
131.08537	3.0
133.10120	3.1
170.52066	3.1
183.11778	3.4
190.88214	3.3
220.83681	3.1
234.24548	3.4
345.10870	5.5
392.32813	3.3
497.23013	100.0
497.30331	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.6
55.01871	9.1
55.05511	21.4
56.88558	3.2
57.03436	41.6
61.02927	64.6
65.03935	5.6
67.05503	94.6
69.03430	47.8
69.07063	19.6
71.01347	6.9
71.04975	8.9
71.62685	3.8
71.63017	4.7
73.02918	31.0
75.04522	4.3
79.05489	51.0
81.03427	31.5
81.07053	100.0
81.07531	5.8
83.04974	13.6
83.08625	10.9
85.02909	71.8
89.46503	3.1
91.03954	43.8
91.05476	50.3
93.07043	64.6
95.04973	14.3
95.08604	75.8
95.09176	6.6
97.02892	58.3
97.06552	8.0
97.10123	4.7
99.04459	18.9
101.02367	14.6
103.03955	15.6
105.07024	31.8
107.04932	3.8
107.08590	38.9
109.02908	17.3
109.06520	8.0
109.10161	37.4
115.03919	9.1
117.05504	3.8
117.07024	18.5
117.09345	3.6
119.08581	22.2
121.06526	4.0
121.10144	40.8
123.08042	6.8
123.11732	15.7
124.88010	4.4
127.03906	27.3
129.05508	5.9
129.06992	7.4
131.08566	24.8
133.06581	3.3
133.10129	20.3
135.04462	3.5
135.11688	24.2
137.13235	5.8
137.58203	3.9
141.05443	4.6
143.08575	5.1
145.04987	7.2
145.10132	16.8
147.11719	16.0
149.13223	16.2
155.08575	4.6
157.10158	9.4
159.11681	18.3
161.09575	4.2
161.13258	10.8
163.11160	4.1
163.14882	4.3
173.13248	16.3
175.14804	6.4
177.16316	4.9
183.06529	6.7
185.13287	5.0
187.14775	5.6
189.16438	3.6
211.14815	3.8
238.17358	3.4
243.21147	5.2
261.22220	25.5
335.25800	86.1
351.22842	4.4
387.25281	7.6
405.26474	7.9
461.29068	3.8
479.29691	5.1
497.30795	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.3
57.07071	0.9
58.06614	0.5
60.08162	6.2
61.02524	0.2
62.77483	0.2
67.05492	0.4
71.07371	2.9
71.08624	0.5
71.19881	0.5
76.44454	0.2
79.05492	0.3
81.07062	0.7
86.09701	30.3
87.10059	0.3
91.05471	0.3
93.07012	0.3
95.08604	0.5
98.98460	3.0
100.29670	0.2
104.10742	2.7
109.10282	0.2
124.99998	22.0
133.10106	0.3
143.01035	0.3
159.11641	0.3
166.02620	0.2
184.07332	100.0
185.07686	1.0
188.88341	0.3
258.10986	0.4
281.57358	0.3
313.27402	0.4
416.37137	0.3
478.32806	1.0
496.34265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14194	4.5
51.85057	5.0
52.24629	4.4
55.05498	14.1
55.73417	4.8
56.34911	5.8
57.07072	11.5
67.05495	30.3
69.07069	29.5
69.47990	50.3
79.05474	26.5
81.07050	100.0
83.08624	7.9
91.05473	38.9
93.07021	31.8
95.08606	75.8
97.10151	5.8
98.20699	10.1
102.67197	4.8
105.07022	58.5
107.08595	26.4
109.10166	45.6
111.11738	6.1
115.05480	5.1
117.07001	16.7
119.08542	31.9
119.90982	5.3
121.10136	20.2
123.11699	15.8
129.06992	10.5
131.08551	35.0
133.10136	22.3
135.11681	6.5
136.51590	5.3
137.13235	9.9
141.06973	6.1
143.08556	10.9
145.10078	24.1
147.11693	14.1
149.13239	10.1
152.82520	5.4
155.08530	10.4
157.10123	21.2
159.11658	63.1
161.13269	27.9
163.14810	7.5
169.10095	9.7
171.11641	9.9
173.13290	12.2
183.11617	12.3
185.13248	10.9
187.14879	6.4
191.10701	8.5
195.11681	8.0
197.13219	9.4
199.15068	6.5
211.14758	8.4
227.17979	7.5
229.19492	7.1
265.19330	5.9
389.31958	6.6
433.29135	5.1
435.32391	14.5
444.38727	6.0
495.39658	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	496.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.04426	0.4
55.01863	0.8
57.03432	2.9
61.02930	3.2
64.86173	0.4
67.63428	0.4
69.03426	9.0
70.23966	2.2
71.01383	0.7
71.04986	1.3
72.29606	0.4
73.02900	1.4
81.03423	3.4
81.20578	0.5
85.02904	35.1
86.62856	0.5
89.76090	0.5
91.03918	0.9
91.05477	12.1
95.08530	0.5
97.02893	6.5
98.21414	0.6
99.04435	2.3
101.02382	0.9
103.03940	1.5
109.02886	3.1
109.06502	0.5
119.04932	6.9
123.04451	0.4
125.92208	0.4
127.03910	12.2
129.07037	0.7
137.05972	100.0
138.06299	1.3
145.04947	12.1
151.07565	0.9
155.05119	0.6
155.07028	13.9
157.06476	0.5
161.05951	0.6
163.06013	16.8
165.05414	0.8
167.07005	0.6
171.55055	0.5
173.05983	0.7
179.07016	2.2
180.08621	1.0
181.06956	0.8
190.60884	0.5
193.64908	0.5
203.07072	1.3
217.08577	0.8
221.08110	1.6
245.08078	1.3
263.09137	3.2
281.10342	1.2
290.84891	0.5
317.12341	0.5
325.11142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05489	0.6
56.05026	1.2
57.03422	0.5
57.07069	2.6
58.06563	1.4
59.07375	0.4
60.08158	16.7
62.96013	0.1
63.08503	0.1
67.05482	0.6
69.07056	0.5
70.06578	0.2
70.36121	0.8
71.07370	5.8
71.08627	1.9
81.07050	0.9
83.08613	0.4
85.10178	1.1
86.09698	47.8
87.10042	0.3
95.08594	1.1
97.10220	0.2
98.21375	0.2
98.98456	3.6
104.10734	100.0
105.11060	0.7
109.10157	0.5
124.99992	27.3
143.01047	0.4
163.01582	0.5
175.29865	0.2
181.02620	0.2
181.37987	0.2
184.07323	95.1
185.07628	0.8
190.55798	0.2
258.11063	1.3
261.81030	0.2
309.85120	0.2
313.27335	1.9
419.25314	0.4
468.26172	0.2
478.32901	8.8
479.33102	0.4
496.33948	26.2
497.34497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29329	1.6
53.03939	5.6
55.01864	6.5
55.05515	33.7
57.03440	22.7
58.99411	1.8
59.05014	2.4
64.50401	1.6
64.83099	1.6
65.03932	2.8
66.10102	1.9
66.65777	1.6
67.05504	45.3
69.03436	9.3
69.07076	13.4
70.06596	3.1
71.04996	12.8
71.63647	2.6
73.12910	1.7
79.05492	50.7
81.03419	98.0
81.07059	60.4
83.04981	20.1
83.08622	44.1
85.02906	54.7
85.06548	4.9
91.05485	58.0
93.07043	37.9
95.04971	52.4
95.08604	17.1
97.02895	6.4
97.06517	11.6
97.10170	9.1
98.09758	1.8
99.08086	2.3
100.11253	2.9
103.05504	2.4
105.07028	43.3
107.04958	12.8
107.08601	18.5
108.17025	1.7
109.02961	2.1
109.06524	14.7
109.10173	7.6
111.04442	7.7
111.08085	18.3
113.06001	4.7
115.05444	4.6
117.07020	7.8
119.04927	1.6
119.08589	32.9
119.09352	1.4
121.06532	8.3
121.10143	16.1
123.08076	6.8
123.11768	3.2
125.06067	1.9
125.09640	6.4
128.06255	2.3
129.07010	20.5
131.08569	23.0
133.06540	9.1
133.10136	21.3
135.08110	2.6
135.11784	2.5
137.06065	1.9
137.09590	5.8
142.07797	6.0
143.08618	2.6
145.10188	4.8
147.08051	7.4
147.11679	22.7
149.09587	11.1
153.01781	1.7
157.10123	23.1
163.03951	1.9
163.11111	3.2
165.12781	7.4
169.10153	1.7
175.11212	24.4
187.14738	1.8
191.03401	13.7
193.12250	87.3
210.15009	2.3
211.13301	100.0
212.13615	3.6
219.13860	4.5
259.09698	2.5
259.15616	2.6
267.15997	6.4
285.17108	2.7
286.10831	2.3
287.05573	10.9
293.17496	2.4
367.22980	2.4
385.23514	4.2
403.24316	2.2
451.27097	2.1
459.27081	3.5
477.28458	9.1
495.29544	80.2
496.29706	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05507	24.4
57.03431	15.8
57.07054	0.8
59.04994	1.6
59.65427	0.7
60.57350	0.6
65.03934	2.8
67.05497	37.6
69.03419	7.2
69.07059	11.7
70.77561	1.7
70.77922	1.4
71.04987	7.7
74.56162	0.7
77.03934	1.1
79.05486	40.4
81.03410	100.0
81.07047	46.3
82.03764	0.7
82.07352	1.1
83.04974	19.5
83.08611	34.9
85.02896	52.3
85.06522	3.9
87.04475	0.8
91.05473	55.0
92.05832	0.7
93.07037	27.1
95.04961	44.4
95.08029	1.2
95.08596	15.9
97.02875	4.6
97.06506	6.0
97.10168	7.7
99.04425	0.9
99.08112	1.3
99.94805	0.7
103.05498	1.0
105.04477	1.1
105.07021	38.8
106.07359	0.9
107.04950	9.7
107.08582	12.3
109.06506	7.1
109.10153	4.9
111.04426	4.6
111.08070	18.4
113.06006	4.5
115.05445	3.0
116.06276	1.0
117.06995	3.3
119.04916	1.8
119.08572	31.2
121.06478	2.2
121.10143	14.4
122.67049	0.8
123.08058	3.6
123.11684	2.3
125.09638	3.7
127.07554	1.2
128.06232	1.2
129.06996	17.9
131.08545	18.5
132.89716	0.7
133.06482	5.4
133.10117	13.9
135.08038	0.8
135.11685	0.9
137.09615	3.3
142.07753	5.2
145.10091	2.4
147.08044	4.1
147.11671	23.5
149.09615	10.5
151.11192	1.2
157.10112	19.6
163.11220	1.0
165.12762	4.7
175.11166	21.3
189.11180	1.2
193.12230	90.1
194.12775	1.5
211.13275	94.9
212.13632	1.9
267.15891	6.5
285.16977	4.0
296.10553	0.7
340.52881	0.8
349.21234	0.8
359.22025	1.3
367.22626	1.1
383.27713	0.7
385.23532	1.8
403.24753	1.6
453.35159	0.7
459.27264	3.0
477.28455	4.7
495.29510	73.6
496.29556	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
53.03942	5.4
55.01868	5.7
55.05508	25.2
57.03231	1.2
57.03438	15.4
57.40682	1.5
61.02903	1.6
65.03939	1.8
67.05504	42.4
69.03420	8.5
69.07067	9.3
69.78476	3.9
69.78901	5.5
70.90617	1.5
71.04995	7.8
73.06515	1.7
79.05492	37.2
80.05779	1.7
81.03414	88.7
81.07055	49.4
83.04979	16.1
83.08620	36.3
85.02903	50.6
85.03426	2.5
85.06545	4.6
91.05482	51.8
93.07044	31.5
95.04964	37.6
95.08606	17.5
97.02890	3.6
97.06525	9.0
97.10172	5.8
99.08109	2.3
101.99838	1.7
105.07024	39.6
107.04966	10.9
107.08595	12.2
109.06485	7.3
109.10129	7.7
111.04447	6.1
111.08085	19.5
113.06014	4.2
115.05468	3.4
117.07045	5.3
118.53220	1.3
119.08569	31.5
121.06483	4.4
121.10144	15.2
123.08046	3.7
123.11732	3.9
125.09625	3.7
128.06250	2.6
129.05539	2.0
129.07008	18.4
131.08562	16.7
133.06493	4.0
133.10118	16.3
135.11690	1.9
137.09589	1.9
142.07791	4.9
145.10147	5.3
147.08058	4.7
147.11687	20.8
149.09631	8.0
157.10104	18.2
163.11186	2.9
165.12787	4.2
171.11748	2.2
175.11188	27.3
193.12239	87.0
201.98550	1.5
203.16972	1.7
211.13287	100.0
212.13773	1.5
227.12852	2.0
267.15897	7.0
270.49124	1.6
285.17026	3.5
289.64301	1.5
320.90097	1.6
385.23547	1.7
394.83118	1.6
442.50671	1.7
453.73560	1.5
459.27386	4.7
477.28421	8.4
495.29550	71.8
496.30026	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	13.3
55.01863	9.7
55.05508	36.6
57.03435	56.0
58.11109	3.9
61.02921	57.2
67.05499	77.4
69.03419	46.3
69.07063	31.7
71.01344	9.1
71.04972	11.4
71.07652	7.7
71.07985	6.2
73.02915	34.4
75.04485	7.4
77.78866	4.2
79.05488	74.5
81.03411	38.9
81.07048	85.1
83.04970	15.2
83.08599	15.1
85.02898	69.3
85.06516	7.0
91.03959	36.3
91.05469	99.6
93.07040	92.0
95.04952	20.0
95.08601	53.6
97.02886	52.2
97.06511	7.8
97.10177	7.0
99.04447	12.3
101.02384	11.8
103.03931	12.0
105.07025	100.0
107.04956	10.5
107.08600	59.5
109.02822	8.0
109.06532	10.2
109.10144	18.7
111.04415	12.0
111.08023	4.9
115.03867	8.2
115.05435	8.9
117.07019	50.4
119.04885	4.5
119.08569	65.6
121.06476	9.9
121.10120	49.8
127.03918	21.4
129.05481	7.1
129.07004	37.5
131.08542	68.7
133.06447	11.1
133.10121	56.4
135.08022	9.4
135.11688	36.5
137.09651	4.7
141.06985	11.7
142.07811	8.2
143.08560	39.3
145.04936	7.0
145.06499	10.4
145.10120	58.6
147.08025	10.1
147.11650	42.0
149.09634	8.0
149.13255	18.3
149.94696	4.4
155.07307	4.4
155.08507	25.5
157.10086	32.9
159.08026	12.5
159.11711	40.7
161.09578	9.6
161.13254	23.8
163.11159	6.9
169.06419	4.6
169.10089	18.8
171.08012	11.4
171.11639	23.5
173.09633	11.1
173.13300	30.1
175.11183	8.0
175.14865	9.4
177.12735	6.8
179.08649	5.5
181.10063	10.4
183.11656	15.9
185.13199	27.5
187.11162	11.1
187.14793	9.0
189.12767	8.7
195.11690	9.0
197.09561	7.2
197.13295	12.5
199.11157	7.6
199.14790	12.2
201.12639	11.2
203.14345	5.1
211.14818	9.0
213.16417	9.2
215.14165	5.6
227.14349	5.5
230.92587	4.7
239.17876	5.5
241.19438	15.7
251.14127	5.0
253.19563	6.0
257.19028	9.8
259.20557	27.0
269.19104	5.8
271.20575	10.5
275.19980	7.2
277.21848	6.7
283.20547	7.8
287.20020	4.8
289.21683	5.5
301.21582	23.2
313.21582	13.9
315.23129	9.1
315.77936	4.6
321.22055	5.4
325.21698	10.4
331.22781	6.1
333.24173	63.2
339.23300	7.3
343.22626	6.7
345.24225	9.2
349.21396	13.2
361.23856	6.9
363.25583	4.8
367.22586	26.2
375.25299	14.2
385.10507	4.4
385.23615	13.2
387.25107	9.0
403.24594	14.3
417.26346	9.7
429.26398	22.8
441.26370	47.6
459.27377	38.9
477.28409	37.7
495.29514	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01876	7.2
55.05498	1.4
57.03436	5.5
57.84786	0.6
57.93977	0.6
59.71246	0.6
61.02924	3.9
63.57165	0.6
65.77107	0.6
67.05492	1.8
67.81467	0.7
68.99780	3.6
69.03429	32.1
69.07051	0.9
70.76240	2.1
71.01328	0.9
71.04998	5.7
73.02911	8.2
79.05482	2.7
81.03415	33.5
81.07036	3.1
85.02901	47.8
87.00829	22.6
91.03935	1.4
91.05472	4.9
93.07068	3.2
95.04976	1.8
95.08598	1.5
97.02883	18.5
99.04449	11.1
103.03927	1.2
105.01859	11.9
105.07027	9.0
107.08590	1.7
109.02882	27.9
109.06496	1.1
115.03925	2.3
115.05431	2.6
117.01888	3.6
117.07032	3.4
119.08590	3.3
121.06507	1.2
127.03909	39.9
128.06230	4.7
129.01776	3.8
129.07007	7.6
131.08568	9.2
131.38756	0.6
133.06490	1.0
133.10126	0.9
141.06992	5.8
142.07776	28.0
143.08553	16.7
144.09334	3.3
145.04953	12.0
145.06435	2.7
145.10121	5.5
147.02893	1.8
153.01897	0.9
153.07005	3.6
154.07730	2.2
155.08546	12.1
156.09344	4.6
157.10124	100.0
158.10780	2.5
159.02873	13.2
159.08069	2.9
159.11699	15.2
165.06953	2.0
165.09102	1.2
166.07840	1.5
167.08553	1.9
168.09349	10.5
169.10130	10.5
170.10847	1.9
171.08080	1.1
171.11693	9.1
173.06015	1.2
173.09645	1.8
173.13232	5.6
175.11266	1.7
178.07828	0.8
179.08582	1.0
180.09288	1.0
181.10121	5.8
182.10974	0.6
183.08109	0.8
183.11688	22.9
184.08833	1.3
185.09660	2.4
185.13257	20.3
186.10445	1.0
187.07588	1.2
187.11205	7.7
189.09097	0.8
192.09303	1.0
193.10126	2.2
195.11751	2.5
196.08856	1.0
197.09662	2.4
197.13269	1.4
199.11185	14.1
201.09090	1.0
201.12724	7.8
203.14452	1.2
204.09419	0.8
207.11670	2.2
209.13217	1.1
211.11198	6.4
213.03943	1.5
213.12723	1.5
215.10657	1.6
216.09334	0.8
217.12244	12.1
223.11278	1.1
225.12665	0.8
227.10651	1.4
229.12231	27.3
231.04939	5.3
231.13722	4.3
233.11760	1.4
235.11044	1.0
241.12282	1.6
245.11667	3.9
247.13297	53.2
253.12285	1.1
259.13370	1.3
271.13287	1.3
289.14429	4.0
405.15164	3.6
409.18384	0.8
413.15445	0.8
415.17685	0.9
421.18637	0.8
433.18573	1.6
447.16370	1.7
449.18121	0.8
451.19556	3.4
459.16412	1.2
477.17639	4.0
495.18567	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	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48157	0.3
55.05504	0.8
56.05025	0.7
57.03418	0.4
57.07060	0.3
58.06600	0.6
60.07880	0.4
60.08164	6.3
67.05500	1.4
69.07050	0.7
69.59650	2.0
70.06583	0.6
71.07365	3.1
79.05494	0.9
80.31377	0.2
81.03397	0.4
81.07074	1.5
81.83434	0.3
82.00632	0.3
83.08614	0.4
86.09705	30.5
88.07612	0.6
90.00822	0.2
91.05474	0.7
93.07043	1.0
95.08586	0.8
97.06561	0.4
98.21517	0.3
98.98450	2.4
102.09165	0.3
104.10735	2.8
105.07037	0.6
107.08581	0.9
109.10194	0.4
113.92326	0.3
121.10141	0.6
125.00003	21.7
131.08580	0.3
143.01071	0.4
149.02321	1.2
184.07339	100.0
185.07707	0.4
193.04956	1.4
237.07593	1.4
284.29492	1.0
303.76163	0.3
311.25659	0.3
373.26202	0.3
476.31265	0.7
494.34052	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.05482	7.9
64.17249	3.4
67.05493	5.3
68.82993	2.6
69.03423	15.1
69.07056	23.6
70.06577	16.3
71.04997	6.6
71.06988	3.3
71.63444	7.8
76.90635	2.7
79.05476	5.4
81.03399	11.9
81.07035	9.9
83.04993	4.2
84.04474	3.3
84.08130	9.7
85.02897	25.7
86.09695	11.8
87.00810	12.6
91.05458	11.8
93.07030	9.0
95.04988	3.4
95.08598	30.1
97.02879	13.4
97.06508	5.9
99.04440	4.4
99.08117	5.3
105.01867	11.2
105.07011	13.1
107.08600	18.5
109.02888	9.6
109.06509	3.1
109.10159	16.1
111.08153	4.4
112.10435	3.1
119.08584	41.9
120.08083	9.1
121.10114	11.7
123.11707	8.1
125.09635	20.0
127.03897	17.8
128.04326	3.6
129.10202	3.9
133.04990	3.4
133.10109	51.8
135.11676	28.0
136.07544	4.3
137.06042	3.7
137.09627	15.6
145.04965	8.9
145.09988	2.9
147.04430	5.7
159.02936	3.3
163.03876	5.3
167.07005	3.3
173.13069	4.5
175.14819	100.0
192.24350	3.3
193.15883	38.2
200.97824	2.8
203.10959	3.7
211.17004	16.3
226.15402	3.3
271.75952	3.5
472.54950	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.05482	7.9
64.17249	3.4
67.05493	5.3
68.82993	2.6
69.03423	15.1
69.07056	23.6
70.06577	16.3
71.04997	6.6
71.06988	3.3
71.63444	7.8
76.90635	2.7
79.05476	5.4
81.03399	11.9
81.07035	9.9
83.04993	4.2
84.04474	3.3
84.08130	9.7
85.02897	25.7
86.09695	11.8
87.00810	12.6
91.05458	11.8
93.07030	9.0
95.04988	3.4
95.08598	30.1
97.02879	13.4
97.06508	5.9
99.04440	4.4
99.08117	5.3
105.01867	11.2
105.07011	13.1
107.08600	18.5
109.02888	9.6
109.06509	3.1
109.10159	16.1
111.08153	4.4
112.10435	3.1
119.08584	41.9
120.08083	9.1
121.10114	11.7
123.11707	8.1
125.09635	20.0
127.03897	17.8
128.04326	3.6
129.10202	3.9
133.04990	3.4
133.10109	51.8
135.11676	28.0
136.07544	4.3
137.06042	3.7
137.09627	15.6
145.04965	8.9
145.09988	2.9
147.04430	5.7
159.02936	3.3
163.03876	5.3
167.07005	3.3
173.13069	4.5
175.14819	100.0
192.24350	3.3
193.15883	38.2
200.97824	2.8
203.10959	3.7
211.17004	16.3
226.15402	3.3
271.75952	3.5
472.54950	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01722	1.8
51.76863	1.7
55.01875	1.6
55.05505	8.3
55.07804	1.5
57.03412	2.5
57.07074	2.3
67.05499	8.2
67.21805	1.4
69.03416	6.2
69.07066	19.7
70.06572	7.6
70.10476	1.5
71.04978	1.8
71.60139	3.2
72.08154	1.7
74.23146	1.5
79.05517	2.4
81.03399	2.2
81.07035	7.5
83.04967	2.4
83.08606	2.1
84.04507	1.9
84.08118	2.8
85.02909	10.3
86.09698	2.8
87.00823	4.1
91.05477	4.1
93.07045	6.7
95.08599	25.8
97.02872	4.6
99.04433	4.6
105.01856	6.0
105.07030	8.3
107.08583	11.1
109.02866	3.5
109.10148	18.1
111.08076	3.1
119.08569	33.8
120.08088	2.7
121.10128	8.1
123.08041	2.5
123.11708	4.6
125.09626	8.7
127.03921	6.7
133.10114	39.6
135.11685	13.5
137.09605	22.4
145.04932	4.0
145.10120	2.6
147.04362	2.4
147.11690	7.1
149.13249	3.6
151.14810	4.5
163.03891	1.5
175.14813	100.0
193.15858	61.7
205.34904	1.5
211.16977	5.5
494.18982	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
56.42731	0.1
65.03909	0.2
69.03414	0.2
69.85967	1.0
70.06585	0.2
72.08105	0.2
74.17868	0.1
75.98006	0.2
85.02883	0.6
87.93462	0.1
91.05463	0.5
97.02884	0.3
119.04935	0.3
122.03590	0.3
137.05003	0.3
137.05974	3.0
147.04427	0.3
151.07516	0.2
153.06989	0.2
165.06995	0.4
166.07729	0.2
168.05653	0.2
171.08047	0.4
177.06973	0.3
178.07764	1.2
179.08574	0.6
181.06444	1.1
185.06033	0.5
189.07050	0.3
192.05630	0.2
194.07245	1.4
195.08067	0.7
196.08797	1.9
197.09460	0.2
202.07825	0.2
205.06485	0.3
206.07277	1.1
207.07983	1.1
208.06090	0.2
208.08806	0.8
209.06010	0.9
209.07649	0.2
209.09587	1.0
211.07565	0.2
217.06546	0.2
218.07224	0.5
220.05215	0.6
221.09616	2.3
223.07521	0.5
224.08310	15.9
225.08768	0.6
232.08946	0.2
233.09639	0.2
234.06702	1.0
235.07547	3.3
236.08238	0.3
237.09140	0.9
238.09842	0.7
239.10675	1.5
245.09563	0.4
246.10518	0.2
249.09084	2.8
250.09822	0.2
251.06995	0.2
251.10677	1.1
252.07803	5.1
253.12204	0.3
266.09323	0.6
267.10150	100.0
268.10510	3.9
269.11649	0.6
278.09445	0.2
279.10156	0.4
281.11731	3.6
284.09280	0.2
290.09381	0.3
291.10120	0.5
292.11026	0.3
294.10358	0.3
296.12762	0.2
298.14117	0.2
305.11990	0.3
308.12762	0.9
309.12772	0.2
322.09756	0.3
337.12173	0.8
353.11548	0.3
354.12335	0.2
365.11722	0.9
366.12311	0.2
382.11917	0.2
385.14398	1.0
389.29111	0.2
397.14352	1.6
411.16022	0.4
415.15369	3.7
416.15646	0.3
459.18295	0.3
494.22507	0.2
510.33713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14718	0.1
61.87326	0.1
70.06593	0.3
70.28099	0.3
70.28516	0.4
85.02901	0.4
86.09702	0.2
86.36080	0.1
91.05473	0.4
94.53523	0.1
107.08584	0.1
119.04935	0.2
122.03645	0.2
133.10147	0.2
135.11673	0.2
137.05974	3.2
145.02846	0.1
147.04395	0.4
152.06207	0.1
153.06947	0.3
163.03909	0.1
165.07001	0.5
166.07823	0.1
167.08514	0.2
171.08017	0.2
177.07042	0.2
178.07747	1.1
179.08557	0.5
181.06485	0.9
185.05971	0.3
189.06987	0.4
190.07748	0.3
191.08591	0.2
192.05704	0.3
193.06499	0.3
194.07245	1.3
195.08008	0.8
196.08841	1.9
202.07761	0.3
205.06483	0.4
206.07239	1.4
207.08038	1.3
208.08835	0.8
209.06015	0.7
209.09595	1.0
210.10454	0.2
211.07611	0.2
217.06607	0.2
218.07271	0.6
219.07988	0.3
220.05266	0.7
220.08717	0.4
221.09607	3.2
223.07541	0.5
224.08315	15.4
225.08766	0.5
233.09605	0.2
234.06772	1.3
235.07564	2.9
236.08119	0.4
237.09142	0.5
238.09889	0.7
239.10681	1.4
245.09627	0.2
248.08333	0.2
249.06512	0.2
249.09108	3.9
251.06937	0.2
251.10655	0.7
252.07793	4.4
253.08330	0.3
261.09180	0.2
262.09796	0.2
263.10757	0.3
264.07730	0.3
266.09250	0.8
267.10153	100.0
268.10513	3.2
277.08554	0.4
277.12076	0.2
278.09381	0.4
279.10104	0.5
281.11725	4.0
282.12372	0.2
290.09293	0.3
291.10190	0.5
292.10855	0.4
293.11819	0.3
294.10361	0.3
296.13025	0.2
305.11880	0.8
308.12860	0.6
309.12701	0.2
311.10681	0.2
322.09674	0.2
322.14389	0.2
337.12140	0.8
338.13455	0.4
339.10321	0.2
365.11569	0.6
385.14352	0.8
397.14349	2.0
411.15805	0.3
415.15384	4.4
416.15796	0.3
429.17120	0.2
459.18143	0.5
494.21591	0.6
495.08990	0.3
495.18365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05506	27.8
57.03426	9.6
57.06820	3.9
57.07076	58.6
59.56126	3.2
67.05499	80.9
69.03415	4.0
69.07071	34.9
71.01350	6.8
71.04984	5.0
71.08624	37.4
71.65649	3.6
79.05495	56.7
81.03407	9.9
81.07058	64.2
83.04953	8.1
83.08601	27.2
85.06523	3.6
85.10180	16.4
87.83730	2.7
91.05481	27.8
93.07037	56.3
95.04970	9.8
95.08597	45.8
97.06543	11.1
97.10170	19.2
105.07027	21.5
107.08578	41.8
109.06480	3.1
109.10152	43.9
111.11716	3.8
117.06992	8.6
119.08578	16.9
121.06515	2.9
121.10143	14.6
123.11712	8.3
129.06996	3.2
131.08575	7.9
133.10139	6.6
133.53580	2.6
135.11691	58.8
137.09619	4.3
137.13266	6.0
140.90363	2.7
142.07684	3.2
143.08531	6.1
145.10101	18.2
147.11653	3.8
151.14819	2.9
153.12758	3.6
155.08536	4.6
157.10130	10.6
159.11694	11.8
161.13286	3.7
163.11208	9.9
169.10089	3.3
175.11179	6.5
181.10207	4.3
181.12277	11.0
187.11021	3.3
202.90176	2.9
239.23740	14.5
269.19061	4.2
380.01782	3.0
430.35446	3.0
433.31155	11.1
493.31543	7.7
493.38892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2794
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03947	6.8
55.01873	16.1
55.05510	36.5
57.03436	14.8
59.04986	5.6
59.53092	1.3
65.03942	3.4
66.18389	1.5
67.05505	45.3
69.03411	5.3
69.07069	11.5
70.13127	8.3
71.01360	1.8
71.04997	8.3
75.36513	1.7
79.05493	52.2
81.03419	77.0
81.06576	3.3
81.07053	54.6
83.01346	9.1
83.04977	26.6
83.08138	2.5
83.08613	34.3
85.02429	2.0
85.02907	36.0
85.06526	2.9
91.05478	51.2
93.06469	3.2
93.07040	50.2
95.04964	38.8
95.08606	22.7
97.02882	6.0
97.06537	13.2
97.10157	8.2
99.04440	2.5
99.08086	2.3
102.50643	1.6
105.07030	41.3
107.04962	18.3
107.08589	24.9
109.02838	1.4
109.06519	13.0
109.10143	8.1
111.04435	8.3
111.08096	15.2
113.05976	3.7
115.05454	3.0
117.07030	15.0
119.07779	2.6
119.08576	30.2
121.06501	8.0
121.10136	16.4
123.08082	15.3
123.11703	2.9
125.05963	3.9
125.09629	5.0
129.07001	13.6
130.07809	2.6
131.08569	16.8
133.06453	4.1
133.10127	13.0
135.04477	2.5
135.08063	5.8
135.11676	17.3
137.05962	1.8
137.09648	4.2
142.07787	3.6
143.08569	3.6
145.06543	2.0
145.10136	22.4
147.08044	6.0
147.11670	13.2
149.09605	8.7
149.13341	1.5
151.11180	2.2
153.12762	5.9
155.08585	2.7
157.10100	13.3
159.11687	2.7
161.09674	1.7
163.11180	34.7
165.12781	4.7
173.09601	4.8
175.11191	16.4
181.12274	6.1
191.10654	5.3
193.12239	67.7
204.82013	1.4
209.11734	11.4
211.13284	69.9
214.50621	1.4
227.12804	6.2
249.15009	1.9
267.15930	6.1
283.15460	6.0
383.22263	4.1
401.23227	2.0
433.27182	1.7
455.21463	1.5
456.58200	1.5
471.03760	1.8
475.26886	6.0
491.99686	1.6
493.27945	100.0
494.27914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2796
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.06298	1.2
53.03939	9.2
55.01870	17.2
55.05508	40.1
57.03435	16.5
57.07064	1.6
58.50578	1.2
59.04992	3.7
64.30826	1.1
65.03934	3.2
66.66895	1.3
67.05501	46.1
69.03429	5.8
69.07071	11.1
69.91972	3.2
69.92387	3.3
71.01334	2.1
71.04986	10.4
79.05492	57.9
81.03416	85.1
81.07053	54.7
83.01331	8.3
83.04474	1.5
83.04977	33.5
83.08620	38.3
85.02901	41.8
85.06545	4.3
91.05476	52.2
93.07038	49.6
95.04963	40.1
95.05440	0.8
95.08043	1.5
95.08603	22.1
97.02885	5.9
97.06515	9.3
97.10164	7.7
99.04431	3.0
99.08015	1.7
103.05481	2.5
105.06365	2.5
105.07024	35.7
107.04954	18.3
107.08585	24.2
107.09279	2.3
109.06520	11.6
109.10156	8.8
111.04440	8.4
111.08074	17.4
113.05991	3.3
115.05437	3.7
117.07019	15.3
119.07765	2.6
119.08575	29.5
121.06503	5.3
121.10130	22.3
123.08068	14.8
123.11676	3.4
125.05989	3.0
125.09614	5.5
129.07001	13.2
130.07802	2.0
131.08568	14.8
133.06467	4.1
133.10112	12.4
135.08061	4.2
135.11688	17.4
137.09613	4.0
139.07553	1.6
142.07776	4.1
143.08551	1.5
145.06512	1.2
145.10117	21.5
147.08031	6.6
147.11671	17.0
149.09627	6.8
153.12729	7.3
155.08530	3.3
157.10121	13.6
163.09837	1.9
163.11174	35.9
165.12788	3.0
173.09636	4.8
175.11156	17.2
181.12242	7.2
189.11165	1.3
191.10652	4.5
193.12236	71.0
194.12796	1.3
209.11723	11.4
211.13283	79.1
212.13640	1.2
227.12787	8.1
265.14450	1.8
267.16006	4.0
283.15451	4.2
310.75281	1.3
348.17780	1.2
383.22147	4.7
401.23053	1.7
416.60754	1.3
457.26245	1.6
475.26917	4.2
493.27933	100.0
494.28281	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	493.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25129	2.0
52.47265	1.9
53.03942	8.9
55.01872	17.1
55.05265	3.5
55.05510	46.8
57.03429	14.5
59.04992	4.3
65.03922	5.5
65.09813	1.9
67.05503	64.5
69.03418	7.9
69.07066	13.8
69.30652	2.1
69.66721	17.5
70.22318	2.1
71.01356	2.3
71.05004	10.5
77.03917	3.0
77.48794	2.0
79.05057	3.5
79.05495	62.0
81.03416	88.8
81.07057	60.3
83.01331	5.7
83.04990	27.8
83.08620	35.2
85.02909	16.4
85.06540	4.7
91.05476	51.5
93.07047	48.8
95.04967	44.0
95.08604	26.9
97.02880	9.2
97.06523	20.3
97.10169	20.4
98.20747	3.7
99.04457	4.6
99.08076	4.2
105.03394	3.1
105.07024	36.1
106.46630	2.0
107.04967	27.4
107.08592	32.4
108.51443	2.0
109.06512	12.5
109.10157	26.6
111.04440	21.7
111.08067	17.5
113.05978	2.4
115.05450	3.6
117.05505	3.5
117.07051	15.7
119.04945	2.8
119.07800	3.3
119.08590	29.9
121.02890	10.2
121.06504	11.4
121.10146	22.7
123.04411	6.0
123.08076	7.8
125.09624	22.2
128.06165	2.5
129.07011	16.6
131.08586	23.1
133.06496	7.1
133.10146	14.8
135.04448	4.1
135.08057	7.0
135.11690	20.6
137.06000	3.0
137.09653	6.5
141.07022	4.1
143.08560	6.4
143.10690	3.0
145.06450	6.1
145.10117	22.4
147.08051	8.1
147.11711	12.2
149.09636	8.6
151.07585	2.9
151.11172	2.3
153.09085	2.4
153.12790	12.9
155.08527	5.5
157.10124	15.7
159.11714	2.7
163.11185	34.2
165.09082	2.9
171.10243	2.4
171.11661	3.6
173.09677	5.0
173.11734	6.3
175.11168	20.0
179.69609	2.1
181.12244	16.4
183.11734	3.7
185.13237	4.4
189.09625	2.1
189.11198	13.1
191.10681	9.3
193.12248	53.7
201.12801	4.4
201.14900	2.8
207.13823	2.1
209.11725	13.9
211.11368	3.5
211.13272	48.3
219.13823	5.5
223.13330	2.1
227.12762	42.4
227.14862	2.7
229.12289	2.5
229.14365	3.7
231.13791	3.5
233.11684	3.2
247.13277	24.4
249.14870	8.5
254.86499	2.3
265.14392	3.6
267.15887	16.6
269.15054	2.5
283.15359	14.3
311.12717	5.9
321.17172	4.5
337.21417	2.5
355.22772	3.5
373.23642	3.7
383.22034	11.7
401.23178	14.6
419.24268	5.9
457.25821	5.9
475.26953	44.2
493.27972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
53.43414	0.4
55.01859	1.1
57.03420	0.5
59.80621	0.3
63.79637	0.3
67.05492	0.5
67.37131	0.3
69.03411	1.4
70.06576	0.8
70.79311	1.0
71.04991	0.4
71.12538	0.3
72.08150	0.6
79.05436	0.4
81.03412	0.8
82.06595	0.5
84.08127	0.5
85.02898	3.6
86.09676	0.4
94.06561	0.9
95.04964	0.5
97.02889	1.3
105.07060	0.3
106.06555	1.2
108.04480	1.4
109.02862	0.8
110.06006	0.8
120.08136	0.6
122.06052	0.9
127.03891	0.8
134.05969	1.0
136.03949	0.7
136.07545	0.4
137.05957	0.8
145.04987	0.7
148.07512	0.4
149.05997	0.6
150.05461	0.7
158.09706	0.6
161.07086	0.8
162.05484	4.4
163.03937	0.5
163.06186	0.7
164.07065	1.1
167.07101	0.5
168.06508	0.9
170.08241	0.7
170.09633	0.7
173.10764	0.5
175.14810	0.4
175.39798	0.4
176.07076	1.1
177.05489	0.9
178.05881	0.5
184.07599	0.4
184.11237	0.6
186.07881	0.5
187.08681	1.1
187.12338	0.4
189.06577	4.0
194.08192	0.6
197.10727	0.4
198.09163	0.7
199.12361	0.3
200.09381	0.9
201.10236	3.6
203.08168	2.2
210.55814	0.3
211.08536	0.7
211.12344	0.4
213.10207	1.7
214.07091	0.4
215.08183	6.5
215.11734	2.7
216.08324	0.4
225.10292	0.6
226.08672	0.5
227.08223	0.8
228.08829	0.7
229.09737	7.9
229.13226	1.7
230.10265	0.4
239.11803	1.4
240.10226	0.6
241.09723	1.0
243.07675	0.9
243.11310	3.9
247.14438	0.7
253.09605	0.8
254.10532	0.9
255.11324	0.4
257.09207	6.3
257.12845	4.8
259.10742	0.9
261.12167	0.4
267.11307	2.8
269.12695	0.3
270.09998	0.5
271.10751	3.7
275.13882	3.0
285.12354	8.8
289.12210	0.4
295.10843	1.9
303.13440	2.8
313.11807	15.4
314.12289	0.5
331.12872	100.0
332.13242	3.0
450.12451	0.4
493.17120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.05500	20.0
57.49144	6.6
61.32911	7.4
63.18794	8.2
67.05499	31.7
69.07068	44.1
69.68298	34.2
69.68725	18.4
73.20057	7.6
79.05476	23.1
81.07053	42.5
83.04951	17.6
83.08634	10.9
85.06525	22.4
91.05454	42.8
93.07030	62.7
95.05003	10.0
95.08617	45.8
97.06530	10.6
97.68195	6.0
103.21337	6.7
105.07030	100.0
106.48824	7.0
106.78356	7.0
107.08585	45.5
109.06538	15.4
109.10147	20.6
115.05450	10.5
117.07016	20.2
119.08594	49.6
121.06577	7.8
121.10176	34.6
121.10953	6.5
128.06184	16.5
128.07831	6.7
129.07028	19.0
130.07813	6.9
131.08568	56.0
133.06491	8.7
133.10124	28.7
135.11682	21.9
141.07021	12.9
142.07799	19.9
143.08557	37.4
144.09453	7.6
145.06392	7.0
145.10110	52.9
147.08075	6.7
147.11652	25.8
149.06006	13.5
155.08524	40.5
155.22386	6.2
156.09360	12.9
157.10129	50.0
159.11707	75.8
161.09599	9.5
161.13248	27.6
165.07144	7.9
167.08580	14.9
168.09328	13.9
169.10127	39.1
171.11702	24.9
173.13335	15.4
175.11186	24.8
179.08539	21.3
180.09279	11.8
181.10091	29.9
183.11668	32.3
184.12579	9.0
185.09581	8.1
185.13249	23.2
187.11220	11.2
187.14720	7.7
189.09198	10.0
189.12807	11.6
193.10117	22.3
194.10858	8.6
195.11758	44.0
197.13257	28.1
198.91663	7.0
199.11211	10.9
199.14835	18.0
201.12813	11.9
204.52020	7.2
205.10429	8.5
205.12236	40.8
206.10936	11.5
207.11754	37.5
209.13239	38.2
210.14102	8.1
211.11177	11.3
211.14835	27.3
213.12872	10.7
219.11681	11.3
221.13281	27.4
223.14847	35.2
225.12814	7.8
225.16383	15.5
227.14279	12.2
229.12267	22.9
235.14839	16.5
237.12730	8.9
237.16412	17.0
239.14151	9.3
247.14894	12.5
249.16652	13.7
251.18011	22.0
253.15758	8.9
261.16367	20.9
263.17950	22.8
267.17416	20.6
269.19141	11.7
275.18106	9.6
277.19449	24.3
279.17465	22.9
279.20731	8.3
293.22742	8.9
295.17145	8.8
295.20493	8.2
297.18686	8.6
307.17014	9.4
307.24222	17.7
313.17953	18.4
317.22369	15.1
319.24152	22.7
325.17868	9.7
334.53824	7.3
335.23694	68.5
337.25250	24.1
353.24750	32.2
363.23083	36.8
381.24228	42.9
391.49573	8.1
399.25305	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	492.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.9
65.39220	7.7
67.05502	16.0
69.07070	44.4
69.92945	46.7
79.05492	22.0
79.74737	6.8
81.07063	34.9
82.64690	7.0
83.04976	19.7
83.07838	6.5
85.06541	15.1
85.52811	6.5
91.05469	46.1
93.07040	60.7
95.04976	8.9
95.08595	40.2
97.06499	7.7
98.20838	15.9
100.08334	7.1
105.07021	100.0
107.08583	50.1
109.06510	11.6
109.10136	17.7
111.08049	10.3
117.07005	23.1
119.04961	7.5
119.08575	46.3
121.06432	8.4
121.10130	22.5
123.08035	8.4
128.06245	10.5
129.06940	19.9
131.08548	31.8
133.06505	9.8
133.10112	33.0
135.08049	11.6
135.11682	21.5
142.07793	16.8
143.08554	30.0
144.09299	10.4
145.10138	40.8
145.11165	6.7
147.08029	8.4
147.11638	21.1
149.05920	8.9
154.07805	10.6
155.08548	32.1
156.09320	18.1
157.10129	58.0
159.11687	63.1
161.13202	15.9
163.07585	8.9
165.07027	10.8
167.08577	13.3
169.10089	25.4
171.11673	22.0
173.13254	17.9
175.11188	25.4
179.08592	22.2
180.09297	13.6
181.10103	22.8
182.11002	9.2
183.11652	34.3
185.13251	19.6
187.11130	9.1
189.12819	11.5
192.09230	8.7
193.10146	18.2
193.22269	7.5
194.10785	12.0
195.11795	43.1
196.12489	11.2
197.13307	34.6
199.11099	9.4
199.14828	12.9
201.12727	9.9
205.10284	10.0
205.12247	27.2
206.10844	13.3
207.11719	23.0
209.13211	49.0
211.14813	27.4
213.12669	12.0
217.51404	6.6
219.11700	12.8
221.13257	29.4
223.14847	18.3
227.14174	9.8
233.13272	10.7
235.14922	13.5
237.16331	19.4
239.14456	9.6
240.96190	6.9
247.14719	9.8
249.16490	16.0
251.17918	24.2
261.16376	15.0
263.17950	21.7
266.02960	8.4
269.19220	8.6
275.17850	10.2
277.19470	20.8
279.17688	7.4
279.21066	13.1
281.19104	8.4
295.17010	10.6
295.20511	10.5
297.18646	8.4
307.24274	8.6
319.24170	19.6
335.23639	56.9
337.25323	18.0
353.24741	23.0
363.23096	36.5
381.24194	45.9
395.25662	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	492.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.3
61.62009	9.7
65.29092	10.3
67.05505	52.8
69.57534	83.2
79.05480	40.8
81.07056	70.0
83.08611	16.8
85.06528	12.2
91.05482	58.6
93.07044	79.0
95.04943	30.6
95.08607	47.5
97.06535	10.9
103.05470	10.2
105.07030	100.0
107.08578	57.0
109.10135	34.6
117.06998	26.9
119.08580	67.0
121.10139	35.6
129.06979	33.7
131.08517	48.3
133.10132	34.8
135.08061	12.0
135.11670	18.7
141.07060	13.3
142.07758	30.2
143.08534	31.0
145.10123	36.6
147.11690	24.2
151.11298	9.8
155.08575	31.9
157.10103	47.4
159.11693	47.2
161.09566	10.0
161.13318	10.9
165.07057	14.5
169.10126	26.5
171.11632	13.3
173.13162	12.1
175.11176	35.1
176.73265	9.9
177.12733	11.5
179.08597	13.7
181.10101	19.7
183.11696	24.7
185.13226	15.1
193.08594	15.5
195.11714	28.2
197.13290	23.6
199.14795	11.0
206.11075	15.8
207.11618	20.4
209.13268	27.5
211.14850	22.2
221.13258	29.5
223.14787	12.1
225.12561	14.3
229.12289	14.1
249.16393	20.6
318.00980	10.2
363.23151	13.4
492.30453	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.2
71.17390	1.9
72.08157	5.7
79.05479	4.5
81.07036	1.6
81.21787	0.9
83.04951	1.0
84.60876	0.8
91.05466	3.7
93.07041	1.2
95.04977	1.4
97.01482	0.9
103.05448	3.6
105.07030	12.9
107.04971	2.5
107.08561	1.3
111.04581	1.0
118.04154	7.3
119.04926	1.4
120.08107	10.7
121.06530	1.8
122.07218	1.4
124.05185	2.4
131.04921	1.6
133.06476	14.9
134.07297	1.0
135.08015	2.5
137.05956	3.3
145.94919	0.8
150.06813	5.2
150.88800	0.9
151.07500	1.6
162.06267	0.9
163.03954	1.0
165.09105	12.3
193.08604	100.0
194.09232	3.0
219.14891	2.1
247.14343	2.1
259.18796	0.9
330.08633	1.0
492.30396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47539	0.8
58.28305	0.7
58.78489	0.8
61.31413	0.8
67.05492	2.3
71.26628	2.0
79.05488	5.5
80.65405	0.8
81.07069	3.9
85.06551	1.1
91.05479	6.6
92.05811	0.8
93.07050	4.3
95.04948	2.0
95.08598	2.0
100.82383	0.9
103.05472	2.5
105.07030	23.1
107.04951	1.8
107.08586	3.0
109.06536	1.8
109.10153	1.5
115.05493	1.4
117.07021	2.2
118.04140	1.0
119.04971	1.2
119.08572	3.2
120.05675	1.1
121.06457	1.7
121.10130	1.3
122.07314	0.8
127.42147	0.9
128.06230	0.8
129.07021	1.6
130.07813	0.8
131.04910	0.8
131.08575	2.8
133.06493	14.6
133.10129	2.1
135.08041	2.8
137.05989	4.7
141.06979	1.1
143.08563	3.3
145.10123	1.9
147.07988	1.0
147.11703	1.4
150.06744	7.0
155.08566	2.2
157.10123	3.7
159.11664	2.2
165.09120	12.9
167.08492	1.2
169.10156	1.7
169.55745	0.9
171.11679	1.0
175.11191	2.2
181.10127	1.8
183.11650	1.0
193.08609	100.0
194.09201	4.2
195.11629	1.3
197.13286	1.9
205.12166	1.0
207.11685	1.8
209.13254	2.0
211.14862	1.4
221.13307	1.6
223.14793	2.0
223.72908	0.8
250.16609	0.8
251.17989	1.0
277.19534	0.8
284.39655	0.8
313.62369	1.1
335.23758	0.9
345.10779	0.9
349.28314	0.9
365.86093	0.9
437.90656	0.9
499.63300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.5
55.05509	5.3
58.99194	4.3
62.86507	5.6
63.75183	4.6
67.05493	6.6
69.03426	27.9
69.07050	9.1
70.06580	17.5
70.29033	4.0
70.59879	13.0
70.60235	6.5
71.04990	10.4
72.08147	10.1
72.60242	4.2
73.02899	6.0
74.06081	4.7
78.43479	4.2
79.05476	7.9
81.03405	19.1
81.07040	7.7
84.08118	5.6
85.02904	60.3
87.00828	29.5
87.91130	5.5
91.05491	18.8
93.07029	20.8
95.08590	15.2
97.02911	26.1
97.06492	5.3
99.04446	10.7
105.01859	29.9
105.07016	20.1
107.08601	33.6
109.02868	20.7
109.06532	5.8
109.10145	6.6
117.07040	4.8
119.08592	31.9
120.59911	5.5
121.06478	5.0
121.10134	20.1
127.03917	34.3
131.08574	24.0
133.10124	32.1
135.08058	11.2
135.11691	17.4
137.05975	11.2
143.08524	10.1
145.04974	12.0
145.10117	18.9
147.11664	24.2
149.09663	10.2
149.13246	36.1
158.10936	19.9
159.02927	5.8
163.03911	5.8
171.11667	5.5
173.13260	100.0
175.14827	11.6
177.05449	6.6
185.76900	4.5
191.14275	92.5
209.15366	25.0
231.04941	12.9
244.09659	8.8
271.32040	4.9
289.25000	4.6
303.04962	7.8
354.13199	8.3
492.19901	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	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24317	0.7
53.03945	1.0
55.01871	1.0
57.03429	0.8
60.21399	0.8
61.02892	0.8
67.05416	0.6
69.03438	3.5
69.27383	0.7
69.46800	0.7
70.06552	1.9
71.05011	0.9
71.63820	1.0
72.08118	0.9
79.05472	0.8
81.03403	1.0
81.07024	1.2
84.04571	0.8
84.08099	0.9
85.02916	4.4
86.09686	1.4
87.58674	0.7
91.05465	3.2
95.08546	1.0
97.02869	2.8
99.02699	0.7
107.04908	1.1
109.02861	0.7
109.06465	0.9
110.84110	0.8
111.04449	0.9
115.05441	6.6
116.07126	0.8
119.04903	1.5
120.81948	0.7
122.03650	1.4
127.03842	1.6
135.08055	1.0
137.05980	41.5
143.04922	24.0
147.04390	1.3
147.08015	0.8
148.94939	0.8
149.05997	1.0
151.07550	5.0
160.05197	3.1
160.07530	1.0
160.47147	0.7
163.03844	2.6
163.07561	1.9
164.07024	0.7
167.08588	1.1
175.07553	18.7
177.07838	14.5
178.08813	0.8
179.08583	3.0
192.10196	100.0
193.10501	1.3
195.08040	1.4
207.08051	4.0
212.08388	0.9
223.07552	0.7
224.08157	1.2
227.10686	2.1
235.07591	3.0
239.10683	2.5
252.07899	1.0
255.10187	1.6
267.10287	3.2
269.08615	0.7
281.08212	1.2
295.09802	1.7
299.12823	7.2
313.10733	2.3
330.17001	24.7
354.15469	36.7
389.46271	0.7
389.52097	0.7
475.15710	1.2
475.49585	0.7
492.22382	76.3
493.22675	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01866	0.4
57.03416	0.5
61.02900	1.2
66.21409	0.3
66.92277	0.3
67.05476	0.4
69.03088	0.4
69.03429	6.8
69.07028	0.3
70.06559	0.9
70.41931	1.1
71.04964	0.7
72.08150	0.8
73.02875	0.8
81.03394	1.2
81.03827	0.3
81.07031	0.4
84.08104	0.3
85.02435	0.5
85.02903	6.4
86.09713	0.5
87.04454	0.5
91.05466	1.9
93.07022	0.5
95.04939	0.3
95.08607	0.5
97.02892	2.8
99.04418	0.4
105.07028	0.6
107.08567	0.8
109.02887	0.7
109.06500	0.9
112.73898	0.4
115.05437	3.4
117.07004	0.4
119.04974	1.4
119.08556	0.5
121.06513	0.4
121.10162	0.9
122.02693	1.8
122.03625	1.0
122.49667	0.3
123.08078	0.4
123.11707	0.4
125.05991	0.5
125.09599	1.4
127.03871	1.0
131.04863	0.5
131.08559	0.6
132.08000	0.3
135.08029	0.8
135.11734	0.4
136.05127	0.3
137.05974	22.9
138.06294	0.3
143.04919	13.8
145.06435	0.3
147.04376	1.2
147.08070	0.3
149.05998	0.8
149.08372	0.7
149.09557	0.7
151.07526	4.2
153.09027	0.6
159.04448	0.4
160.05223	1.7
160.07518	0.4
161.05936	0.4
163.03908	3.0
163.07559	1.0
163.14848	0.6
167.08536	0.7
173.13266	1.1
175.06036	0.7
175.07549	13.2
177.07841	15.0
178.08754	0.7
179.08530	1.3
180.10167	0.4
191.14317	5.1
192.10185	100.0
193.10480	1.5
195.08047	1.4
205.04749	0.5
205.06519	0.4
207.08064	2.4
209.15355	7.1
221.05972	0.6
223.07639	0.5
223.11644	0.4
224.08252	0.4
227.10645	1.3
235.07512	2.3
237.05370	0.5
238.06099	0.5
239.10733	1.3
241.12338	0.6
249.05431	0.5
252.07846	0.5
253.08601	0.7
255.10214	1.0
263.96924	0.3
267.10126	2.1
269.11734	0.4
281.08139	1.3
283.06110	0.4
284.10385	0.5
287.12952	0.6
298.14456	0.5
299.12741	4.2
313.10641	4.1
330.13339	1.0
330.16974	17.7
354.15445	0.4
492.22318	61.6
493.16495	0.7
493.23032	1.9
515.83429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26128	1.2
53.03933	3.4
55.01860	5.9
55.05496	1.7
57.03431	22.1
59.04992	5.1
60.04512	3.6
61.02914	2.2
67.05522	1.3
69.03426	78.5
69.07078	3.3
70.06586	2.5
71.01330	1.2
71.04989	3.0
71.65332	3.0
73.02907	2.6
74.30704	1.4
75.04475	2.0
79.05481	4.6
81.03415	3.8
81.07044	4.4
82.07377	1.8
85.02901	51.2
87.04461	55.2
88.04792	2.1
91.05492	7.9
92.85349	1.3
93.07039	16.4
94.07362	4.0
95.04951	2.6
95.08614	2.4
97.02885	56.5
97.06518	3.3
99.04420	2.2
103.05466	7.4
105.07028	5.5
106.07340	2.5
107.04974	4.3
107.08585	5.6
108.08933	2.2
109.02850	1.9
109.06522	6.0
109.10152	1.9
110.06867	1.3
111.04462	1.7
111.08065	3.5
115.03923	76.5
117.07044	3.6
119.08580	1.6
121.06501	19.9
121.10146	6.5
122.10490	3.5
125.02368	3.6
127.03951	7.8
129.05449	4.7
130.05824	2.3
131.04919	2.1
131.08618	1.5
133.04964	85.3
133.10158	2.0
134.05299	2.6
135.08043	3.9
135.11713	1.4
140.04677	29.1
142.22253	1.3
143.08572	1.6
144.06558	2.7
145.04956	7.8
145.06454	4.0
145.10109	3.0
146.10440	1.9
147.06519	1.7
147.11679	2.3
149.05946	19.1
149.09616	4.8
150.07620	7.8
150.09959	5.2
153.05453	13.5
154.08620	2.0
157.04945	3.6
158.05252	3.2
163.07518	3.0
163.11157	7.6
164.04623	3.3
164.11517	5.1
167.10703	11.3
168.11009	10.4
169.04977	2.9
173.05974	8.3
175.06044	10.6
176.06401	6.4
177.05513	2.1
181.08586	100.0
182.12437	1.5
185.11739	1.6
187.07532	2.1
191.07040	2.9
191.10695	5.0
191.14244	2.1
192.11046	4.6
193.08586	1.9
205.08617	14.0
209.15393	2.2
210.12109	1.4
217.08560	3.9
227.16209	1.9
228.49547	1.4
231.10258	1.5
241.06967	1.7
247.09583	1.7
259.08005	3.4
277.10941	16.4
284.12436	1.3
306.13965	2.4
324.15265	1.8
402.46213	1.4
474.26944	1.7
492.20132	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01867	1.0
56.19878	0.8
56.72553	0.8
57.03419	1.1
57.87656	1.0
60.04521	0.9
65.03961	1.1
69.03424	1.4
69.43496	8.5
70.06604	1.3
79.05492	2.3
81.03407	1.5
81.07040	2.1
84.08157	1.8
85.02898	2.1
88.39426	1.0
91.05476	9.6
93.07037	1.7
95.04976	2.1
97.02885	2.1
97.06570	1.2
99.04411	1.0
103.05482	3.5
105.07040	3.9
106.04172	1.3
107.04955	9.5
107.08612	1.3
109.06540	1.5
115.05511	1.8
117.03312	1.3
117.06989	1.8
119.04941	4.4
119.08550	0.9
121.06519	3.0
121.10136	1.2
123.04431	1.6
123.08052	1.0
127.03891	0.9
131.04929	7.0
132.05702	4.7
133.02840	2.1
133.06474	2.5
133.10100	1.0
135.04462	2.5
136.05191	1.4
137.05963	8.1
145.06487	0.9
147.04398	1.6
147.08072	0.8
147.11697	1.3
148.05241	1.6
149.02336	2.1
149.05991	3.3
149.09616	0.9
151.07538	4.1
160.05237	1.9
161.05994	3.9
163.03896	4.2
163.07571	1.4
165.05490	11.8
165.06999	3.1
166.07794	4.6
167.07056	18.7
168.07355	1.0
173.05962	1.8
175.07491	1.7
177.05499	4.1
177.07014	3.3
178.07767	11.6
179.07018	10.0
179.08430	1.2
180.07831	19.2
181.04961	2.0
181.06424	1.0
181.08522	1.7
183.08138	0.9
189.06966	1.8
190.07765	1.9
191.07024	7.1
191.08493	1.2
191.14384	2.1
192.07790	6.4
193.08583	2.1
194.07283	20.9
195.06482	1.5
195.08032	2.1
202.07799	1.2
203.08449	1.2
204.05826	1.0
205.06528	3.2
206.07304	5.1
207.06470	1.8
207.08261	1.9
208.08788	1.0
209.07774	1.6
209.09634	25.0
209.15395	2.0
218.07266	2.5
219.08073	3.2
220.08755	1.3
221.09622	18.6
222.06764	4.5
225.07544	1.6
227.16328	1.6
234.06825	7.8
235.11179	1.1
237.09097	44.8
238.09618	1.5
245.09557	1.4
247.07585	2.9
248.08293	1.6
249.09113	25.7
249.11519	1.5
250.06285	3.5
250.09781	2.2
251.10747	2.0
253.08580	1.8
261.09113	1.4
263.10614	1.4
265.08600	100.0
266.09045	3.6
267.10132	4.9
275.10608	1.2
277.08588	17.6
278.09335	1.3
279.10184	3.9
291.10178	1.9
303.10208	1.7
307.09644	7.2
390.54724	0.9
392.10306	1.1
413.13602	1.0
445.16458	24.8
457.16449	12.1
457.42337	0.8
475.17526	59.4
476.17941	2.6
492.19861	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95885	0.5
53.03945	1.1
55.01862	2.0
55.05510	7.1
56.96576	0.5
57.03424	1.3
57.07071	0.7
59.04988	0.7
63.33490	0.5
67.05171	0.9
67.05503	12.9
69.03440	2.5
69.07065	4.8
69.07700	0.4
69.81033	2.2
69.81446	1.2
71.04999	3.0
74.10328	0.5
77.03962	0.5
79.05487	10.5
81.03435	2.5
81.07058	13.9
83.04993	2.6
83.08617	2.9
85.02884	2.3
85.06534	1.7
91.05480	7.3
93.07047	9.1
95.04984	5.6
95.08607	5.9
97.02881	0.9
97.06530	4.3
97.10175	3.1
99.08040	0.8
103.05457	0.7
105.07029	5.4
107.04949	10.1
107.08585	4.9
109.06528	3.9
109.07651	0.8
109.10145	8.9
111.04460	0.8
111.08104	0.9
115.05456	1.1
117.07020	3.0
119.01254	0.5
119.04939	0.5
119.08591	6.0
121.06512	6.6
121.10146	4.7
122.07298	2.0
123.04425	0.6
123.08063	1.6
123.11708	8.8
123.61890	0.6
125.09621	2.9
129.07008	2.7
131.04921	1.5
131.08549	4.7
133.06496	1.4
133.10136	1.5
135.04424	0.6
135.08020	2.2
135.11688	1.8
137.06026	1.2
137.09615	14.1
139.07559	0.7
141.06985	1.0
143.08536	1.4
145.06490	2.0
145.10109	3.3
146.40627	0.6
147.08057	1.8
147.11699	1.1
149.09615	2.0
149.13235	1.0
153.09087	0.8
155.08551	1.2
155.10632	0.5
157.06442	0.7
157.10139	1.3
159.08064	2.3
159.11688	1.2
161.06015	1.4
161.09639	1.0
163.11191	2.3
165.09113	100.0
166.09460	1.4
167.07050	1.5
167.10735	1.3
169.10133	0.6
171.08026	1.1
171.11673	0.8
173.09601	1.1
173.11804	0.8
173.13234	1.0
175.07515	1.0
175.11205	1.1
177.09123	0.8
181.12267	1.2
183.10121	0.8
185.09489	0.6
187.07541	1.7
189.09132	1.1
189.11214	1.5
191.10609	0.8
191.14299	1.1
191.17838	0.6
193.08650	1.1
197.09622	0.9
199.07492	0.8
199.11348	0.6
199.13240	1.3
201.09216	0.6
201.11259	1.4
203.14357	0.8
205.12311	1.2
211.11333	0.6
215.10660	1.3
219.10165	0.8
219.13760	3.3
221.11852	0.6
227.12782	1.6
233.11710	1.8
233.15297	1.0
249.14958	0.8
255.13872	0.8
273.14838	1.9
274.09607	1.5
274.59854	0.6
275.16385	0.9
311.16425	1.0
329.17422	1.5
349.21625	2.0
357.24222	0.7
367.22723	4.6
385.23685	6.0
403.24750	2.1
441.26346	0.9
455.19702	0.5
459.27423	12.3
468.12497	0.6
491.30426	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01859	5.4
55.05508	18.8
57.03419	6.1
59.04981	1.4
59.16145	1.2
65.03938	1.7
67.05499	31.0
69.03424	6.6
69.07055	9.6
69.88998	2.2
69.89412	7.1
71.04987	10.8
79.05486	34.4
81.03415	9.7
81.07052	34.8
83.04954	7.3
83.08612	9.9
85.02901	3.6
85.06525	5.5
91.05472	21.5
93.07037	30.7
95.04963	14.3
95.08053	1.5
95.08608	17.4
97.02904	2.0
97.06529	14.6
97.10178	14.1
99.04425	1.7
99.08097	1.4
101.51552	1.3
105.07025	16.0
107.04944	28.4
107.08591	14.2
109.02786	1.7
109.06506	10.3
109.10152	14.9
111.04427	1.5
111.08103	3.0
115.05431	3.7
117.07008	13.0
119.04937	1.6
119.08588	11.4
121.06487	18.6
121.10140	12.0
122.07284	2.1
123.04400	2.3
123.08072	4.4
123.11709	9.0
125.05967	1.5
125.09617	10.6
125.76544	1.3
127.03896	2.3
128.06203	1.8
129.06976	6.2
130.07799	1.5
131.04926	4.4
131.08568	12.9
133.06509	5.0
133.10124	5.7
135.08055	7.2
135.11650	4.8
137.05969	5.4
137.09612	16.0
139.07559	2.2
141.06966	3.4
142.07851	1.7
143.08559	5.3
145.06496	8.4
145.10118	9.4
147.04445	2.3
147.08043	4.1
147.11685	2.3
149.05927	1.8
149.09616	5.1
153.06969	1.6
153.09087	2.0
155.08521	3.9
157.06561	2.3
157.10101	4.1
159.08041	4.1
159.11678	4.3
161.05969	2.3
161.09589	3.3
163.11209	7.3
165.09103	100.0
166.09378	1.4
167.08560	2.7
167.10670	3.8
169.10127	3.3
171.08049	2.4
171.11668	3.7
173.06049	2.5
173.09564	3.4
173.13246	3.4
175.07581	2.0
175.11246	2.3
177.09039	2.2
177.12726	2.5
181.09978	1.5
183.08101	1.4
183.10170	1.6
183.11641	2.2
185.09576	2.1
185.13242	2.0
187.11298	1.9
189.09268	2.8
189.11244	7.2
191.10626	1.8
191.14264	4.8
193.08530	1.5
193.12239	4.2
195.11720	1.8
197.13309	2.6
199.07646	1.7
199.11414	2.0
199.13269	5.6
201.09045	2.9
203.10680	1.5
205.12204	3.0
209.09622	1.3
209.11578	2.7
211.11264	2.1
213.09145	1.5
215.10651	4.0
215.14293	3.5
219.13777	10.3
223.06917	1.3
223.13161	1.6
227.12666	7.1
233.11731	2.7
233.15411	3.4
247.13307	1.5
247.16905	2.0
249.14977	2.7
252.58858	1.3
255.13824	1.8
271.17053	2.1
273.14822	5.2
275.16394	3.8
279.57779	1.4
311.16367	4.2
329.17410	4.0
339.23196	2.3
349.21542	5.8
357.24411	2.2
367.22690	16.9
373.81036	1.5
385.23633	19.6
403.24860	6.3
405.24057	1.6
417.26636	1.8
423.24988	1.6
441.26266	3.5
445.25720	1.5
459.27444	41.1
460.27731	1.7
473.28976	1.9
491.30563	39.0
510.30173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.52330	2.5
52.84822	2.5
53.03934	9.3
55.01864	8.2
55.05508	36.3
57.03442	16.4
59.04992	2.6
59.49575	2.5
62.36417	2.7
65.03934	5.2
66.04429	2.6
67.05503	69.2
69.07076	13.8
69.74053	6.1
69.74468	14.7
71.04994	5.3
79.05489	74.2
81.03417	53.3
81.07056	66.7
83.04982	20.4
83.08630	25.4
85.02897	12.3
85.06535	6.3
91.05479	100.0
93.07039	67.9
95.04977	27.8
95.08607	31.0
97.02914	4.1
97.06528	7.0
97.10171	15.9
98.20824	4.3
101.26606	2.8
103.05445	4.5
105.07029	55.1
107.04940	13.9
107.08602	26.7
109.02784	3.0
109.06514	9.0
109.10133	12.6
111.08062	10.1
115.05447	7.5
117.07003	20.1
119.08571	39.9
121.06489	9.0
121.10109	8.3
123.08068	8.0
123.11700	10.7
125.09644	8.6
129.07013	29.1
131.08574	16.5
133.06516	4.5
133.10143	20.7
135.08011	3.1
135.11714	5.4
141.07002	3.9
142.07767	4.2
143.08546	12.5
145.06456	3.2
145.10100	16.1
147.08034	5.1
147.11684	30.1
149.09656	3.4
155.08601	4.2
157.10146	8.5
159.11627	2.9
161.09686	3.3
161.13257	6.4
163.11188	4.1
167.66211	2.6
171.08018	4.5
171.11682	22.2
175.11192	6.9
179.14264	3.9
185.13210	5.3
187.13286	6.3
189.11209	5.2
189.12764	7.7
193.12228	26.2
207.12100	3.1
207.13733	14.8
211.13272	24.0
227.12793	6.9
243.15961	7.2
249.14883	10.0
267.15939	22.9
277.17883	3.3
281.17395	21.6
305.17404	6.0
351.25342	6.9
353.24777	3.8
363.23404	4.4
381.24438	5.3
399.25272	9.4
455.27814	4.3
473.29105	56.8
491.30331	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61831	2.6
53.03949	9.9
55.01868	34.5
55.05506	59.8
57.03433	11.6
58.45539	1.7
59.04974	6.8
65.03926	3.9
67.05177	3.5
67.05505	47.2
69.03412	4.6
69.07066	15.2
69.24126	2.0
71.01346	4.6
71.04993	11.0
71.64148	2.8
79.05489	81.8
81.03410	40.1
81.07053	60.0
83.01335	24.3
83.04979	40.8
83.08612	31.1
85.02903	12.3
85.06516	3.8
91.05473	55.1
93.07038	93.7
93.07626	4.9
95.04961	36.3
95.08598	28.5
97.02864	8.4
97.06532	17.4
97.10168	9.3
99.04425	5.7
103.05430	6.0
105.07021	38.5
107.04952	29.4
107.08583	41.1
109.02837	3.1
109.06514	25.3
109.10123	7.9
111.04445	11.3
111.08016	5.8
115.05461	2.6
117.06232	2.0
117.07016	27.4
119.08570	29.6
121.06507	14.0
121.10137	27.2
123.08073	24.0
125.05972	4.0
125.09612	5.9
129.06975	8.5
130.07777	6.3
131.04878	2.1
131.08554	16.6
133.10118	9.7
135.08052	10.4
135.11681	39.6
137.05995	2.2
137.09576	6.1
141.06903	2.0
143.08508	4.4
145.06477	5.3
145.09045	3.6
145.10118	52.2
147.08000	7.4
147.11728	3.7
149.09581	5.8
153.12718	11.6
155.08525	5.9
163.11174	88.4
164.11404	2.3
173.09601	14.6
175.11183	2.2
181.12231	15.3
182.06113	2.1
191.10733	15.6
209.11713	29.2
219.13712	3.5
227.12672	12.8
235.22716	2.0
265.14282	2.7
312.75208	1.9
367.22372	3.9
385.23676	3.3
459.27069	8.6
491.26151	100.0
492.26727	2.9
517.52765	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43168	2.2
52.45181	1.9
53.03952	10.6
55.01875	19.3
55.05510	86.1
57.03431	12.0
57.07056	2.2
59.04997	5.1
63.14160	2.1
65.03951	4.7
67.05505	60.6
69.03426	10.0
69.07060	18.9
70.23391	8.5
71.01328	3.3
71.04994	11.2
77.03939	2.3
79.05491	75.3
81.03409	35.2
81.07055	72.1
83.01334	6.3
83.04981	21.8
83.08620	56.3
83.09119	3.5
84.08164	2.6
85.02913	7.0
85.06541	7.1
87.76645	1.8
91.05471	54.6
91.06005	4.4
93.07037	61.6
95.04966	34.6
95.08607	29.1
97.02901	6.5
97.06519	11.8
97.10167	73.3
99.00822	3.0
99.04454	5.4
101.09619	2.4
103.05473	4.5
105.07030	37.0
107.04952	47.0
107.08587	50.2
109.02889	10.0
109.06527	23.6
109.10141	12.5
111.04464	3.8
111.08071	9.7
117.07009	20.0
119.08566	26.5
121.02882	3.1
121.06523	29.3
121.10143	22.8
123.04423	4.4
123.08055	13.2
125.06017	3.5
125.09632	64.5
128.06224	4.0
129.06987	14.0
130.07765	3.0
131.04910	4.4
131.08577	24.8
133.06485	6.7
133.10141	20.0
135.04376	4.0
135.08052	15.4
135.11682	14.3
137.13272	2.8
139.07510	4.5
141.06943	3.5
142.07820	3.1
143.08572	10.4
143.10617	2.7
145.06477	10.6
145.10112	27.7
147.04459	4.4
147.08055	9.9
147.11667	7.3
149.09604	7.7
151.03879	3.1
151.07475	2.2
151.11140	2.5
153.07002	2.2
153.09113	7.8
153.12752	5.5
155.08578	5.3
157.06570	3.7
157.10139	8.3
158.53862	2.2
159.08005	4.6
159.11711	6.2
161.05960	3.3
161.09628	9.0
163.07561	3.0
163.11165	32.3
169.10149	5.1
171.08090	3.5
171.10309	3.3
171.11749	4.2
173.09621	5.5
173.13248	8.2
175.07529	2.4
175.11143	4.9
179.10661	2.9
181.12192	5.1
185.09583	5.0
187.11189	3.8
189.09186	7.7
189.11201	54.7
191.10713	3.7
191.14319	11.9
193.12276	12.5
199.11224	3.3
199.13261	4.0
201.12827	5.2
203.10701	2.5
207.10094	2.5
207.13760	2.6
209.11638	12.0
213.09149	3.7
215.14410	2.9
217.12210	3.3
219.13811	76.8
225.11156	5.9
227.10603	3.2
227.12770	46.2
227.14902	3.4
229.12280	3.3
247.13153	3.9
249.14903	2.4
263.12845	12.1
267.16116	3.0
273.14862	3.9
275.16495	3.7
281.13898	2.4
311.16327	2.9
341.06882	2.2
349.21707	4.4
353.21017	5.2
355.22546	2.5
363.19714	2.4
367.22623	14.1
371.22070	11.0
381.20541	7.7
385.23712	15.5
389.23230	7.8
399.21683	10.7
407.24332	5.3
417.22681	4.9
419.65482	2.2
434.30557	2.7
441.26538	3.9
445.25922	17.3
447.27515	4.9
459.27448	27.6
463.26846	13.2
473.24454	10.4
491.25803	100.0
492.26859	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01862	19.1
55.05506	93.4
57.03407	8.9
57.07060	4.1
59.04967	3.5
65.03890	3.5
67.05496	52.4
67.90147	2.3
68.57693	2.2
69.03415	21.2
69.06714	2.4
69.07061	34.0
69.30269	2.3
69.43907	2.3
71.04980	5.8
71.09787	5.2
78.81161	2.2
79.05486	64.6
81.03413	25.9
81.07048	66.2
83.04989	14.1
83.08613	51.2
85.02898	12.1
85.06502	7.6
87.04458	2.9
91.05479	37.8
93.07040	40.8
95.04955	22.2
95.08035	3.0
95.08591	33.9
97.02836	9.6
97.06524	33.5
97.10162	100.0
99.04418	4.8
99.08046	3.2
101.09555	2.7
105.07009	26.6
107.04948	42.9
107.07972	3.4
107.08586	42.0
109.02841	11.0
109.06509	16.4
109.10157	16.4
111.04433	5.7
111.08022	8.1
111.11616	4.3
115.05435	3.4
117.06985	16.6
119.04897	3.9
119.08569	13.1
121.02807	5.9
121.06483	28.0
121.10137	11.7
123.04404	3.4
123.08019	4.5
123.11647	8.0
125.05933	3.9
125.09619	83.1
127.03826	6.6
128.06149	4.7
129.05446	4.2
129.07014	12.4
131.04889	3.4
131.08568	13.7
133.06400	7.4
133.10129	13.1
135.04352	3.8
135.08035	17.3
135.08911	3.7
135.11601	8.2
137.05899	9.7
137.09612	4.1
143.08461	7.7
143.10577	4.3
145.06381	10.1
145.10107	15.2
147.04366	6.6
147.07953	7.8
147.11635	6.6
148.79140	2.6
149.05867	4.2
149.09488	3.9
151.03763	3.7
151.14676	2.9
153.09038	10.8
155.08496	6.7
157.06384	3.9
157.10051	6.0
159.08064	5.4
159.11577	3.3
161.05887	6.0
161.09532	9.7
163.03812	3.0
163.11119	13.4
165.06895	2.6
165.09125	16.2
167.08380	3.0
169.06400	2.7
169.10129	4.0
171.07980	5.6
171.10107	4.1
171.11562	3.4
173.05869	2.7
173.09630	5.4
173.13148	9.1
177.09044	2.8
185.09554	6.5
185.13162	3.4
189.09032	9.3
189.11212	67.5
189.12816	3.3
191.10486	2.8
191.14288	13.7
193.08572	3.1
193.12126	8.6
195.08046	2.8
199.07442	3.2
201.12686	7.2
203.10617	3.9
205.12172	3.4
207.10048	3.5
209.11597	7.1
211.11063	3.4
213.08974	4.1
215.10594	9.3
217.12219	2.7
219.11784	4.9
219.13785	83.6
225.11028	4.1
227.10561	2.6
227.12737	41.8
229.12198	4.4
233.11536	8.3
245.11589	4.0
249.14702	3.4
263.12912	12.5
273.14752	3.3
275.16348	2.9
277.17984	3.1
311.16147	7.5
324.23328	2.7
329.17194	9.2
349.21124	3.1
353.21072	5.7
363.97989	2.6
367.22336	9.1
371.22198	13.3
381.20239	9.6
385.23438	10.9
389.23154	12.4
399.21259	9.2
407.23917	4.6
445.25958	22.9
447.26907	4.9
459.27203	25.1
463.26865	16.8
469.97787	2.9
473.25491	12.6
491.25937	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26829	0.8
52.09090	0.8
53.03954	1.3
55.01864	2.2
55.05502	2.7
57.03437	10.9
60.04516	0.7
61.02922	1.6
62.46072	0.7
67.05502	1.6
69.03431	3.8
69.07050	1.3
70.06582	2.3
71.01328	1.0
71.04990	78.5
71.36074	1.1
71.36397	0.9
72.05321	0.9
73.02901	2.3
75.04482	4.4
79.05503	1.2
81.03406	2.5
81.07037	1.9
83.04975	7.1
84.08144	1.2
85.02902	100.0
87.00798	1.1
87.04456	1.9
91.04897	0.7
91.05465	2.2
93.07031	1.4
95.04964	1.1
95.08617	1.4
97.02885	6.2
97.06518	1.7
99.04436	6.4
101.54962	0.7
103.03926	1.1
105.01848	1.5
105.06390	1.3
105.07038	15.6
107.04930	0.9
107.08557	2.3
109.02866	1.7
109.06521	1.1
109.10130	3.0
111.04428	4.0
117.07008	2.2
117.67557	0.8
119.04920	0.9
119.08573	4.9
121.06544	1.0
121.10147	2.2
123.08044	2.8
124.05235	3.1
125.05947	1.7
127.03915	5.7
129.05479	39.6
131.08553	1.6
133.04918	0.8
133.06461	2.8
133.10129	10.1
134.10461	0.9
137.05928	4.2
137.09567	1.3
141.06978	0.9
143.08517	2.4
145.04907	4.0
145.06589	0.8
145.10109	2.4
146.08119	1.4
147.06540	16.3
147.07814	1.1
147.11722	1.4
149.09625	1.1
151.07472	1.0
155.93767	0.8
156.09348	1.2
159.11627	2.3
161.09622	9.2
161.13286	2.3
163.06009	1.3
163.11159	3.0
164.09198	3.5
164.11540	1.2
165.09106	7.4
167.07059	2.8
171.11690	2.9
177.12682	1.2
179.10625	2.6
179.14313	4.0
180.08546	0.7
181.04764	1.0
183.11528	1.1
188.80002	0.8
189.09077	4.5
189.12752	7.2
207.10217	1.4
207.13783	5.8
225.14899	5.0
244.08075	0.9
262.09915	0.9
277.64160	1.0
293.13968	2.0
303.12250	1.0
321.13025	0.9
490.18735	1.1
515.23383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29758	0.7
53.03943	0.6
57.03432	0.7
61.02887	0.5
69.03423	2.9
69.46098	2.0
69.46525	3.2
70.06576	1.4
71.04962	0.9
72.08125	0.5
73.02896	0.9
81.03407	1.5
84.04487	0.7
85.02904	7.8
86.09698	1.2
87.04442	0.7
97.02897	4.4
98.21519	1.1
99.04445	1.0
107.04939	0.7
109.02843	1.4
127.03896	2.4
136.07576	0.6
137.05940	0.6
137.09645	0.8
145.04930	1.2
159.11595	0.6
191.08517	1.4
205.06448	1.0
207.07974	1.4
208.08849	0.7
209.09651	0.7
215.14406	0.8
219.07973	1.3
220.08849	0.7
221.06026	0.9
222.06758	0.6
225.09068	2.0
233.05995	1.1
235.07541	2.3
236.08244	3.3
237.09073	17.5
239.07053	0.7
247.07497	0.8
248.08229	0.6
249.05458	1.1
249.09041	1.7
250.06105	1.0
251.10686	2.2
252.11507	0.7
253.08582	8.6
263.06985	2.3
264.07800	1.9
265.08582	54.5
266.06006	0.6
266.09033	2.3
267.06543	0.5
267.10196	1.7
279.10202	4.0
280.10934	96.3
281.08105	39.2
281.11282	3.9
282.08801	2.4
296.10422	56.7
297.10681	2.8
311.12759	100.0
312.13144	2.8
328.15262	1.0
461.37259	0.6
473.18066	29.2
474.18344	0.8
490.20465	1.9
519.56549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.3
58.06598	28.6
69.03428	1.4
71.01641	1.2
74.44601	0.5
85.02907	1.4
89.50906	0.4
93.26644	0.6
97.02940	0.8
134.38409	0.5
137.05994	1.4
162.09146	5.0
165.07021	1.5
166.07870	0.6
174.09195	1.1
177.07867	2.1
179.08643	0.5
181.06470	1.2
182.07289	0.5
183.08119	1.6
190.08638	5.1
191.09462	7.9
192.10196	17.0
194.07277	1.2
200.08331	0.8
205.06488	5.0
205.08284	0.8
207.07932	0.5
209.09708	0.9
210.06786	0.8
211.07552	8.7
212.08331	1.9
213.09044	1.1
215.10677	0.9
221.05989	1.2
222.06700	2.9
223.07376	0.8
225.09163	2.2
227.06970	3.0
228.07841	2.3
233.05986	3.2
234.06720	1.2
237.09096	10.7
239.07010	5.1
240.07860	0.7
242.09399	0.9
243.10182	7.9
250.06238	1.8
251.07057	2.1
253.08618	1.7
253.10994	0.8
254.09370	2.7
255.06528	3.7
256.07327	0.6
257.11713	0.7
265.08588	13.3
266.09338	4.5
267.06516	2.6
268.07330	0.7
268.13428	0.9
269.12039	0.6
270.08850	4.6
271.09680	7.2
282.08871	5.3
285.11240	8.7
296.12872	1.2
297.11209	10.1
328.15445	28.2
329.15686	0.8
490.20703	100.0
491.21149	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	490.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57432	0.5
53.03926	0.5
54.60713	0.4
55.05514	0.6
61.37818	0.5
67.05511	0.9
68.65360	0.5
69.03411	0.6
69.07056	1.0
69.89114	3.2
70.06580	2.1
76.04902	0.5
79.05447	0.6
81.03407	0.6
81.07045	2.0
84.08162	0.9
85.02910	1.8
85.06536	1.3
91.05477	1.5
93.07040	0.9
95.04981	0.5
95.08598	1.1
98.21535	0.6
99.04491	0.9
105.07011	1.6
106.07340	0.7
107.08572	1.0
109.06533	0.5
109.10146	0.7
119.08592	1.7
121.10136	1.4
129.06946	0.6
131.08597	3.0
137.06017	0.7
145.10072	0.8
147.08029	2.0
147.11681	0.5
149.64284	0.5
150.22617	0.5
151.07530	3.5
161.09557	0.8
162.09961	1.2
165.07007	1.5
166.07809	1.2
171.11697	1.2
177.05571	0.5
177.07018	1.6
178.07814	2.5
179.08522	1.5
189.12773	5.7
194.07271	7.4
195.08075	2.2
196.08774	1.9
206.07227	1.2
207.08165	1.1
207.10085	0.5
207.13826	5.2
208.08864	1.1
209.09625	21.8
211.11169	1.5
221.06108	0.7
221.09645	0.9
222.06717	1.7
223.07545	19.7
223.09772	1.0
224.08284	3.7
224.10463	1.0
225.11162	0.7
225.14827	1.3
235.07585	0.7
236.08336	1.2
236.10696	0.7
237.09120	13.8
239.07135	0.7
239.10637	3.1
242.11876	0.6
249.09015	0.6
251.07065	13.1
252.07771	2.7
252.10188	1.2
267.10172	64.7
268.10416	1.8
280.09683	25.0
301.11234	0.5
310.10739	100.0
311.10999	2.7
328.11813	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	489.3577
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03951	2.2
55.01879	1.6
55.05515	15.4
57.03436	3.8
57.07071	1.5
59.04993	1.8
62.23935	1.1
62.54129	1.0
65.03934	3.0
67.05505	73.3
69.06762	1.4
69.07076	12.5
69.51043	9.5
71.04986	3.1
79.05061	2.2
79.05494	31.1
81.07055	34.1
83.04981	1.2
83.08630	7.3
85.06535	1.9
91.05479	23.3
93.07046	33.3
95.04976	4.0
95.08605	23.6
97.06541	4.2
97.10178	3.6
99.08141	1.4
105.07032	19.4
107.08595	17.9
109.06530	2.0
109.10152	46.7
110.26703	1.1
111.08087	3.3
117.07008	6.8
119.08582	26.5
121.10140	12.9
123.08125	1.2
123.11690	1.7
125.09646	2.1
129.07001	4.1
131.08575	15.6
133.10141	15.7
135.11696	9.6
137.09608	3.8
139.11224	1.5
141.06993	1.8
143.08577	4.8
145.10143	15.0
147.11684	11.0
149.13255	5.0
155.08551	2.6
155.10580	1.6
157.10153	4.3
159.11687	11.2
161.13243	6.2
169.10205	1.9
171.11737	4.0
173.11754	11.4
173.13300	8.9
175.14865	3.3
181.08644	1.5
183.11745	2.8
185.11842	1.1
185.13231	5.6
187.14790	2.9
197.13304	2.9
199.14848	3.2
201.16425	2.1
211.15044	1.5
214.95528	1.3
217.16106	1.3
241.19473	1.6
259.20432	1.4
261.22107	3.7
274.43292	1.3
299.23566	1.8
363.25223	1.4
377.26834	2.0
379.29993	7.5
397.31094	11.1
415.32178	4.1
433.32977	2.1
453.33136	1.5
471.34628	11.3
489.35797	100.0
490.35974	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03942	2.2
55.05514	16.3
57.03433	3.5
57.07057	2.8
59.05003	2.2
65.03925	2.5
67.05504	76.1
69.03404	1.1
69.07066	14.3
71.04978	3.2
72.40916	1.0
79.05490	27.9
81.07056	40.2
83.04993	2.1
83.08623	9.0
85.06534	2.0
90.27675	0.9
91.05479	25.9
93.07041	36.8
95.04967	3.8
95.08612	25.9
97.06526	2.4
97.10175	3.6
99.08104	1.7
105.07037	21.4
107.08588	18.1
107.44070	1.0
109.06508	1.2
109.10153	45.3
111.08103	2.2
116.17144	1.0
117.07001	8.2
119.08578	28.5
121.10142	17.8
123.08083	1.6
123.11698	2.7
125.09609	2.8
129.07008	3.9
130.07800	1.0
131.08572	17.1
131.53093	1.0
133.10130	16.4
135.11682	10.5
137.09637	3.6
141.06973	1.6
143.08557	5.0
145.10112	15.7
147.11676	10.1
148.86829	1.1
149.13281	5.8
155.08588	3.2
155.10651	2.2
157.10173	5.6
159.11685	10.8
161.13271	5.9
169.10106	2.7
171.11703	4.5
173.11740	12.9
173.13289	7.9
175.14818	3.3
181.10150	1.4
183.11685	3.4
185.13277	4.6
187.14838	4.5
195.11600	1.5
197.13280	2.9
199.14851	3.0
201.16362	1.4
213.14793	1.3
239.18199	1.6
241.19739	1.5
261.22165	3.9
273.22025	1.7
285.22202	2.4
297.22247	1.4
299.23557	1.5
303.23755	1.2
317.24835	1.2
327.23239	1.2
336.61526	1.0
341.24725	1.0
356.85767	1.3
377.26797	1.3
379.29858	8.1
391.28720	1.5
397.31039	13.1
415.32074	4.0
431.32193	1.2
471.34760	13.6
489.35779	100.0
490.36081	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03925	3.4
55.01861	2.8
55.05505	21.8
57.03428	4.5
57.07069	2.5
59.04976	3.0
65.03951	1.9
67.05499	65.9
69.07063	16.8
71.04984	4.4
71.64988	3.3
76.92480	1.5
79.05482	34.1
81.07054	41.0
83.04977	3.6
83.08584	8.1
85.06551	3.0
88.02119	1.4
91.05470	28.3
93.07038	31.8
95.04950	4.5
95.08599	31.9
97.06519	2.7
97.10173	4.6
99.08105	1.9
105.07027	31.7
105.07676	3.0
107.08595	20.8
109.10147	34.8
111.08084	3.6
117.07025	12.0
119.08584	29.5
121.10141	17.2
123.08079	2.6
123.11678	2.6
125.09609	3.4
129.06999	6.2
131.08556	19.4
133.10129	21.8
135.08031	2.3
135.11667	9.3
137.09554	3.1
139.11197	2.4
141.07048	2.3
143.08559	6.5
145.10120	20.1
147.11659	15.2
149.13292	5.9
155.08572	4.0
157.10072	8.6
159.11703	13.9
160.53470	1.7
161.13202	8.0
163.11125	1.9
163.12970	1.6
163.14864	3.4
167.08429	1.6
169.10167	5.0
171.11728	5.0
173.11722	9.6
173.13275	9.6
175.14912	3.0
183.11662	2.9
185.13287	7.6
187.14828	5.3
197.13277	5.1
199.14780	3.8
201.16344	1.8
203.14398	2.1
213.16513	2.8
225.16472	2.7
241.19548	2.0
259.20456	2.0
261.22040	3.4
273.22253	3.2
285.22159	2.6
299.23639	2.0
377.27014	2.6
379.29959	9.3
397.31018	15.4
415.31982	6.2
471.34912	14.1
489.35782	100.0
490.36462	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	2.3
55.05511	21.2
57.03431	4.7
57.07073	4.9
59.05000	1.9
65.03944	2.1
67.05502	41.2
69.07078	14.9
71.04958	3.1
77.03924	1.3
79.05495	29.6
81.07057	36.9
83.04990	3.4
83.08614	9.4
85.06537	1.4
91.05482	26.3
93.07039	28.9
95.04976	5.1
95.08605	26.5
96.52598	1.1
97.06538	3.0
97.10167	6.6
105.07029	35.3
106.42059	1.2
107.04964	1.6
107.08591	16.5
109.06510	2.9
109.10143	17.8
111.08069	1.9
115.05496	2.3
117.07038	11.0
119.08580	42.6
121.10149	13.5
123.08078	2.5
123.11673	2.1
124.87807	1.2
125.09654	3.0
128.06250	3.6
128.54791	1.2
129.06993	8.4
131.08557	24.8
132.59944	1.3
133.10130	15.3
135.11691	5.5
137.09573	2.4
141.06989	3.3
142.07761	2.8
143.08559	14.2
144.09238	1.4
145.10123	25.4
147.11690	13.1
149.09636	1.7
149.13281	3.0
155.08571	7.2
157.10141	14.5
159.11693	14.3
161.09650	1.6
161.13312	6.9
163.11174	1.3
167.08592	1.5
169.10190	7.2
171.11693	8.1
173.11853	2.7
173.13315	11.0
175.11255	2.6
175.14856	5.8
181.10088	2.0
183.11705	10.2
185.13228	8.2
187.07593	2.9
187.14781	6.8
189.16489	2.7
193.10107	1.8
195.11720	2.5
197.13309	5.1
199.14809	7.9
201.12766	3.6
201.16454	4.5
209.13251	2.2
211.14897	3.7
213.16499	4.9
225.16396	2.7
227.18063	2.1
229.12241	9.4
239.18143	1.6
241.19554	1.5
253.19518	1.4
259.20734	2.9
261.22141	2.3
267.21115	2.3
271.20633	1.5
273.22195	1.4
274.31451	1.8
285.21988	2.0
289.21536	1.5
299.23676	1.5
303.23236	2.2
309.22052	1.6
317.24805	2.1
337.25046	1.6
377.27036	5.5
379.29913	16.0
391.28555	3.3
397.30991	29.0
397.35739	2.2
415.32361	4.0
429.28058	2.6
433.33096	3.1
435.32553	2.2
453.27591	1.3
471.34744	16.2
472.35379	1.7
489.35904	100.0
490.36472	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	489.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98884	2.3
53.03943	4.1
55.01864	2.9
55.05508	12.0
57.03423	4.6
57.07067	7.3
61.02916	3.9
67.05503	28.6
69.03429	15.7
69.07072	31.3
70.06516	14.0
71.04993	2.9
73.02901	3.8
79.05488	17.3
81.03426	4.6
81.07053	100.0
83.04980	1.9
83.08601	13.3
85.02908	38.7
85.06543	30.5
86.27767	2.2
87.04465	2.5
91.05481	10.7
93.07045	29.6
95.04959	2.8
95.07990	4.6
95.08601	82.3
95.79932	1.8
97.02894	11.0
97.06538	4.1
97.10170	8.9
98.20839	3.3
99.04465	3.1
99.08084	23.5
105.07048	12.9
107.06093	11.0
107.08585	34.3
107.51683	2.0
109.02872	3.2
109.07670	9.8
109.10148	49.2
109.10843	3.7
111.08089	7.4
111.11707	6.5
113.09641	7.4
119.08567	8.0
121.10141	28.1
123.11702	30.8
125.09624	4.4
125.13216	2.2
127.03917	9.1
127.11223	2.5
129.12743	2.6
131.08636	2.9
133.10130	9.2
135.11696	27.2
137.05965	4.6
137.13239	13.2
139.11183	2.1
145.04973	4.6
145.10136	2.2
147.04388	2.9
147.11711	6.6
149.13248	32.8
151.14809	4.5
157.10004	2.9
161.13251	6.0
162.05423	2.2
163.14815	32.5
165.16422	5.9
167.14359	3.2
175.07555	3.2
175.11255	1.8
175.14857	2.3
177.09242	2.0
177.16354	15.0
179.17903	3.4
181.15857	2.5
189.16406	4.6
191.17998	5.6
195.17485	5.0
197.19049	3.1
203.10724	2.6
203.17920	5.8
209.18942	2.6
217.19496	7.4
221.18956	2.5
221.59853	2.0
235.20471	2.9
247.24200	4.6
256.13156	2.5
261.25793	2.6
265.25385	2.3
273.25705	10.7
279.26828	3.9
282.14838	2.7
283.14386	9.7
285.73938	2.1
291.26776	39.8
300.15918	23.3
309.16028	6.5
309.27948	12.2
327.17014	40.0
327.28998	4.5
328.17618	2.5
380.21341	2.3
489.22437	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	489.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.05509	55.7
57.07054	5.4
67.05507	27.7
69.03416	14.6
69.07072	41.9
70.06589	6.1
71.04980	10.2
79.05476	12.6
81.03377	7.5
81.07050	69.5
83.08588	10.2
85.02895	11.7
85.06541	15.1
90.10942	4.3
91.05463	17.7
93.07030	21.1
93.21284	5.2
95.04981	10.3
95.08603	51.4
95.40077	5.7
97.02866	6.0
97.06534	25.5
97.10164	100.0
99.08067	9.0
105.07022	23.9
107.04937	8.5
107.08614	26.1
107.09228	4.9
109.06528	8.6
109.10159	29.1
111.08095	6.0
119.08594	18.7
121.06516	9.5
121.10135	23.9
123.04452	4.7
123.08045	10.0
123.11724	34.5
123.28811	4.4
125.09635	23.8
130.76851	5.0
131.04945	5.9
131.08517	6.5
133.02869	7.7
133.10077	14.7
135.07983	6.2
135.11668	17.3
137.05951	42.0
139.11195	27.8
140.65825	4.6
141.39789	5.3
143.10678	22.5
145.10173	6.2
147.11681	15.7
149.13310	9.8
151.07549	11.2
151.14757	5.9
157.12254	12.0
159.07991	5.6
159.11710	9.3
161.06029	7.6
161.13249	9.1
163.03897	5.2
165.09114	17.5
165.12759	14.2
167.07048	23.6
175.14946	6.1
181.04930	12.8
187.07567	6.2
189.09172	6.8
189.11188	12.3
195.08020	4.7
197.65831	4.7
200.08525	5.6
213.09143	5.9
218.84340	4.8
257.13928	16.0
285.13330	17.9
285.22064	6.2
303.23151	13.6
321.24258	19.4
335.12830	6.9
339.12177	12.1
418.13919	13.4
435.27298	8.2
441.28558	5.3
453.28360	22.3
471.17813	10.6
473.54514	5.6
489.18793	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	489.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05510	17.8
67.05499	27.5
67.41343	3.7
69.03426	10.3
69.07063	12.9
70.43151	16.3
70.43488	4.3
71.05010	20.3
79.05485	17.6
81.07053	61.1
83.08604	9.1
85.02908	6.4
85.06550	10.0
91.05475	17.8
93.07040	52.4
95.04946	12.3
95.08609	59.1
97.06551	8.3
97.10175	12.1
99.04449	13.7
99.08086	9.6
105.07032	100.0
107.08588	40.1
109.06513	8.4
109.10159	44.5
111.08076	8.0
111.10328	4.7
111.11686	4.1
117.06966	5.0
119.08572	42.3
120.09718	4.7
121.06413	5.2
121.10162	28.8
123.08031	6.4
123.11698	14.9
125.09603	10.2
131.08565	10.4
133.04982	3.8
133.10143	59.6
135.11688	34.9
137.09557	4.8
139.11151	3.8
143.08551	9.6
145.10117	23.6
147.11696	38.4
149.13229	15.0
151.11197	15.3
157.10109	5.3
159.11696	20.5
161.09656	51.9
161.13255	16.1
163.11218	17.5
163.14818	10.1
165.12756	11.7
171.11670	5.4
173.13329	11.9
175.14787	14.3
179.10728	20.7
187.14891	11.6
189.09105	14.5
191.14310	17.1
193.15900	5.9
201.16397	5.4
202.55049	4.8
207.10286	5.7
209.15419	16.8
214.13470	4.6
217.55696	4.3
257.22665	5.9
267.21057	4.7
273.22043	9.4
285.22070	14.7
291.23306	22.3
291.26147	5.0
293.13867	15.3
303.12073	4.8
303.23212	27.8
321.24365	11.5
339.25259	4.0
386.41043	4.8
417.26196	4.5
423.27707	6.8
435.27420	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	489.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01838	1.1
55.05504	11.7
56.39880	1.1
56.84963	1.0
57.03427	2.9
57.07062	1.4
65.03935	1.0
67.05167	2.0
67.05500	30.4
68.57388	0.9
69.02892	0.9
69.07066	8.3
69.41298	7.0
69.41718	3.1
69.83326	0.9
71.05017	1.4
71.08656	1.0
79.05482	17.0
81.07045	25.2
83.04943	1.1
83.08614	5.9
89.67609	1.0
91.05472	22.6
93.07037	30.9
95.04951	3.9
95.08596	19.9
97.06497	2.1
97.10151	2.5
98.21469	1.7
103.05450	1.8
105.07025	36.5
107.08584	23.7
109.06508	3.4
109.10147	16.1
112.33475	1.1
115.05441	4.5
116.06224	1.4
117.07015	10.4
119.04884	1.3
119.08574	32.0
121.06524	2.4
121.10137	13.8
123.11709	1.3
128.06209	14.2
129.07018	10.4
130.07741	2.5
131.08559	27.0
133.06441	1.6
133.10117	14.0
135.11684	4.8
137.09569	1.7
141.06982	6.6
142.07770	11.4
143.08548	39.2
143.09676	1.9
144.09288	3.2
145.06471	3.3
145.10110	28.1
147.08026	2.2
147.11668	10.7
149.13246	1.9
153.07002	3.9
154.07765	1.6
155.06004	1.3
155.08559	14.2
156.09343	4.3
157.10114	28.7
158.10838	3.3
159.04384	1.3
159.08066	8.2
159.11678	25.7
161.09622	1.5
161.13232	5.4
163.11153	1.3
165.06996	2.7
166.07811	1.3
167.08562	2.8
168.09322	10.1
169.10097	8.6
170.10835	1.2
171.08014	2.8
171.11671	13.6
173.05936	3.4
173.09599	4.4
173.11737	3.3
173.13257	14.4
175.11168	4.3
175.14812	3.6
179.08459	1.4
181.10081	5.0
182.10869	1.3
183.10229	1.8
183.11719	24.0
184.12305	1.7
185.09654	1.1
185.13246	10.2
187.07545	33.8
187.11168	3.0
187.14839	5.1
189.09059	1.3
193.10114	4.4
195.11703	4.7
196.08827	2.3
196.66527	1.1
197.09619	1.6
197.13220	6.0
199.11166	2.6
199.14809	21.1
200.15529	1.6
201.09056	1.6
201.12729	25.2
201.16338	10.7
207.11708	2.1
209.13155	2.1
211.11209	9.9
211.14790	5.2
213.12726	3.2
213.16399	5.9
215.10696	3.0
217.12173	1.5
219.11659	1.8
221.13185	2.3
223.14787	2.5
225.12640	1.4
225.16350	2.5
227.10641	9.0
227.17863	1.8
229.12219	100.0
230.12613	2.3
231.13811	4.3
233.13171	2.0
235.14735	2.4
237.16406	2.0
239.17789	1.3
245.13326	2.0
247.14767	2.0
253.12273	2.0
253.15746	1.0
255.75206	1.1
263.17856	1.3
273.22061	1.4
279.86685	1.1
285.16235	1.8
285.22098	1.2
299.23636	1.7
377.26819	2.8
379.29883	7.5
383.27203	4.3
391.28448	1.4
397.30954	8.9
401.28226	3.5
411.26654	5.0
415.32068	3.9
429.27921	15.9
433.33093	1.3
471.28653	2.4
471.34625	7.6
489.29779	13.6
489.35672	45.0
490.35989	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.1
53.03943	9.1
55.01870	13.9
55.05507	32.5
57.03420	6.2
57.07081	2.5
59.04989	3.5
65.03920	5.4
67.05503	67.0
69.03427	2.9
69.07063	15.3
71.01360	2.0
71.04986	10.6
71.65004	2.3
72.08143	2.4
79.05489	100.0
81.03418	26.2
81.06571	4.1
81.07053	71.7
83.01322	7.7
83.04979	26.2
83.08617	16.1
85.02898	5.1
85.06519	3.7
91.05476	93.3
93.07043	89.9
95.04961	31.6
95.08605	38.0
97.02878	5.4
97.05979	1.5
97.06502	10.6
97.10184	8.4
97.12262	1.7
103.05445	3.7
105.04488	4.1
105.07027	59.9
107.04949	19.9
107.08584	31.7
109.06509	14.3
109.10152	6.0
111.04431	6.1
111.08076	2.3
115.05433	4.0
117.07008	22.0
119.07785	2.5
119.08580	38.5
121.06491	5.7
121.10153	13.2
123.08068	15.2
123.11658	1.6
125.06027	2.3
125.09608	4.6
127.07523	2.7
128.06216	3.8
129.07001	19.6
130.07767	2.4
131.04849	1.9
131.08580	13.0
133.06473	2.9
133.10103	12.6
135.08044	5.4
135.11687	14.0
137.09755	2.2
139.07584	2.4
139.11252	2.1
143.08565	15.2
145.06456	2.2
145.10110	24.5
147.08014	5.7
147.11684	39.1
149.09622	2.7
153.12756	4.7
155.08519	3.6
157.10117	2.0
159.11685	1.9
161.09625	3.3
161.13225	13.4
163.11176	32.6
171.11687	32.4
173.09569	3.6
181.12241	4.2
189.12711	12.2
191.10652	4.5
207.13803	31.3
209.11736	6.1
225.14948	2.6
227.12773	6.8
281.17358	2.9
397.23184	2.0
471.27420	7.7
489.28445	61.3
490.29175	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	489.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01862	3.1
55.05504	2.0
57.03440	6.9
61.02925	10.4
67.05493	2.1
68.05016	3.0
69.03431	26.0
69.07070	2.2
70.06591	13.3
70.44479	2.7
70.44850	1.5
71.01353	1.5
71.04985	1.4
73.02916	5.9
79.05500	1.7
80.05028	4.9
81.03413	4.1
81.07040	5.7
82.06586	1.0
83.07355	0.9
84.08123	1.2
85.02905	56.4
85.06554	1.0
87.04462	2.1
91.03940	4.0
91.05489	1.4
93.07067	2.0
94.06576	1.1
95.08599	3.5
97.02884	10.4
99.04475	4.0
100.44076	0.8
101.02395	2.1
103.03961	1.7
104.04977	0.8
105.07029	2.4
107.06078	26.3
107.08578	3.2
108.06859	3.1
109.02909	2.1
109.07642	30.4
109.10133	3.2
111.04470	0.8
115.03989	1.0
119.06028	1.4
119.08619	0.8
121.07632	3.0
121.10110	1.7
123.11670	1.9
127.03907	13.8
129.07021	1.3
131.06007	0.8
131.08534	1.4
133.04849	0.9
133.07625	0.9
135.11717	2.4
137.05968	2.5
143.08571	1.0
145.04956	6.5
145.10120	1.4
147.08141	0.9
149.07124	3.2
152.00114	0.9
157.10165	1.4
159.07982	1.6
161.05908	1.6
161.09636	1.4
163.03883	0.8
165.05367	0.9
175.07555	4.0
177.09149	4.9
186.05461	1.8
187.07509	1.6
189.09128	1.6
191.10660	0.9
198.12804	1.0
201.09204	1.8
203.10690	5.4
207.52208	0.9
212.07013	1.4
212.10666	1.0
214.08704	1.6
216.10133	1.9
221.11810	1.3
228.13866	1.4
238.12308	3.0
240.10168	4.9
242.11884	1.0
247.74971	0.8
253.13467	1.4
254.11757	3.9
254.15535	0.9
255.12390	2.5
256.13306	6.7
256.17191	0.9
263.11722	2.3
264.12509	1.8
265.13315	4.2
267.11401	1.6
272.16470	1.3
281.12952	3.4
281.16394	1.8
282.15015	6.2
283.14392	25.1
283.17590	1.2
284.16626	4.5
291.14819	1.4
291.26767	2.3
299.17572	3.1
300.15948	57.6
309.15988	19.0
309.27908	1.0
311.17621	4.1
327.17032	100.0
328.17471	2.6
462.21500	1.1
489.22330	57.0
490.22363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96586	0.5
58.89875	0.4
69.03429	1.0
70.06587	0.9
71.63061	0.9
81.81742	0.4
84.08143	0.5
85.02903	2.4
88.03972	1.1
97.02898	0.5
114.38033	0.4
123.04464	0.7
127.03957	0.9
135.04373	0.7
136.60403	0.4
137.05956	1.4
147.04477	0.6
163.03926	0.5
164.52954	0.4
165.05571	0.4
213.28770	0.4
221.05040	0.6
242.10338	2.3
243.12724	0.4
245.05078	1.4
261.13516	0.6
270.27338	0.4
275.07419	1.5
279.14407	0.6
327.17844	1.3
359.24277	0.4
395.05573	0.5
462.75580	0.5
471.21951	2.2
489.23050	100.0
490.23804	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	488.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.05492	8.3
57.03448	5.7
61.02914	7.9
63.57361	3.8
67.05000	4.4
67.05486	13.5
69.03423	26.1
69.07065	8.8
69.59048	24.9
70.06587	18.5
71.04982	11.8
71.61182	3.6
72.08151	16.0
79.05479	10.8
81.03403	11.5
81.07061	7.8
82.06546	4.3
83.04977	11.8
84.04501	10.4
84.08146	13.9
85.02904	54.9
86.06087	5.6
86.09702	34.7
87.04472	6.1
89.31509	3.3
89.85229	4.5
91.05473	13.4
93.03384	3.9
93.07035	27.9
93.45982	4.1
94.06557	6.3
95.04978	20.8
95.08582	21.7
96.08137	19.8
97.02890	20.4
97.06523	9.8
98.06070	5.2
98.20849	5.6
99.04446	6.1
102.05551	4.4
105.06989	12.1
107.08581	17.9
108.08126	22.2
109.02829	5.9
109.06527	19.7
110.09693	33.7
112.07595	8.2
113.06001	9.3
119.04987	4.4
119.08559	20.4
120.08100	7.1
121.06493	10.5
123.04401	4.9
123.08055	13.2
124.07580	10.4
125.09627	5.9
127.03929	17.3
129.06927	5.4
129.10231	6.6
131.08586	6.9
133.10168	6.1
135.08054	7.3
136.07547	25.4
137.06033	9.3
137.08374	4.7
137.09570	4.2
138.09148	11.8
143.08533	5.8
145.04947	8.5
145.10101	9.9
147.04405	4.9
147.08064	11.2
149.09645	11.6
153.09064	5.5
154.08647	10.9
155.10669	4.3
156.10226	42.6
156.11366	6.1
157.10098	6.3
159.11661	9.2
161.09612	13.2
163.03886	16.4
163.11229	7.1
164.04305	8.2
165.09132	3.9
169.10088	8.4
171.11690	5.1
173.13179	5.3
175.14714	4.9
179.03358	11.1
179.10759	4.5
180.03720	6.5
183.75462	3.8
187.11067	11.4
189.09207	6.1
197.09529	4.5
201.12596	7.1
204.08856	5.4
205.12210	4.9
206.10278	9.2
207.08144	3.1
207.10213	26.2
215.10652	18.1
217.12181	8.5
219.13683	4.6
223.13359	4.2
226.95619	4.0
227.98990	3.7
229.12108	7.2
233.11681	13.2
235.13414	10.6
244.09177	4.2
247.13301	24.7
253.14372	13.9
264.19586	6.1
265.14331	34.3
272.16373	7.8
273.14935	4.9
283.15378	8.5
290.17484	23.4
291.15765	7.1
308.05289	4.1
308.18524	100.0
326.19565	80.2
393.12683	3.9
470.24057	18.6
488.17856	13.8
488.24768	40.5
488.31290	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01870	8.9
55.05501	20.8
57.03433	6.8
57.07063	6.6
58.06580	7.9
67.05509	27.7
69.03423	19.5
69.07071	26.0
69.31534	62.7
70.06599	11.5
71.04989	7.7
72.08141	7.7
78.80589	6.1
79.05482	21.6
81.03407	18.2
81.07056	72.9
83.04987	15.5
83.08635	6.7
85.02898	33.4
85.06533	23.1
86.09705	40.9
91.05479	21.4
93.07037	37.5
95.04941	13.0
95.08055	7.1
95.08607	60.1
97.02879	25.1
97.06530	15.4
97.10152	9.9
97.17947	5.5
99.08070	11.6
105.07035	28.9
107.08587	29.9
107.44655	6.0
109.10174	35.0
111.04437	7.6
111.08035	7.7
113.09698	6.5
114.13222	5.7
117.03343	9.0
119.08564	24.6
121.10120	20.7
123.08091	26.3
123.11700	13.2
127.03898	16.9
128.03993	5.6
131.08549	7.5
133.10110	26.4
135.04395	19.2
135.08051	5.8
135.11665	22.6
137.06003	8.7
143.08510	7.5
145.02789	11.3
145.10092	8.3
147.11684	18.1
149.13268	14.9
159.11691	12.9
161.09622	20.4
161.13269	10.1
163.03918	100.0
163.11169	7.3
163.14816	8.0
164.04227	11.0
165.12720	6.9
173.13156	6.9
175.14830	6.6
185.13245	5.3
187.14792	5.8
221.15297	8.0
243.13425	7.1
260.10004	6.2
267.13708	10.1
277.25302	6.0
289.25296	17.5
307.26392	20.3
325.27255	10.1
341.14444	6.3
370.02585	6.9
487.20831	21.8
511.68106	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03942	9.9
55.01851	5.3
55.05513	24.1
56.69630	1.3
57.03431	2.6
65.03928	5.8
67.05505	65.5
68.36170	1.6
69.03402	2.0
69.07071	14.1
69.48972	11.9
71.04964	4.2
72.51162	1.1
73.06551	3.0
77.03924	2.1
79.05494	100.0
81.03426	14.5
81.07058	63.1
83.04973	16.1
83.08610	6.6
85.06535	3.1
91.05483	83.0
93.07045	75.6
95.04966	29.9
95.08609	36.2
97.02873	1.6
97.06534	6.8
97.10131	3.8
99.04404	1.6
105.04510	2.7
105.07033	57.9
107.04957	11.3
107.07981	1.9
107.08601	24.8
109.06505	8.5
109.10138	3.3
115.05471	2.1
117.07021	12.4
117.08797	1.4
119.08572	30.9
121.06474	4.2
121.10164	8.0
123.08044	6.5
127.07539	2.4
128.06190	6.2
129.07005	23.5
131.08592	7.0
131.09366	1.5
133.06468	2.9
133.10136	13.8
135.07991	1.9
135.11690	3.7
141.06845	1.5
141.09129	1.7
143.08566	11.7
145.10138	15.7
147.08043	6.0
147.11687	41.2
155.04063	1.1
155.08473	2.3
156.09282	1.4
157.10133	2.9
159.11668	2.6
161.09633	4.8
161.13260	20.8
163.03867	5.9
163.11205	2.8
169.10083	2.9
171.08054	1.2
171.10263	2.5
171.11681	41.1
179.14275	3.5
183.11642	1.5
185.13193	2.0
187.11185	1.2
189.12752	17.3
197.13074	1.5
207.13797	43.1
208.14140	1.7
219.45006	1.6
225.14850	8.3
241.75870	1.2
281.17401	3.7
487.23199	7.3
487.30334	46.3
488.30927	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	487.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58833	1.1
53.03941	2.6
55.01859	4.6
55.05499	2.2
56.96550	1.0
58.06591	2.8
67.05502	10.3
69.03425	3.4
69.07067	10.1
69.19390	1.0
71.01344	1.6
71.04989	3.2
71.65792	1.1
71.66168	1.3
79.05494	12.1
79.83060	0.9
81.03419	1.6
81.07066	2.2
83.04967	3.4
85.02896	2.9
87.04443	2.0
91.05482	3.2
93.07021	2.0
95.04961	9.1
95.08610	2.0
97.02882	2.6
97.06526	100.0
99.04492	1.7
105.05534	1.1
105.07019	2.9
107.08598	1.7
109.10140	1.7
109.22175	1.0
115.03922	2.7
115.05379	1.3
117.03332	1.8
117.06992	1.5
119.08574	2.4
121.10121	1.3
123.84763	1.0
127.03918	1.4
128.06215	3.5
129.06984	3.1
131.04913	1.4
131.08582	2.6
133.02824	1.1
135.04439	3.8
137.30061	1.1
141.07019	3.4
142.07777	1.7
143.03384	3.6
143.08601	6.9
145.02831	2.1
145.06470	3.8
145.10159	1.9
147.04410	1.3
152.06238	1.5
155.08557	2.9
157.06523	2.9
157.10120	2.8
159.11748	2.0
160.05153	1.5
161.04771	1.2
161.05927	6.8
163.03897	24.3
164.84251	1.1
165.06985	1.3
167.07249	1.4
167.08498	5.8
169.06465	2.8
171.08064	3.9
173.05969	3.5
174.06773	2.4
175.07529	3.3
181.06436	1.5
183.04283	1.1
183.08047	2.9
183.11681	2.4
184.08873	1.2
185.06035	2.6
185.09650	3.1
187.07541	4.0
189.09062	7.9
195.08054	6.6
197.05942	1.7
199.07541	7.5
201.05510	1.5
201.09096	2.6
201.12814	1.5
203.10718	2.0
205.10187	1.4
209.07974	1.6
209.09677	2.8
211.07527	3.3
211.11192	1.7
212.08336	2.1
213.05461	1.8
213.09135	9.5
215.07022	6.0
215.10689	1.4
217.08546	1.8
223.07654	2.5
225.09114	1.7
227.07089	1.6
229.08559	1.3
229.12241	2.0
231.10184	4.4
237.97511	1.0
239.06970	1.7
239.10614	1.4
241.08615	8.2
241.12187	6.1
255.10130	1.3
255.13768	1.4
257.11594	1.7
259.09674	10.8
265.12219	3.0
267.13837	2.6
271.09564	1.3
271.13190	1.3
274.62216	1.1
283.10022	1.7
283.13315	3.6
285.14853	3.5
291.13708	1.5
293.11853	1.8
295.13202	1.6
299.12817	3.6
299.16196	2.5
303.08768	1.3
305.10013	2.1
309.14841	7.5
309.60770	1.2
311.12848	13.1
311.16266	2.1
313.14182	5.9
327.15976	8.7
337.14331	11.8
355.11227	2.2
355.15381	32.2
427.17435	4.5
441.19150	3.0
451.17523	1.5
453.31375	1.1
469.18805	7.4
487.19711	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	487.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	18.6
61.02918	3.3
69.03421	7.6
70.06578	7.4
71.04982	2.8
71.24660	4.1
73.02892	4.4
81.93077	2.1
84.08102	4.2
84.96020	7.4
85.02908	20.0
87.54730	2.1
97.02879	9.5
98.97578	51.1
99.32136	2.0
110.97559	9.3
112.04347	4.1
112.05086	61.7
112.99136	51.8
116.98615	21.7
119.01844	4.6
121.54126	1.8
124.26382	2.1
127.03928	3.0
128.98599	15.7
131.00175	74.6
131.01805	4.1
133.03458	5.5
134.99629	6.9
135.03209	2.9
140.98610	2.0
142.06653	2.1
143.00168	5.4
145.01695	3.3
146.99673	10.7
149.01212	43.8
155.00172	4.7
157.01781	2.5
157.03517	2.6
158.99617	13.6
159.04967	2.4
161.01216	5.7
161.02928	3.8
163.02753	3.5
163.03972	4.3
169.04512	2.6
170.99641	9.6
171.05109	2.2
173.01231	20.1
173.02965	6.1
175.02789	7.2
177.00684	19.3
178.04912	5.2
179.02266	3.1
187.02702	4.1
189.00729	12.4
189.04326	2.9
191.02251	21.4
191.03790	2.7
193.03854	10.4
195.07155	2.8
201.00752	7.2
203.02267	2.3
205.03661	3.1
207.23767	2.1
209.01059	2.5
209.20547	2.0
211.04854	8.5
215.02325	3.5
217.03870	2.8
219.01749	41.1
231.07190	4.7
233.03363	7.2
235.04639	2.5
237.02803	71.7
244.09335	4.1
245.05049	4.5
247.04794	3.5
251.04216	2.3
255.03932	4.6
259.07568	7.3
261.02676	3.1
263.04257	3.4
265.05902	27.4
274.84369	2.2
275.04251	12.7
279.03934	6.8
281.05331	10.1
283.07022	23.5
293.05380	16.3
295.06522	2.2
307.07037	38.6
321.10400	17.3
323.10083	3.4
325.08179	10.7
337.07993	100.0
355.09113	96.8
355.13571	4.7
367.02890	2.1
378.10605	5.8
426.09152	2.5
427.11398	2.3
469.12363	14.3
477.72357	2.5
487.12418	13.2
487.19336	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	23.8
57.03433	3.4
61.02913	3.2
69.03431	9.2
69.84075	3.9
69.84493	9.5
70.06584	5.8
71.04994	3.0
73.02916	5.8
74.56926	1.7
77.91393	1.7
81.03417	2.2
83.34357	2.0
84.96046	12.1
85.02908	15.8
89.03854	2.3
97.02901	8.5
98.97582	55.2
98.98209	3.7
100.99197	2.0
103.11432	1.7
107.04936	2.0
110.97557	12.8
112.05106	7.7
112.99128	35.4
112.99850	3.0
115.02356	2.0
116.98625	30.9
119.01868	5.9
127.03972	6.2
128.98605	17.2
131.00177	60.1
131.01723	2.9
133.03531	4.0
133.18820	2.1
134.99619	11.3
136.98912	1.7
139.04292	1.8
140.98615	3.5
143.00169	5.3
145.01720	4.6
145.04961	3.2
146.99651	12.0
147.04350	2.8
149.01212	36.2
155.00250	4.5
155.01888	1.9
157.01711	4.7
157.03592	2.1
158.99689	24.7
159.04968	2.5
160.00471	1.9
161.01222	6.5
163.02744	3.7
163.03932	14.0
165.00659	2.5
167.02242	2.6
170.99677	9.1
173.01224	25.4
173.02702	2.8
175.02782	5.9
177.00714	33.5
178.04933	8.3
182.03561	2.6
182.99678	4.0
187.02905	3.6
189.00711	17.1
189.04462	2.2
191.02298	25.3
191.03848	3.7
193.00203	6.0
193.03847	7.6
193.05544	2.3
195.01755	3.4
200.04439	3.7
201.00761	10.6
201.02348	1.9
203.02217	2.0
205.03828	3.6
207.01775	10.7
211.04912	6.5
215.02208	3.2
219.01770	30.4
221.03085	3.1
221.05147	2.9
223.04726	1.9
231.07155	3.5
233.03230	10.7
235.01117	2.2
235.04752	3.4
235.06786	2.8
237.02823	46.2
243.01869	2.6
245.05045	5.3
247.04849	8.0
247.07053	2.2
250.07027	4.1
251.04497	2.3
255.03836	2.8
259.07654	9.2
261.02829	5.4
265.05969	60.6
272.06528	7.0
272.92407	2.1
273.08426	2.0
275.04388	8.0
279.03854	19.4
281.05237	4.0
283.07040	54.7
288.07596	2.6
293.05313	15.1
297.04926	3.6
307.06979	100.0
316.02350	2.0
319.06995	6.7
321.04742	2.5
321.10406	17.2
325.08008	28.3
337.08020	81.5
348.09689	4.5
351.06171	2.6
355.09106	69.1
367.09079	4.4
427.11423	2.9
469.12366	13.6
487.12354	7.0
487.19455	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01865	8.0
55.05515	18.0
56.05018	2.4
57.03419	5.1
58.06587	10.1
65.16676	2.7
66.75205	2.4
67.05503	8.0
69.03429	16.0
69.07055	7.8
69.54639	14.2
69.55065	6.6
70.06593	16.3
71.04991	6.7
72.08152	4.4
79.05479	5.6
81.03400	10.8
81.07059	28.7
83.04987	2.9
83.08154	3.1
83.08621	49.6
84.08136	3.4
85.02901	9.3
85.61536	2.3
86.09706	12.9
87.04459	5.9
91.05466	4.4
93.07050	6.0
95.04991	4.8
95.08608	37.2
97.02901	28.7
97.06519	9.6
99.04443	6.0
99.08091	8.3
105.07000	7.6
107.08585	3.1
109.02874	36.6
111.08088	14.4
111.40147	2.6
121.06509	4.8
123.07183	5.6
123.08070	76.4
124.51703	2.9
125.05994	12.4
127.03916	28.9
127.07542	8.3
129.05508	5.2
129.09138	4.2
129.10222	2.9
133.04961	4.9
135.04355	3.7
139.07562	4.1
141.09132	15.8
145.02885	4.4
145.04942	4.7
145.08589	14.2
147.04436	4.7
151.07544	100.0
157.04994	12.5
157.08592	10.0
163.03923	22.7
169.08620	30.5
175.06052	30.0
175.09650	44.6
184.07318	17.5
187.09657	49.1
187.11292	2.6
215.07045	5.7
216.10754	2.7
225.11121	3.0
235.09784	2.7
235.47429	2.7
243.12253	6.8
254.53052	2.4
255.12500	2.8
259.09448	3.7
259.11801	7.7
261.13171	3.0
265.10727	14.6
271.11777	25.7
273.13141	2.7
277.12860	3.2
283.11829	36.4
289.12866	5.6
301.12775	30.1
319.13885	4.9
324.05200	3.2
332.47623	2.5
337.07007	3.2
415.15811	7.5
433.17032	30.1
451.18173	4.6
486.25320	12.2
487.19189	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	485.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.3
57.07075	37.8
62.16713	5.6
67.05501	83.8
69.07067	44.7
71.08620	19.1
71.25787	6.9
71.26138	6.2
81.07057	99.3
81.96388	4.6
83.08617	48.1
85.10166	4.9
87.04457	8.5
93.60366	5.4
95.08601	100.0
97.10172	57.9
109.10152	58.2
111.11718	20.9
123.11698	28.2
125.13274	14.9
133.10135	6.9
137.13264	13.8
150.94374	5.3
151.14893	5.2
153.20894	6.7
179.17960	8.6
197.19067	7.1
209.60770	5.9
246.85333	4.5
247.92337	5.2
284.26743	5.3
431.46182	12.8
449.47433	9.9
485.47623	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	4.0
69.03418	10.1
70.06592	13.6
71.64481	4.3
76.02222	5.9
80.27425	2.5
81.03416	9.4
83.04977	3.0
85.01128	4.5
85.02900	13.2
86.06085	3.0
88.03996	6.3
89.00610	3.0
89.03881	3.6
97.02882	23.4
98.97601	3.5
99.04461	3.8
109.02890	4.6
111.04446	8.4
113.00597	11.9
115.03918	5.5
116.98610	3.5
117.03397	3.5
120.08108	33.4
122.02719	9.7
124.03956	4.4
125.02351	52.0
127.03951	5.1
129.00046	2.9
131.01616	5.2
136.06113	3.1
138.98497	4.9
139.03888	50.4
140.01663	2.7
145.02902	3.4
152.03410	5.0
153.01825	21.3
156.99561	7.1
163.03882	27.1
166.08594	12.7
167.03493	5.0
171.02888	4.5
175.00610	9.8
182.02681	9.8
185.04492	11.9
189.04065	2.8
202.42500	2.8
203.00110	28.3
203.05505	46.5
210.02203	24.6
219.01897	2.7
228.03261	27.0
235.02719	44.6
237.02701	3.8
242.04840	5.3
249.32498	2.6
256.02725	11.3
270.04318	4.1
270.42908	2.5
274.03772	36.6
278.06918	3.7
288.05377	10.7
306.06390	3.7
307.04919	15.8
324.07477	100.0
347.34052	2.7
485.71014	4.0
486.22284	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	485.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
57.03429	7.2
57.07073	22.3
67.05497	8.6
69.07053	7.1
69.95531	6.1
69.95962	9.6
71.08631	18.8
79.05501	5.8
81.07055	12.9
83.08606	4.9
85.10182	11.5
91.05455	4.3
93.07030	4.5
95.08602	12.9
96.08762	2.4
97.10149	4.4
98.98460	8.5
105.07018	6.1
109.10179	5.9
133.10097	3.9
144.47095	2.5
155.01045	6.1
181.32663	2.3
230.12166	3.3
313.27350	100.0
314.27649	3.8
366.24631	2.8
449.26962	2.6
485.21646	2.9
485.33041	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
67.05501	3.6
69.37301	4.2
69.37699	20.1
73.53955	2.0
79.05474	6.1
81.07071	2.4
91.05472	4.4
95.04929	2.4
97.06525	2.2
99.93784	2.1
103.05462	3.8
105.07021	8.7
107.04942	8.6
115.05444	3.8
121.06465	2.2
127.62727	1.7
128.06223	9.0
128.69240	1.6
129.07018	4.0
131.08517	2.4
133.06430	2.7
135.08078	11.1
137.06007	2.1
141.06963	4.2
142.07805	3.6
143.08582	16.2
145.06487	2.5
152.06187	3.1
152.08348	9.2
153.05403	2.1
153.07025	5.9
155.08530	8.7
157.06494	3.9
157.10130	3.5
158.07266	2.4
163.07573	10.2
165.05482	32.1
165.06982	9.1
166.06252	20.3
166.07767	12.6
167.07024	5.1
167.08566	7.5
168.09282	4.7
169.06508	2.6
169.10031	3.4
170.07307	6.6
170.10915	4.7
171.08052	93.2
175.49532	2.0
180.07799	2.4
181.10127	20.1
183.08060	19.3
183.11682	8.7
184.08775	1.9
185.09608	2.5
185.13217	2.9
187.07532	3.0
189.00626	2.4
193.08562	12.3
194.07222	3.6
195.07996	3.5
195.11723	5.2
197.05951	2.2
198.06732	3.8
198.10400	18.2
199.07558	8.3
205.08717	3.6
208.08887	3.1
209.09659	8.6
210.08865	5.6
211.07722	3.9
211.09679	8.3
212.08360	3.5
213.12756	43.3
216.07712	4.6
223.11163	9.3
225.09045	2.3
226.09866	5.0
231.10161	12.8
239.12770	28.7
241.12230	100.0
255.80167	2.2
258.12561	3.6
273.14856	47.9
478.06055	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	485.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01860	5.9
55.05514	4.9
57.03422	4.8
61.02923	3.1
64.91126	1.7
67.05499	15.1
68.99785	2.0
69.03420	22.7
69.07066	9.4
69.63545	16.7
71.04973	6.4
73.02921	2.9
79.05486	8.3
81.03413	21.0
81.07055	22.7
83.04983	2.9
83.08601	4.2
85.02903	33.7
85.72424	1.9
87.00820	15.7
87.04453	2.0
91.05473	8.5
93.07056	14.0
95.04969	22.2
95.08606	20.1
95.26772	1.8
97.02872	18.1
97.06550	13.2
97.10144	3.6
98.20716	2.4
99.04448	7.3
105.01870	10.0
105.07028	27.8
105.97131	1.8
106.07288	2.1
107.04958	3.0
107.08591	11.1
109.02869	20.7
109.06506	8.9
109.10171	16.4
111.08076	3.2
111.11751	3.0
117.07024	3.0
118.93337	1.9
119.08539	10.6
121.10137	11.2
123.04477	3.0
123.08075	8.7
123.11687	6.1
125.09612	3.5
127.03915	27.8
129.01842	3.2
129.84488	2.0
131.08562	6.7
133.10121	7.3
135.11670	5.7
137.09598	16.7
145.04958	4.7
145.10184	13.1
147.08018	2.5
147.11681	9.7
149.09627	6.2
149.13232	6.1
151.11194	3.2
157.10147	2.6
159.02872	7.3
159.11707	6.2
160.52512	1.7
161.05992	2.8
161.09624	1.8
161.13251	29.7
163.11203	3.9
163.14813	7.8
165.69054	1.8
167.07002	4.0
171.11786	2.7
173.13281	3.3
183.11774	2.3
185.13193	2.2
191.17937	4.3
192.10266	2.1
195.11629	2.3
201.16400	14.5
203.14331	2.3
217.23482	2.0
219.17445	56.8
221.15367	3.9
221.18974	4.6
229.12274	2.1
231.05070	4.3
237.18491	100.0
238.18866	3.0
250.08511	2.6
310.10703	8.0
353.00891	2.0
467.22775	7.8
485.17889	3.6
485.23874	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52006	6.2
65.30380	7.6
79.27822	6.8
98.97595	34.2
113.25460	8.3
116.98633	21.5
134.99599	9.9
193.08618	42.4
223.03015	8.6
232.04979	100.0
235.52425	9.9
277.03964	14.8
292.06070	29.8
295.04971	36.3
310.07245	59.3
387.01035	8.1
416.25443	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	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82703	3.4
55.05504	20.7
57.03433	8.6
57.07071	12.3
67.05506	5.0
69.07070	27.4
71.08641	6.9
72.48909	3.5
81.07037	5.5
83.08624	19.7
85.47932	3.6
91.29839	4.4
93.07075	5.8
97.10175	16.8
97.19985	3.7
98.98452	10.4
107.08575	5.3
111.11689	7.7
121.10071	3.8
155.01083	5.6
172.67514	3.6
311.25821	100.0
324.92026	4.8
483.24048	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.2
57.50202	1.4
69.88112	8.6
70.17285	1.3
74.93749	1.2
77.30083	1.4
78.56938	1.2
79.05492	2.9
79.42037	1.3
80.75075	1.4
81.84759	1.3
86.15417	1.2
87.55107	1.3
98.97583	19.6
103.05470	2.7
105.07021	12.9
116.98613	17.2
133.06490	10.9
134.99631	4.2
135.08083	1.6
137.05966	4.8
140.00197	1.5
150.06758	3.2
156.29466	1.4
165.09099	12.5
179.72964	1.5
193.08597	49.6
223.02798	4.3
232.04959	100.0
277.03812	13.1
292.06064	13.2
295.04883	19.9
310.07263	27.3
318.06543	1.9
330.87415	1.4
333.08862	2.9
485.15045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01864	10.3
55.05510	5.6
57.03422	5.8
59.04977	1.8
61.02917	4.3
67.05492	9.3
68.99788	3.6
69.03053	2.9
69.03422	29.1
69.07053	2.8
70.04137	9.1
70.06594	6.7
71.04991	4.8
72.08130	1.4
73.02911	5.2
79.05481	11.4
81.03413	30.4
81.07050	28.5
83.04981	2.7
83.08606	2.0
85.02901	49.2
85.06547	1.9
86.09733	3.5
86.97726	1.4
87.00823	22.3
91.03948	2.2
91.05477	15.4
93.07051	20.9
95.04963	5.1
95.08600	25.6
97.02889	23.7
97.06530	5.6
99.04446	11.3
99.08119	1.6
99.44689	1.5
105.01867	11.4
105.07030	33.6
107.04973	2.2
107.08595	25.7
109.02187	2.4
109.02869	20.8
109.06516	7.2
109.10137	10.0
110.71261	1.7
111.04433	1.9
111.08088	2.7
115.03918	3.2
117.01870	3.5
117.06994	10.4
119.08570	36.0
121.06505	2.4
121.10144	18.2
123.08041	7.3
127.03909	40.5
128.06252	3.3
129.01851	4.7
129.06998	9.0
130.07816	1.7
131.08568	19.6
133.10123	13.7
135.08035	2.4
135.11697	4.6
137.05942	1.9
137.09630	5.7
140.46178	1.6
141.06998	2.0
142.07771	14.4
143.08554	18.0
144.09305	5.3
145.04941	14.7
145.10124	22.9
147.02875	3.4
147.08047	2.7
147.11673	9.0
149.09633	1.8
149.13295	2.6
155.08591	2.5
156.09283	3.8
157.10124	43.9
159.02849	12.0
159.11682	100.0
161.09612	5.7
161.13232	12.7
169.10086	3.9
171.11682	9.9
173.13249	8.1
175.11163	9.2
175.14833	2.9
177.12744	11.6
184.12418	1.9
184.96727	1.6
185.13243	2.7
187.14813	4.9
189.16359	9.4
195.11635	2.4
197.13277	5.0
199.07249	1.5
199.14819	53.3
201.12714	2.3
201.16385	17.7
209.13243	2.2
211.14728	3.4
213.16257	1.6
215.14310	7.1
217.13777	3.3
217.15871	68.6
229.15813	1.9
231.05019	7.2
233.15384	3.8
235.16907	29.8
253.15726	2.0
259.17130	3.6
273.12271	1.7
325.17993	2.0
447.20111	3.5
465.21356	3.2
483.15500	2.2
483.22089	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.7
55.01862	7.4
55.05500	6.3
57.03434	5.7
61.02923	4.8
65.03918	2.3
67.05504	6.8
67.67307	2.0
69.03428	34.0
69.07057	8.7
70.06582	4.6
71.04977	7.7
71.62948	3.8
73.02921	5.3
74.44250	1.8
79.05503	13.2
79.37558	2.1
81.03423	28.8
81.07049	21.0
83.04984	3.6
83.08626	2.1
85.02903	52.3
85.06522	3.1
87.00846	17.2
91.05466	13.8
93.07041	22.9
95.04967	7.3
95.08601	14.7
97.02884	21.2
97.06544	9.5
97.10158	2.0
99.04469	11.7
100.11250	2.2
103.05479	2.4
105.01849	15.1
105.07031	49.6
107.08597	21.3
109.02876	23.7
109.06536	4.8
109.10146	7.1
111.04427	4.0
115.03899	3.1
115.05456	4.5
117.01866	2.2
117.07041	9.7
119.04938	2.6
119.08578	30.2
121.06501	3.3
121.10120	18.2
123.08067	4.2
125.53844	1.9
127.03918	39.2
128.06258	3.6
128.67467	2.2
129.01874	3.7
129.06989	8.0
130.07825	3.7
131.08560	21.7
133.06512	2.3
133.10126	19.5
135.08047	4.7
135.11700	5.4
137.05972	2.3
137.09619	3.8
142.07796	11.5
143.08539	15.7
144.09351	8.2
145.05025	10.6
145.06461	1.9
145.10124	16.6
147.02916	4.3
147.08099	3.5
147.11676	11.4
149.06114	2.3
149.13220	11.8
157.10115	39.8
159.02937	11.4
159.08069	2.6
159.11690	80.0
161.05907	3.4
161.09593	10.7
161.13266	17.4
163.03844	2.5
169.10135	2.1
171.11693	7.7
173.09628	2.5
173.13284	3.3
175.11197	7.3
175.14789	3.7
177.12743	50.4
178.06398	2.6
183.11604	2.0
187.11142	2.1
187.14854	3.2
189.12738	4.5
189.16344	15.8
191.07071	7.0
193.04982	5.9
193.08594	6.8
195.13849	3.4
197.13251	7.3
199.14815	67.8
201.12790	2.9
201.16353	13.9
203.07071	4.8
211.14810	2.6
215.14343	9.1
217.15868	100.0
218.16217	2.5
219.17458	3.2
229.15839	5.1
231.04979	6.7
233.08170	5.9
235.14714	4.2
235.16931	63.2
247.09564	2.7
259.09647	8.3
273.11340	2.5
291.12402	3.9
339.94736	2.1
465.21512	4.1
483.22433	20.7
483.38818	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01027	1.6
53.03920	1.8
55.01855	4.8
55.05502	4.1
55.29155	1.6
56.71740	1.6
57.03426	5.2
67.05495	5.9
68.03545	2.0
69.03407	6.6
69.07066	21.8
70.31593	7.4
71.04980	4.4
77.80589	1.6
79.05495	19.0
81.03397	3.7
81.07039	7.7
83.04928	2.7
85.02901	7.2
86.09724	1.8
91.05466	3.0
93.07033	4.6
93.90580	2.0
95.04983	4.3
95.08559	4.1
97.02882	3.2
97.06525	64.2
105.07038	3.7
106.88234	1.8
107.04907	2.2
107.08568	3.0
109.06503	3.5
109.10135	2.7
111.08072	8.5
112.08826	2.7
116.15372	1.8
117.03373	3.6
119.08543	3.4
121.10117	4.2
127.03894	4.0
129.09087	3.7
131.08540	3.4
133.02809	5.7
133.10133	2.2
135.04378	7.6
142.07765	4.3
145.02844	7.3
145.10048	2.1
147.04442	3.0
147.11700	3.0
152.06146	2.3
154.79369	1.8
155.19560	2.4
157.10110	5.0
159.04428	6.0
159.11662	5.8
161.02341	16.0
163.03900	43.2
167.07037	2.6
173.02339	96.7
175.75543	2.2
177.05447	6.9
185.05994	4.4
187.03902	4.6
191.03354	14.1
195.08084	3.6
197.05948	2.6
199.03796	3.4
199.14781	5.9
202.07446	2.4
213.09061	4.6
215.07025	94.3
216.07079	1.8
217.15880	6.6
223.07460	3.2
233.07973	5.5
235.16946	3.7
241.08591	51.6
259.06973	4.1
259.09662	69.2
273.11209	100.0
274.09274	3.5
291.12173	4.9
483.21768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01027	1.6
53.03920	1.8
55.01855	4.8
55.05502	4.1
55.29155	1.6
56.71740	1.6
57.03426	5.2
67.05495	5.9
68.03545	2.0
69.03407	6.6
69.07066	21.8
70.31593	7.4
71.04980	4.4
77.80589	1.6
79.05495	19.0
81.03397	3.7
81.07039	7.7
83.04928	2.7
85.02901	7.2
86.09724	1.8
91.05466	3.0
93.07033	4.6
93.90580	2.0
95.04983	4.3
95.08559	4.1
97.02882	3.2
97.06525	64.2
105.07038	3.7
106.88234	1.8
107.04907	2.2
107.08568	3.0
109.06503	3.5
109.10135	2.7
111.08072	8.5
112.08826	2.7
116.15372	1.8
117.03373	3.6
119.08543	3.4
121.10117	4.2
127.03894	4.0
129.09087	3.7
131.08540	3.4
133.02809	5.7
133.10133	2.2
135.04378	7.6
142.07765	4.3
145.02844	7.3
145.10048	2.1
147.04442	3.0
147.11700	3.0
152.06146	2.3
154.79369	1.8
155.19560	2.4
157.10110	5.0
159.04428	6.0
159.11662	5.8
161.02341	16.0
163.03900	43.2
167.07037	2.6
173.02339	96.7
175.75543	2.2
177.05447	6.9
185.05994	4.4
187.03902	4.6
191.03354	14.1
195.08084	3.6
197.05948	2.6
199.03796	3.4
199.14781	5.9
202.07446	2.4
213.09061	4.6
215.07025	94.3
216.07079	1.8
217.15880	6.6
223.07460	3.2
233.07973	5.5
235.16946	3.7
241.08591	51.6
259.06973	4.1
259.09662	69.2
273.11209	100.0
274.09274	3.5
291.12173	4.9
483.21768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20597	1.2
53.30429	1.3
55.05501	2.8
57.03420	2.9
61.02929	1.9
63.47550	1.3
67.05502	2.1
69.07069	19.6
70.54527	4.9
70.64568	1.4
79.05491	11.0
81.07053	4.1
89.03933	3.7
93.07010	1.5
95.04957	2.1
95.08585	2.0
97.02904	1.8
97.06528	84.9
105.07025	1.6
107.04910	1.5
111.08078	3.2
117.03355	4.8
129.09111	3.0
133.02824	2.8
133.10091	1.4
135.04399	6.4
135.08026	1.5
141.06940	1.6
145.02846	6.9
159.04402	7.7
161.02332	24.6
161.09596	1.6
163.03896	57.1
173.02338	50.1
173.03874	1.9
185.05981	3.7
187.07590	1.6
191.03398	7.0
203.07225	1.5
215.07030	86.5
216.07330	3.1
217.15823	2.8
233.08041	3.9
241.08582	17.6
259.09650	30.6
268.70990	1.6
273.11197	16.0
291.12259	100.0
292.12573	2.6
363.58667	1.5
432.02930	1.4
439.22552	5.6
465.17307	1.5
483.22046	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15049	1.2
56.96563	22.5
57.03441	1.6
69.03442	2.1
70.98122	1.4
73.02880	1.2
73.44923	1.2
81.03427	1.8
84.96044	3.4
85.02917	5.6
89.03921	3.0
93.24014	1.2
97.02916	3.9
98.97582	18.7
100.99158	1.5
101.00900	3.6
107.05012	1.5
110.97584	3.8
112.99190	3.8
116.98640	12.9
117.03352	2.0
119.01922	9.3
121.74640	1.3
121.97059	1.3
124.58344	1.5
127.03937	3.3
128.98636	4.1
129.80524	1.2
131.00241	4.6
131.01959	3.6
133.03497	3.2
134.99690	2.8
135.04446	3.2
137.02914	1.2
138.05525	1.5
141.02283	1.6
143.00201	4.4
143.01942	5.3
145.01733	2.5
145.03488	4.4
146.99690	2.5
147.04445	4.0
149.01241	3.8
149.03023	1.7
153.02322	1.1
155.01952	4.9
157.03578	2.0
158.99678	3.9
159.03374	4.3
161.01247	7.6
161.02919	7.1
163.03896	24.0
164.04144	1.7
165.00742	2.2
167.02022	2.0
169.01843	2.1
170.99733	4.1
173.01550	1.9
173.03023	11.3
173.04916	1.6
175.03114	1.3
175.04546	3.6
177.00789	3.9
178.04999	1.6
182.99635	1.3
183.01779	1.7
185.01418	2.3
185.03030	10.8
187.02917	1.8
187.04504	2.6
189.00797	5.7
189.04453	1.9
189.06099	2.0
191.02382	2.6
191.03963	1.9
193.01985	1.4
193.05463	3.6
196.04553	1.4
197.03047	4.6
197.04846	2.9
199.02818	1.4
199.06624	2.0
201.00772	2.9
201.02489	6.0
201.04294	2.7
201.06180	3.3
203.02269	3.1
203.04135	5.3
207.01683	8.2
209.03227	1.8
211.02849	2.6
211.06499	4.3
213.00696	1.5
215.04105	1.8
219.01752	3.4
219.03593	17.8
219.07114	2.0
221.05159	1.8
224.04311	1.4
225.02710	2.0
227.04073	2.0
227.06073	2.5
229.07516	2.3
231.01755	2.0
231.03711	2.0
231.07059	1.6
233.03270	1.8
237.00708	3.3
237.02914	5.9
241.04045	1.3
245.05067	24.5
249.02757	3.3
251.04320	1.9
255.01640	7.0
261.02621	2.3
261.08023	1.5
263.06241	4.2
265.06003	1.9
265.11212	2.1
267.04095	1.6
273.02911	7.8
273.08255	1.9
275.06281	3.8
277.11200	4.6
281.07050	1.9
281.57233	1.9
291.09253	4.8
295.12039	6.1
303.05634	4.9
303.09268	9.1
305.07220	2.4
309.05087	2.3
309.10309	1.7
310.23312	1.2
321.06464	5.2
321.10074	40.0
335.08380	1.5
337.08090	2.8
339.11151	47.4
344.11792	1.8
345.10297	3.4
355.09119	1.4
362.13177	1.6
363.11099	23.0
381.12463	4.5
386.00562	1.5
411.06137	5.2
424.55515	1.6
429.06931	7.2
483.16052	100.0
484.16534	1.5
501.16556	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	17.7
61.02909	30.8
61.47266	22.0
63.00673	19.9
67.04489	20.4
69.03413	31.0
69.64474	100.0
69.64905	73.7
72.08147	65.3
72.77594	24.6
79.05505	27.6
80.12016	19.7
81.07059	50.3
84.08118	29.9
85.02899	47.7
85.75423	20.7
91.05476	33.2
93.07050	36.9
95.08613	51.8
96.77837	20.0
97.02899	23.3
98.21467	37.5
105.07034	72.5
106.76313	21.6
117.07046	25.1
119.08562	53.8
129.10249	33.0
131.08582	51.4
133.10097	35.5
143.08528	45.0
145.10072	31.5
156.09334	24.9
157.10121	51.6
159.11682	97.3
169.10156	22.7
213.12761	23.3
231.13881	71.0
249.14857	88.6
256.48978	20.8
267.15887	54.8
339.11017	44.9
454.99619	28.5
483.15320	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40007	0.2
54.80698	0.2
55.05513	0.9
56.05027	0.9
57.03434	0.7
57.05807	0.7
57.07072	4.0
59.24358	0.2
60.53978	0.2
67.05498	0.9
69.07075	1.3
70.06595	3.6
71.08640	3.1
72.08155	100.0
73.08491	0.5
81.07063	1.0
83.08623	1.0
85.10197	1.6
90.09198	3.6
90.09718	0.4
95.08598	1.8
97.10174	0.5
107.08566	0.3
109.10171	0.8
120.63389	0.2
123.11694	0.3
123.39426	0.2
155.24246	0.2
158.11293	0.2
159.75148	0.2
170.05772	4.2
186.65598	0.2
222.78140	0.2
244.09514	1.0
257.24893	0.2
311.25787	2.3
313.27368	21.5
314.27838	0.5
375.32211	0.2
452.12589	0.2
464.31409	2.2
482.26199	0.3
482.32486	2.1
495.25143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.6
58.91505	0.4
65.10701	0.4
69.69955	3.4
83.30881	0.4
83.37714	0.4
98.97569	6.4
116.98615	6.1
134.99629	3.7
150.97581	0.5
174.97607	3.8
190.95569	0.9
192.98723	5.6
196.94580	0.7
198.97833	0.6
208.96614	1.5
214.95639	1.6
216.98662	2.8
219.02036	0.5
232.96696	12.1
233.96838	0.6
234.99803	6.2
238.95662	1.0
239.96327	0.5
240.98781	1.0
250.97757	15.6
251.97847	0.7
253.01024	0.7
255.98149	0.5
256.96680	13.7
257.96954	0.5
258.01205	0.4
258.99899	6.2
260.00079	1.4
260.99567	0.9
273.98917	0.6
274.97726	59.1
275.97891	3.6
276.97870	1.4
277.00900	9.2
278.01071	1.4
279.00867	1.8
280.96539	3.0
282.97049	0.8
282.99969	9.8
284.00137	1.7
284.99921	1.2
289.96411	0.7
290.95709	0.6
292.98788	16.6
293.98874	1.1
294.98718	0.6
297.99365	2.4
298.97729	49.5
299.97882	1.8
300.97638	1.2
301.01038	20.1
302.01273	3.0
303.00845	3.0
305.00507	0.5
316.00372	0.5
316.98792	100.0
317.98926	4.9
318.98880	1.6
319.02200	1.1
324.02673	1.1
325.46729	0.5
332.96939	0.9
334.99844	4.1
337.00009	0.6
338.95844	0.5
340.00430	6.6
340.98990	1.6
350.97836	0.5
358.99942	5.5
360.99765	0.5
374.97870	3.1
380.97052	1.2
382.01395	0.9
398.97714	2.2
401.01080	3.1
402.01263	1.7
403.01273	0.6
407.00198	1.0
416.98944	10.4
417.99109	1.3
422.97751	5.5
423.97946	0.6
425.01138	2.0
426.01328	0.6
440.00690	1.2
440.98865	50.0
441.98831	3.2
443.02515	8.4
444.02188	1.4
445.01822	0.8
458.99936	80.4
460.00174	4.9
460.99915	1.0
461.99249	0.6
477.00851	1.1
482.01526	11.4
483.01181	6.1
484.01721	0.6
501.03104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05509	7.9
57.03427	6.2
60.05643	13.1
61.02921	3.8
65.03947	1.8
67.05492	10.8
69.03406	3.9
69.07054	2.9
70.06589	55.5
71.00413	3.8
71.00787	2.8
71.04985	5.5
71.06922	10.6
72.08169	7.6
74.51286	1.4
79.05490	13.2
81.03415	28.8
81.07046	13.1
82.06563	2.2
83.04971	6.7
83.08611	10.4
84.08136	23.3
85.02900	11.4
85.08467	5.1
91.05479	17.5
93.07027	9.2
95.04953	13.7
95.08589	5.5
97.02861	5.1
97.06562	1.9
97.07633	3.2
99.04454	1.9
100.07607	30.1
101.07964	8.3
105.07032	11.8
106.43213	1.5
107.04942	3.9
107.08599	7.7
109.06522	3.1
109.10153	13.8
111.04436	1.9
111.08086	5.6
112.08715	3.6
112.11279	1.6
114.10292	7.1
116.07063	3.8
118.98649	1.5
119.08578	9.6
120.08092	3.5
121.10148	3.5
123.08068	1.5
124.92178	1.6
125.09605	1.9
128.07065	40.2
129.07370	9.2
130.09747	11.0
131.08580	7.8
131.10139	2.0
133.10133	4.9
135.11633	2.6
137.05963	2.0
137.09601	21.6
137.38686	1.7
142.07736	1.9
143.08640	1.9
145.10095	4.8
147.08043	1.6
147.11699	6.8
149.09586	2.9
153.12672	2.5
155.10606	1.9
157.10104	8.2
158.09224	8.2
165.09103	12.9
175.11221	6.0
185.13316	2.7
186.13440	1.8
193.12216	23.6
193.13799	2.0
201.11134	3.3
211.13310	18.8
244.63852	1.6
246.60997	1.5
267.15991	6.1
285.16940	78.9
297.13339	8.7
309.46262	1.5
312.49362	1.6
362.44485	1.6
377.21576	3.7
399.20486	1.7
422.24860	3.6
423.21771	2.2
464.26239	1.9
465.24408	3.8
476.00400	1.6
482.26907	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01871	2.2
55.05523	10.3
57.03428	8.6
60.05636	2.0
61.02922	3.8
65.03953	2.1
67.05505	16.6
69.03435	9.6
69.07050	5.8
70.06590	18.1
70.86542	1.9
70.86891	4.8
71.04987	7.8
71.06921	1.8
72.08136	2.5
79.05495	13.8
79.73502	1.9
81.03419	52.4
81.07059	19.0
83.04973	11.8
83.08620	16.2
84.08128	8.8
84.75947	1.5
85.02905	25.3
86.09695	2.2
87.04454	3.0
91.05477	19.3
93.07052	15.1
95.04980	21.1
95.08588	6.5
97.02895	9.8
97.06522	3.4
97.10130	2.4
99.04430	2.7
100.07617	7.8
105.07036	15.4
107.04935	5.9
107.08577	6.7
109.02867	2.2
109.06505	2.7
109.10145	9.6
111.04418	3.2
111.08112	10.9
112.08752	1.8
114.10345	2.0
115.03902	5.2
115.05456	2.2
116.07120	2.0
119.08568	15.1
120.08090	1.5
121.06565	1.8
121.10142	6.2
123.08054	1.7
128.07077	8.3
129.07007	3.8
131.08569	6.6
131.10167	1.7
133.04950	2.2
133.10143	8.4
135.11694	5.2
137.05986	10.6
137.09628	16.4
138.06366	2.4
144.08914	1.8
145.10141	2.8
147.08018	3.3
147.11703	11.0
149.09575	4.8
153.12756	15.8
157.10175	10.9
158.09224	2.9
161.09547	2.1
165.09099	9.4
165.12776	4.1
175.11194	12.5
178.08615	1.9
187.07503	1.8
193.12238	46.7
194.12474	1.7
201.11150	4.0
211.13289	48.6
215.06976	7.6
229.14211	2.3
251.10541	2.5
267.15906	18.8
273.11343	1.9
284.12714	3.9
285.16971	100.0
286.17273	3.2
297.13373	3.8
392.53104	1.8
461.56042	1.8
482.21405	2.4
482.27151	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	482.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
54.03983	0.8
55.01858	1.7
55.05500	2.5
57.03424	1.3
59.79061	0.9
60.05638	1.6
60.51227	0.9
67.05161	1.4
67.05501	17.9
69.03405	3.1
69.07053	1.1
70.06585	8.5
70.36819	3.2
71.05000	4.8
71.06914	1.4
72.08153	1.6
75.04634	0.8
79.05487	1.9
81.03397	2.6
81.07052	12.9
83.04994	1.0
83.08611	1.4
83.23663	0.8
84.08121	4.1
85.02888	2.7
87.04461	2.2
91.05463	2.9
91.65811	0.9
93.07053	6.0
95.04967	2.4
95.08608	10.7
97.02882	2.8
97.06506	5.7
99.04461	1.7
99.08100	1.1
100.07597	4.4
107.08585	4.2
109.06488	1.8
109.10147	66.0
111.04428	1.0
113.05964	1.0
115.03876	2.3
119.08588	3.5
121.10100	2.9
125.05956	7.0
126.38006	0.9
128.07059	6.8
129.07397	1.2
130.54109	1.0
133.04958	3.8
135.11699	6.4
137.09612	100.0
138.09911	1.7
147.08044	1.5
153.12747	4.3
155.10669	20.9
158.09305	1.2
165.09106	69.5
166.09427	1.4
171.13815	8.6
183.06607	1.2
183.10168	12.8
193.12228	2.2
195.73282	0.9
201.11205	51.1
211.13200	1.6
219.12321	1.9
224.90088	0.9
251.12785	2.5
269.13834	10.4
279.12299	8.7
285.16943	8.0
287.14816	2.1
297.13318	50.2
315.14478	6.7
429.17432	4.2
465.24313	1.1
482.26874	17.3
505.38446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63680	1.0
55.01864	2.1
55.05519	1.8
57.03430	2.0
58.40294	1.0
58.46090	1.0
60.05641	3.5
67.05502	19.2
69.03429	3.4
69.07034	0.9
70.06590	16.9
71.04990	4.5
71.06918	2.0
71.63332	1.0
71.63751	2.0
72.08155	2.5
79.05495	2.6
81.03407	1.5
81.07052	13.7
81.07480	1.8
82.92858	0.9
84.08138	8.4
85.02871	2.5
91.05479	1.1
93.07050	3.8
95.04966	4.9
95.08596	11.4
97.02910	2.8
97.06519	3.3
99.04451	1.9
99.08101	1.5
100.07603	9.4
101.07953	2.9
107.08604	3.9
109.10154	67.0
109.77616	1.0
112.08700	2.0
114.10254	2.4
115.03925	1.2
119.08571	2.8
125.06007	5.1
128.07057	9.8
129.07387	3.4
130.09744	2.6
133.04921	1.4
135.11713	2.4
137.09610	100.0
147.08043	1.7
153.12704	2.7
155.10638	20.0
158.09268	2.5
165.09114	60.3
171.13838	2.7
183.06583	1.5
183.10155	15.2
186.38768	1.1
193.12366	1.2
199.71362	1.1
201.11205	41.5
219.12187	1.9
251.12837	3.2
269.13745	9.3
279.12299	6.0
285.16898	2.5
287.14960	1.8
297.13330	40.2
297.16721	1.9
315.14377	4.5
423.21811	1.2
429.17621	2.8
465.24530	1.7
482.26913	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02990	0.8
55.05509	1.1
60.05648	13.2
67.04269	0.4
67.05493	0.9
68.05034	1.4
69.03423	0.4
69.63462	2.2
69.63883	0.7
70.06590	63.5
71.04996	4.4
72.08156	8.1
79.05500	0.5
81.03400	0.6
81.07047	0.8
82.06586	4.7
83.04970	0.5
84.08141	28.7
85.06525	0.7
85.07670	0.9
87.07977	0.9
91.04881	0.3
91.05491	1.5
93.07030	0.8
95.06066	1.0
95.24661	0.3
97.07653	4.2
98.06017	1.7
98.09686	0.6
99.04462	0.6
99.09234	1.1
100.07613	39.4
101.07957	0.4
105.07009	2.3
107.08587	0.5
112.08728	4.4
113.07145	0.9
114.05560	0.7
114.10293	9.1
116.07094	5.4
117.06997	1.6
119.08578	1.6
125.07137	0.8
126.05608	0.4
127.08692	2.8
128.07076	55.5
129.07045	1.3
130.07755	0.7
130.09761	13.2
131.08551	2.1
133.10127	0.6
141.06812	0.5
142.07753	1.0
143.08562	3.6
143.12930	1.1
145.06488	0.4
145.10127	4.7
155.08502	0.6
156.09178	0.4
157.10126	2.8
158.09242	10.6
158.10559	0.6
159.07933	0.7
159.11749	1.0
169.10106	0.5
170.09241	2.7
171.07779	0.5
171.11693	1.1
175.12032	3.4
183.11719	0.7
185.13239	3.8
187.11859	0.7
189.12761	0.3
199.11156	0.5
201.12732	0.5
203.14171	0.5
215.10838	0.5
217.12233	1.3
229.12242	0.7
232.13239	0.3
246.14854	0.5
271.22388	0.3
285.16968	0.6
293.30978	0.4
316.19101	0.6
318.20627	0.4
324.18240	0.7
339.52670	0.4
342.08569	0.4
344.18546	0.4
362.19540	0.6
376.21210	3.2
378.22815	0.8
403.23672	0.7
404.21088	0.7
421.24451	2.8
422.21722	4.7
437.27652	0.5
446.22766	0.5
463.25702	2.2
464.23901	4.1
481.26559	100.0
482.26929	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05014	0.5
60.05353	0.7
60.05645	10.9
62.34633	0.5
67.05498	1.1
68.05013	1.1
69.03421	1.6
70.06587	54.1
71.04984	4.1
71.06903	0.6
71.15009	0.9
72.08145	9.1
72.54638	0.6
73.02903	0.8
79.05492	0.9
81.03399	0.7
81.07020	0.9
81.92646	0.4
82.06563	5.3
84.08136	24.6
85.02905	2.3
85.07646	0.9
87.07952	0.8
88.07610	0.7
91.05450	1.5
93.07040	1.4
95.06059	0.6
97.02876	1.0
97.06522	0.7
97.07647	4.7
98.06046	1.4
99.04424	0.8
99.09206	1.6
100.07609	32.7
105.07020	2.7
107.08591	0.7
112.08733	4.6
113.07110	1.2
114.10284	9.3
115.03965	1.0
116.07077	5.0
117.07006	1.6
119.08578	2.0
122.78618	0.5
125.07134	0.8
127.03878	0.5
127.08672	3.1
128.07068	46.8
130.09753	12.1
131.08554	1.8
132.85338	0.5
133.10155	0.9
137.05977	1.6
141.06656	0.5
142.07774	1.3
143.08521	3.3
143.12927	0.8
145.10107	4.9
147.11757	0.5
155.08473	0.5
157.10085	2.5
158.09238	11.2
159.07950	0.7
159.11674	1.3
170.09288	1.3
171.11630	1.1
171.13808	0.7
175.12012	3.5
183.11719	1.0
185.13245	3.3
199.11221	0.6
200.14534	0.6
201.09023	0.5
201.12738	0.9
203.14241	0.6
217.12144	1.3
243.11258	1.2
264.13019	0.5
271.10922	0.8
273.03995	0.8
278.20013	0.5
293.58936	0.6
313.11719	1.3
315.69232	0.5
316.18988	0.9
319.04477	6.7
362.19812	0.8
376.21164	5.4
392.06149	0.6
404.21823	0.8
421.24380	2.5
422.21677	6.5
424.42181	0.6
442.39215	0.6
446.22531	0.7
463.10620	0.7
463.25479	2.1
464.23920	4.0
481.26575	100.0
482.26642	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	33.7
57.07069	28.7
63.59033	27.1
67.05496	75.8
69.07069	33.0
71.63313	49.5
79.05497	37.9
81.07072	86.1
91.05481	31.8
91.74963	26.4
93.07033	45.8
95.04953	31.3
95.08628	30.6
97.06557	53.0
105.07027	52.7
107.08591	45.4
109.10172	39.2
112.53636	23.9
114.94942	25.1
124.68410	25.8
170.40154	23.7
201.08905	24.7
213.09242	27.3
213.97778	26.1
216.73404	24.6
223.11064	39.3
238.49449	25.2
253.12219	54.8
273.81012	27.5
312.64117	23.3
389.21362	33.8
481.24356	100.0
481.39127	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29973	0.8
67.05492	1.3
69.07057	0.9
69.45619	7.3
79.71782	0.7
81.07030	1.5
91.05466	1.5
93.07026	1.3
95.08601	0.9
97.06519	1.0
105.07023	1.4
107.08582	1.4
119.08529	1.2
130.99277	0.8
131.08493	1.2
133.10071	0.9
159.11745	0.8
225.12527	1.4
269.11496	25.6
329.13583	54.3
330.13855	1.0
347.14859	1.3
373.78122	1.0
377.24591	6.8
403.22647	1.8
421.23441	10.8
422.23599	1.0
429.23175	0.8
481.25607	100.0
482.26086	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	481.2561
Annotation	CHEBI:67701
Peak:m/z	Relative Intensity
55.05503	2.4
67.05491	7.9
69.07061	3.2
70.06555	2.2
71.62768	3.4
79.05479	5.5
79.21955	1.6
81.03416	2.9
81.07040	6.9
85.06558	1.8
91.03979	1.7
91.05472	5.5
93.07044	4.9
95.04967	3.5
95.08603	4.2
97.06518	6.1
103.05500	1.9
105.07043	5.9
107.04969	2.3
107.08582	3.2
108.83456	1.6
109.10154	3.8
119.08581	3.6
121.10155	2.3
131.08528	3.5
133.10078	2.5
135.11719	2.3
137.09613	1.9
139.03833	3.0
143.08575	3.1
145.10144	3.0
147.11601	2.1
153.01884	10.1
153.74184	1.7
157.10194	3.7
159.11682	4.8
167.08531	1.8
173.57430	1.7
183.11671	1.7
184.05232	1.6
191.06880	1.5
199.11240	2.2
225.12527	1.7
227.10667	3.3
242.61559	1.9
269.11475	14.1
309.24139	2.2
313.47879	2.0
318.45587	1.8
329.13589	11.0
355.15225	2.4
377.24435	4.2
383.24258	2.8
403.22516	12.7
421.23361	7.1
463.24222	3.3
481.25552	100.0
482.26105	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40440	3.0
53.03946	4.4
55.01889	3.2
55.05512	16.5
57.03428	6.7
57.07073	8.6
61.02924	5.9
67.05497	23.3
69.03427	27.5
69.07052	11.3
70.07088	15.9
71.05019	4.3
79.05479	6.0
81.03413	12.6
81.07056	57.2
83.08619	17.7
85.02903	96.2
86.03243	5.2
86.05556	4.3
87.00832	44.4
95.08604	60.0
97.02887	21.5
97.10157	18.1
99.04449	10.9
105.01858	74.9
109.02892	19.9
109.03563	3.9
109.09458	6.9
109.10154	84.9
109.25252	3.6
115.11189	5.3
123.04430	4.3
123.11704	100.0
127.03912	52.8
131.16956	3.4
137.02370	3.8
137.13245	36.6
145.04951	26.4
159.02844	7.4
167.03383	4.9
179.17949	82.9
184.63702	4.3
191.03394	6.8
197.18991	69.2
231.04985	21.7
249.06056	13.3
273.03958	5.1
302.04172	4.2
317.06534	38.9
318.06882	85.7
319.07104	4.7
440.68164	4.0
462.35364	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	480.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04963	1.8
53.03939	3.8
55.01861	5.5
55.05508	14.3
57.03434	6.1
57.07060	6.0
58.06585	2.0
61.02915	5.5
61.74339	1.9
67.05504	24.3
68.99770	2.6
69.03429	36.9
69.07066	10.4
69.84005	11.8
70.06588	5.2
71.05000	4.0
71.08612	1.9
73.02912	4.1
79.05474	2.9
81.03424	19.7
81.07053	60.6
83.08607	17.0
84.08131	4.7
84.39144	2.1
85.02902	77.7
87.00832	40.9
91.05459	3.0
93.07041	5.9
95.08604	65.1
97.02885	23.5
97.06525	6.7
97.10166	22.0
98.20712	2.3
99.04454	8.7
105.01859	76.0
105.07030	4.0
106.90745	2.1
107.04992	2.7
107.08604	2.8
109.02885	20.1
109.10158	82.0
115.11215	2.5
119.04861	2.2
123.04423	2.8
123.11697	100.0
127.03921	58.1
129.01865	2.7
133.10118	2.5
137.05917	4.9
137.13261	32.0
137.95134	2.2
139.14787	3.3
143.94838	1.9
145.04950	21.6
147.02902	2.3
147.04434	4.2
157.10054	1.9
159.02881	7.3
161.09554	2.3
163.03900	1.9
177.16399	2.4
179.17953	72.3
189.03938	2.7
191.03395	5.1
197.15300	2.4
197.18990	65.6
204.31201	2.1
214.88188	2.2
215.10654	2.1
231.04990	23.9
249.06062	20.1
273.04053	4.3
317.06635	2.9
318.06796	8.3
480.20703	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	480.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74644	1.7
52.88151	2.1
53.03936	5.2
55.01851	6.7
55.05505	16.4
56.51986	1.8
57.03420	5.8
57.07050	6.3
61.02921	3.6
67.05170	2.0
67.05500	20.2
69.03420	25.2
69.07056	13.0
70.71576	1.7
71.04993	2.2
71.08616	3.1
73.02916	3.5
79.05479	5.6
81.03419	14.8
81.07048	54.7
83.08615	15.9
85.02901	76.8
85.06070	2.0
87.00825	35.1
91.05468	5.2
93.07038	5.5
95.04965	2.2
95.08601	62.2
97.02890	25.8
97.06509	7.7
97.10160	25.3
99.04438	8.0
99.08086	2.5
105.01861	81.4
105.07030	3.4
107.08588	2.7
109.02193	2.9
109.02881	24.2
109.10148	87.5
114.04445	1.8
115.11173	6.6
117.01760	1.7
117.07088	2.6
121.10004	2.4
123.11701	100.0
124.12034	3.9
127.03912	62.6
128.04210	2.2
129.01785	2.9
137.05980	8.0
137.13235	35.8
145.04962	27.4
147.04393	3.4
150.49585	1.9
159.02940	4.4
161.13284	1.9
179.16364	4.7
179.17934	84.5
191.03438	3.6
197.15292	2.4
197.19005	70.8
209.00232	2.0
213.03868	3.5
231.04965	25.9
233.11678	2.8
249.06033	22.0
273.03915	2.6
287.77914	2.2
317.06299	3.9
318.06946	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	480.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27293	1.8
55.01852	3.4
57.03427	15.8
58.90916	2.5
61.02941	2.5
68.83296	2.2
69.03079	3.8
69.03431	59.8
70.03020	8.1
70.03452	6.1
70.06588	35.7
71.04984	26.0
73.02914	2.8
75.04456	4.5
81.03400	3.3
83.04977	6.8
84.08144	2.4
85.02905	100.0
86.09714	2.4
87.04469	31.2
89.68922	1.7
91.05487	4.8
97.02898	39.7
98.06045	17.0
98.20733	2.4
99.04457	4.3
101.02374	2.6
111.04433	4.9
114.00737	2.4
115.03930	46.1
115.04728	2.2
119.04969	2.3
120.08080	2.3
123.04433	29.4
123.44551	2.1
127.03933	11.0
129.05502	17.0
133.04971	48.6
135.04478	2.8
137.05995	23.1
145.04958	14.4
145.06500	2.2
147.04414	5.5
147.06516	9.7
150.07635	5.4
151.07562	3.7
157.10146	4.4
159.04149	2.1
161.05981	5.1
163.03931	4.3
163.05968	3.9
163.07431	2.3
165.05547	11.7
167.07016	2.6
169.04942	17.9
173.05914	3.1
175.07567	7.9
179.07051	4.5
185.09657	5.2
193.05026	3.8
195.07899	3.8
203.10707	11.1
211.06065	9.2
213.09106	3.9
219.06567	2.8
221.07982	3.6
221.11766	2.9
231.10168	21.4
235.06036	5.2
247.09727	6.7
249.11259	15.8
265.07208	3.1
300.15869	6.6
328.31461	2.2
480.22433	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01876	6.6
55.05506	11.8
57.03423	4.7
57.07063	5.0
57.98528	1.2
61.02916	5.5
61.74318	1.2
67.05505	20.5
68.99786	1.7
69.03069	2.5
69.03429	34.3
69.07066	9.4
69.29331	1.4
70.06567	4.2
71.04979	5.2
71.08622	1.6
71.37724	2.4
71.38087	2.0
72.01228	1.2
73.02905	4.4
74.56470	1.2
74.95347	1.2
79.05502	4.0
81.03422	16.4
81.06575	2.4
81.07057	49.4
83.08611	13.5
85.02904	100.0
85.10178	1.4
86.09734	1.6
86.13812	1.4
87.00831	40.0
91.03967	2.1
93.07031	2.2
95.08604	60.4
97.02893	25.6
97.06504	1.9
97.10179	13.9
98.06035	3.4
99.04450	11.9
99.08076	2.0
101.02316	1.3
105.01865	90.7
105.07037	1.8
107.08616	2.1
109.02884	27.4
109.10155	74.0
109.89310	1.5
115.11176	3.8
117.01881	1.5
121.10168	1.4
123.11705	82.7
127.03915	70.6
129.01845	4.5
135.11678	2.1
137.05934	2.0
137.13248	28.5
139.14824	1.9
139.80949	1.3
145.04965	33.7
159.02878	10.1
163.11125	1.5
179.17947	65.1
184.07365	2.4
189.03957	3.0
191.03398	2.8
195.11688	1.5
197.19012	50.4
213.03917	4.3
227.12762	4.8
231.04994	28.8
233.36086	1.1
249.06062	19.5
273.03940	3.0
283.15384	5.6
317.06519	11.1
318.06921	28.0
319.06927	2.5
340.44119	1.2
345.72379	1.5
440.66946	1.3
480.12646	1.7
481.26672	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37674	0.9
53.03925	2.0
55.05509	15.8
57.07067	3.2
63.68836	1.0
65.03925	1.1
67.05502	26.8
69.03419	1.3
69.07069	13.6
69.07482	1.5
69.41434	4.8
69.41863	6.1
79.05486	17.0
81.03386	1.2
81.07049	39.8
83.04994	1.5
83.08607	5.5
89.40389	1.0
91.05470	17.3
93.07034	26.3
93.41288	1.1
95.04957	2.1
95.08596	35.5
95.33117	1.1
97.10168	4.3
99.08071	1.2
103.05447	1.0
105.07023	25.1
107.08588	29.8
109.06511	1.4
109.10147	20.9
111.08048	1.2
111.11685	1.8
115.05455	1.6
117.07006	8.0
119.08574	26.3
121.10131	18.4
123.11696	9.8
128.06236	2.4
129.06998	6.2
131.08560	20.3
133.10121	20.7
135.11678	12.6
137.13235	3.3
141.06984	3.8
142.07773	3.0
143.08560	14.8
144.09279	1.4
145.10121	23.1
147.10594	2.2
147.11659	17.2
149.09584	1.2
149.13248	7.4
155.08536	5.7
156.09354	2.1
157.10110	15.6
158.10835	1.7
159.11681	18.6
161.13252	10.1
163.14796	4.2
168.09375	1.7
169.10103	11.6
171.11693	10.5
172.12463	1.2
173.13229	11.4
175.14793	6.2
177.16426	1.6
181.10141	2.3
183.11671	12.3
184.12500	2.3
185.13255	11.3
187.14807	10.2
189.16368	4.0
195.11752	3.2
197.13255	8.8
199.14789	10.8
201.16394	9.0
203.17987	3.3
209.13289	2.9
211.14842	8.4
213.16367	8.2
215.17984	3.7
217.19545	1.1
223.14766	2.5
223.16908	1.7
225.16350	7.9
227.17911	7.9
229.19478	3.1
237.16505	1.6
237.18599	1.4
239.17947	7.0
241.19516	5.6
251.20123	1.8
253.19530	5.7
255.21054	3.5
263.20047	1.5
267.21106	4.7
267.89706	1.2
269.22623	1.7
275.20172	1.0
277.21637	3.2
281.22702	4.2
289.21606	1.2
291.23111	1.4
295.24124	4.2
301.21457	1.3
303.23239	2.3
309.25885	2.1
313.21857	1.3
315.23160	2.3
317.24802	1.8
321.25803	1.2
323.27240	1.2
329.24710	2.6
335.57681	1.3
337.28778	1.1
339.23291	2.4
341.24600	2.2
343.26163	2.4
355.26096	3.3
357.27951	2.3
369.27905	4.8
371.29425	3.1
381.27802	2.2
383.29431	3.0
395.29449	4.0
397.31055	2.8
409.31064	6.4
410.31781	3.1
423.32471	2.6
437.33881	2.7
451.35956	1.3
461.37720	1.7
479.38818	100.0
480.39124	3.9
499.24899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	1.5
55.05511	13.1
56.40139	1.0
57.07066	2.1
65.03916	1.5
67.05504	23.3
69.06741	1.0
69.07074	14.6
70.94106	2.7
71.04971	2.0
79.05497	17.2
81.03407	2.8
81.07057	40.5
83.08630	8.1
85.02901	1.5
85.06541	1.3
91.05476	16.7
93.06455	0.7
93.07040	25.6
95.04969	4.5
95.08609	30.6
96.18903	1.0
97.10162	5.0
105.07033	24.4
107.08591	24.9
109.06501	2.1
109.10155	20.0
111.11646	1.2
117.07024	5.8
119.08584	23.8
121.10149	17.0
123.08136	1.1
123.11707	5.9
128.06255	1.7
129.07004	7.2
131.08566	16.8
133.10135	16.9
135.11685	11.5
137.13261	2.4
139.11131	1.0
141.06960	2.9
142.07811	2.4
143.08557	11.9
144.09344	2.2
145.10120	23.0
147.11681	14.8
149.09648	1.2
149.13254	9.0
155.08559	7.3
156.09358	3.0
157.10127	16.1
159.11694	18.3
161.13222	7.4
163.14827	4.0
169.10135	9.0
170.10875	1.1
171.11684	12.2
173.13281	11.3
175.14816	4.8
181.10165	1.9
182.10873	1.7
183.11717	10.4
184.12260	1.3
185.13268	12.0
187.14830	8.1
189.16405	4.1
193.12334	1.8
195.11687	3.4
197.13274	9.2
198.14034	1.5
199.14832	11.5
201.16374	11.4
203.17953	3.5
209.13235	3.1
211.14908	6.2
213.16370	7.7
215.17972	3.9
217.19470	1.2
223.14902	2.2
225.16408	7.3
227.17947	9.8
228.18613	1.0
229.19531	3.2
237.16414	2.5
237.18637	1.6
238.17366	1.2
239.17958	6.9
241.19485	5.2
249.18602	1.3
251.17825	1.6
253.19557	4.6
255.21118	1.8
263.20340	1.3
267.21051	5.5
275.20096	1.2
277.21619	3.2
281.22632	4.5
283.20483	1.1
289.21521	1.7
291.23273	1.4
295.24127	4.2
301.21478	1.5
307.28287	2.3
309.25885	1.6
315.23297	1.4
317.24649	2.5
323.27417	1.9
329.25015	1.6
331.26266	2.2
345.27728	1.3
353.24631	1.4
355.26178	1.8
357.27765	1.8
369.28030	3.1
371.29468	1.7
381.27969	1.2
383.29483	3.1
391.30020	1.6
395.29340	3.5
397.30847	2.2
405.31580	1.1
409.31003	8.0
410.31827	2.1
414.54837	1.1
423.32819	2.1
437.34070	1.8
461.28821	1.3
461.38150	1.2
470.32193	1.2
479.30585	3.3
479.38837	100.0
480.39142	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.05509	22.4
55.90242	2.9
57.03434	5.8
57.07063	2.8
58.05013	2.9
65.03944	6.2
67.05507	44.7
69.03419	6.3
69.07066	20.3
69.36348	8.7
69.36765	25.4
71.05029	3.2
75.04466	13.3
79.05501	47.2
81.03407	7.5
81.07059	75.9
83.08609	15.3
85.02891	5.9
91.05471	44.0
93.06480	5.3
93.07043	72.6
95.04955	11.9
95.08606	67.2
97.06524	11.0
97.10175	5.8
99.08086	4.6
105.06298	5.2
105.07026	100.0
107.04952	6.2
107.08595	88.0
109.06517	11.7
109.10157	42.7
111.08067	4.4
115.05464	4.6
115.39865	3.0
117.05502	18.8
117.07007	21.2
119.08581	78.2
121.06500	3.3
121.10141	55.3
123.08054	7.8
123.11707	11.2
125.09615	5.5
128.06230	6.3
128.71039	2.7
129.06995	13.7
130.07751	4.8
131.08568	50.1
133.06505	4.9
133.10133	49.7
135.08055	3.9
135.11679	20.3
137.09575	5.5
140.64119	2.9
141.06964	5.1
142.07751	14.1
143.08560	33.1
144.09311	8.1
145.10123	60.7
147.11668	54.9
149.09596	3.5
149.13239	21.7
149.54834	3.5
151.11165	2.8
151.28627	2.9
155.08549	13.3
156.09320	5.9
157.10129	47.1
159.11690	70.8
161.09621	7.1
161.13252	39.4
163.11180	7.3
163.14787	20.2
167.08508	3.5
169.10178	20.9
170.10863	4.6
171.11682	28.5
172.60909	3.3
173.01497	3.6
173.13298	30.0
175.11162	10.5
175.14862	15.4
177.12761	9.2
179.08572	4.1
181.10156	6.2
182.10962	3.3
183.11694	19.9
184.12506	3.9
185.13254	24.2
187.14830	27.8
189.16444	15.7
193.12239	6.6
194.11029	3.3
195.11725	10.4
196.12485	4.9
197.13222	32.3
198.13986	3.8
199.14822	51.0
200.15318	3.1
201.16370	67.7
203.14325	7.6
203.17931	16.8
207.11650	7.0
209.13272	12.9
211.13098	3.8
211.14894	18.4
213.16356	26.9
215.14371	11.6
215.17932	27.2
217.15894	29.3
219.17430	6.7
223.14879	8.2
225.16371	9.7
227.18037	12.9
229.15965	4.5
229.19444	6.0
233.15356	3.9
235.14841	6.2
237.16414	8.1
239.17932	14.6
241.19629	7.1
249.16444	5.9
251.18065	16.1
253.19479	16.7
255.21075	4.4
263.17926	5.2
265.19534	9.3
267.17984	4.0
267.20926	6.1
269.19034	8.5
271.20581	5.9
277.19711	5.3
279.21054	5.8
291.21158	5.7
293.22852	3.8
305.22604	4.1
319.24194	4.4
324.11673	5.9
329.21271	5.6
331.23599	3.8
333.25549	3.6
345.25546	4.2
359.27124	3.8
361.28876	10.8
363.30423	8.4
401.32059	51.5
419.33087	45.7
421.30490	4.0
437.34180	3.5
461.28427	3.9
461.34067	29.3
479.29474	9.7
479.35403	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
55.01862	12.1
55.05507	38.2
57.03436	48.1
57.07069	3.3
61.02909	4.4
65.03926	6.5
65.44418	3.1
67.05502	100.0
69.03429	60.9
69.07063	28.9
69.42641	14.7
69.43073	15.2
71.01347	3.9
71.04983	9.7
73.02911	8.7
74.09692	3.3
79.05489	79.7
81.02967	4.8
81.03416	56.1
81.07054	94.8
83.01368	2.8
83.04989	21.0
83.08629	21.6
85.02901	38.1
85.06565	3.3
87.04433	8.6
91.05474	70.2
93.07037	72.5
95.04961	23.6
95.08604	62.5
97.02909	20.1
97.06554	11.9
97.10173	8.3
99.04448	14.5
101.02391	4.4
103.03950	12.4
105.07024	54.2
107.04948	12.4
107.08588	46.1
109.02873	22.1
109.06516	12.9
109.10152	25.7
111.04430	10.7
111.08112	4.4
114.10268	4.6
115.05456	5.3
117.05489	4.4
117.07012	34.7
119.08572	49.2
121.06499	8.2
121.10145	26.6
123.04401	6.7
123.08056	8.0
123.11725	10.5
125.09628	5.0
127.03902	28.1
128.06190	7.4
129.05458	10.7
129.07004	23.0
131.08545	47.0
133.06490	5.9
133.10120	32.6
135.08008	6.1
135.11679	25.8
137.09616	5.1
137.15442	3.0
141.06993	5.2
142.07764	5.2
143.08525	19.6
145.04953	13.7
145.06462	8.1
145.10114	33.7
147.08051	7.1
147.11671	24.5
149.09615	8.5
149.13234	14.2
154.07817	5.3
155.08580	12.9
157.06516	8.0
157.10074	17.4
159.08047	6.6
159.11694	32.5
161.09665	6.9
161.13264	13.4
163.07614	2.9
163.11154	6.5
169.10109	8.7
171.07986	7.7
171.11702	18.7
173.09558	4.6
173.13208	18.2
175.11229	7.9
175.14818	9.5
177.12752	4.0
181.10152	5.5
183.06499	9.8
183.11682	10.6
185.13261	11.4
187.11235	4.4
187.14792	6.7
189.12697	7.4
191.14406	4.4
193.08601	4.1
193.12256	8.6
195.11681	3.9
195.13774	3.5
197.09584	4.5
197.13184	8.3
199.14841	8.9
201.07590	8.7
201.12703	5.7
201.16473	5.9
207.29436	3.2
209.13271	4.1
211.13139	5.0
213.12756	4.8
213.16296	3.4
215.14345	4.7
217.16014	3.5
230.25507	3.0
239.14247	3.9
243.21091	4.2
257.19000	4.0
259.20532	6.1
261.22141	11.2
273.22040	7.1
277.21552	4.9
279.37778	3.3
285.22153	6.7
289.21310	3.7
309.21899	3.5
313.21573	5.1
315.23358	5.5
327.23264	8.3
335.25726	4.0
341.24854	7.4
345.24301	8.8
351.23199	12.9
369.24191	25.2
387.25421	16.4
405.26111	3.8
419.27435	4.5
425.26593	5.0
431.27780	4.1
443.27753	22.0
450.74149	3.4
461.29019	41.3
479.30011	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.8
55.01868	0.8
55.05504	0.5
57.03438	1.0
61.02914	1.6
67.05488	0.5
69.03432	4.0
69.07082	0.5
70.06588	0.4
71.04985	1.0
71.62595	0.9
73.02925	0.6
75.37569	0.4
75.87677	0.4
79.05487	0.5
81.03416	1.5
81.07047	0.4
83.04990	0.6
85.02381	0.4
85.02905	9.3
86.09702	1.0
87.04461	0.6
91.03960	0.8
92.02612	0.9
93.03416	0.8
93.07057	0.6
95.04966	0.4
97.02887	4.3
99.04451	0.6
105.07019	0.6
107.08578	0.5
109.02877	1.6
111.04453	0.5
112.31457	0.4
113.20060	0.3
113.37436	0.4
121.02898	0.8
121.10076	0.4
127.03893	2.1
137.02333	1.0
137.05974	0.9
139.03894	0.8
145.04976	1.8
151.03972	0.7
151.07558	0.5
153.01849	6.1
163.03883	0.6
166.64734	0.4
167.03412	0.8
201.05475	0.7
203.03372	0.7
217.04984	0.9
228.04248	1.2
229.04939	3.0
235.43182	0.4
243.06544	0.9
245.04443	1.5
246.05370	1.2
257.04532	1.8
273.04041	1.4
274.04758	3.7
285.03891	3.8
302.04224	10.3
317.06564	100.0
318.06921	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
53.29889	0.2
55.01858	0.6
57.03427	0.7
61.02918	1.3
69.03429	2.7
70.05592	0.8
70.06002	0.5
71.04978	0.2
73.02915	0.5
81.03421	1.5
85.02415	0.5
85.02899	7.1
87.04470	0.3
91.03962	0.4
93.03419	0.3
95.04977	0.5
97.02898	2.6
99.04440	0.4
103.99825	0.2
105.34266	0.2
109.02871	0.8
121.02875	0.9
123.04414	1.4
125.02390	0.5
127.03902	1.1
137.02345	2.6
141.05455	0.6
145.04951	0.8
149.02292	0.3
151.03894	1.0
155.04967	0.3
163.03923	0.4
167.03398	3.7
179.03383	1.8
180.04115	0.3
187.07477	0.4
197.04431	0.7
199.12648	0.2
200.04654	0.5
215.07042	1.7
219.02780	0.3
228.04152	0.8
233.08110	0.4
242.05508	0.3
243.06512	4.1
248.67636	0.3
256.03873	0.2
257.04352	0.4
261.07599	0.7
271.06027	2.3
271.67184	0.3
274.01877	0.2
274.04730	3.9
288.06335	0.5
299.05493	0.9
302.04221	2.6
317.06546	100.0
318.06909	2.6
378.66544	0.3
434.92651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.4
55.01856	0.6
57.03436	0.9
58.13188	0.1
61.02929	1.3
65.03925	0.3
67.01878	0.2
67.05479	0.2
69.03082	0.2
69.03429	3.2
71.04987	0.4
73.02911	0.4
78.82643	0.1
81.02982	0.2
81.03424	1.7
85.02908	8.8
87.04456	0.4
91.03944	0.5
93.03406	0.3
95.04964	0.7
97.02903	3.0
99.04479	0.6
109.02876	1.2
111.04441	0.2
121.02863	1.0
123.04430	1.7
124.01577	0.6
125.02373	0.5
127.03923	1.6
134.03638	0.1
135.11745	0.1
137.02348	2.9
137.03387	0.2
139.03899	0.2
141.05534	0.2
144.05727	0.2
144.31367	0.2
145.02859	0.1
145.04967	1.0
145.06506	0.2
149.02338	0.5
150.03171	0.2
151.03908	1.1
163.03856	0.6
167.03413	4.4
173.06000	0.2
179.03413	1.8
180.04163	0.3
183.04514	0.2
184.05215	0.2
187.03925	0.1
187.07552	0.5
191.03395	0.1
191.07138	0.1
193.04944	0.2
197.04446	0.8
200.04651	0.6
205.08701	0.2
209.04459	0.3
213.05339	0.1
215.07011	1.7
219.02946	0.2
228.04196	0.5
233.08121	0.4
243.06546	3.9
247.74181	0.1
253.05026	0.1
256.03741	0.3
257.04456	0.3
261.07568	0.6
271.06027	2.4
273.03967	0.4
274.04742	4.0
288.06235	0.8
299.05533	1.0
302.04248	2.4
303.04834	0.1
306.96722	0.1
317.06570	100.0
318.06894	2.2
329.06512	0.3
356.83157	0.1
359.07684	0.5
383.99756	0.2
479.12100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	6-Methoxykaempferol 3-galactoside
Peak:m/z	Relative Intensity
53.03934	0.4
55.01852	0.3
57.03426	1.2
61.02645	0.2
61.02923	2.2
65.03931	0.3
67.01836	0.2
69.03070	0.3
69.03422	2.9
69.41987	0.6
69.42418	0.8
71.04970	0.2
73.02896	0.6
81.03416	1.5
85.02897	8.2
87.04438	0.3
91.03947	0.8
93.03387	0.3
95.04947	0.6
97.02272	0.2
97.02883	2.9
99.04445	0.5
109.02867	0.9
111.04453	0.2
115.03888	0.2
118.90240	0.1
121.02853	1.2
123.04426	1.9
124.01540	0.6
125.02337	0.6
127.03909	1.5
128.06149	0.2
134.03618	0.2
135.04373	0.2
137.02325	3.2
139.03908	0.2
141.05431	0.3
145.02844	0.3
145.04942	1.1
149.02357	0.4
150.03111	0.2
151.03896	1.0
155.04901	0.4
163.03844	0.7
167.03384	4.5
173.05798	0.2
179.03400	2.0
180.04179	0.5
183.04411	0.4
184.05127	0.2
187.07533	0.4
193.05093	0.2
197.04402	0.9
197.06061	0.2
200.04657	0.5
201.05461	0.2
209.04404	0.2
211.03976	0.2
215.06996	1.7
219.02916	0.2
225.29102	0.1
228.04132	0.6
233.08098	0.4
243.06506	4.2
256.03647	0.4
257.04541	0.3
261.07565	0.8
271.05978	2.4
273.03763	0.3
274.04715	4.1
288.06219	1.0
289.06876	0.2
299.05518	1.1
302.04175	2.8
304.71078	0.1
317.06525	100.0
318.06885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05515	15.4
57.03431	4.5
57.07059	2.7
59.06153	2.1
60.97952	2.3
62.06089	38.1
67.05502	33.6
69.07069	16.9
71.18322	4.0
71.18680	2.2
78.92860	1.9
79.05473	11.5
81.07056	37.9
83.08607	7.4
91.05486	6.0
93.07047	9.7
95.08601	26.5
97.10173	3.3
98.06050	7.2
98.98484	10.8
100.75666	1.9
105.07016	3.4
107.08563	4.9
109.10174	7.9
119.08571	3.2
120.77107	2.2
121.10173	5.4
123.11670	4.3
133.10062	3.8
139.95383	2.1
155.01047	8.3
161.13254	2.7
173.02147	2.4
216.06287	3.6
244.60609	2.1
245.22736	3.8
263.23804	7.2
306.27899	62.1
307.28122	2.6
337.27377	100.0
338.27859	4.4
396.20596	2.2
460.28137	2.8
469.53500	2.0
478.29349	3.1
503.44943	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03924	0.7
55.05260	0.7
55.05506	11.8
57.03434	7.4
57.07069	1.8
62.06064	0.7
65.03922	0.6
65.18590	0.5
67.05501	23.5
67.20650	0.5
69.07063	14.9
70.34546	0.7
70.34946	1.5
71.08620	0.7
71.24151	0.4
79.05494	7.5
81.07051	27.3
82.90238	0.5
83.04966	0.6
83.08613	7.0
85.10170	0.6
91.05466	4.6
93.07050	7.1
95.04975	0.8
95.08601	19.0
97.06506	1.1
97.10158	2.9
98.06062	0.7
105.07034	2.7
107.08585	3.6
109.10148	6.7
111.08056	0.9
111.11684	0.7
112.93583	0.4
119.08567	2.9
121.10150	2.7
123.11700	2.7
125.09625	0.6
133.10161	2.5
135.11655	1.4
137.13248	1.1
147.11676	1.5
149.13297	0.9
151.11115	0.6
151.14752	0.6
161.13261	0.7
163.14828	0.8
175.14844	1.1
176.08263	0.5
207.10165	1.6
263.23730	1.3
268.18414	0.5
306.27930	8.9
337.27350	100.0
338.27625	3.0
439.21628	0.5
478.29141	0.6
504.21124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
59.04975	0.8
60.21713	0.7
67.05496	3.5
70.41389	1.8
70.41804	2.5
79.05492	6.5
81.07043	4.3
83.04967	0.8
83.50027	0.9
91.05463	3.6
92.06351	0.9
93.07051	2.1
94.07339	1.2
95.04956	2.4
95.08595	1.2
103.05463	3.7
105.07027	20.4
105.07741	1.2
107.04947	2.9
107.08587	2.6
109.06489	1.1
110.10490	0.8
110.37642	0.8
115.05487	1.2
115.71516	0.7
117.06987	0.9
118.04144	2.9
119.81550	0.7
120.05725	1.0
121.06540	1.3
121.10148	1.2
131.04919	1.1
132.10593	0.7
133.06479	16.2
135.04405	1.3
135.08046	2.5
137.05977	7.3
148.05162	1.3
149.13206	1.2
150.06801	6.5
150.82634	0.8
165.09097	14.7
193.08598	100.0
194.09070	2.1
224.19466	0.8
231.34138	0.8
276.87692	0.9
306.26749	1.0
336.26053	1.1
337.26422	2.5
363.46002	0.8
434.12054	0.8
478.28632	2.2
478.34979	0.9
499.48080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35823	1.8
53.03935	10.7
55.01871	24.4
55.05508	81.6
57.03435	16.1
57.07045	2.2
59.04998	2.0
60.44370	1.7
65.03931	6.8
65.25517	2.1
67.05502	91.3
69.03422	10.0
69.07063	26.3
71.04993	10.4
71.05322	1.7
77.03909	1.9
79.05490	100.0
81.03412	86.3
81.07056	78.2
83.04968	19.9
83.08614	53.8
85.02907	14.9
85.06547	6.6
91.05478	84.7
91.05915	2.0
93.07035	55.4
95.04961	49.7
95.08596	35.7
97.06519	11.1
97.10168	58.7
99.08087	3.6
103.05454	4.7
105.03385	2.8
105.04485	2.5
105.07025	58.1
106.07372	2.0
107.04946	48.0
107.08588	44.8
109.02779	2.0
109.06499	18.9
109.10147	20.3
111.04442	5.0
111.08076	14.8
113.06051	3.2
115.05470	7.6
117.06229	2.6
117.07019	28.4
119.04967	3.3
119.08572	39.8
121.06499	38.0
121.07365	2.5
121.10132	18.3
123.04446	5.2
123.08080	11.8
123.11707	6.9
125.09618	44.5
128.06189	4.3
129.07016	31.2
131.04941	8.6
131.08569	33.1
133.06487	22.7
133.10133	21.6
135.04391	2.5
135.08070	14.9
135.11696	6.4
137.05978	3.2
137.09608	7.5
139.07561	3.7
141.06993	6.0
142.07788	7.0
143.08566	12.8
145.06468	29.0
145.10118	13.8
147.04437	3.9
147.08029	13.8
147.11699	22.7
149.05968	3.8
149.09604	13.7
149.13228	2.6
151.07552	3.5
151.11247	2.8
153.07036	3.4
153.09109	12.8
153.12770	5.0
154.07748	2.4
155.08534	9.4
157.06520	8.9
157.10103	19.6
159.08043	9.1
159.11671	6.3
161.05951	4.6
161.09604	9.5
163.11185	11.1
165.06999	2.5
165.09113	25.2
165.12733	3.7
167.08521	3.1
168.09341	2.7
169.10095	7.4
171.08043	8.1
171.10333	3.1
171.11647	9.4
173.09634	4.9
173.13318	2.7
175.07565	2.1
175.11162	20.7
177.12737	4.1
179.10657	2.4
181.10146	5.2
183.08022	3.4
183.11650	4.5
185.09621	2.8
185.13295	4.0
187.11130	4.8
187.14850	4.9
189.09341	3.6
189.11224	31.6
189.12794	7.1
193.12239	56.6
194.12505	4.0
195.08185	2.4
195.11813	3.0
197.09671	3.6
197.13321	6.2
199.11230	7.6
205.12248	5.2
205.15860	2.4
209.13264	3.0
211.11270	3.9
211.13208	27.7
213.12779	5.8
215.14392	11.0
217.12256	6.2
223.11221	4.5
223.13179	3.7
225.12721	3.7
227.12627	18.3
227.14334	2.7
229.73093	2.5
231.13821	4.8
233.15335	16.1
235.13292	6.5
237.12802	4.4
239.14362	2.4
241.14433	5.4
245.15460	4.5
249.14923	5.6
255.13835	8.8
257.15262	2.5
259.13193	3.6
261.14862	3.2
263.16620	2.3
267.15930	19.6
269.15317	2.2
271.17001	4.0
273.14792	21.6
275.16602	3.7
283.16962	3.1
287.16409	4.8
289.18240	2.3
291.16068	4.3
299.16357	2.4
321.21994	3.0
321.65479	2.0
339.23111	9.6
341.21005	3.0
349.21570	23.5
357.24170	16.6
367.22665	62.2
367.27264	3.0
368.23157	3.3
385.23730	99.4
386.24286	3.7
403.24841	33.9
404.25156	2.9
423.24933	3.4
433.26004	6.3
441.26215	10.0
459.27393	81.0
460.27893	4.4
477.28479	77.1
478.28693	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19386	2.8
53.03945	5.5
55.01881	7.4
55.05517	21.1
55.49319	3.4
57.03427	4.0
57.07072	7.0
58.06595	3.3
65.03943	5.6
67.05502	38.5
69.03452	5.3
69.07059	14.1
69.97433	19.3
71.05002	5.8
74.09709	5.9
76.46062	3.2
79.05494	43.4
81.03415	7.7
81.07059	87.3
83.01329	3.2
83.04977	17.9
83.08623	14.8
85.06541	6.8
91.05466	43.1
93.07043	81.6
93.31773	3.2
95.04949	16.6
95.08607	36.6
97.06538	12.4
97.10176	4.1
99.08121	2.9
105.07036	51.1
107.04967	10.0
107.08592	86.2
107.09291	4.2
109.06537	16.0
109.10175	26.6
111.08074	7.9
113.06026	4.2
117.07027	18.1
119.08575	34.9
121.06496	8.1
121.10128	21.3
123.08044	6.8
125.09602	4.5
128.06200	4.2
129.07005	13.5
131.08557	30.8
133.06496	8.0
133.10136	29.5
135.08070	6.5
135.11682	100.0
137.09599	5.6
139.07524	3.2
141.06992	5.9
142.07788	8.5
143.08557	11.3
144.09323	6.2
145.06483	5.6
145.10126	20.1
147.08029	5.2
147.11676	14.4
149.13261	14.7
151.07564	4.8
151.11154	4.7
153.05420	3.3
153.12740	9.3
156.09486	3.7
157.10136	18.7
159.08060	6.7
159.11687	45.7
161.09625	13.2
161.13283	8.6
163.07553	4.2
163.11188	8.9
168.09291	4.6
169.10115	6.7
171.11707	10.1
173.09654	4.6
173.13219	10.7
175.07567	4.7
175.11188	14.8
177.12752	22.1
181.10139	6.5
181.12288	3.2
182.10927	4.6
183.11696	10.2
185.09653	6.3
185.13286	5.5
187.11121	4.1
187.14827	4.3
193.10226	3.9
195.11693	6.2
195.13828	6.5
197.13341	4.7
199.11172	5.9
199.14790	4.3
201.12741	13.9
203.10657	17.5
205.12299	5.5
209.13312	5.6
215.42183	3.2
227.10698	5.5
229.12370	6.1
237.16418	4.5
245.15451	5.5
271.16779	5.5
299.16354	3.7
330.21423	3.5
335.23602	4.9
353.24753	12.8
363.23206	3.7
371.25729	12.3
389.27054	4.6
459.27106	9.6
477.28391	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	16.4
55.05251	4.5
55.05506	65.1
57.03432	13.2
59.05016	3.6
65.03938	4.3
67.05500	58.0
69.03426	7.7
69.07079	14.7
71.04987	4.4
71.39514	6.2
76.84064	3.0
79.05483	53.6
81.03405	41.7
81.07053	45.3
83.04971	12.3
83.08611	37.2
85.02923	3.4
91.05473	42.5
93.07042	37.1
95.04958	34.8
95.08610	26.0
97.06526	8.4
97.07254	2.4
97.10159	52.8
105.04483	3.6
105.07024	28.6
107.04958	37.0
107.08585	35.3
109.06522	9.1
109.10174	14.8
111.08069	8.5
111.15356	3.1
115.05425	4.2
117.07005	15.8
119.08558	23.0
121.06486	40.2
121.10128	11.1
123.08062	8.0
123.11620	4.3
125.09620	39.3
129.06975	24.9
130.40730	3.1
131.04936	5.1
131.08545	20.9
133.06468	11.2
133.10109	8.7
135.08052	17.6
141.06956	7.8
143.08554	8.1
145.06516	18.6
145.10121	15.6
147.04428	5.6
147.08029	15.8
147.11714	10.4
149.09584	6.7
153.09059	8.4
155.08569	8.6
157.06461	7.3
157.10153	10.8
159.08055	6.1
159.11681	6.7
160.12947	2.9
161.05988	3.8
161.09656	4.2
163.11211	5.1
169.06462	3.3
169.10170	6.3
171.08052	7.0
171.11664	5.4
173.09671	4.7
175.11186	8.1
181.09927	4.1
185.09694	4.3
185.13277	4.1
187.11252	5.1
187.14795	3.0
189.11221	31.7
189.12759	4.5
193.12213	27.3
195.11647	5.1
197.13290	5.2
199.11137	4.4
205.12224	5.3
211.13290	5.9
213.12770	4.2
215.14317	6.5
217.12155	4.2
223.13222	5.9
227.12695	27.1
227.14520	3.1
231.13776	5.3
233.15315	25.0
236.73042	2.9
237.12700	5.8
241.14323	4.0
245.15417	3.5
255.13821	4.1
257.15216	5.1
267.15887	28.4
273.14835	13.0
275.16614	4.0
321.22147	5.9
323.19791	3.1
339.23251	11.4
341.21527	5.8
349.21536	20.1
357.24323	18.1
367.22589	46.3
385.23694	86.6
386.24081	4.5
403.24771	27.9
433.25748	10.5
441.26312	11.1
459.27325	100.0
460.27734	5.0
477.28400	56.5
478.28677	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65092	2.1
52.66315	2.0
53.03942	8.1
53.54205	2.3
55.01873	13.2
55.05258	4.5
55.05510	59.3
57.03431	14.0
58.43591	2.7
65.03937	5.8
67.05503	68.4
69.03421	6.0
69.07062	17.8
70.17017	11.0
71.04985	8.4
74.03332	2.4
79.05491	75.2
81.03027	1.7
81.03413	82.4
81.07056	62.6
83.04979	27.2
83.08620	38.6
85.02898	13.3
85.06547	6.1
91.05479	100.0
93.07047	46.6
95.04963	45.8
95.08598	27.8
97.02887	7.0
97.06524	11.3
97.10154	27.6
103.05476	3.8
105.04507	3.3
105.07027	55.9
107.04949	34.3
107.08578	23.0
109.06539	10.1
109.10140	11.0
111.08098	11.1
113.05997	3.5
115.05485	8.2
117.06998	17.9
119.04930	2.8
119.08582	34.4
121.06510	15.4
121.10143	14.6
123.08041	5.8
123.11709	10.3
125.09602	15.0
128.06233	4.8
129.07007	30.3
129.10260	2.6
131.04951	4.6
131.08589	27.8
133.06487	10.8
133.10117	30.0
135.08058	5.8
135.11740	3.1
141.07010	8.6
142.07774	6.1
143.08566	7.3
145.06471	7.9
145.10121	14.9
147.08051	11.0
147.11690	22.9
149.09651	6.6
153.09128	7.3
155.08501	3.0
157.06497	2.6
157.10117	21.8
159.08109	2.6
159.11665	4.0
161.06001	2.5
161.09734	3.2
163.11214	11.1
165.12823	4.6
167.08662	2.7
169.10118	6.5
171.08040	4.6
171.11725	9.2
173.09633	3.2
175.11134	22.9
178.80893	2.1
181.10127	3.1
187.13438	4.7
187.54500	2.2
189.09322	2.5
189.11232	11.8
189.12694	2.8
193.12233	54.7
193.13841	4.2
195.11690	4.9
197.13290	3.1
199.11200	3.2
206.13243	2.2
211.13263	28.3
215.14349	3.4
217.12286	6.6
221.13254	2.4
227.12773	13.4
231.13843	2.8
233.15341	7.4
239.36554	2.6
249.14774	4.0
255.13637	2.5
263.16476	3.0
267.15894	38.4
269.15308	2.6
269.40427	2.8
273.14890	9.8
285.16977	3.1
291.15833	5.2
310.97092	2.6
339.23138	3.7
349.21597	11.4
350.33069	2.5
357.24127	6.0
367.22708	24.4
385.23734	38.5
403.24979	10.3
441.26251	4.0
459.27402	60.0
460.27597	2.7
477.28436	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
53.45771	2.9
55.01871	17.4
55.05259	5.0
55.05506	68.1
57.03433	16.6
65.03923	3.8
66.34202	2.8
67.05167	4.8
67.05500	69.7
69.03416	10.0
69.07060	14.2
70.56503	12.8
71.04976	7.7
79.05059	5.5
79.05490	78.7
81.02974	5.7
81.03412	70.3
81.06578	4.5
81.07052	68.7
81.90692	3.0
83.04967	12.7
83.08619	46.2
91.05472	77.2
93.07037	45.3
95.04959	32.6
95.08613	27.2
97.06521	9.6
97.10152	50.9
98.20927	3.6
105.07022	43.7
107.04952	46.7
107.08595	32.5
109.06490	12.1
109.10141	22.3
111.08067	11.6
115.05450	8.7
117.07046	20.4
119.04905	7.4
119.08579	24.6
121.06487	29.3
121.10123	12.7
123.08040	10.7
123.11712	9.0
125.09610	47.5
128.06198	5.0
129.07002	27.6
131.04884	5.3
131.08578	28.4
133.06502	17.1
133.10150	18.9
135.08047	15.1
135.11670	7.1
140.83229	3.1
141.06981	8.4
142.07762	4.7
143.08546	12.4
145.06473	22.4
145.10101	13.3
146.65134	3.5
147.04343	2.9
147.08012	11.8
147.11681	16.0
149.09558	14.4
153.09068	9.3
155.08604	7.3
157.06526	7.0
157.10104	17.3
157.28487	3.2
159.08022	7.2
159.11665	6.0
161.05975	3.8
161.09590	5.5
163.11159	5.6
167.08513	3.8
169.10162	5.9
171.08032	9.6
171.11679	13.3
173.09605	5.4
173.13245	5.1
175.11163	16.0
177.12700	4.3
181.10118	4.0
185.13297	4.1
187.11282	5.3
187.13226	5.5
187.14845	5.0
189.11234	31.2
189.12762	6.0
193.12236	33.2
195.11658	7.0
197.13235	4.5
199.11189	6.6
211.13231	8.9
215.14328	10.7
223.11182	4.5
223.13156	4.0
227.12636	25.7
227.14627	3.3
231.13831	5.5
233.15361	21.8
237.12683	5.7
238.18454	3.0
241.14349	4.8
245.15656	4.5
249.14833	4.7
255.13608	4.9
257.15228	4.3
267.15887	40.3
273.14761	17.3
289.18271	4.0
291.15848	8.6
292.31183	3.1
299.16443	3.0
339.23203	13.7
349.21484	20.8
357.24176	11.6
367.22589	53.1
385.23727	100.0
396.27155	3.8
403.24606	26.2
433.25735	8.6
441.26083	10.3
459.27426	96.1
460.27640	5.3
477.28482	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.5
55.01868	18.9
55.05505	74.1
55.40705	1.8
57.03435	17.6
57.07074	2.5
65.03911	4.1
67.05499	74.5
67.05863	3.7
69.03425	12.1
69.07059	24.6
71.04977	6.8
79.05486	78.2
79.05951	3.9
81.03410	82.7
81.07048	72.5
83.04976	18.7
83.08130	3.0
83.08610	45.1
85.02891	12.2
85.06519	3.3
91.05475	73.6
93.07035	55.1
95.04963	43.8
95.08593	33.7
96.52236	1.7
97.06499	9.4
97.10161	55.7
99.04482	2.2
102.95314	2.2
103.05486	2.5
105.03400	2.2
105.07024	51.6
107.04945	42.6
107.08588	39.7
109.06532	14.3
109.10145	18.2
111.04442	2.2
111.08059	12.5
113.05965	5.4
115.05421	5.5
117.07007	21.8
119.04955	3.2
119.08570	32.0
121.06497	34.2
121.10113	12.0
123.04432	2.0
123.08048	12.8
123.11710	3.8
125.05993	4.3
125.09619	46.8
129.06999	32.0
131.04916	5.9
131.08562	31.8
133.06474	14.4
133.10124	22.9
134.56854	2.2
135.08090	12.8
135.11649	5.1
137.05975	3.6
137.09616	5.9
141.07011	6.7
142.07787	5.3
143.08539	8.7
144.19234	2.3
145.06494	26.1
145.10103	17.5
147.04395	3.8
147.08018	14.8
147.11650	23.6
149.09619	12.1
151.07588	3.3
153.09111	12.3
155.08502	6.9
157.06461	4.2
157.10121	22.6
159.08037	7.5
159.11684	7.0
161.05957	4.4
161.09598	6.5
163.11192	6.0
165.09081	9.0
165.12732	5.0
167.08565	3.9
169.10143	4.3
171.08015	6.7
171.10300	2.4
171.11678	8.8
173.09662	3.8
173.11729	2.8
173.13194	2.5
175.07442	2.1
175.11130	18.1
177.12814	3.1
179.08711	2.1
181.10162	4.8
183.11816	2.3
184.08818	2.0
185.09579	2.9
185.13248	4.8
187.11189	4.1
187.14824	4.9
189.09509	3.5
189.11200	29.2
189.12759	5.4
193.12218	55.5
195.07983	2.4
195.11719	5.8
197.09505	3.8
197.13245	4.0
199.11162	5.9
199.14856	4.1
201.12827	2.5
203.14330	3.6
205.12212	7.2
209.13268	2.7
211.13268	29.9
213.12669	5.3
215.10739	2.2
215.14354	6.5
217.12224	4.9
223.13268	2.7
225.12747	4.8
227.12627	17.6
227.14673	2.1
231.13843	4.3
233.15350	22.8
235.13350	4.5
237.12675	4.6
241.12175	2.8
241.14345	4.9
245.15477	4.1
249.14851	5.3
255.13742	6.6
259.13351	3.7
267.15900	28.0
271.17093	3.0
273.14771	18.4
275.16415	3.8
287.16602	4.6
289.17856	2.6
291.16000	5.8
321.22104	3.4
339.23196	9.5
341.21259	2.7
349.21591	19.5
357.24139	11.6
367.22617	61.3
368.23102	5.0
385.23688	100.0
386.23969	5.9
403.24744	29.1
404.25128	2.5
433.25897	6.2
441.26395	6.8
453.49457	2.1
459.27365	91.0
460.27774	5.2
477.28442	75.0
478.28510	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29346	3.5
56.53841	3.6
56.96563	27.8
61.02922	3.7
69.03418	9.0
70.06588	5.2
71.04996	4.6
71.61382	3.8
71.61755	5.1
72.82899	3.4
77.00885	4.1
80.22339	4.5
81.84644	3.5
83.04955	3.7
84.08127	7.5
85.02907	21.1
86.09695	6.3
90.10299	3.6
97.02885	13.9
98.97584	51.0
100.68446	3.8
101.00888	17.1
110.49756	3.7
110.97596	8.1
113.00910	5.0
115.02431	5.5
116.98622	40.5
119.01925	48.3
128.98613	10.9
131.01915	32.8
131.05548	10.8
133.03461	12.0
134.99615	17.3
136.06183	7.6
137.02951	9.2
143.01888	67.2
145.01640	4.6
145.03488	14.1
145.04994	4.9
146.99625	14.9
147.05191	4.2
149.01227	5.8
149.02933	5.8
149.06596	29.1
155.01894	36.4
155.05556	4.7
157.03452	4.7
158.99652	16.8
159.05055	11.7
160.76543	3.7
161.01558	6.9
161.02945	100.0
162.03090	3.4
163.03938	15.2
165.05585	3.6
169.07036	4.4
170.99780	4.9
173.02950	57.4
173.06613	51.6
175.04449	3.6
177.00711	31.2
177.06046	9.3
184.04524	7.3
185.01389	4.4
185.03001	6.6
185.06546	50.5
187.08177	11.9
191.07622	16.7
197.06609	5.5
199.04565	7.1
201.00778	6.6
201.04454	4.5
203.04051	11.0
203.07637	37.0
207.05322	4.6
215.07666	20.1
219.01729	13.9
221.05026	39.0
227.07568	7.3
232.96703	4.8
233.03387	8.8
237.02773	35.7
239.07840	4.9
255.03864	5.0
257.08649	10.8
275.09717	65.6
283.06641	8.5
293.10800	99.1
298.11465	5.7
301.07861	3.6
309.08630	12.3
315.09409	4.3
316.12292	9.7
333.68869	3.8
401.12796	12.7
413.07123	4.5
415.09164	8.8
417.09460	7.0
433.15613	61.1
445.11719	9.8
451.69232	4.2
459.13010	13.5
477.14340	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2844
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
55.01862	12.5
55.05261	2.5
55.05506	32.6
57.03440	18.2
57.07055	4.3
59.04976	2.7
62.46961	2.0
65.03917	2.5
67.05497	61.2
69.03418	17.8
69.06776	2.1
69.07073	24.8
71.01327	3.8
71.04975	6.2
71.65154	4.1
73.02910	6.2
79.05055	3.4
79.05490	53.9
81.03416	34.5
81.07052	60.1
83.04975	13.0
83.08606	19.5
85.02895	9.6
85.06540	4.6
85.27044	2.2
91.05470	66.7
93.07040	50.2
94.07402	2.1
94.69368	2.2
95.04972	21.5
95.08595	37.3
97.02879	8.3
97.06539	10.1
97.10159	12.6
99.04467	2.7
99.08060	2.6
103.03931	4.3
103.05475	3.8
105.06363	4.1
105.07024	50.3
107.04943	16.6
107.08588	32.8
109.02821	3.0
109.06516	9.9
109.10152	14.8
111.04440	6.4
111.08083	7.3
113.05977	2.3
114.11138	1.8
115.05467	12.0
117.07015	34.6
119.04933	2.3
119.08566	34.6
121.06512	11.1
121.10134	15.5
123.04409	5.5
123.08041	7.5
123.11693	6.9
125.05982	3.3
125.09606	6.6
128.06203	13.8
129.05486	3.3
129.06989	37.7
130.07762	7.4
131.04895	5.0
131.08553	45.6
133.06482	9.0
133.10115	21.5
135.08061	8.8
135.11665	12.9
137.05971	4.6
141.06972	18.0
142.07782	8.2
143.08548	34.9
145.06467	13.2
145.10110	40.4
147.08034	10.7
147.11649	18.1
149.05930	3.8
149.09622	5.0
149.13235	4.9
153.06993	6.6
153.09164	2.2
154.07758	7.4
155.08533	32.8
156.09363	3.3
157.06482	11.0
157.10123	26.5
158.07346	2.3
159.08018	12.1
159.11679	19.3
161.05981	3.7
161.09628	6.8
161.13255	5.3
163.11209	10.8
164.11563	2.5
165.07033	6.0
165.09087	2.9
165.12741	6.3
166.07767	6.1
167.08578	11.5
168.09343	3.6
169.06422	4.1
169.10146	25.4
171.08064	13.7
171.11658	22.0
173.09589	11.7
173.13275	9.8
175.11186	8.0
177.12718	3.8
179.08583	6.9
181.06538	3.1
181.10132	18.4
182.07228	3.1
182.10872	3.0
182.42062	2.1
183.08040	8.7
183.11659	20.7
184.12331	2.3
185.09581	12.3
185.13290	12.3
187.07561	2.4
187.11169	6.6
187.14818	4.9
189.11215	2.3
189.12769	4.4
191.20299	2.3
193.10167	5.2
193.12251	8.0
195.08032	7.0
195.09987	3.3
195.11624	15.2
197.09598	7.9
197.13223	13.4
199.11153	8.4
199.14816	5.5
201.09131	3.8
201.12695	5.0
201.16298	2.9
205.10172	2.8
205.12105	2.5
207.11729	3.6
209.09702	5.1
209.11497	2.8
209.13293	10.6
211.11227	8.2
211.14828	5.1
213.09279	2.0
213.12750	7.6
215.10791	3.6
215.14281	4.8
217.10216	2.8
217.12190	2.2
219.11829	3.7
221.13261	5.5
223.11191	5.0
223.14844	3.3
225.12714	7.3
227.12437	10.7
227.14603	4.1
229.12184	3.6
231.13629	2.4
233.15295	4.9
237.12721	6.0
239.14221	4.1
239.17978	3.3
251.14325	3.4
255.13748	2.8
257.18976	3.6
259.20551	3.4
265.15955	3.1
267.15872	5.9
269.18945	3.1
271.17221	2.2
271.20483	3.1
281.19107	2.6
287.20355	2.5
293.22522	2.2
295.20667	4.5
297.22064	5.0
307.20679	2.8
313.21640	6.1
321.22083	5.8
325.21606	13.0
331.20389	3.9
337.21729	2.9
339.23163	12.0
343.22638	8.2
349.21680	20.6
355.22745	4.4
357.24216	8.9
363.25092	2.4
367.22632	43.6
373.23776	5.7
375.25229	2.8
385.23669	26.7
387.25223	6.6
399.25290	7.1
403.24899	9.8
413.26883	4.5
417.26401	12.6
423.25348	8.6
429.26550	13.9
431.28091	2.6
441.26328	63.3
442.27048	3.3
459.27383	67.9
460.27997	4.8
477.28445	100.0
478.28702	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	476.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05495	14.8
57.07065	5.4
67.05513	23.7
69.07067	39.1
69.62446	24.7
69.62865	11.1
71.03704	4.3
79.05483	29.4
81.03401	6.3
81.07059	39.5
83.04979	8.5
83.08591	13.2
85.06536	10.1
91.05473	38.2
93.07040	66.8
95.04951	9.3
95.08604	33.8
103.05418	4.8
105.06364	7.6
105.07018	90.2
107.08582	51.8
109.06490	5.3
109.10136	19.5
111.08138	5.5
117.07019	27.7
119.08577	58.1
121.06515	5.9
121.10121	37.8
125.09669	5.4
128.06190	10.2
129.06987	20.6
131.08588	53.0
133.10107	36.2
135.11671	15.0
137.09598	6.1
141.06992	7.5
142.07751	23.1
143.08553	46.2
144.09314	9.2
145.06453	5.6
145.10106	38.4
147.08011	7.0
147.11667	18.7
149.06006	21.8
149.13351	6.5
153.06960	10.2
154.07690	5.2
155.08542	39.5
156.09344	15.4
157.10129	57.6
159.08064	7.8
159.11700	100.0
161.13240	32.5
163.11134	4.4
165.06993	11.5
166.07901	4.1
167.08540	14.4
168.09373	5.4
169.10121	44.5
170.10858	4.4
171.08047	6.3
171.11681	29.8
172.00554	4.4
173.09612	5.6
173.13260	14.5
175.07475	4.1
175.11119	20.7
177.37631	4.9
179.08603	13.8
180.09222	6.2
181.10188	29.4
182.10858	6.3
183.11676	34.0
184.12346	5.5
185.09633	8.3
185.13231	16.8
187.11176	15.0
187.14799	11.9
189.12854	10.6
191.08545	6.1
192.09340	12.7
193.10156	21.0
194.10953	7.4
195.11684	46.7
196.12497	8.1
197.13231	27.6
199.11179	5.6
199.14801	19.0
201.12769	7.9
203.10684	5.2
205.10283	8.6
205.12207	57.6
206.10904	13.0
207.11713	27.8
208.12445	6.9
209.13229	46.0
210.13805	6.2
211.11127	7.3
211.14781	30.1
212.15434	3.9
213.12679	5.4
215.14349	6.1
219.11694	13.0
220.12492	8.6
221.13226	35.9
223.11220	5.6
223.14796	26.4
225.12697	5.2
225.16261	10.3
227.14357	10.9
229.12198	10.7
231.11816	5.5
233.13312	8.7
234.14064	5.1
235.14844	20.3
236.15546	4.8
237.16321	17.1
239.14328	5.3
239.17824	5.2
240.18883	5.1
241.12184	4.1
246.13901	6.0
247.11087	4.3
247.14844	10.0
249.16360	19.3
251.17926	26.4
253.19452	7.7
255.13770	5.8
261.16330	12.8
263.17941	22.7
265.19504	6.8
267.17401	11.7
269.18970	10.3
275.17938	5.5
277.19617	26.7
279.17441	12.4
279.20804	7.9
281.19070	12.6
285.18881	4.5
289.19287	5.2
293.18954	4.5
293.22479	5.1
295.16855	6.2
297.18600	6.5
307.16919	5.7
307.24158	9.5
313.17981	7.4
317.22604	16.4
319.24307	16.2
323.20151	10.3
325.18008	7.0
335.23672	65.5
337.25281	13.5
345.22162	7.7
353.24811	31.3
363.23093	29.5
381.24286	27.0
395.25739	7.7
399.25208	10.9
484.20486	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	476.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25324	7.0
55.05503	27.9
56.67348	8.0
67.05484	34.9
69.07063	50.9
70.70803	26.8
79.05486	26.6
81.07051	45.2
83.04961	33.5
83.08627	10.4
85.06517	17.2
91.05466	50.3
93.07038	73.1
95.04987	9.3
95.08601	50.8
105.07023	100.0
107.08560	56.4
109.10150	20.6
117.07009	26.1
119.04870	11.7
119.08569	54.2
120.08900	10.1
121.10126	16.7
128.72113	7.0
129.06996	16.5
131.08588	44.4
133.10100	35.2
135.11650	17.5
142.07768	18.9
143.08559	23.2
144.09268	10.5
145.10101	43.3
147.11682	22.7
155.08542	25.0
156.09279	9.8
157.10144	47.0
159.11711	60.6
161.13228	12.9
165.06996	12.7
166.07764	9.8
167.08574	9.2
169.10117	34.3
171.08150	8.3
171.11691	24.1
173.09587	14.5
175.11171	24.9
179.08559	19.1
181.10110	32.0
182.10733	7.9
183.11644	22.6
185.13213	18.2
187.11142	9.6
189.12654	11.1
192.09380	8.9
193.10114	27.9
194.10887	12.9
195.11729	37.8
197.13231	31.4
199.14836	16.9
205.12254	34.1
206.10870	11.5
207.11662	26.1
209.13313	49.7
211.11203	9.4
211.14803	31.1
213.12747	14.1
219.11676	15.6
221.13266	34.4
223.14778	19.8
225.12794	8.9
229.15674	16.5
233.13412	9.9
235.14832	24.7
237.16280	14.2
247.14806	13.4
249.16415	12.6
251.17934	23.6
258.91888	8.2
261.16544	11.6
263.17929	27.5
267.17651	8.0
269.18939	16.1
277.19650	20.0
279.17429	16.3
281.19055	15.8
293.22760	9.1
297.18298	10.3
307.23825	10.1
313.17746	9.3
317.22574	25.1
319.24167	25.1
335.23627	40.3
337.25275	20.2
353.24780	16.2
363.23059	41.0
381.24228	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01883	4.6
55.05519	23.8
57.03423	12.4
67.05502	63.4
68.05847	5.6
69.07061	19.8
70.53686	5.3
70.54081	6.6
70.95788	2.5
71.04984	2.8
71.32531	2.8
79.05491	48.8
80.05821	5.9
81.03406	11.8
81.07056	73.9
82.07377	6.7
83.04980	11.1
83.08616	9.3
85.06499	2.9
91.05479	40.9
92.05791	3.7
93.07037	54.7
94.07362	5.9
95.04975	12.4
95.08608	41.7
97.06501	5.3
97.10161	4.8
98.06056	6.9
105.07034	34.5
107.04967	5.7
107.08588	26.4
109.06483	4.8
109.10148	15.6
110.10505	2.6
111.08096	4.4
115.05499	4.7
115.30335	3.1
117.07014	16.8
119.08569	30.2
121.06542	6.7
121.10144	22.7
123.08080	4.1
123.11715	5.4
129.07014	8.4
131.08565	14.7
133.10130	11.9
135.04449	3.3
135.11687	9.2
141.06956	4.8
142.07715	3.7
143.08562	5.0
145.06482	5.6
145.10130	16.5
147.11719	17.3
149.13283	7.7
150.13542	3.9
153.12770	3.5
155.08519	6.5
157.10156	12.9
159.11665	20.1
160.12070	3.6
161.13254	8.3
163.11221	5.6
167.08566	3.8
169.10101	8.3
171.11766	6.1
172.12083	3.8
173.13254	3.9
175.11168	6.3
181.10109	4.0
183.11685	5.2
185.13319	3.2
189.12788	3.6
193.10178	4.2
195.11765	7.4
197.13135	3.6
205.12213	7.5
207.11899	3.8
207.13777	4.7
209.13335	6.2
211.14799	6.1
219.11781	4.3
221.13239	4.5
227.12675	4.2
232.14572	5.1
237.16321	3.1
241.12633	2.9
247.14912	4.8
251.17896	3.4
263.18176	2.7
267.17264	3.2
267.67758	3.0
277.19504	5.4
279.17715	3.2
287.16690	2.9
304.26324	51.6
317.22699	3.8
335.25949	100.0
336.26392	3.5
353.24692	4.1
363.23380	6.0
381.24289	4.1
458.26477	6.1
476.26050	3.9
476.31009	13.3
477.28690	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	476.301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39358	6.8
55.05500	33.3
57.03429	13.5
58.01099	6.3
62.06083	41.8
64.23982	6.4
65.69088	6.3
67.05511	90.4
69.07067	29.9
71.04972	16.5
71.62652	9.2
71.63005	12.7
79.05482	79.5
81.03409	21.3
81.07059	88.2
83.04980	15.3
83.08617	16.3
85.06503	7.2
90.55814	6.9
91.05473	62.5
93.07050	97.1
93.65479	7.2
94.07359	11.0
95.04992	17.5
95.08612	59.6
96.05176	7.4
98.06012	11.2
105.07032	77.4
107.04953	18.4
107.08592	52.9
108.08848	8.6
109.06485	15.0
109.10153	25.9
115.05466	9.4
117.07023	26.0
119.08581	51.5
121.06477	16.5
121.10126	23.5
123.08112	11.5
125.09573	7.6
128.06169	8.8
129.07007	12.1
131.08537	39.5
133.10117	27.4
135.11688	22.7
141.06941	14.0
142.07773	22.9
143.08545	25.0
144.09332	8.5
145.06413	9.4
145.10138	31.3
147.08051	9.4
147.11684	19.6
149.13269	14.9
153.12726	9.0
155.08560	17.1
156.09247	8.6
157.10152	51.5
159.08066	10.3
159.11722	43.9
161.09608	9.9
161.13098	8.3
163.11186	13.3
165.06985	16.2
167.08490	11.8
169.10103	24.2
171.11717	19.0
175.11217	13.4
177.12775	13.7
179.08542	11.1
180.09386	8.6
181.10106	17.7
181.12248	9.2
183.11729	22.6
185.13339	19.2
187.11168	12.1
189.11102	8.5
192.09303	8.8
193.10071	21.2
193.12137	8.2
194.10884	9.2
195.11714	16.8
197.13313	9.9
203.10550	8.1
205.12247	15.7
207.11728	20.2
209.13268	25.8
211.14888	14.9
221.13174	22.0
223.14798	18.5
225.16385	12.5
227.10588	15.4
229.12253	16.1
232.14626	20.7
235.14937	10.3
237.16405	10.3
239.17802	8.0
243.98088	7.5
249.16571	39.1
251.17914	13.8
263.17963	10.8
265.19580	21.5
267.17380	8.9
293.19086	10.1
304.26431	23.4
335.26251	100.0
353.24728	10.2
363.23288	12.6
458.26636	21.5
476.27148	38.3
489.53369	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	476.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49564	9.6
52.91956	10.2
53.03925	15.1
53.66429	10.2
55.05508	55.7
57.03432	17.6
59.41423	9.0
67.05497	89.8
69.07048	33.8
71.04978	15.6
71.65823	19.4
74.09715	21.6
79.05487	77.4
81.03417	28.4
81.07052	92.5
83.04971	39.4
83.08607	32.1
91.05479	85.5
93.07052	100.0
95.04978	26.7
95.08600	79.7
97.06552	18.8
97.10184	15.1
105.07012	88.8
107.04932	22.9
107.08578	59.2
109.06529	24.1
109.10188	18.7
117.07000	35.5
119.08567	54.3
121.06503	19.5
121.10139	45.6
123.08032	12.8
125.08722	9.6
125.09665	10.0
129.06973	19.7
131.04980	13.1
131.08583	54.4
133.06525	12.0
133.10159	26.6
135.11674	24.8
137.09663	9.4
142.07800	17.2
143.08496	17.7
145.10115	36.3
147.08047	15.2
147.11702	15.8
149.05981	10.6
149.13274	21.8
155.08565	20.4
157.10095	30.5
159.11699	45.1
161.06000	17.2
161.09573	11.5
161.13303	14.3
163.11227	31.2
165.06970	13.9
165.66359	10.0
167.08508	10.7
171.11671	24.5
175.11249	17.7
183.11757	21.3
193.10234	17.5
193.12212	15.6
195.11658	18.0
197.13188	13.3
199.14909	11.0
205.12282	19.3
207.11754	13.8
209.13275	24.1
221.13306	11.3
226.56932	10.9
227.12679	22.5
231.11671	13.0
235.14751	13.0
247.14876	14.3
261.16449	11.8
263.18167	12.7
313.18146	11.3
335.23700	32.4
353.25061	15.1
365.79776	12.1
381.24173	27.3
385.23468	12.1
458.26105	12.2
459.27090	25.4
476.16653	11.5
476.27032	44.7
477.28680	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.05492	14.9
57.03421	6.5
62.06084	44.5
66.76548	2.8
66.89105	3.0
67.05500	44.1
69.03410	3.9
69.07066	17.2
79.05504	33.3
79.05923	5.8
81.03391	10.9
81.07046	43.9
83.04961	3.5
83.08599	11.7
85.06538	5.3
91.05489	22.9
91.63387	2.5
93.07031	43.2
95.04968	8.7
95.08604	34.7
97.06514	4.8
98.98439	12.0
104.28143	2.9
105.07034	21.7
107.04916	5.0
107.08591	23.7
109.06491	3.9
109.10133	14.1
117.07032	7.6
119.08594	19.0
121.06503	3.2
121.10120	15.1
123.11684	5.0
125.09637	3.3
129.06995	7.0
131.08527	10.1
133.10121	9.4
135.11649	7.4
143.08504	8.6
145.06525	3.3
145.10114	12.4
147.11678	6.4
155.08545	4.6
157.10109	6.2
159.08060	3.5
159.11684	10.7
161.09602	3.4
169.10112	7.5
171.11626	3.8
175.11192	5.7
181.10170	5.4
183.11681	3.5
185.13199	4.7
189.09134	3.6
193.10233	4.6
195.11594	6.2
197.13130	5.3
207.11690	7.8
209.13181	8.7
216.06277	4.6
223.14761	3.7
229.12137	4.3
229.39114	4.4
232.14430	6.2
249.16476	5.6
261.22131	5.3
265.19339	5.5
304.26337	14.6
335.25815	100.0
353.24716	3.3
458.26764	7.6
476.27234	11.9
492.26691	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01860	0.7
55.05511	6.7
57.03439	6.8
57.07078	0.7
57.13486	0.5
65.03942	1.1
67.05504	26.9
69.07071	7.0
69.87441	1.9
69.87859	1.0
71.04978	0.8
79.05491	13.6
81.07055	21.9
83.04961	0.6
83.08633	2.3
85.06543	0.5
91.05474	6.1
93.07042	16.3
95.04958	1.7
95.08606	17.2
97.06524	0.9
97.10186	0.5
98.05990	0.6
105.07026	4.3
105.84008	0.5
107.08590	7.0
109.10159	7.0
117.07001	1.3
119.08578	2.8
119.09271	0.4
121.10161	4.8
123.11687	1.4
124.01586	0.6
129.06992	0.5
131.08563	1.7
133.10141	2.1
135.11650	2.7
137.13197	0.6
145.10120	1.5
147.11630	1.5
149.13266	1.0
159.11699	1.2
161.13202	0.9
168.05588	0.5
187.14784	0.7
216.06343	0.9
261.22177	0.9
304.26349	3.7
335.25797	100.0
336.26184	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84864	0.4
53.03942	1.9
53.54700	0.5
55.01869	1.6
55.05511	1.9
55.70708	0.4
57.03436	0.7
57.07065	0.6
65.77534	0.5
67.05486	1.8
69.03427	4.3
69.07072	2.7
70.96300	1.2
70.96629	0.6
71.04967	2.7
73.02906	1.0
79.05470	2.8
81.03417	4.3
81.07056	6.3
83.08636	0.9
85.02899	11.6
85.06532	0.7
87.00843	3.7
91.05473	4.1
93.07036	9.4
95.04966	0.9
95.08601	6.1
97.02874	4.1
99.04446	2.2
99.08071	0.6
105.01870	4.7
105.07032	7.5
105.10371	0.5
107.08589	18.3
109.02883	3.8
109.06551	0.9
109.10141	2.1
111.08018	0.6
117.06999	0.6
119.08579	22.8
121.10137	2.4
123.08108	0.7
123.11682	3.2
127.03907	8.8
131.08568	0.8
133.10126	53.1
135.11687	56.9
136.12079	0.8
137.09634	2.2
142.07700	0.6
145.04945	3.9
145.10132	0.6
147.02798	0.6
147.11702	4.8
154.08659	0.8
155.08565	0.6
156.09370	0.6
157.10139	1.8
159.02898	2.4
160.12521	0.5
175.14816	100.0
176.15144	2.2
193.15874	72.5
194.16240	1.8
211.16922	25.8
214.71112	0.6
217.37108	0.5
229.12201	0.9
231.04950	1.5
278.51657	0.5
444.95612	0.6
477.17383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
53.20226	0.8
55.01868	1.6
55.05501	2.2
56.12501	0.8
57.03437	1.2
60.04510	0.9
64.35258	0.9
67.05494	2.0
69.03436	5.9
69.07045	2.7
70.06583	1.4
70.56041	2.0
71.04980	3.3
73.02892	1.1
79.05477	3.1
81.03418	4.4
81.06645	1.1
81.07054	10.5
82.06568	3.4
85.02899	15.7
87.00821	7.1
91.05470	3.5
93.07043	5.1
94.06550	3.4
95.04942	1.6
95.08604	12.8
95.09536	1.0
97.02895	4.5
99.04437	2.4
99.08081	3.9
100.11255	1.0
105.01849	6.0
105.07021	8.8
107.08594	8.7
108.08114	1.6
109.02872	2.8
109.10127	2.5
113.09642	1.4
116.10686	1.3
117.07030	0.9
119.08580	51.3
120.02498	0.8
121.10151	1.3
123.08083	0.9
123.11681	4.4
124.07612	1.9
127.03927	9.8
129.74713	1.0
131.08514	1.5
133.10124	100.0
134.10449	1.1
135.10683	1.2
135.11684	18.0
137.06004	1.3
137.09634	1.3
142.08623	4.2
145.04912	4.5
145.10106	1.0
147.11664	3.2
154.08627	8.7
159.02861	2.9
172.09709	1.1
175.14821	97.1
176.15147	2.3
193.14198	1.7
193.15878	21.3
198.11292	1.8
211.16922	21.6
231.04900	1.7
265.82898	0.9
284.97488	0.9
329.94537	0.9
404.28033	1.3
422.29028	3.8
440.30106	1.9
440.77719	0.9
476.27975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79976	1.8
55.01849	2.1
56.28274	1.7
57.03435	24.9
59.04983	4.9
60.04514	2.5
61.02902	4.3
69.03427	76.2
69.83171	11.1
70.06573	2.7
71.04966	2.7
72.74159	1.7
73.02914	4.3
75.04474	2.7
77.62255	1.6
79.05479	2.9
81.03415	3.1
81.07065	2.5
84.08141	2.1
85.02904	75.7
86.09724	2.8
87.04465	51.2
93.07052	1.9
97.02890	70.4
99.04443	6.2
100.23885	1.5
105.07039	7.8
109.02878	3.7
115.03927	100.0
119.04926	1.8
119.08664	1.7
120.08087	2.4
124.05209	13.2
127.03911	10.8
133.04964	88.7
133.06503	5.5
133.10092	2.0
137.05977	18.2
144.06468	1.9
145.04951	10.7
150.07648	10.2
155.31956	1.7
163.05995	10.0
165.09106	37.7
166.33063	1.9
178.73831	1.9
189.09044	2.3
191.21634	1.6
193.16025	1.7
207.73712	1.8
209.09534	2.4
231.10109	2.0
238.09639	3.8
241.06956	1.8
250.09357	1.8
253.12216	9.4
259.08160	2.9
294.11673	1.7
296.12848	15.3
314.13712	2.1
445.25192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
67.05493	3.1
68.90472	1.9
69.03418	9.7
69.07049	3.2
70.06577	4.7
72.10114	2.7
79.05477	3.8
81.03405	5.5
81.07043	5.7
84.04510	3.3
85.02889	12.0
86.09706	2.9
87.00819	3.6
87.04461	2.8
91.05482	5.7
93.07046	3.0
95.04973	2.8
95.08590	7.4
97.02886	10.6
97.06571	2.4
99.04407	3.3
105.01856	4.8
105.07021	8.8
107.08588	4.7
109.10123	2.8
119.08588	30.0
120.08088	2.8
121.10139	4.1
127.03898	10.3
133.04916	2.8
133.10138	27.1
147.11696	3.4
152.07124	2.6
154.08699	4.0
173.76112	2.2
175.14827	100.0
193.15807	3.9
198.11215	6.4
212.30042	2.5
232.68045	2.3
247.07425	2.4
251.09753	3.1
292.52075	2.4
314.10239	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	476.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64714	0.3
55.05476	0.5
56.40351	0.3
57.03417	0.3
66.78354	0.3
67.05500	0.5
68.56470	0.3
69.03405	1.4
69.07050	0.4
70.06596	1.6
70.15095	0.3
71.04974	0.4
71.65192	0.4
81.03400	0.4
81.07025	0.5
84.04496	0.4
84.08133	0.7
85.02907	1.7
86.09695	1.0
91.05510	0.8
93.07024	0.6
95.08564	0.6
97.02889	2.2
105.07026	0.8
107.08574	0.6
109.02858	0.4
109.10146	0.9
118.29039	0.3
119.08528	0.5
121.10101	0.5
127.03899	0.9
129.10262	0.3
133.10132	0.5
135.11674	0.6
136.07565	0.5
137.09605	0.9
148.82996	0.3
163.04002	0.4
165.06979	0.4
165.09085	0.5
176.06154	4.1
191.08492	2.0
193.15770	0.6
204.05693	13.8
205.06213	0.5
210.15616	0.4
219.08046	25.8
220.08423	0.8
222.06563	0.3
227.07823	0.3
232.05243	0.9
236.08345	0.4
247.07530	100.0
248.07939	3.1
264.07745	0.4
264.10214	0.4
265.08499	0.5
279.10144	42.7
280.10440	1.6
296.12796	28.8
297.11230	1.7
297.13934	0.5
314.38309	0.3
458.27008	0.5
472.40417	0.3
476.16595	0.4
476.27155	0.5
490.65039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79058	0.5
58.81961	0.4
61.02909	0.5
65.86491	0.5
69.03423	2.7
70.98040	1.0
70.98413	0.9
73.02875	0.6
81.03415	1.3
85.02905	6.3
97.02869	2.5
108.46745	0.5
109.02844	1.2
127.03867	0.7
127.40913	0.4
145.04956	0.8
156.27530	0.6
163.06482	0.5
165.07004	1.3
178.07758	1.3
179.08374	0.7
190.07678	0.5
191.08533	1.5
192.09315	0.6
193.06516	1.1
194.07300	1.6
195.08037	1.0
196.08926	0.6
204.05655	1.1
205.06529	1.3
206.07265	1.3
208.08826	8.5
209.09543	3.2
211.07454	0.5
218.07246	0.8
219.08028	3.8
220.08783	1.3
221.06090	2.5
221.09595	2.7
223.07582	0.9
223.11101	2.6
224.88205	0.5
225.09155	0.7
233.05962	2.5
233.09576	1.4
234.06717	0.7
235.07558	1.7
236.08333	15.1
236.10551	1.1
237.09030	4.6
239.07051	2.4
239.10675	1.0
246.06828	3.0
247.07553	3.8
248.08365	2.5
248.48045	0.5
249.05496	1.5
249.09134	1.1
250.06313	0.7
251.07050	4.1
251.10663	16.5
254.11794	1.9
256.15204	0.4
263.07083	1.6
264.07809	10.6
264.10297	2.0
265.08566	3.8
266.09433	3.1
267.06546	3.7
267.09058	0.5
268.09784	0.6
279.10153	28.0
280.10513	0.6
281.08054	1.4
282.08743	38.5
282.11346	7.6
283.09225	1.2
283.12042	2.0
285.11179	1.3
297.11200	100.0
298.11594	2.2
314.13843	12.1
338.13068	0.5
431.46796	0.6
458.17999	0.7
459.16733	1.0
476.19125	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	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.90173	0.2
58.06583	0.9
61.02900	0.2
65.03943	0.6
69.03412	1.3
69.94795	1.3
70.06583	1.1
71.04975	0.4
72.08113	0.2
75.50034	0.2
81.03408	0.5
81.07053	0.2
83.04958	0.2
84.08155	0.3
85.02908	1.9
86.09698	0.5
88.03932	0.3
91.05468	6.1
97.02876	1.1
99.04431	0.3
107.04933	1.6
113.21489	0.2
117.07043	0.2
119.04934	17.6
120.05203	0.3
121.06505	0.2
123.16103	0.2
127.03889	0.6
137.05922	0.3
138.09120	0.3
143.04924	0.5
145.06456	0.3
147.04398	100.0
148.04724	1.2
149.00563	0.2
163.03925	0.5
165.05481	1.1
175.07521	0.4
209.02617	0.3
251.06941	0.4
266.09268	1.5
267.06583	0.9
279.08997	0.3
282.08832	1.0
292.53378	0.3
297.11389	1.7
298.10788	0.3
299.11496	0.3
309.09695	0.9
314.13580	0.8
314.17511	1.4
459.16290	0.5
476.23831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01873	0.7
55.05533	0.3
57.03430	1.5
58.06601	0.6
60.04504	0.3
61.02917	1.7
69.03425	6.6
70.06593	1.6
71.04971	0.5
71.64762	0.5
73.02905	1.8
74.06040	0.4
75.81627	0.4
76.17415	0.3
78.71341	0.3
79.05501	0.4
81.03423	2.0
84.08176	0.3
85.02898	9.0
86.09701	2.0
87.04456	1.6
91.03930	0.4
91.05457	0.4
93.07053	0.4
97.02889	4.5
99.04453	0.8
105.07014	0.8
107.04933	1.0
107.08574	0.3
109.02882	1.0
127.03909	2.6
131.08533	0.8
133.05029	0.4
145.04982	1.1
147.04445	0.7
149.05890	0.4
149.09558	0.4
159.08058	0.6
159.11714	0.4
165.07011	0.6
177.06966	0.4
177.09099	1.5
178.08658	0.5
180.89859	0.3
187.07471	0.4
191.08533	0.4
205.06474	0.9
205.08453	0.4
207.08047	0.5
208.08879	0.4
211.07480	2.3
217.06352	0.4
219.08044	1.0
221.05963	0.9
222.06891	0.4
223.07515	5.1
233.05865	0.8
235.07568	1.7
236.08258	1.0
237.05481	0.5
237.08960	2.1
238.06158	0.4
238.09866	0.5
239.07021	4.3
240.10164	0.4
247.07521	0.7
248.08403	0.4
249.05470	1.8
249.09030	0.9
250.06245	1.4
251.04404	0.8
251.07018	16.4
252.07483	0.8
253.04839	0.8
253.08524	2.3
254.09366	0.6
261.30923	0.3
264.07806	0.4
264.10330	0.5
265.08591	7.1
266.09360	91.1
267.06512	40.4
267.09579	2.5
268.07220	2.7
279.10052	0.7
281.08054	0.5
282.08835	59.6
283.09280	0.9
296.12622	0.8
297.11179	100.0
298.11511	1.6
314.10330	0.5
314.13818	2.8
314.17212	0.7
326.52209	0.3
459.16467	33.7
460.16699	0.7
476.18726	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
54.29045	1.9
55.01863	5.6
55.05515	27.0
57.03420	8.3
57.07069	4.4
65.03922	3.9
67.05505	99.9
69.03437	2.2
69.07062	25.8
70.37043	9.5
71.04978	4.0
79.05493	96.5
81.03414	10.9
81.07056	100.0
83.04986	16.8
83.08614	17.0
85.06515	4.3
91.05476	72.0
93.07044	99.8
95.04963	25.6
95.08603	36.6
97.06528	15.1
97.10147	5.7
99.08055	2.6
105.07030	41.3
107.04929	7.4
107.08596	35.5
109.06499	6.5
109.10133	10.1
111.08075	8.5
111.90982	2.6
113.09644	2.4
117.06990	14.9
118.96960	2.9
119.08578	22.5
121.06503	5.8
121.10143	22.8
123.08028	7.4
123.11698	2.4
125.05960	2.5
128.06230	3.0
129.06996	15.2
131.08543	9.9
133.10139	18.2
135.08005	4.2
135.11655	8.9
143.08525	8.6
145.10089	12.5
147.08095	2.4
147.11673	35.5
149.13252	25.2
159.11679	13.0
161.09630	3.7
161.13275	10.6
163.11095	3.0
171.11681	26.6
173.74925	2.2
175.92584	2.2
177.12781	5.5
185.85587	2.2
189.12724	10.3
192.02391	2.1
195.13869	8.3
199.31487	2.4
207.13777	32.4
212.93652	2.1
225.14780	4.6
227.64453	2.7
295.73499	2.4
357.80771	2.9
407.01672	2.3
475.20593	2.8
475.30521	64.0
476.32016	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
51.57639	1.1
53.03946	8.6
55.01870	5.2
55.05260	2.2
55.05513	29.0
57.03439	5.9
57.07076	3.1
61.86815	1.0
65.03950	4.6
67.05506	93.0
68.05870	1.4
69.03432	2.1
69.07072	25.8
71.01344	1.1
71.05001	6.1
71.08615	1.5
73.06554	1.6
79.05131	0.9
79.05495	93.7
81.03421	14.8
81.07059	100.0
82.07419	1.4
83.04986	16.3
83.08617	16.4
85.06554	4.3
91.04899	2.4
91.05482	71.1
93.07045	86.8
95.04975	25.9
95.08604	35.3
97.06543	13.8
97.10178	6.3
99.08113	1.6
105.04572	2.4
105.07032	45.2
107.04968	8.4
107.08598	37.5
107.76557	1.1
109.06543	8.2
109.10158	7.0
111.04472	1.7
111.08077	7.3
113.09676	1.7
115.05445	2.0
117.07018	15.1
119.08579	22.4
119.09332	1.8
121.06525	4.6
121.10143	17.6
123.08038	7.0
123.11726	2.9
125.09685	1.6
127.07614	2.3
128.06267	3.6
129.07011	15.5
131.08578	10.3
133.06519	3.0
133.10143	15.7
135.08104	2.4
135.10747	1.9
135.11630	8.6
139.11259	2.2
141.06967	1.3
143.08548	9.4
145.10146	12.1
147.08148	2.7
147.11693	30.7
147.12772	2.2
149.09628	1.3
149.13251	23.9
149.14363	1.6
153.12813	1.5
155.08617	1.2
157.10179	2.8
159.11696	9.9
161.09662	3.5
161.13229	11.7
163.11241	2.4
163.71790	1.2
165.12823	1.3
167.14290	1.4
171.11699	26.3
171.13113	1.8
174.76843	1.2
177.12827	5.1
179.14478	1.1
189.12714	9.2
193.12363	2.0
195.12228	1.3
195.13800	5.9
207.13803	28.0
225.14749	2.7
227.12788	1.6
307.58121	1.3
383.21997	2.0
457.30609	1.7
475.30823	64.8
476.31219	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18586	1.5
53.03934	5.9
55.01859	6.0
55.05499	4.3
56.05006	2.0
57.03431	4.0
57.07070	2.0
57.16265	1.6
61.02916	3.7
67.05497	5.8
69.03430	22.1
69.07065	3.7
70.06576	5.4
71.04993	30.9
71.64931	2.7
72.08148	5.0
73.02901	4.3
78.17052	1.7
79.05477	3.8
79.26648	1.9
79.65912	1.6
80.39765	1.8
81.03413	15.3
81.07057	9.0
83.04951	3.1
83.08620	3.3
85.02408	2.9
85.02899	32.8
85.06553	11.1
86.09705	15.4
87.00827	12.5
91.05486	6.6
93.07053	9.8
95.04944	4.2
95.08593	8.5
95.25466	1.6
97.02898	12.9
97.06515	3.4
99.04453	100.0
99.08076	3.6
105.01868	7.1
105.03225	1.9
105.07019	7.9
107.04920	2.5
107.08604	15.5
109.02871	14.4
109.06535	4.3
109.10165	11.2
111.08025	2.3
113.09620	4.3
117.01850	2.0
117.06947	2.7
119.08585	5.8
121.06516	2.1
121.10137	11.4
123.08082	19.5
123.11701	10.5
125.09627	8.2
127.03925	16.5
127.11256	2.3
131.08551	6.0
133.10123	15.1
135.08032	3.7
137.05957	3.6
137.09572	2.3
139.11160	5.6
141.09058	2.1
145.04974	7.1
145.10121	4.2
147.11659	3.9
149.09602	6.1
149.13280	8.2
150.05850	2.0
151.11180	8.0
153.09044	2.2
159.02864	5.8
163.03877	1.7
163.14807	3.2
165.12706	3.8
167.07077	2.9
167.10669	4.1
169.12248	13.9
173.13237	6.2
177.69162	1.7
183.13812	31.8
185.16502	1.9
191.14296	14.2
201.54349	1.7
209.15355	29.7
217.62875	1.7
225.14757	1.8
227.16414	83.7
231.04962	2.6
250.08124	2.8
251.16200	2.8
326.61697	1.9
360.33566	1.9
475.15295	5.6
475.21466	3.2
475.32574	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	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
53.49581	4.4
55.01863	9.5
55.05507	40.1
57.03426	6.2
59.04986	5.1
65.03918	7.8
67.05503	67.3
69.03415	7.4
69.07056	32.7
69.96497	6.5
69.96896	22.6
70.45813	5.5
71.04976	11.3
75.04448	4.6
79.05489	70.3
81.03402	33.5
81.07047	71.7
83.04968	22.8
83.08613	21.5
85.06535	23.9
91.05481	66.9
93.07038	91.2
95.04962	27.9
95.08600	62.0
97.06506	19.0
97.10155	10.1
105.07025	100.0
107.04945	14.4
107.08588	75.1
109.06498	12.9
109.10144	31.1
111.04472	6.2
111.08069	10.5
115.05441	6.3
117.07017	31.2
119.08576	58.3
121.06502	15.3
121.10130	36.1
123.08086	9.0
125.09616	8.9
128.06210	12.9
129.06984	29.1
130.07762	6.3
131.08563	46.3
133.06447	7.2
133.10103	45.1
135.08018	12.1
135.11647	34.5
139.07405	5.7
141.07005	10.6
142.07735	16.5
143.08546	36.1
144.09283	7.6
145.06439	13.4
145.10098	44.8
147.04427	6.5
147.08005	10.9
147.11652	32.8
149.05986	11.2
149.09586	13.7
149.13184	4.8
153.06973	8.8
153.12741	7.6
155.08585	34.6
156.09315	6.5
157.10130	40.1
159.08067	10.3
159.11673	52.9
161.05927	5.3
161.09604	12.3
161.13211	30.4
163.07503	8.0
163.11137	12.9
165.06938	11.4
167.08557	14.9
168.09369	12.1
169.10118	33.4
170.10803	5.8
171.08060	4.6
171.11655	34.4
173.09605	12.7
173.13208	15.6
175.11244	23.2
177.12703	10.9
179.08546	9.3
181.10110	25.5
183.11685	23.5
185.09630	8.3
185.13223	24.6
187.07533	9.2
187.11206	11.6
187.14725	8.3
189.09122	8.6
191.10686	7.7
192.09270	6.5
193.10091	21.2
193.12172	10.0
194.10886	8.3
195.11705	31.7
196.12459	6.8
197.09491	5.7
197.13219	22.8
199.11105	8.0
199.14839	17.0
201.12671	13.1
201.16347	8.4
205.10417	4.9
205.12190	26.3
206.10855	10.0
207.11685	19.3
208.12537	8.5
209.13260	39.6
211.11084	6.8
211.14799	17.8
219.11623	15.7
221.13246	20.9
222.14021	7.0
223.14772	21.3
225.12813	7.0
225.16266	9.1
227.10692	6.1
227.12617	8.8
227.14569	6.3
229.12183	13.7
231.11641	7.3
232.12279	6.0
233.13264	10.6
234.14044	4.5
235.14783	16.9
237.16336	18.7
239.14172	7.3
239.17900	9.2
245.11722	5.4
247.14844	9.0
249.16365	9.7
251.17924	16.6
253.15785	5.6
253.19560	9.7
261.16370	17.1
263.17999	11.0
265.15747	6.4
267.17441	11.8
267.20737	4.8
269.18933	8.0
277.19440	12.6
279.17514	22.8
281.15533	5.7
281.18915	7.2
283.17010	7.0
285.18289	7.8
291.21036	9.0
293.22620	8.9
295.16898	7.5
295.20639	5.3
297.18396	6.2
313.17975	8.5
317.22583	14.2
319.24176	8.7
323.20233	6.7
335.23676	51.0
337.25168	12.9
339.23260	9.1
353.24719	13.2
363.23178	21.2
365.21027	8.8
381.24603	24.4
383.22025	24.7
397.23727	4.8
399.25125	10.8
401.22940	8.1
415.24710	6.6
441.26242	5.9
457.25912	10.1
475.26398	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
53.26630	0.7
55.01877	1.1
55.05513	10.8
55.09906	0.7
57.03410	0.9
59.04980	2.5
67.05487	3.6
69.03420	3.6
69.07050	2.4
70.06581	2.6
70.87856	2.8
71.04986	4.0
71.08620	4.1
72.08140	2.1
75.88720	0.8
78.32532	0.9
79.05477	4.1
81.07079	4.3
83.04984	13.0
83.08617	1.3
83.87124	1.0
84.08155	1.0
85.02898	2.4
86.06070	27.1
86.09707	1.3
87.04459	1.3
91.05482	2.9
93.07030	2.9
95.04974	1.6
95.08593	2.2
96.08138	5.5
97.06531	2.4
98.06065	1.3
98.09689	11.8
99.08060	1.9
101.06017	13.1
105.07028	2.7
107.04918	1.1
107.08579	2.2
108.08115	1.4
109.06513	1.7
109.10162	2.7
111.04446	20.3
116.10728	42.0
117.07046	1.7
119.08569	4.1
121.10145	2.6
123.08023	1.1
124.07561	2.1
127.03907	1.3
129.05469	8.5
129.06973	1.2
131.08557	2.0
133.05000	0.9
133.10120	6.4
134.09579	1.0
135.08035	1.4
137.05940	1.3
137.09576	0.9
142.08635	10.3
142.12244	3.4
143.10683	8.5
145.10088	1.5
147.06575	1.9
147.07996	1.5
149.13217	0.7
155.07014	4.1
159.07932	0.8
161.09695	0.9
164.10715	4.7
165.09058	1.4
167.06963	1.0
173.13258	2.5
175.14755	0.9
182.15340	4.0
190.12245	4.0
191.14340	6.0
197.08008	1.0
198.14857	2.2
202.09372	1.0
208.13313	6.0
214.09561	0.9
214.18019	9.4
215.09087	4.7
217.65883	1.1
226.14374	21.0
243.08653	3.8
244.15508	6.7
248.86240	0.8
312.17258	1.4
324.21729	1.9
330.19034	3.7
340.17734	1.1
358.18600	3.8
360.48495	1.0
376.19662	100.0
377.19858	2.7
383.22147	1.7
421.84952	0.9
456.20416	1.5
456.25967	3.6
457.25845	1.7
474.15106	1.1
474.21072	1.4
474.27084	20.0
475.27017	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31507	0.7
53.03934	1.2
54.40101	0.7
55.01861	3.4
55.05510	1.8
55.49369	0.8
57.03417	2.7
58.06571	0.8
59.13594	0.8
61.02918	1.5
67.05502	2.4
69.03433	10.5
69.07047	2.7
70.06582	1.1
71.04981	2.0
71.65183	1.5
73.02908	1.3
79.05484	3.9
81.03416	8.4
81.07056	5.6
85.02899	18.0
85.06525	1.8
87.00829	6.9
91.05477	8.0
93.07040	7.1
94.07367	1.2
95.04962	2.7
95.08603	8.2
97.02893	7.3
97.06543	6.1
98.30677	0.8
99.04442	2.8
105.01858	5.9
105.07023	25.9
107.04933	1.5
107.08600	10.6
109.02904	5.6
109.06504	1.6
109.10152	2.9
109.68092	0.8
111.04451	1.0
115.05462	1.0
116.06201	0.8
117.01864	1.3
117.07014	3.8
119.08569	17.4
121.06526	0.9
121.10134	4.3
123.08093	0.9
127.03913	10.7
128.06149	1.1
129.06995	2.0
131.08563	43.5
133.10124	57.3
135.08043	13.3
143.08446	3.8
144.09320	1.1
145.04945	6.1
145.10120	10.4
147.11696	6.3
149.09633	1.9
149.13309	5.7
156.09396	1.2
157.10130	1.2
158.10945	6.6
159.02850	4.5
159.11771	1.0
163.11127	1.8
163.14819	3.2
163.76514	0.9
165.09204	1.6
167.07014	2.4
171.11708	5.0
173.13260	100.0
174.13538	2.7
175.14816	27.2
183.11690	1.2
185.13300	1.3
191.14299	65.8
192.14677	0.8
195.62628	0.8
209.13399	0.9
209.15323	2.2
213.09103	0.9
231.05022	1.8
298.14206	0.8
318.39694	0.8
321.53171	0.9
375.21500	0.9
404.50711	0.8
474.27188	1.2
475.27014	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	474.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52389	0.5
55.01875	0.5
55.05511	5.3
57.03432	6.4
57.06818	0.8
57.07071	8.7
59.04988	1.9
61.02901	0.6
68.05011	1.1
69.03425	24.5
69.07056	0.7
70.06584	0.9
70.94987	1.1
70.95351	1.1
73.02913	1.4
75.04465	0.8
81.03389	1.2
83.08614	2.8
85.02898	15.9
85.93746	0.6
86.09683	1.0
87.04464	18.1
89.06025	23.6
97.02273	1.1
97.02886	19.9
99.04441	0.7
101.09650	11.4
105.06993	1.2
107.07063	25.7
109.02898	0.8
112.03970	0.7
115.03923	21.4
122.53361	0.6
127.03908	1.5
133.04964	21.2
133.05963	1.4
133.10083	1.3
145.04967	1.6
150.07582	1.4
163.13283	100.0
164.13667	1.6
176.05568	0.8
185.13280	0.7
187.19649	0.6
222.06607	0.6
227.16438	0.7
259.07886	1.1
265.08337	0.6
295.09631	2.3
331.12967	1.3
403.27478	0.6
437.70502	0.6
474.23685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
53.04372	1.9
55.05510	3.7
55.06137	1.9
57.03424	2.6
65.03965	2.0
67.05484	4.2
69.03443	5.1
69.07050	7.3
70.99181	3.5
70.99520	2.2
71.04997	14.9
79.05496	6.7
81.03403	4.4
81.07056	8.9
83.04989	3.2
83.08617	3.1
85.02917	9.2
85.06544	9.4
85.91468	2.1
91.05467	8.9
93.07030	11.6
93.75107	1.8
95.04949	4.0
95.08600	14.1
97.06528	21.3
105.01891	4.0
105.07009	12.5
107.08582	19.1
109.06522	3.8
109.10165	6.3
111.08091	4.6
117.06950	2.4
119.08565	9.6
121.10116	36.6
123.08044	4.2
127.03916	4.4
131.08537	9.6
133.10126	100.0
134.10425	2.2
135.08044	15.9
142.98390	1.9
145.10147	5.0
147.11681	17.7
149.13258	16.3
158.10883	5.4
173.13249	30.6
191.14290	99.9
192.14639	5.2
209.15414	3.1
249.06305	1.8
291.78690	2.0
312.16586	2.1
383.22189	2.8
475.27197	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	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.05526	1.9
57.07050	2.1
61.31753	1.5
67.05510	2.5
68.70122	1.6
69.03426	40.2
69.07061	3.7
69.58491	12.9
70.11619	1.5
74.69183	1.5
79.05486	2.9
81.03407	4.8
81.07027	5.9
83.05013	3.5
83.08608	1.7
85.02885	15.4
85.06546	2.1
86.09709	1.6
87.00814	5.7
91.05473	4.6
93.07018	4.9
95.04967	2.5
95.08614	7.4
97.02867	5.6
97.06513	3.4
99.04459	2.0
105.01855	4.2
105.07029	5.3
107.08574	13.5
108.08883	1.6
109.02852	3.5
109.06518	5.3
109.10192	2.5
111.08090	3.8
119.04810	1.8
119.08572	5.9
121.06467	2.6
121.10116	7.7
123.08032	2.4
123.11704	5.5
125.09619	16.3
127.03923	8.4
131.08569	5.1
133.10117	4.6
135.08029	9.2
135.11674	5.4
136.06213	2.8
145.04974	3.3
145.10117	3.7
147.11639	3.7
149.09639	3.5
149.13284	3.2
150.06705	1.6
153.09087	5.0
158.10893	3.6
163.11159	5.1
163.14833	4.1
165.12714	2.4
167.07080	1.7
173.13252	18.5
176.19420	1.6
185.13152	1.6
191.10725	2.2
191.14288	69.8
192.14610	2.4
193.08583	4.5
209.15343	100.0
210.15717	2.0
211.09619	3.2
239.41191	1.4
242.16811	1.5
245.12323	1.6
353.28864	2.0
355.38455	1.6
458.78934	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	474.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70725	1.7
51.82256	1.7
53.03936	2.4
55.01859	5.3
55.05504	9.0
57.03422	2.0
58.99593	8.2
67.05503	10.2
68.93441	1.6
68.99792	1.9
69.03425	8.0
69.07071	6.6
70.06606	2.9
71.04984	5.7
71.63389	1.5
71.63833	3.2
73.02922	5.3
74.51909	1.8
79.05502	13.3
81.03426	7.9
81.07053	19.8
82.07391	2.0
83.05003	2.9
83.08611	4.0
84.14929	1.5
85.02906	7.8
85.06538	4.8
86.99045	6.4
87.00839	6.4
91.05486	18.1
93.07053	18.7
95.04972	5.7
95.08599	12.0
97.01134	4.3
97.02925	4.7
97.06546	8.7
98.06888	1.7
105.01875	2.3
105.07028	37.1
106.07368	2.4
107.04953	3.8
107.08595	17.3
108.08926	2.0
109.02866	2.1
109.06535	10.0
109.10159	14.3
110.06860	2.6
110.09686	3.4
111.04485	2.8
111.08080	3.2
115.05464	3.4
117.00089	7.7
117.07027	16.8
119.08583	23.4
121.06485	3.2
121.10150	9.3
122.10526	2.8
123.08042	3.3
125.05945	1.7
127.03954	3.0
128.06201	9.4
129.01849	1.7
129.07013	12.5
130.07767	4.0
131.04828	2.0
131.08583	27.6
133.06485	4.0
133.10138	21.4
135.08044	4.0
135.11726	2.9
137.04245	2.7
137.05978	3.2
137.09660	2.4
138.09117	2.6
141.07024	2.6
142.07787	9.9
143.08562	36.8
144.09378	8.9
145.06540	4.2
145.10121	29.5
146.10529	1.8
147.02739	3.8
147.08069	7.2
147.11685	6.4
148.12065	2.8
149.04262	3.0
149.09628	5.4
149.13310	4.9
150.10019	1.9
151.07562	2.5
153.06952	2.0
155.08531	7.5
156.09344	7.3
157.06485	4.4
157.10138	31.3
158.10690	2.1
159.08087	5.5
159.11694	100.0
160.12077	6.0
161.04231	10.1
161.06044	2.7
161.09641	7.1
161.13278	6.8
163.05754	2.2
163.07584	2.6
163.11227	1.7
163.83325	1.7
165.09152	3.3
165.12766	2.0
167.08656	1.7
168.09377	3.4
169.10139	4.8
170.10962	3.2
171.08066	7.1
171.11685	15.8
172.12103	4.3
173.09618	8.1
173.13277	6.9
175.02429	6.9
175.05777	5.3
175.07384	3.4
175.11214	6.3
175.14832	2.5
177.07356	5.8
177.12762	6.1
180.17468	4.8
183.08183	2.3
183.11690	14.6
184.12462	3.4
185.13269	68.9
186.13847	2.5
187.11168	3.1
187.14934	2.6
189.09140	4.7
189.12695	10.9
190.13135	11.6
191.08849	2.0
191.10675	2.1
191.14333	7.4
193.10208	2.2
195.11696	4.2
199.11240	2.8
201.12828	5.7
203.14328	22.8
207.13806	3.9
208.14175	4.2
208.16988	11.9
209.15324	3.9
211.07852	2.1
213.12755	21.0
217.10458	26.0
217.12300	3.4
218.10913	2.9
219.13860	6.0
221.09979	4.8
223.07947	3.4
225.14868	7.5
226.15256	8.3
226.18044	45.7
229.12262	3.5
231.13811	81.6
235.11542	5.1
237.09392	3.8
243.11897	2.3
245.09982	10.7
249.14890	3.3
263.11032	42.3
274.98676	1.9
281.12027	16.2
307.58539	2.1
311.77686	1.8
335.12857	2.0
353.14362	4.0
376.19699	3.2
393.13754	4.4
421.13351	2.1
439.14240	10.1
439.26212	1.7
459.17468	2.8
474.27274	2.5
475.26758	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	473.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03943	12.3
55.01857	5.1
55.05262	1.7
55.05509	25.5
55.22029	1.1
57.03419	4.7
65.03929	3.4
67.05500	52.5
69.03412	3.3
69.07056	10.3
71.04977	3.9
73.06563	1.5
77.03893	1.4
79.05487	67.1
81.03414	100.0
81.07048	44.0
83.04974	14.5
83.08613	22.3
85.02927	1.6
85.06525	2.3
87.04427	1.1
91.05474	67.6
92.33922	1.2
93.07041	55.4
95.04964	44.2
95.08600	20.7
97.02889	4.5
97.06544	5.5
97.10170	6.0
99.08092	1.5
102.04785	1.3
103.05460	2.4
105.04519	1.8
105.07024	44.1
107.04940	11.4
107.08589	16.3
108.44234	1.1
109.06523	8.1
109.10149	8.2
111.04429	1.5
111.08080	10.4
115.05452	3.4
117.07020	11.9
119.08570	32.3
121.06514	5.8
121.10118	9.5
123.08064	6.1
125.09637	2.7
128.06219	4.9
129.06998	26.7
131.04948	1.5
131.08562	13.1
133.06511	4.5
133.10121	10.4
135.08051	2.7
135.11678	1.7
137.09608	2.8
141.06969	2.0
142.07768	4.8
143.08540	9.3
145.06487	1.5
145.10110	11.8
147.08099	5.4
147.11681	31.4
149.09647	5.5
155.08595	2.7
157.10149	8.1
159.08008	1.6
159.11758	1.9
161.09645	3.0
161.13249	10.2
163.11205	2.9
164.34688	1.2
165.12808	2.0
169.10150	2.7
171.08023	1.6
171.11673	22.4
173.09630	1.4
175.11197	9.7
181.10173	2.0
185.09668	2.7
189.12726	8.6
193.12227	30.1
205.12126	1.3
207.13791	21.1
209.13390	1.2
217.98004	1.1
225.14815	2.1
229.15874	2.6
231.13857	1.4
249.14877	2.7
281.17703	1.6
363.23346	1.5
381.24280	3.7
399.25342	2.6
403.24796	1.5
417.26044	1.2
455.27747	3.0
473.28986	73.6
474.29385	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	473.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63475	0.4
55.05492	0.8
57.03436	0.8
57.11197	0.4
67.05501	1.1
69.03416	1.8
69.07057	1.9
69.48583	4.3
70.06561	0.7
71.04971	0.6
72.08151	2.3
75.34155	0.4
79.05495	2.4
81.03383	0.7
81.07063	4.1
84.04493	0.8
85.02901	2.2
86.09709	3.4
87.04476	0.9
91.05479	1.5
93.07041	7.9
95.04952	1.5
95.08607	1.7
97.02892	1.4
97.06532	1.4
99.04461	0.9
105.07020	2.5
107.08582	3.2
109.02876	0.7
109.06525	3.0
109.10183	0.6
111.08096	2.4
119.08588	1.5
121.10154	3.8
123.08108	0.7
127.03927	1.3
127.07522	0.6
129.05461	0.7
133.05005	0.6
133.10152	0.5
133.82231	0.5
135.08046	0.9
135.11679	0.7
143.08516	1.0
145.10147	1.9
147.11632	0.8
149.09633	5.3
157.04967	7.5
157.10085	0.6
161.13277	0.8
163.11185	2.8
167.10698	7.6
169.04973	0.8
171.11682	0.5
173.09740	0.7
175.06004	1.8
183.06650	1.0
185.16551	0.9
189.12871	1.0
191.10689	1.9
199.14816	0.9
207.13863	1.8
213.07486	0.7
213.16095	0.5
217.15932	1.9
225.14835	1.1
235.16980	1.1
243.13411	1.8
247.07516	0.9
253.17990	0.5
265.19946	0.6
275.07254	3.5
276.19742	1.0
277.08609	1.1
281.13770	1.2
293.53555	0.5
299.15021	1.8
305.13980	0.5
311.18393	1.3
323.14713	1.1
358.31693	0.5
390.27460	0.5
442.26138	0.5
455.22519	9.9
473.23608	100.0
474.27716	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	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01870	7.5
55.05508	3.9
57.03423	5.3
58.06599	4.1
61.02921	3.7
62.43481	2.4
67.05499	6.0
69.03419	21.3
69.07065	3.9
70.06591	15.2
71.65128	3.3
72.08145	8.6
73.02929	6.1
74.06071	5.2
79.43319	2.8
81.03410	28.6
81.07029	16.6
84.08134	6.4
85.02901	100.0
85.03418	4.9
86.09685	19.7
87.00828	13.3
91.05486	10.6
93.07034	9.0
95.04963	5.4
95.08599	8.5
97.02892	18.7
97.06532	4.4
99.04442	11.8
105.01851	10.9
105.07040	9.5
107.08601	4.3
109.02888	24.2
109.06520	5.8
109.10139	11.5
119.08601	6.9
121.06509	4.0
121.10140	10.2
123.08030	5.4
123.11702	81.8
125.05987	10.3
127.03904	38.8
131.08673	3.1
133.10149	7.1
137.05998	4.9
137.09520	3.5
145.04973	6.3
145.10130	4.8
147.04413	4.9
147.08029	4.1
147.11688	8.3
149.09622	8.7
151.07538	7.4
161.05956	3.7
163.03908	7.3
163.11179	4.8
165.12813	4.5
167.10626	7.8
171.11667	3.0
175.11432	2.9
184.60066	3.1
189.12756	13.2
207.13771	79.5
225.14827	54.9
237.09161	4.7
265.08572	8.1
273.15027	5.6
280.10999	9.5
281.08011	7.1
296.10376	7.3
310.10431	2.9
311.12622	6.4
358.09781	3.2
369.94592	2.9
427.32339	3.4
455.19360	3.5
473.14163	18.2
473.21777	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	472.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.3
55.01802	0.2
56.05000	0.3
57.03413	0.4
57.63657	0.2
58.06570	0.2
61.02869	0.8
62.06044	0.2
64.10950	0.2
69.03426	2.1
69.07045	0.3
70.06592	2.3
70.94895	0.6
70.95262	0.2
71.04945	0.5
72.08093	0.6
73.02870	0.4
81.03365	0.9
83.08591	0.3
84.04437	0.5
84.08108	0.4
85.02902	3.6
86.06008	0.2
86.09659	0.5
87.04398	0.6
97.02900	1.4
109.02816	0.7
109.06437	0.3
110.07096	0.3
113.05978	0.2
127.03862	0.9
129.10194	0.3
145.04912	0.3
147.04323	0.2
159.11607	0.5
170.15125	0.2
178.06482	0.3
179.03409	1.0
184.09731	0.2
190.06410	0.5
196.68188	0.3
201.08884	0.2
206.06003	3.5
207.06647	0.5
208.07616	1.4
210.05438	0.8
215.13933	0.5
218.05968	0.5
219.06523	0.3
220.07616	0.3
234.05511	5.4
235.06250	1.3
236.07042	4.1
238.04967	0.3
248.07056	3.4
249.07431	0.2
250.04939	0.3
253.96185	0.2
262.04984	0.8
263.05801	0.4
264.06546	13.4
264.15891	0.2
265.06900	0.5
269.10281	0.2
292.06021	100.0
293.06363	3.6
310.07083	44.3
310.16653	0.8
311.07455	1.5
454.11505	0.7
472.12485	0.9
472.22079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93847	1.3
53.03940	4.6
53.70250	1.5
54.31121	1.6
54.40678	1.5
55.01878	3.4
55.05506	23.2
55.93168	1.3
57.03430	3.2
58.01140	1.3
65.03933	3.8
66.49149	1.6
67.05172	2.0
67.05502	23.4
69.03429	10.5
69.07065	20.4
69.89147	6.6
70.06586	4.6
71.04633	2.2
71.04988	17.7
78.21146	1.3
79.05489	22.8
81.06576	3.6
81.07055	67.8
83.04978	9.9
83.08606	6.3
85.02908	17.9
85.06541	4.4
86.09683	2.1
87.04455	2.5
89.03922	1.9
91.05475	24.3
92.81644	1.3
93.07035	49.3
95.04971	24.3
95.08602	53.4
97.02875	4.6
97.06530	11.4
97.10166	24.9
99.04433	4.0
99.08091	6.5
103.05463	2.6
105.07030	100.0
106.07345	2.3
106.12535	1.4
107.08591	46.1
107.09293	3.0
109.06503	5.2
109.10156	34.2
111.08061	6.0
111.11686	2.7
111.29805	1.4
115.03928	2.3
117.03365	3.1
117.07017	3.8
119.08579	47.7
121.06503	2.1
121.10143	29.7
123.08083	3.2
123.11724	18.4
125.09625	9.2
127.03908	2.2
127.11201	1.6
128.06221	2.5
129.05469	3.7
131.08554	12.9
133.06488	3.3
133.10132	63.1
134.10501	2.1
134.30107	1.6
135.04425	7.7
135.11702	24.0
137.09627	3.5
137.13239	2.2
139.11189	6.7
143.03386	1.6
143.08560	6.3
143.10693	4.8
145.02835	4.2
145.10118	16.7
146.07227	2.2
147.04439	1.8
147.11679	34.0
149.09590	2.3
149.13264	16.9
151.11162	8.7
153.12747	3.5
155.10674	1.5
157.10101	4.1
159.11691	20.1
161.09618	34.1
161.13252	14.1
163.03905	47.5
163.11171	7.4
163.14790	8.1
164.04274	2.2
165.12759	8.6
169.50690	1.4
171.11624	2.3
173.12004	1.8
173.13258	11.6
175.14786	7.1
177.12740	5.3
177.16423	3.6
179.10686	5.0
179.14326	2.3
181.05106	1.7
181.12253	1.9
181.15817	2.1
183.06537	2.5
183.11687	1.8
185.13266	3.6
187.14799	9.5
189.09137	6.8
189.12741	3.3
189.16374	3.0
191.14276	17.4
193.15887	2.9
197.13333	2.5
201.16301	2.2
205.15965	3.5
207.10176	2.2
209.15356	20.6
211.14844	3.3
223.16965	2.3
225.16377	2.2
257.13858	2.9
257.19147	1.8
257.22693	3.2
267.21091	5.3
273.22128	3.3
273.75006	1.6
275.23758	3.9
285.22110	9.4
291.23206	7.8
293.13748	11.4
303.12384	3.3
303.23209	25.2
321.13257	11.0
321.24219	3.6
323.18579	6.9
391.24738	2.1
405.26239	7.2
417.26416	7.7
435.27328	5.4
453.28436	4.0
471.19312	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	471.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93847	1.3
53.03940	4.6
53.70250	1.5
54.31121	1.6
54.40678	1.5
55.01878	3.4
55.05506	23.2
55.93168	1.3
57.03430	3.2
58.01140	1.3
65.03933	3.8
66.49149	1.6
67.05172	2.0
67.05502	23.4
69.03429	10.5
69.07065	20.4
69.89147	6.6
70.06586	4.6
71.04633	2.2
71.04988	17.7
78.21146	1.3
79.05489	22.8
81.06576	3.6
81.07055	67.8
83.04978	9.9
83.08606	6.3
85.02908	17.9
85.06541	4.4
86.09683	2.1
87.04455	2.5
89.03922	1.9
91.05475	24.3
92.81644	1.3
93.07035	49.3
95.04971	24.3
95.08602	53.4
97.02875	4.6
97.06530	11.4
97.10166	24.9
99.04433	4.0
99.08091	6.5
103.05463	2.6
105.07030	100.0
106.07345	2.3
106.12535	1.4
107.08591	46.1
107.09293	3.0
109.06503	5.2
109.10156	34.2
111.08061	6.0
111.11686	2.7
111.29805	1.4
115.03928	2.3
117.03365	3.1
117.07017	3.8
119.08579	47.7
121.06503	2.1
121.10143	29.7
123.08083	3.2
123.11724	18.4
125.09625	9.2
127.03908	2.2
127.11201	1.6
128.06221	2.5
129.05469	3.7
131.08554	12.9
133.06488	3.3
133.10132	63.1
134.10501	2.1
134.30107	1.6
135.04425	7.7
135.11702	24.0
137.09627	3.5
137.13239	2.2
139.11189	6.7
143.03386	1.6
143.08560	6.3
143.10693	4.8
145.02835	4.2
145.10118	16.7
146.07227	2.2
147.04439	1.8
147.11679	34.0
149.09590	2.3
149.13264	16.9
151.11162	8.7
153.12747	3.5
155.10674	1.5
157.10101	4.1
159.11691	20.1
161.09618	34.1
161.13252	14.1
163.03905	47.5
163.11171	7.4
163.14790	8.1
164.04274	2.2
165.12759	8.6
169.50690	1.4
171.11624	2.3
173.12004	1.8
173.13258	11.6
175.14786	7.1
177.12740	5.3
177.16423	3.6
179.10686	5.0
179.14326	2.3
181.05106	1.7
181.12253	1.9
181.15817	2.1
183.06537	2.5
183.11687	1.8
185.13266	3.6
187.14799	9.5
189.09137	6.8
189.12741	3.3
189.16374	3.0
191.14276	17.4
193.15887	2.9
197.13333	2.5
201.16301	2.2
205.15965	3.5
207.10176	2.2
209.15356	20.6
211.14844	3.3
223.16965	2.3
225.16377	2.2
257.13858	2.9
257.19147	1.8
257.22693	3.2
267.21091	5.3
273.22128	3.3
273.75006	1.6
275.23758	3.9
285.22110	9.4
291.23206	7.8
293.13748	11.4
303.12384	3.3
303.23209	25.2
321.13257	11.0
321.24219	3.6
323.18579	6.9
391.24738	2.1
405.26239	7.2
417.26416	7.7
435.27328	5.4
453.28436	4.0
471.19312	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	470.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73478	10.1
67.05499	27.0
69.07048	15.1
71.66765	19.4
71.67151	13.2
71.78395	11.3
73.36140	11.2
79.05495	26.2
81.07059	100.0
91.05472	19.4
93.07027	41.1
95.08607	58.1
105.07012	53.9
107.08587	31.2
109.10149	73.7
119.08569	37.5
120.73388	14.3
123.11709	14.4
131.08583	15.0
133.10136	13.7
135.11659	15.2
137.13226	21.9
143.08524	13.5
147.11641	12.7
149.13206	13.8
157.10110	14.4
159.11679	49.7
161.13281	25.9
169.10124	11.0
177.12776	21.5
197.13284	15.2
211.98485	10.2
232.95570	10.8
257.18991	16.8
389.31924	13.8
493.18546	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05517	0.9
58.06583	0.6
69.03437	0.7
70.06585	2.6
70.28995	0.6
70.29298	2.8
71.04997	1.1
71.06941	0.7
72.08137	0.6
81.07047	1.2
84.08146	0.8
85.02911	2.1
86.09714	1.9
91.05455	1.4
93.07034	1.3
95.08614	0.8
97.02779	0.8
98.20861	0.6
119.08614	0.9
121.10107	0.7
127.03894	0.6
135.04376	0.7
145.02806	0.8
147.04390	1.6
159.11620	0.7
163.03928	2.9
174.58907	0.6
203.05225	4.2
217.12035	3.1
229.51500	0.6
291.15692	17.1
322.07208	1.3
340.07925	0.9
397.18402	6.1
453.21014	1.0
471.22021	100.0
472.22156	3.7
475.10956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.7
55.83203	6.3
57.07069	15.9
60.73098	6.2
67.05508	49.3
69.07067	46.6
69.58936	34.5
71.08624	11.4
71.48960	5.2
79.05489	24.5
81.07057	100.0
83.08619	26.3
91.05481	16.6
93.07060	35.9
95.05005	9.0
95.08604	81.6
105.07005	31.5
107.08595	47.9
109.10146	86.1
119.08585	33.4
120.88460	5.9
121.10133	48.2
123.11702	38.9
131.08627	13.7
133.10118	26.6
135.11653	30.1
137.13255	21.8
145.10095	18.4
147.11687	17.5
149.13231	20.8
149.83684	6.4
152.32045	7.0
159.11699	11.4
161.13281	17.9
163.14825	11.5
173.13268	9.5
175.14851	10.7
177.16313	9.3
187.14812	11.8
189.16382	6.9
191.17935	7.1
203.17967	10.0
214.90718	8.2
217.19591	12.9
409.38074	18.4
451.32104	12.1
469.32144	13.7
469.39352	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	469.3317
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
55.05506	16.0
57.07073	8.2
63.89691	4.4
67.05504	41.3
69.07071	48.1
69.31007	40.1
69.31428	16.5
71.04985	4.9
75.29671	4.9
79.05484	20.9
81.07055	100.0
83.05021	5.2
83.08620	6.8
85.06528	21.8
91.05465	17.6
93.07054	42.8
95.08606	90.9
97.10163	6.1
98.20740	11.0
105.07050	35.2
107.08617	35.9
109.10151	72.1
110.10555	7.1
117.07018	9.9
119.08586	29.0
121.10149	20.7
123.11712	34.6
129.06999	7.8
131.08551	24.6
133.10138	23.5
135.11691	16.5
137.13249	30.1
142.07794	7.5
143.08572	16.3
145.10121	20.5
147.11720	23.0
149.13261	9.0
155.08528	12.1
157.10156	23.9
159.11697	22.9
169.10097	7.5
171.11667	21.4
173.11763	6.4
173.13274	19.0
175.11179	19.7
175.14711	5.3
181.09973	8.6
181.37300	4.8
183.11737	13.0
185.13249	8.6
187.14815	4.9
188.99254	4.8
193.10300	5.0
193.12241	6.5
195.11700	11.7
197.13226	10.5
199.14861	14.6
201.12706	6.3
207.11681	6.1
209.13226	14.9
211.14841	16.1
213.16269	7.6
221.13329	4.8
223.14912	22.9
225.16345	9.4
229.19521	9.7
235.14825	6.4
237.16418	8.6
239.17987	8.6
245.15247	5.7
248.09064	5.3
251.17964	8.0
267.17398	5.3
269.19064	7.1
271.20493	5.4
281.19089	8.9
282.18909	5.4
283.20581	5.4
287.20029	7.3
293.18713	6.0
297.18848	6.1
297.22055	9.1
315.43872	5.4
343.22760	6.7
347.27536	6.9
393.28036	6.2
405.31549	32.3
407.32938	9.0
423.32352	24.8
433.31107	30.4
451.31851	25.0
469.32614	41.3
469.36987	8.3
469.38690	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	469.3313
Annotation	Myrica acid
Peak:m/z	Relative Intensity
55.05513	15.6
57.07080	9.2
67.05508	47.3
69.07059	26.4
71.04989	8.1
71.08659	4.5
71.64661	6.6
77.39416	4.4
79.05475	29.0
81.07055	99.3
83.08617	14.1
85.06535	12.3
91.05487	31.6
93.07050	57.1
95.04952	7.0
95.08607	100.0
97.06496	5.4
97.10165	7.4
100.33227	3.8
105.07043	49.4
107.08596	49.6
109.10159	61.5
111.11736	5.7
111.82134	4.6
117.07031	24.4
119.08575	45.3
121.10140	24.1
123.11722	21.6
129.07005	13.4
130.07855	4.7
131.08577	32.2
133.10136	34.1
135.04402	6.8
135.11678	19.7
137.13269	20.4
142.07759	7.4
143.08553	13.8
145.10149	32.9
147.11642	25.4
149.13249	24.8
151.11197	5.6
155.08615	15.3
157.10155	29.4
159.11685	40.2
161.13258	15.2
163.14832	6.8
165.09125	5.0
169.10115	9.5
171.11707	17.7
173.13301	12.6
175.11134	21.2
175.14864	7.8
177.12802	8.7
179.10704	5.7
181.10170	7.5
183.11789	24.8
185.13303	14.9
187.14761	11.5
189.12711	4.7
189.16382	13.4
193.10295	5.2
193.12337	7.8
195.11688	12.5
197.13260	13.7
199.14772	6.9
201.16499	4.9
207.11771	7.7
209.13313	11.1
211.14874	11.6
213.16431	4.6
221.13286	5.7
223.14780	14.4
229.19597	14.4
236.65842	4.1
237.16472	8.9
239.14149	5.2
241.19595	6.5
248.88704	5.6
251.17920	5.6
255.21037	5.1
265.19489	8.3
267.17252	5.5
267.21127	4.9
273.18573	6.5
283.17157	5.7
305.22910	5.7
323.23636	7.3
347.27350	10.6
387.30405	6.6
405.31537	56.4
423.32455	41.4
433.31259	22.2
441.33652	5.8
451.32013	48.1
461.81409	5.6
469.32867	34.0
470.33054	6.5
484.99374	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	469.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
70.03000	1.4
70.03411	0.8
79.05505	2.3
85.10511	0.4
91.05490	2.1
91.84823	0.4
95.04977	0.6
103.05474	3.3
105.06393	0.7
105.07037	9.9
107.04946	0.9
107.08617	0.5
109.02903	0.6
109.06523	1.0
115.05471	0.9
118.04163	8.3
119.04935	1.8
120.05751	0.6
121.06487	1.3
122.07276	1.4
124.05204	3.9
131.04941	0.5
133.06488	13.8
133.71870	0.5
134.07300	1.1
135.04431	1.5
135.08047	1.8
137.05946	2.0
150.06746	5.1
151.07524	2.4
161.05975	2.3
162.01366	0.4
165.09111	7.9
179.06952	0.7
181.60617	0.5
193.08606	49.1
194.09373	4.3
201.05217	5.1
213.08263	0.5
216.07573	100.0
217.07935	1.8
227.21451	0.4
234.08632	1.0
246.83871	0.5
255.52284	0.5
257.10162	3.2
261.06149	0.8
276.08328	0.5
279.07184	1.6
294.09430	2.4
317.11133	0.6
409.16220	11.7
409.21436	1.0
450.19055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01862	0.4
66.67862	0.3
73.48429	0.3
79.05482	3.7
90.20030	0.3
91.05482	1.3
95.04958	0.9
98.21478	1.2
103.05465	3.0
104.06268	0.4
105.07021	15.2
107.04961	1.2
108.05792	0.3
115.05427	0.9
118.04140	2.3
119.04906	1.0
120.05729	0.9
121.06493	0.9
122.03658	0.4
122.07279	1.0
122.42233	0.4
124.05222	0.4
131.04895	0.5
132.05678	0.9
133.06479	14.1
134.07268	0.4
135.04430	0.9
135.08031	1.7
137.05972	5.2
148.05157	0.6
149.05925	0.5
150.06738	4.4
151.22447	0.3
161.05904	0.4
165.09102	12.3
166.09509	0.5
175.07483	0.3
178.06223	0.9
193.08589	55.9
194.09193	2.1
201.05209	4.7
216.07559	100.0
217.07831	2.0
234.08601	1.1
237.06207	0.5
249.72432	0.3
257.10251	1.5
261.05917	0.5
276.00897	0.4
276.08420	0.8
279.07095	2.1
294.09381	2.4
295.09436	0.4
319.11334	0.4
409.16196	10.6
410.16287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18511	0.6
53.03944	8.2
55.01876	3.7
61.02913	2.0
65.03931	4.6
67.05499	5.9
69.03421	1.2
70.06584	1.4
70.88718	2.0
71.01340	1.0
77.03895	0.9
79.05508	1.6
81.03416	1.0
81.07041	0.8
82.04209	0.8
83.04958	0.7
85.02900	1.3
91.05470	3.6
93.03413	0.8
95.04965	67.6
96.05319	0.7
97.02859	1.1
97.06528	1.1
105.03384	1.3
105.04496	3.5
105.07014	0.8
107.04947	2.3
108.02074	2.2
109.06512	1.4
110.03668	1.4
111.04424	2.4
119.04931	1.5
121.02853	0.7
121.06463	1.6
122.03715	0.7
123.04425	75.7
124.04693	1.1
125.02320	2.0
125.06010	1.3
127.03892	0.8
127.07534	0.9
131.04854	1.0
133.02829	3.2
133.06517	1.5
137.05997	4.7
138.03111	1.0
139.03882	1.1
140.04681	23.9
142.02626	0.9
147.04398	2.4
149.05959	2.2
151.03894	2.0
151.07494	2.6
153.05464	3.7
153.06886	0.7
155.07024	43.7
161.05974	1.0
163.03928	2.5
165.05467	8.0
166.06262	1.4
167.07048	19.0
167.08450	0.9
171.06502	1.2
173.08118	0.8
175.07512	0.9
177.05450	4.8
179.07083	3.8
180.07829	3.7
181.04962	28.2
182.92661	0.7
183.06525	100.0
184.06853	2.0
187.07565	1.6
189.09032	1.0
191.07149	1.2
193.04955	5.0
195.06511	6.0
195.08066	1.0
197.08119	1.0
199.07672	1.1
207.06577	3.3
208.07294	10.0
209.08115	5.5
213.09058	1.4
215.07076	0.8
217.08617	1.1
219.06488	1.1
225.07568	20.7
226.08334	4.9
227.09128	2.5
230.24608	0.8
231.10204	1.5
235.09660	0.9
243.08592	1.6
259.09573	1.8
260.09952	1.0
277.10696	7.4
359.11234	1.5
449.64078	0.9
469.17203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97783	0.8
53.03952	0.8
53.95035	1.0
55.05505	11.9
57.03423	1.4
57.07075	38.3
59.05001	4.2
65.03930	2.5
67.05502	100.0
68.05797	1.2
69.07066	9.8
69.61362	7.3
71.04984	3.0
71.08630	26.2
79.05487	2.4
81.07054	27.3
83.08617	16.1
83.69339	0.7
85.06536	3.7
85.10181	16.7
85.10674	0.6
87.38618	0.7
91.05498	6.2
93.07059	4.0
95.08602	28.4
97.10146	5.6
99.08125	0.8
99.11726	2.0
107.08578	1.8
109.10150	87.1
111.08090	3.2
111.11695	2.3
119.08585	7.4
123.11707	4.9
125.13271	2.1
137.09625	4.3
137.13260	3.0
151.14822	1.3
153.02275	0.7
155.10695	6.3
159.15372	0.8
169.29320	0.7
173.11736	31.0
174.12120	1.4
218.92561	1.0
221.22636	0.9
239.23729	10.9
467.37366	95.0
468.37592	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.1
57.03427	2.8
57.07076	39.5
59.04994	5.4
65.03938	3.2
67.05504	100.0
68.05840	0.8
69.03413	1.1
69.07066	9.5
69.28973	9.3
71.04994	3.3
71.08236	1.4
71.08632	24.5
78.53528	0.7
79.05499	3.7
81.07057	31.6
83.08617	17.4
85.06540	3.1
85.10181	14.2
85.10660	1.0
87.91586	0.6
91.05477	5.7
91.61978	0.7
93.07045	4.9
95.08610	29.4
97.10166	5.7
98.21505	1.9
98.98459	11.0
99.08116	0.7
105.07029	1.8
107.08585	2.6
109.10157	78.3
110.71568	0.7
111.08086	2.1
111.11735	1.7
119.08575	5.9
123.11711	4.5
127.65712	0.7
137.09634	3.0
137.13295	1.9
143.08537	0.9
145.10126	1.1
151.14847	1.7
155.01051	9.1
155.10684	3.1
157.10167	1.2
159.11688	0.8
171.11980	0.7
173.11743	25.2
173.13042	1.0
182.98363	0.8
183.11754	1.1
221.22588	0.8
224.97797	0.7
235.14647	0.7
239.23723	9.7
245.71707	0.7
313.27359	20.1
314.27786	1.7
388.67804	0.7
449.26477	1.6
467.37335	79.4
468.37726	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.4
57.03436	1.4
57.07070	34.7
58.15807	0.6
59.04990	3.4
65.03939	2.0
67.05497	100.0
69.03424	0.8
69.07059	9.6
71.04996	2.9
71.08623	26.9
71.65189	1.0
79.05492	2.5
81.07049	28.3
83.08614	17.2
85.06525	3.1
85.10175	13.3
91.05477	6.1
93.07011	3.2
95.08599	26.0
97.10164	6.0
99.08119	0.7
99.11734	1.2
107.08582	1.7
109.10146	81.9
111.08073	2.3
111.11668	1.6
114.35054	0.8
119.08559	6.3
123.11713	4.0
125.13274	1.5
137.09581	3.3
137.13277	2.5
152.06360	0.6
155.10693	4.0
173.11722	28.8
211.13214	0.7
216.78853	0.6
221.22705	0.8
239.23648	10.5
253.20235	0.6
417.05142	0.7
467.37292	84.3
468.37671	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.5
57.03435	1.9
57.07075	26.2
59.04982	1.9
64.16968	1.1
65.03911	1.1
67.05501	74.7
68.05824	1.1
69.07061	6.5
69.85022	6.9
71.04974	3.1
71.08627	18.1
76.33564	1.4
79.05465	1.7
80.64814	1.0
81.07048	19.6
82.18076	0.9
83.08617	12.5
85.10183	9.0
89.35013	0.9
91.05454	4.2
93.07030	2.5
95.08028	1.9
95.08599	21.1
97.10153	5.6
99.11698	1.5
99.86108	0.9
107.08549	2.2
109.10152	67.0
111.08099	1.0
111.11714	2.1
119.08566	3.0
123.11698	3.9
125.13213	1.2
133.81723	1.0
137.09592	3.6
137.13257	3.3
145.75002	1.0
155.10670	3.4
155.51035	0.9
173.10220	1.4
173.11734	28.7
184.95538	1.0
221.22688	1.4
239.23668	9.8
270.13800	0.9
379.37277	1.0
467.37323	100.0
468.37885	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05506	11.7
57.03435	1.8
57.07071	33.4
59.05000	4.3
62.98397	0.7
62.98690	0.7
63.43045	0.6
65.03933	2.1
65.19740	0.6
67.05499	100.0
69.07060	7.8
69.07401	0.8
71.04982	2.9
71.08627	25.2
71.14351	0.8
79.05476	3.2
81.07053	25.5
83.08607	15.7
85.06541	2.7
85.10181	11.2
90.65114	0.6
91.05467	6.5
93.07040	3.0
95.04972	0.7
95.08598	22.8
95.97794	0.6
97.10154	3.9
99.08124	0.8
99.11694	1.3
107.08559	2.1
109.10148	74.6
110.10490	1.1
111.06236	0.6
111.08109	2.4
111.11710	1.3
119.08593	4.9
123.11704	2.8
125.13276	1.4
137.09621	2.3
137.13283	1.9
139.14908	0.7
151.14767	1.4
155.10661	2.9
173.11731	22.4
221.22525	0.9
223.89587	0.8
239.23703	7.9
365.43311	0.6
429.44760	0.7
467.37305	72.0
468.37543	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.1
57.03427	2.8
57.07076	39.5
59.04994	5.4
65.03938	3.2
67.05504	100.0
68.05840	0.8
69.03413	1.1
69.07066	9.5
69.28973	9.3
71.04994	3.3
71.08236	1.4
71.08632	24.5
78.53528	0.7
79.05499	3.7
81.07057	31.6
83.08617	17.4
85.06540	3.1
85.10181	14.2
85.10660	1.0
87.91586	0.6
91.05477	5.7
91.61978	0.7
93.07045	4.9
95.08610	29.4
97.10166	5.7
98.21505	1.9
98.98459	11.0
99.08116	0.7
105.07029	1.8
107.08585	2.6
109.10157	78.3
110.71568	0.7
111.08086	2.1
111.11735	1.7
119.08575	5.9
123.11711	4.5
127.65712	0.7
137.09634	3.0
137.13295	1.9
143.08537	0.9
145.10126	1.1
151.14847	1.7
155.01051	9.1
155.10684	3.1
157.10167	1.2
159.11688	0.8
171.11980	0.7
173.11743	25.2
173.13042	1.0
182.98363	0.8
183.11754	1.1
221.22588	0.8
224.97797	0.7
235.14647	0.7
239.23723	9.7
245.71707	0.7
313.27359	20.1
314.27786	1.7
388.67804	0.7
449.26477	1.6
467.37335	79.4
468.37726	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.5
57.03445	7.6
57.03683	1.9
57.07076	44.9
59.05001	1.2
59.61769	1.2
63.32281	1.0
64.96222	1.3
65.03923	1.3
67.05503	48.7
69.07066	11.6
70.03338	1.2
71.04986	1.6
71.08627	29.0
79.05483	3.6
81.07053	24.8
83.08606	13.3
85.06545	3.2
85.10178	16.2
89.06030	1.3
91.05445	2.9
93.07021	3.5
95.08604	22.1
97.10154	5.7
98.98466	48.3
98.99113	2.7
105.07023	2.2
107.08571	2.1
109.06612	1.1
109.10155	37.4
116.99480	1.7
119.08588	3.4
121.10147	1.5
123.11678	4.6
135.11650	1.2
136.99983	4.4
137.09639	1.4
137.13249	1.7
145.10127	1.5
155.01038	49.2
157.10109	1.5
173.11775	9.9
211.03566	1.6
229.04666	2.6
229.48546	1.2
239.23711	7.5
254.68028	1.3
313.27359	100.0
314.27652	2.2
316.67804	1.2
393.24075	2.4
449.26514	11.6
467.26468	1.3
467.37314	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	467.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05512	14.9
58.36885	3.1
61.52763	2.6
62.63719	2.6
62.69766	2.7
62.71670	2.5
63.55856	2.5
65.03964	2.8
65.31538	3.3
65.35351	2.6
67.05505	29.2
69.07055	8.3
71.04985	6.9
71.08609	2.7
71.62628	5.3
79.05501	28.1
81.07063	34.5
83.04980	3.5
83.08620	11.5
85.02937	2.8
85.06534	17.4
91.05488	29.5
93.07046	39.6
95.04945	7.7
95.08608	24.0
97.06510	7.8
103.05475	3.0
105.07032	56.0
107.04946	5.6
107.08605	36.2
109.06521	5.0
109.10146	15.4
114.13849	2.7
115.05448	4.4
117.07028	12.1
119.08587	41.5
121.06536	3.9
121.10104	16.5
125.09631	10.2
128.06186	7.6
129.07016	15.1
130.07793	3.3
131.08554	28.5
133.06471	4.8
133.10129	38.3
135.04410	3.3
135.11690	11.3
137.09529	3.5
141.06941	5.9
142.07779	7.1
143.08554	18.0
144.09351	4.3
145.10086	20.2
147.04395	4.5
147.08075	3.7
147.11673	27.0
149.05957	3.7
149.13280	23.2
153.06918	3.9
154.07768	3.3
155.08519	15.0
156.09360	5.2
157.10117	22.5
159.08037	5.1
159.11699	38.5
161.05894	6.8
161.09653	5.1
161.13261	100.0
162.14027	16.7
163.07500	4.0
165.07002	3.5
167.07141	4.0
167.08566	7.6
168.09329	4.3
169.10158	14.7
171.08038	8.3
171.11632	7.0
173.05949	5.0
173.09595	3.6
173.13268	11.9
175.07510	4.3
175.11192	5.4
175.14713	3.9
177.09068	3.4
179.08508	4.8
181.10097	9.7
183.11700	16.3
185.06042	2.9
185.09651	5.3
185.13240	11.5
187.07607	13.5
187.11218	4.0
189.09131	3.4
192.09372	3.5
193.10089	6.6
194.10924	3.1
195.11667	8.5
197.09435	2.9
197.13246	7.2
199.07533	4.4
199.11153	13.0
199.14908	3.4
201.09116	4.8
201.12747	8.8
203.10709	3.2
203.33492	2.9
205.10077	3.2
206.10806	3.3
207.11696	5.5
209.09514	3.1
209.13266	6.4
211.07370	4.5
211.11215	4.8
213.12744	3.5
215.14302	2.7
219.11647	4.8
220.12616	3.3
221.13266	8.4
223.14777	6.2
226.09990	2.9
227.10681	18.5
229.12282	15.7
233.13266	5.6
235.14731	7.1
239.10667	4.7
241.12234	3.8
245.11626	5.6
253.12233	5.0
253.15776	3.0
261.16348	3.3
263.14258	4.5
267.13840	3.5
269.15381	8.4
275.17825	4.9
281.15393	6.5
289.15808	3.1
303.21118	5.8
307.16840	8.4
319.20599	3.1
321.18582	3.9
325.18048	4.7
331.20416	4.2
333.25800	3.9
343.24164	5.8
345.25723	4.2
361.25375	16.8
368.93140	3.1
371.23761	8.2
389.24756	56.9
390.24625	3.2
407.25858	26.9
449.26819	7.4
467.27753	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01528	4.1
53.03940	11.6
55.01862	13.2
55.05514	24.2
57.03419	9.1
57.07050	4.8
61.02904	15.1
67.05506	30.8
68.99789	21.0
69.03080	4.8
69.03426	53.6
69.07048	15.5
70.06567	3.1
70.75886	11.2
71.04979	9.2
73.02900	5.2
79.05505	34.4
81.03416	35.8
81.07059	100.0
83.04993	16.2
83.05432	3.5
83.08602	10.6
85.02905	55.8
85.06535	5.2
87.00838	30.2
91.05482	36.5
93.07040	58.4
95.04951	34.0
95.08601	66.1
97.02900	33.2
97.06530	21.4
97.10173	5.7
99.04447	10.4
103.03945	5.1
105.01829	10.7
105.07028	98.5
107.04935	11.4
107.08597	91.4
108.35572	3.2
109.02862	27.6
109.06499	14.4
109.10150	30.7
111.04439	11.1
113.02347	4.0
115.03889	6.2
117.06986	17.3
119.08583	67.3
121.06515	13.9
121.10154	42.9
123.04420	11.4
123.08044	15.6
123.11688	10.1
125.05987	6.1
125.09636	4.7
127.03928	51.0
127.14722	3.5
128.06223	5.7
129.01863	23.5
129.06975	13.4
130.07829	4.8
131.08583	34.5
133.06456	3.9
133.10138	32.4
135.08043	9.8
135.11694	27.4
137.09612	6.9
138.69423	3.5
139.03795	3.6
141.06973	5.2
141.66389	3.3
142.07767	8.2
143.08572	19.2
145.04971	6.3
145.06334	3.6
145.10118	56.0
147.02867	12.2
147.08022	9.4
147.11696	26.4
147.89143	3.3
149.06010	4.5
149.09630	10.1
149.13200	7.6
151.07526	7.3
151.11177	4.6
155.08519	9.5
156.09308	6.6
157.10101	27.7
159.02890	7.0
159.08031	5.7
159.11705	60.3
161.09579	11.8
161.13263	99.1
163.03883	6.4
163.11165	15.6
163.14812	89.2
165.06906	3.7
167.08473	4.4
169.10152	9.9
171.02881	6.9
171.11642	12.7
173.04466	7.2
173.09610	6.4
173.13254	18.6
175.11189	11.3
175.14828	9.6
177.12733	10.7
177.16409	6.4
183.11670	10.1
185.13280	12.5
187.11163	6.2
187.14842	11.2
189.03917	5.9
189.12695	4.5
189.16367	15.8
191.17949	23.2
195.11697	6.4
197.09500	4.2
197.13280	3.8
199.14838	18.9
201.12762	6.9
201.16374	58.2
202.16660	3.9
203.14308	14.0
203.17990	5.1
205.10176	3.9
205.15878	4.9
211.14891	7.1
213.12810	4.1
213.16402	12.1
215.14346	4.5
215.17918	5.3
217.15839	25.7
219.17445	34.4
223.14890	3.5
225.12511	3.1
225.16422	5.7
229.15833	11.2
231.04997	3.6
231.17482	7.5
235.16852	4.5
241.15840	5.5
243.17415	10.6
247.16818	6.1
251.14351	5.1
255.17511	3.6
259.09790	4.7
281.18912	4.4
287.16071	3.7
309.18478	9.2
327.19507	11.6
381.22534	3.7
391.17578	3.5
396.85071	3.5
409.18655	6.7
427.95081	3.7
431.20734	5.7
449.21671	15.1
467.22510	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	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
53.48589	2.9
55.01862	13.2
55.05505	18.3
57.03422	10.8
58.53901	3.2
61.02935	18.7
62.78740	2.8
67.05500	43.1
67.86547	2.9
68.27930	3.1
68.99773	13.8
69.03428	54.0
69.07064	19.4
70.06580	5.4
71.01351	4.0
71.04971	9.1
71.63789	5.5
73.02914	8.1
79.05495	27.7
81.03416	45.1
81.07059	75.9
83.08637	7.0
85.02903	81.0
87.00831	27.7
88.45519	2.9
91.03942	4.1
91.05479	24.9
93.07043	42.9
95.04970	44.9
95.08603	77.1
95.25678	3.4
97.02889	40.7
97.06528	35.1
97.10175	4.4
99.04460	18.4
103.05550	3.3
105.01843	17.0
105.07026	56.8
107.04944	7.5
107.08588	46.7
109.02879	36.7
109.06511	18.3
109.10155	52.3
111.04424	8.6
111.08085	4.0
113.06068	3.2
115.03931	4.7
117.01765	4.4
117.06992	8.8
119.08575	43.4
121.06505	10.4
121.10146	27.2
123.04411	3.9
123.08082	14.3
123.11701	13.4
125.09623	5.7
127.03919	74.6
128.06215	5.1
129.01843	9.5
129.06992	7.6
131.08582	19.2
133.06479	4.8
133.10109	24.7
135.11702	17.9
137.05948	6.3
137.09607	38.8
141.06973	4.1
143.08514	9.1
145.02792	3.7
145.04904	15.8
145.10138	24.3
147.02864	9.1
147.07954	7.3
147.11662	17.3
149.09584	21.9
149.13297	6.6
151.07567	4.7
155.08545	6.1
157.10097	9.7
157.81654	3.5
159.02902	13.2
159.08054	6.7
159.11703	22.7
161.09575	10.8
161.13258	100.0
163.03917	9.5
163.14839	20.1
165.12732	5.2
167.07028	8.0
169.10150	6.9
171.11696	9.8
173.02333	9.5
173.04480	8.5
173.13246	5.8
175.11150	5.3
175.14883	5.6
183.11749	4.8
185.13261	9.8
187.11195	5.5
187.14885	6.7
189.09117	3.7
189.16356	7.2
191.14331	9.3
191.17928	14.4
197.13251	4.8
199.11145	5.4
199.14757	6.6
201.12787	7.9
201.16379	40.9
203.14336	13.5
203.17967	42.3
207.13802	4.0
213.03874	7.3
213.12854	5.8
213.16315	6.8
215.07016	17.1
215.14217	5.3
217.15828	10.3
219.17456	49.2
225.16328	4.7
231.04961	10.3
231.13716	9.8
231.17419	11.7
243.17371	6.3
259.09650	30.0
261.18503	4.8
273.18665	4.1
275.09134	6.1
287.20099	36.3
309.18378	6.8
327.19568	7.1
431.20950	4.1
449.21661	12.3
460.09964	3.7
467.22375	16.9
467.27011	10.4
468.21866	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	467.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24556	0.4
53.03942	0.5
55.95206	0.4
56.44585	0.4
63.14308	0.4
69.03413	1.2
70.06583	1.4
70.21928	1.8
70.22351	0.8
72.08159	0.7
72.86956	0.4
81.03407	0.9
81.07036	1.0
83.04988	0.4
83.08604	0.9
84.08130	0.5
85.02887	1.6
85.73434	0.5
86.09704	0.7
91.05447	0.7
94.35856	0.4
95.04955	0.9
95.08586	0.7
97.02886	2.9
105.06991	0.5
107.08555	0.6
109.02887	0.9
119.04929	0.9
119.08565	0.7
120.08156	0.6
126.09161	0.7
127.03938	0.9
134.42542	0.4
135.08069	0.7
136.07603	0.6
137.05962	0.9
143.01860	0.5
144.23912	0.5
147.04393	3.0
157.10216	0.9
161.03027	0.5
169.09679	4.1
171.05074	3.3
171.11766	0.7
173.09514	0.5
187.10777	1.7
189.06030	0.6
211.04512	0.7
231.12294	0.5
261.13409	1.2
279.14395	12.2
280.14624	0.7
287.12018	1.3
289.11755	0.5
297.15466	5.9
305.12280	4.0
305.15439	0.6
313.13956	1.4
317.11432	1.8
323.13388	11.5
324.13419	0.5
328.13870	0.6
329.12354	1.3
347.13422	12.7
348.13705	0.8
365.14487	10.3
366.15002	0.5
388.15988	1.4
421.79196	0.4
449.17654	2.6
467.18817	100.0
468.19290	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	466.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.07069	6.8
58.06582	1.9
65.03906	2.3
67.05473	0.5
69.07065	0.6
70.06585	14.6
70.17447	0.9
70.17817	2.5
71.08629	2.8
72.08112	0.6
79.01820	0.5
79.05480	0.8
80.87122	0.5
85.10183	1.0
88.07624	18.1
102.08531	1.0
102.09170	12.9
119.08564	0.7
121.02820	1.2
122.18440	0.5
132.10249	0.6
139.03915	1.5
140.17487	0.5
146.11769	0.7
149.02335	55.5
149.03389	2.7
150.02658	1.0
193.04948	55.1
194.05258	1.0
212.23763	0.7
237.07550	62.0
238.07872	1.0
238.44125	0.6
256.26331	45.6
257.26654	1.2
260.14798	0.5
266.46664	0.5
300.28952	2.4
308.49271	0.5
316.84012	0.5
428.74323	0.5
466.31610	100.0
467.32019	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.8
55.01858	8.7
55.05499	12.1
57.03422	9.4
67.05492	18.2
69.03419	19.3
70.06584	16.3
71.04981	12.1
71.10449	7.7
71.10803	18.4
72.08154	11.6
73.02901	7.1
74.45492	6.0
75.04479	11.4
79.05492	26.2
81.03439	7.4
81.07066	41.2
83.04958	9.0
84.08133	13.2
85.02907	43.2
85.06543	17.6
86.09687	8.4
91.05466	29.4
93.07052	45.4
95.04957	25.0
95.08588	33.8
95.36220	6.2
97.02882	18.8
97.06506	8.3
105.07021	61.1
107.04903	8.1
107.08598	36.4
109.06510	14.0
109.10150	9.3
110.62045	6.5
111.04414	7.8
111.08088	7.4
117.07013	21.1
119.04963	9.1
119.08594	50.2
120.08060	13.6
121.06461	11.5
121.10104	15.3
123.08042	15.0
125.02379	11.5
127.03919	13.4
129.10257	7.0
131.08588	30.9
133.06470	8.9
133.10106	36.8
133.81143	6.2
135.08035	8.4
135.11659	8.4
137.05984	9.1
137.09579	9.0
141.06976	9.1
142.07777	18.8
143.08542	13.7
145.06392	5.9
145.10083	42.2
147.04398	11.4
147.11665	27.6
149.09613	11.7
149.13261	7.7
151.03877	26.4
153.09061	8.0
154.04933	8.0
157.10106	39.7
158.10753	5.9
159.08128	11.3
159.11700	85.1
161.13194	16.4
169.10150	6.2
171.11754	8.4
173.09622	13.0
173.13301	14.1
175.11180	65.3
177.09145	8.5
177.12766	19.0
187.14796	30.1
193.12265	11.1
195.13660	6.9
197.13284	17.7
205.15790	7.5
207.13814	8.8
209.15421	6.3
215.14278	43.1
233.15343	100.0
251.16409	44.5
303.04962	13.1
304.05225	19.8
340.99500	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	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34354	2.9
53.03922	3.7
55.05509	5.1
56.96564	8.1
57.03413	4.9
60.59815	3.1
67.05501	13.0
69.03412	12.0
69.69726	28.9
70.06583	13.5
71.04984	5.3
72.08166	6.6
75.04473	4.2
76.04022	3.9
79.05470	6.5
81.03410	8.3
81.07059	16.7
83.04975	8.3
84.04437	4.3
84.08144	5.0
85.02903	24.2
85.06518	3.6
85.65636	3.3
87.04458	4.2
89.73653	3.4
91.05471	14.0
93.07067	16.1
94.21262	4.2
95.04967	11.9
95.08595	19.3
95.32261	3.5
97.02863	9.4
97.06546	6.6
105.07024	30.6
107.08589	14.5
109.02840	5.4
109.06521	7.2
109.10165	3.9
117.07001	10.2
119.08576	20.0
120.08060	7.4
121.06541	4.3
121.10159	8.3
123.08097	5.4
125.02375	7.2
127.03894	12.1
127.16676	3.3
129.10182	4.3
131.08540	14.6
133.10129	8.3
135.08073	5.2
135.11650	4.3
136.07524	3.7
137.02357	4.9
137.05968	23.8
139.03963	8.3
145.10114	15.6
147.04401	7.4
147.11679	12.1
149.09605	6.8
157.10117	28.2
157.31921	3.3
159.11655	33.4
160.39452	3.0
161.13248	5.1
163.11148	4.7
171.11650	6.9
173.09673	6.1
173.13261	9.6
175.11159	24.8
177.12698	5.7
187.14864	8.6
197.13277	5.9
215.14282	23.2
233.15323	30.3
251.16425	14.9
279.14401	14.0
297.15396	11.5
303.04944	13.0
303.08545	5.5
304.05420	33.5
304.12787	3.7
305.12332	5.9
321.10138	12.0
323.13379	14.6
339.11111	23.8
347.13339	11.8
363.11349	3.7
365.14789	8.2
439.62534	4.2
467.18845	100.0
483.15485	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	465.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.3
67.05502	47.8
69.07063	32.0
71.62880	7.1
73.53297	3.2
79.05482	32.3
81.06585	7.3
81.07050	98.8
83.08593	12.7
84.28710	3.5
89.60403	3.7
91.05473	34.7
93.07040	53.0
95.04945	7.3
95.08607	96.9
97.10155	5.6
105.07032	66.0
107.08590	100.0
109.10144	65.4
117.07015	11.5
119.08586	64.7
121.10127	56.1
123.11693	24.2
129.06996	7.5
131.08562	27.0
133.10104	42.1
133.93459	3.9
135.11685	30.9
137.13268	6.1
142.07739	6.9
143.08525	14.6
145.10100	51.0
147.11688	53.3
149.13260	30.9
157.10103	29.2
159.11690	47.4
161.13268	34.2
163.14830	20.0
169.10127	11.9
171.11714	19.8
173.13280	27.1
175.14816	19.0
183.11690	10.4
185.13260	11.3
187.14818	20.5
189.16396	21.0
197.13255	9.2
199.14842	19.4
201.16397	40.3
203.17950	29.9
205.19446	6.7
211.14877	9.7
213.16411	23.7
215.17911	17.6
217.19533	5.4
225.16359	8.1
227.17918	16.6
229.19629	8.0
239.18016	8.0
241.19514	19.7
243.21011	7.7
253.19545	9.3
255.21011	14.4
257.22745	5.5
267.21097	9.0
269.22720	9.4
281.22699	8.1
283.24115	3.9
295.24237	7.9
303.04974	4.7
307.24442	4.0
323.27371	5.4
335.27362	6.1
338.28790	4.4
349.29047	4.5
363.30621	9.0
364.89142	4.4
405.35159	62.7
465.30923	8.0
465.37259	88.4
466.37646	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	465.3
Annotation	Dihydrocochloxanthin
Peak:m/z	Relative Intensity
51.77588	2.6
53.03942	7.5
55.05502	12.7
57.07076	3.3
60.17906	2.7
62.76896	2.4
63.17085	2.4
65.03918	4.4
67.05506	38.2
69.03420	3.0
69.07063	12.5
71.04977	5.8
71.63067	4.4
75.59258	2.4
79.05495	29.4
81.03407	2.8
81.07056	59.0
82.07381	3.3
83.08615	7.8
85.06531	10.4
91.05472	40.1
93.07040	59.4
95.04948	6.3
95.08611	48.4
97.06522	9.2
99.08078	3.3
103.05487	5.0
105.07025	75.1
107.04985	3.4
107.08603	59.9
109.06506	4.4
109.10165	28.4
111.08093	4.4
111.11787	2.9
115.05437	4.9
117.07008	18.4
119.08584	58.9
121.06532	6.0
121.10125	27.2
123.08049	5.3
123.11706	8.1
128.06209	17.3
128.90436	2.9
129.07021	18.4
130.07784	3.5
131.08571	48.5
133.06465	4.9
133.10130	37.8
133.64426	2.5
135.08107	5.5
135.11667	13.9
141.06973	7.7
142.07784	15.5
143.08551	51.9
144.09329	5.4
145.06467	5.4
145.10118	63.1
147.08060	2.9
147.11693	21.3
149.05978	3.3
149.13220	6.6
152.06189	3.4
153.07056	5.3
155.08549	19.7
156.09334	8.4
157.08951	4.4
157.10136	53.0
159.08063	6.6
159.11687	55.1
161.09637	5.6
161.13232	17.6
163.11188	12.4
165.07143	4.4
167.08565	5.1
168.09348	11.5
169.10146	29.4
171.08067	3.6
171.11682	29.2
173.09645	7.3
173.11981	3.3
173.13290	19.6
175.07516	3.4
175.11182	12.1
175.14838	4.3
180.09323	3.7
181.10165	14.5
182.10835	4.8
183.11703	35.6
184.12427	4.0
185.09613	4.0
185.13263	20.4
187.07567	9.5
187.11217	11.5
187.14845	12.4
189.09164	4.7
189.12692	3.8
189.16269	4.0
193.10149	6.2
194.10902	3.5
195.11620	12.9
196.12328	2.8
197.13243	20.2
199.11206	7.4
199.14815	35.1
201.09232	3.7
201.12819	14.7
201.16368	34.4
203.10722	10.2
203.14355	2.8
205.10190	3.4
207.11691	7.3
209.13213	13.5
211.11223	8.7
211.14828	10.0
213.16342	15.7
215.10738	3.0
215.14366	5.9
217.15919	16.1
219.11671	8.7
219.13745	5.4
219.17497	8.0
221.13322	7.3
223.11266	3.8
223.14807	5.4
225.16524	3.9
227.10686	8.3
227.14427	4.8
227.18002	3.4
229.12247	43.9
229.15770	4.9
231.13875	6.3
231.17448	6.7
233.13298	5.5
235.14842	6.8
237.16411	6.9
239.14249	3.1
239.17909	3.5
243.13835	4.1
247.13229	5.7
249.16469	5.6
251.17903	4.3
267.17361	3.4
271.17007	3.4
277.19272	3.3
293.19199	3.6
303.04984	5.9
305.22729	2.9
307.16949	5.2
343.24252	6.3
361.25220	5.3
383.27493	6.6
389.24634	6.9
391.29935	4.5
401.28296	19.8
407.25827	19.2
411.26733	5.9
417.27567	3.2
419.29376	25.6
429.27963	22.9
435.28931	3.6
437.30518	6.7
447.28958	89.6
448.29062	5.8
465.29971	100.0
465.36215	6.3
466.30341	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	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.1
55.01865	7.8
55.05507	37.2
57.03438	13.3
57.07077	4.1
62.32928	2.5
65.03931	4.6
67.05502	100.0
69.03436	6.1
69.07065	30.2
69.09428	2.5
69.29201	11.9
69.29626	23.0
71.04987	10.1
71.08606	3.8
79.05492	90.9
81.03412	13.9
81.07055	76.3
83.04978	29.2
83.08615	9.8
85.02916	7.1
85.06547	8.4
87.61959	3.1
91.05479	83.1
93.07043	83.6
94.07407	5.3
95.04969	63.4
95.08601	32.4
97.06551	20.1
97.10161	10.1
105.07024	44.6
107.04970	19.7
107.08595	61.3
108.08936	3.9
109.06517	18.7
109.10159	20.2
111.04478	7.2
111.08077	4.3
113.06032	3.1
115.05413	4.4
117.07022	12.1
118.11766	2.5
119.08572	31.6
120.21426	2.6
121.06533	6.0
121.10136	21.6
123.11690	5.8
125.09599	6.2
128.22731	2.8
129.07004	11.8
131.08557	16.7
133.10129	33.9
135.08063	15.6
135.11676	61.7
136.12039	4.3
137.09637	3.7
142.07793	6.6
143.08546	3.4
143.52736	3.2
145.10124	18.4
147.11729	21.7
149.09627	10.6
151.11203	19.7
153.12814	4.0
157.10138	14.2
159.11816	3.7
163.11186	17.9
165.12778	14.5
167.07051	3.9
170.07228	3.8
175.11203	18.9
181.12245	14.3
193.12257	24.1
211.13235	14.7
225.12875	3.2
231.10112	4.6
250.13300	3.4
255.15915	11.1
257.96973	3.0
267.15894	13.8
303.04834	17.3
327.23444	3.2
355.22403	4.6
373.23712	7.3
373.38419	3.0
396.35712	3.4
447.27606	9.6
465.28397	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	2.7
55.05498	1.2
56.60034	0.5
57.03430	2.3
57.30382	0.4
61.02643	0.6
61.02926	7.5
67.05486	1.2
68.99780	1.8
69.03424	9.0
69.07067	0.8
69.26772	0.5
70.06594	0.5
70.07164	0.7
70.07573	1.8
71.04979	1.7
73.02921	3.2
76.94269	0.5
79.05499	1.7
81.03416	9.3
81.07040	3.3
83.01329	0.6
85.02898	17.5
86.09683	1.3
86.73853	0.4
87.00819	4.7
91.03944	2.4
91.05447	2.5
93.03349	0.7
93.07047	3.2
95.04946	1.8
95.08611	2.3
97.02885	8.9
98.21526	0.5
99.04471	2.8
103.03982	0.5
105.01865	2.5
105.07021	5.7
107.04960	0.7
107.08575	2.5
109.02873	9.0
109.06516	1.0
109.08842	0.5
111.00797	1.0
111.04463	0.8
115.03945	1.1
115.05370	0.6
117.01840	0.7
117.07026	3.3
119.08582	3.9
120.08099	1.6
121.02859	1.2
121.10125	1.3
123.04404	1.1
123.08095	0.6
127.03908	10.0
128.06229	1.4
129.01813	0.5
129.06973	2.0
130.07733	0.6
131.08571	3.4
133.06441	0.5
133.10126	1.8
135.04506	0.5
137.02335	4.5
141.06929	1.1
142.07780	5.7
143.08554	5.0
144.09340	1.2
145.04958	4.2
145.06525	0.7
145.10095	5.0
147.02916	0.8
147.11723	1.0
149.02396	0.5
153.01813	5.9
155.08533	2.1
156.09314	1.9
157.10129	10.5
158.10980	0.5
159.02878	3.5
159.11693	12.0
161.05981	0.6
161.13242	1.1
163.03943	1.2
165.01817	2.5
169.10101	2.4
170.10931	0.9
171.11670	3.5
173.05956	0.8
173.09567	0.7
173.13225	1.7
175.11230	0.5
179.08630	0.6
181.10007	0.9
182.10840	0.7
183.02933	1.1
183.04398	0.8
183.11664	1.0
184.12401	0.6
185.09596	0.9
185.13214	1.1
187.03932	0.5
187.14838	1.4
189.09158	0.6
189.16374	1.1
193.08627	0.8
195.11693	0.8
197.13203	1.6
199.14799	13.0
201.05479	2.1
201.12798	1.0
201.16414	3.6
209.13351	0.5
211.14658	0.6
213.12698	0.6
215.10544	0.7
215.14262	2.5
217.04897	0.5
217.15829	5.4
219.06581	0.6
223.14879	0.9
227.14456	0.9
228.04051	0.7
229.04944	5.5
229.15889	0.7
231.04965	1.2
257.04477	3.5
274.04681	0.7
285.03928	1.6
285.07379	0.5
287.16647	0.6
303.04977	100.0
304.05304	6.3
307.16989	0.8
315.04996	0.9
325.18011	0.6
345.06104	0.6
369.06079	0.8
379.21014	0.8
404.11435	0.5
407.16772	0.5
429.19482	0.6
447.20309	1.3
454.12912	0.5
465.21347	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.01857	7.9
55.05494	4.2
57.03438	8.1
57.03662	1.5
61.02908	6.7
61.24379	1.5
67.05492	5.9
68.99783	4.6
69.03423	36.6
69.07050	5.5
70.06580	3.0
71.04976	6.6
71.41855	3.1
71.42212	1.7
72.08140	2.1
73.02907	9.5
73.08041	1.6
79.05476	6.3
81.02963	3.1
81.03410	37.7
81.07044	15.1
83.04996	1.9
84.08152	1.7
85.02895	60.3
86.09704	3.8
87.00819	21.8
87.04472	2.3
91.05461	12.2
93.07040	17.1
95.04942	6.3
95.08593	8.3
97.02886	27.9
97.06537	1.7
99.04449	15.9
103.03892	2.8
105.01864	12.0
105.07019	27.2
107.08576	11.7
109.02872	35.5
109.06539	2.6
109.10134	4.6
111.04453	3.0
115.03909	5.1
115.05465	2.4
117.01829	3.2
117.07011	10.4
119.08570	17.1
120.08102	4.9
121.02866	1.9
121.06535	2.2
121.10140	7.6
123.08057	2.7
127.02950	2.8
127.03900	47.9
128.06200	6.6
129.01826	4.8
129.06961	11.6
131.08549	19.2
133.10123	7.4
137.02338	4.8
137.05898	1.8
137.09506	2.1
141.06987	3.9
142.07774	18.5
143.08548	28.3
144.09311	6.6
145.04945	13.5
145.05917	1.9
145.06439	1.6
145.10107	22.6
147.02893	3.3
147.11650	6.6
153.01846	3.7
155.08534	7.6
156.09308	8.2
157.10114	52.3
158.10825	3.5
159.02878	14.0
159.08038	2.8
159.11676	62.5
161.09659	2.1
161.13220	5.6
163.03952	2.2
165.01871	2.7
167.08516	3.1
169.10040	11.3
169.33875	1.6
170.10828	1.9
171.11678	14.2
173.09668	2.9
173.13220	7.3
175.11166	1.8
175.14917	2.1
179.08400	2.1
181.10065	4.3
182.11020	2.4
183.11595	4.2
184.12428	2.9
185.13245	7.0
187.11223	2.4
187.14761	9.4
189.16324	4.4
195.11687	4.8
197.13240	7.5
199.14806	60.1
200.15135	2.1
201.12717	4.3
201.16382	15.1
203.14293	2.4
209.13214	2.8
211.14738	4.2
213.03973	2.8
213.12798	3.2
215.14354	14.1
217.15848	29.8
223.14742	3.5
227.14267	4.7
229.05046	5.6
229.15784	3.9
231.04964	5.4
241.16000	3.9
243.13533	2.0
247.10629	1.7
251.14160	2.1
257.04492	2.4
259.04718	2.1
259.16943	4.2
265.15646	2.0
269.15594	1.9
281.73987	1.8
285.04199	1.9
303.04977	100.0
304.05249	6.2
325.17819	3.8
357.15631	1.8
391.17194	2.6
407.17093	5.1
429.18277	2.7
447.19962	6.0
465.21381	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	465.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.70526	0.2
55.01854	0.6
57.03432	0.9
61.02922	1.6
64.33773	0.2
65.03918	0.4
66.67079	0.2
68.99780	0.8
69.03426	3.0
70.12938	1.0
71.04974	0.2
73.02911	0.4
81.03425	1.7
85.02899	9.6
87.04449	0.3
91.03928	0.7
93.03418	0.2
95.04990	0.3
97.02887	3.9
99.04450	0.6
109.02865	1.4
111.00797	1.4
121.02841	1.1
123.04396	0.4
127.03898	2.1
129.34279	0.2
135.04393	0.2
137.02325	4.0
145.04938	1.6
145.06093	0.2
145.06334	0.2
147.04370	0.2
149.02310	0.4
153.01810	4.5
153.02966	0.4
153.12836	0.2
154.01945	0.2
161.05948	0.6
163.03883	1.1
165.01830	2.1
166.02621	0.3
168.06375	0.2
173.05974	0.6
177.01733	0.2
177.05496	0.2
183.02853	0.8
183.04333	0.3
187.03888	0.5
191.03319	0.3
195.02916	0.3
201.05450	2.3
205.05013	0.3
207.10175	0.2
213.05486	0.2
219.02831	0.2
219.06555	0.3
228.04260	0.4
229.04956	4.7
239.03314	0.2
247.05995	0.9
257.04440	3.3
258.04922	0.3
260.17902	0.2
274.04694	1.0
275.05359	0.3
285.03952	1.3
303.04971	100.0
304.05286	3.1
315.04980	0.6
345.06125	0.4
429.08197	0.2
465.09857	0.2
487.88141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.09356	0.3
55.97819	0.2
57.03416	0.5
57.93398	0.2
61.02926	6.0
68.99793	0.6
69.03416	1.0
70.31669	0.5
70.32092	0.8
73.02906	1.3
81.03401	0.6
85.02899	4.6
90.80460	0.2
91.03957	3.3
94.31066	0.2
96.11217	0.2
97.02890	2.2
99.04420	0.3
99.36803	0.2
100.67601	0.3
109.02872	0.9
111.00806	0.7
115.03881	0.4
119.07788	0.2
121.02858	0.9
123.04517	0.3
127.03897	1.0
137.02338	3.1
137.05974	1.2
145.04935	0.6
149.02354	0.3
153.01819	4.0
155.04916	0.4
163.03841	0.4
165.01840	1.8
166.02663	0.3
173.05945	0.4
183.02875	0.8
187.03868	0.5
201.05482	1.6
217.72180	0.3
219.06435	0.4
221.04932	0.3
229.04953	4.0
238.38766	0.2
239.03404	0.3
247.05997	0.7
257.04428	2.9
274.04736	0.4
285.03949	1.2
303.04980	100.0
304.05344	2.9
369.05994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03944	0.6
55.01867	0.5
57.03421	1.3
61.02928	1.7
68.99772	0.9
69.03429	3.5
70.05289	0.5
70.05685	1.0
71.04980	0.4
72.94273	0.3
73.02914	0.4
79.13439	0.4
81.03404	1.5
85.02901	8.9
91.03953	0.5
95.04976	0.5
97.02886	3.4
99.04442	0.6
109.02863	1.5
111.00787	0.9
121.02837	1.1
127.03912	1.4
135.04369	0.4
137.02345	3.3
145.04919	1.1
149.02310	0.4
153.01807	4.6
155.04956	0.5
162.46855	0.4
163.03952	0.9
165.01842	2.3
173.05945	0.8
181.84227	0.3
183.02948	1.1
187.03926	0.3
191.87579	0.3
195.02930	0.3
201.05453	2.5
213.18286	0.4
219.06590	0.4
229.04948	5.3
247.05896	0.6
254.11160	0.4
257.04425	3.0
274.04727	0.5
285.04022	1.6
303.04984	100.0
304.05298	4.9
325.65912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01858	0.6
55.05513	0.3
57.03426	0.7
61.02924	2.4
68.99789	0.4
69.03429	2.9
69.92990	2.1
70.06570	0.6
71.01336	0.3
71.04973	0.5
72.08150	1.1
73.02901	0.6
79.87300	0.3
81.03413	1.8
83.98545	0.3
84.08124	0.7
84.51418	0.3
85.02895	9.7
86.09686	1.6
87.04478	0.4
89.38276	0.4
91.03955	1.0
91.05484	0.5
93.03428	0.4
95.04961	0.3
97.02882	4.6
98.21381	0.5
99.04456	0.5
103.80560	0.4
109.02881	1.5
111.00772	1.2
113.69305	0.4
114.91488	0.4
120.08093	0.5
121.02851	1.1
127.03914	2.5
131.04813	0.3
133.06409	0.5
133.35316	0.3
137.02330	4.2
137.05984	0.5
142.98543	0.4
145.04961	1.8
148.07553	0.4
149.02332	0.8
153.01807	4.9
161.05951	1.6
163.03889	0.8
165.01790	2.0
179.51892	0.3
180.77666	0.4
183.02835	1.0
183.04286	0.5
187.03793	0.3
188.59607	0.3
189.09122	0.7
195.02899	0.4
201.05457	2.4
207.10133	1.3
229.04935	5.5
247.06029	0.8
257.04474	3.0
274.04742	0.8
285.03748	1.8
303.04974	100.0
304.05304	3.9
315.04953	1.2
345.05991	0.7
419.45178	0.4
428.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58660	4.5
70.99765	12.6
71.00712	4.4
76.88089	4.5
79.05495	4.7
105.07036	21.9
121.31296	4.6
133.06493	16.1
165.09164	11.8
184.42474	4.4
193.08588	100.0
218.87712	4.0
245.75301	4.4
313.05511	4.6
462.69150	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	464.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53620	9.8
55.05512	10.4
63.87838	10.3
66.44681	10.2
67.05496	27.8
70.77190	10.8
71.64885	18.8
79.05476	26.0
81.07036	18.9
83.05003	10.3
83.08564	9.8
87.32387	8.8
91.05467	24.5
93.07037	19.2
95.04942	15.5
105.07030	31.7
107.08621	12.2
117.06989	12.9
133.06531	22.2
149.13171	11.0
151.07610	12.3
165.09131	15.4
193.08577	100.0
197.27872	9.8
241.02953	10.9
296.75555	10.6
336.89682	11.4
345.04581	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	464.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01865	0.8
57.03422	2.0
59.42950	0.6
61.02922	4.0
67.05480	0.6
69.03072	0.7
69.03431	12.9
70.06587	1.6
70.17921	2.8
71.04980	1.9
72.08155	0.8
73.02898	2.1
81.03412	4.5
81.07067	0.7
83.04987	1.3
84.04525	0.7
84.08148	1.8
85.02416	1.1
85.02904	18.6
85.03419	0.9
85.47365	0.6
86.09723	0.9
87.04455	2.7
91.03940	1.2
91.05485	3.1
95.04965	1.2
97.02888	12.1
98.03224	2.2
98.21487	0.9
99.04446	1.6
105.06975	0.6
107.04940	3.4
109.02869	3.0
109.06451	0.9
115.05448	7.6
119.04044	0.6
119.04958	2.3
121.06515	0.9
123.04424	53.4
124.04736	0.7
127.03928	4.1
131.04942	2.4
135.04424	0.7
137.05972	11.2
143.04921	25.7
144.05472	0.6
145.04893	0.8
145.06581	1.1
147.04411	1.5
149.06044	0.7
151.07527	3.4
160.05255	3.0
161.05975	5.0
163.03944	0.9
163.06293	9.6
163.07547	1.2
165.05441	0.8
175.07550	25.0
176.08257	1.6
178.08624	99.4
179.08586	3.2
189.06902	0.7
207.08061	4.9
225.09120	4.3
235.07521	3.4
249.14857	0.9
253.08575	5.7
267.15802	1.0
270.08926	1.5
285.11200	29.9
302.13837	39.2
302.83929	0.7
303.04843	1.3
303.14142	1.4
394.83246	0.7
455.87683	0.6
464.19089	100.0
465.19446	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	464.1918
Annotation	Naamidine B
Peak:m/z	Relative Intensity
53.03934	0.9
55.01879	0.8
56.53105	0.6
57.03426	1.5
58.06596	0.6
58.85039	0.5
60.04520	0.6
61.02913	1.6
66.50487	0.6
67.05498	1.1
69.03430	5.1
70.06590	5.1
71.04986	1.3
71.63351	0.5
71.63744	1.0
72.08148	0.9
75.04449	0.9
79.05485	1.9
81.03416	3.1
81.07045	1.1
84.04525	0.6
84.08131	1.4
85.02901	9.3
86.09681	0.9
87.04476	0.9
91.05489	1.7
93.07035	1.2
95.04951	2.2
97.02894	5.3
99.04454	0.9
103.05456	1.3
105.07022	0.9
107.04954	100.0
108.05289	1.1
109.02877	1.3
111.90713	0.5
117.07036	1.1
119.04922	1.2
121.02879	1.6
121.06506	10.6
123.04417	1.0
127.03938	2.6
129.05481	0.7
129.10316	0.6
131.04922	13.6
133.02875	1.1
135.04396	1.3
137.02336	1.3
137.05997	2.4
145.05150	0.8
145.06482	10.2
147.04411	4.9
147.06497	0.7
151.03937	0.6
153.01804	0.9
153.05469	12.6
153.06737	0.8
155.06029	1.0
157.10107	1.2
159.04414	23.6
160.05257	0.6
161.05965	0.6
163.03889	1.5
163.07613	1.1
165.05670	0.7
165.07072	0.9
167.07050	2.2
175.07616	0.9
175.11253	0.6
176.04694	1.4
177.05499	1.5
178.08694	0.9
179.05684	1.1
179.07031	3.3
179.08598	1.9
181.06464	1.0
183.08093	1.4
191.07030	9.9
194.08102	5.6
197.06044	0.8
197.09616	1.6
207.08058	4.1
210.06834	1.2
215.13947	1.0
218.08159	1.6
225.09077	8.6
229.05083	1.1
231.10405	0.7
231.13800	0.7
235.07614	1.8
244.17682	0.6
246.07834	0.9
249.14833	1.3
253.08588	20.2
254.09232	1.7
255.06615	1.2
257.04544	0.8
267.12189	0.8
269.08133	0.9
270.08929	1.0
285.11206	38.7
286.11627	0.9
302.13867	64.8
303.04996	21.4
303.14279	2.1
390.37827	0.6
464.19214	85.6
465.19620	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.85432	3.4
55.05500	13.4
57.07081	33.1
58.52130	3.4
62.44149	3.6
64.42482	4.5
67.05500	7.4
69.07072	29.0
69.37905	15.6
69.38340	23.0
71.08629	23.6
79.05494	6.8
80.30807	4.1
81.07059	22.8
83.08626	14.7
85.10179	12.2
91.05449	6.6
91.71066	3.6
93.07037	7.2
93.76668	3.8
95.08606	22.4
97.10151	14.0
105.07014	6.2
107.08571	5.4
109.06490	11.2
109.10133	10.8
111.11738	8.2
111.30913	4.1
118.39314	4.1
119.08567	10.0
123.08058	8.8
125.05975	13.7
127.07562	40.3
133.10132	5.0
137.06035	6.4
139.07538	100.0
145.11853	3.7
147.11720	5.5
149.05945	5.0
149.09659	4.9
151.07520	8.3
163.07368	4.3
167.07063	4.7
177.09084	12.3
253.44870	4.1
319.29999	15.7
347.33038	16.8
399.36215	4.7
403.35291	3.8
417.37460	19.2
427.35800	6.5
445.36890	51.9
463.37881	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	463.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01858	8.3
55.05513	18.4
57.03431	7.1
57.07064	2.7
60.21933	2.6
62.62208	2.3
65.03917	3.1
67.05504	81.3
69.03416	8.4
69.07067	19.8
70.06593	2.5
70.64542	3.2
70.64906	7.8
71.04974	10.7
79.05492	41.8
81.03419	100.0
81.07056	64.7
83.04983	17.9
83.08617	23.6
85.02908	4.9
85.06531	6.7
89.29414	2.4
91.05486	65.1
93.07046	35.7
95.04962	30.1
95.08598	12.0
97.02892	5.3
97.06522	14.5
97.10152	3.3
99.04469	6.0
105.07029	55.2
107.04964	11.6
107.08601	44.2
109.02904	4.8
109.06521	10.7
109.10158	75.1
111.08071	6.9
115.05412	3.0
117.07023	11.3
119.08572	18.1
121.06518	7.7
121.10145	8.3
123.04467	3.0
123.08057	7.3
123.11693	12.5
125.09626	4.2
127.03922	3.5
129.06996	10.8
131.08568	16.5
133.06551	4.2
133.10132	82.2
135.04469	3.6
135.08084	3.5
135.11711	12.4
137.05977	3.6
137.09573	3.1
142.07758	4.3
143.08569	2.7
143.61685	2.3
145.10101	8.0
147.08075	5.5
147.11650	7.7
149.09607	4.8
151.11183	51.5
157.10129	8.6
159.11636	3.0
161.09677	4.6
163.03902	11.5
163.11197	9.0
169.12250	11.3
171.11729	2.3
175.07521	2.7
175.11186	8.1
179.10625	4.5
189.08951	3.3
191.03395	10.3
191.14201	2.6
193.12253	38.4
215.12767	4.5
227.12833	16.1
229.14375	2.6
249.14677	3.3
250.38414	2.6
253.14389	39.3
267.44238	2.6
273.03876	12.6
301.07010	9.0
339.28165	2.8
371.22198	5.2
445.25714	12.8
463.20868	3.4
463.26797	65.1
464.26825	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	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.4
57.07077	31.3
64.15805	1.8
67.05491	7.5
69.07075	25.7
69.33955	7.5
69.34383	11.0
71.08631	26.1
73.34800	1.8
79.05498	5.9
81.07058	18.8
83.08615	16.0
85.10178	17.1
91.05479	3.2
93.07035	7.3
95.08630	16.7
97.06510	3.8
97.10157	9.9
98.20808	4.0
99.04475	4.4
105.07032	6.0
107.08584	5.7
109.06495	11.1
109.10155	9.4
111.11713	8.7
119.08601	5.0
121.06441	2.3
121.10146	3.3
123.08056	10.7
123.11669	3.9
124.81747	1.7
125.05988	17.2
127.06631	2.1
127.07561	37.6
131.08578	2.4
133.10100	4.1
135.08144	1.9
135.11729	1.8
137.05969	5.0
137.09575	2.4
139.07542	100.0
147.11702	2.5
149.05956	4.8
149.09575	2.1
151.07538	6.6
153.09102	2.3
159.11758	1.9
163.07516	3.0
165.09103	2.6
167.07072	4.7
173.26991	1.7
175.11261	2.2
177.09109	14.5
297.77643	1.7
301.28720	2.8
319.29993	9.0
347.33139	12.3
373.31088	4.9
403.35233	2.0
417.37433	15.4
445.36780	35.8
446.37363	3.2
463.37836	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05501	41.8
57.07061	36.9
67.05492	34.0
69.07059	60.2
69.97241	100.0
71.65160	15.9
79.05478	32.8
80.80590	14.8
81.07061	95.6
83.08626	45.8
85.10176	21.4
91.05489	29.8
93.07061	41.7
95.08597	66.1
97.06499	14.5
97.10165	37.2
102.94381	15.2
105.07025	47.3
107.08594	36.2
109.10132	33.4
111.11715	25.4
116.04105	17.4
119.08566	31.9
120.27201	13.8
121.10117	42.9
123.11688	24.6
133.10126	29.6
135.11627	20.3
145.10074	23.8
147.11673	26.6
159.11769	24.8
161.13210	27.8
173.13290	26.8
226.47659	15.7
427.35544	44.9
445.36694	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28514	0.8
53.03949	6.6
55.01872	6.0
59.04976	2.1
59.43365	0.9
69.03417	2.2
70.78909	2.5
71.04989	10.7
79.05508	1.0
80.05001	1.4
82.06570	1.3
85.02901	1.2
87.04454	3.3
91.05504	0.8
94.06587	2.0
106.06550	5.4
108.04476	8.6
108.08108	1.2
109.02835	0.7
110.06039	3.2
115.03931	0.9
117.42420	0.7
118.06533	0.8
120.08114	1.3
122.06028	2.2
124.07611	1.2
131.07315	1.0
132.08064	1.1
133.04968	2.5
134.06029	6.7
136.03932	1.6
141.05429	1.2
143.07327	0.8
144.08090	1.5
147.04677	0.8
148.07573	2.6
150.05518	1.9
152.07085	2.8
156.08095	1.2
158.09671	1.7
159.09164	1.7
161.07106	3.1
162.05515	16.4
162.09154	0.8
163.06277	2.0
164.07091	1.9
168.06589	2.7
168.08000	1.7
169.07553	1.8
169.08870	0.8
170.08263	3.7
170.09659	2.7
172.06316	0.9
172.09865	1.3
172.11203	2.0
173.10756	4.0
175.08629	1.0
176.07069	2.7
183.09203	2.4
184.07634	1.8
184.09862	1.8
184.11270	2.0
185.07135	1.3
185.10727	3.1
186.07745	4.7
187.06111	1.0
187.08667	8.9
187.12206	4.2
189.06558	4.6
194.08087	1.4
196.09903	0.9
197.08177	0.9
197.10741	1.5
198.09140	3.3
199.08672	3.0
200.09306	5.1
201.06609	1.7
201.10243	18.5
203.08156	11.7
203.11765	0.8
211.08554	2.1
211.12318	2.0
211.36786	0.8
212.07138	0.9
212.10863	4.4
213.06647	0.9
213.10216	9.3
214.07286	4.3
214.10841	1.6
215.08170	29.5
215.11710	15.2
223.90874	0.8
224.09410	1.0
225.10237	2.8
226.08766	1.3
226.10942	1.8
227.08043	3.8
228.08864	5.3
229.09724	35.5
229.13168	7.8
230.10156	1.0
231.11320	3.9
239.08192	1.6
239.11763	5.7
240.10172	2.0
241.09782	3.1
241.13286	1.0
242.10556	2.8
243.07683	2.9
243.11287	11.6
247.14468	2.0
252.09004	2.4
253.09795	2.3
254.10509	1.6
255.11572	0.9
256.12164	1.3
257.09235	17.3
257.12872	19.2
259.10657	1.9
267.11295	10.1
269.09201	1.5
270.10019	1.7
271.10800	9.1
275.14023	3.6
280.08536	1.3
285.12338	34.6
286.12677	0.8
295.10773	6.8
302.12689	0.9
303.13272	6.0
313.11810	80.5
314.12140	1.2
331.12888	47.8
333.18149	1.1
357.81787	0.8
361.17575	2.7
371.16086	2.6
389.17026	6.5
399.15390	4.3
401.16940	0.9
407.17905	5.0
417.16531	34.9
427.14990	1.5
435.17618	19.0
445.16086	18.4
463.17075	100.0
464.17642	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
57.03431	0.9
61.02904	1.5
62.19715	0.3
69.03428	3.1
70.22700	1.6
71.04991	0.3
73.02899	0.5
81.03403	1.2
85.02901	8.6
91.03903	0.3
95.04978	0.5
97.02885	2.6
99.04453	0.6
103.40298	0.4
107.04944	1.3
109.02831	0.5
109.89187	0.3
121.02855	2.1
124.01546	0.7
125.02311	0.5
127.03893	1.2
145.04959	1.2
147.04359	0.4
151.03871	0.8
153.69618	0.4
161.51405	0.3
162.59131	0.3
167.03397	3.6
176.32140	0.4
179.03325	1.0
190.76782	0.4
197.04372	0.4
207.06798	0.4
212.04669	0.4
224.73843	0.3
227.07004	1.6
237.80789	0.3
241.04874	0.4
245.08174	0.5
255.06598	0.5
257.04315	0.6
258.05219	6.0
259.05606	0.4
272.06836	0.8
283.05914	0.4
286.04697	4.5
301.07059	100.0
302.07416	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	463.1232
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
54.06590	0.3
57.03419	1.0
61.02907	1.3
67.10645	0.4
69.03433	2.6
70.37609	1.0
73.02914	0.6
81.03401	1.2
83.01363	0.3
85.02427	0.4
85.02905	7.6
85.03414	0.4
87.35066	0.3
87.81139	0.3
91.03944	0.6
91.29385	0.3
95.04974	0.3
97.02894	3.1
99.04430	0.7
100.07166	0.3
106.83087	0.3
107.04946	1.5
109.02854	0.7
111.87451	0.3
121.02867	2.2
123.04394	0.5
124.01556	0.5
125.02464	0.4
127.03893	1.1
133.02843	0.4
145.04968	0.9
148.51157	0.3
151.03841	0.8
167.03386	2.3
179.03375	1.1
197.04355	0.4
212.04648	0.6
227.07088	1.1
245.08185	0.7
257.04446	0.4
258.05219	6.7
272.06784	0.7
286.04645	3.4
301.07043	100.0
302.07404	3.6
335.86099	0.3
337.91235	0.3
400.53500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.5
57.03432	1.0
58.36448	0.1
61.02927	1.1
62.24242	0.1
65.03911	0.2
67.05498	0.2
68.99772	0.2
69.03427	3.2
69.07059	0.3
71.04984	0.4
73.02927	0.6
79.05472	0.2
81.03415	1.9
81.07043	0.3
83.01346	0.2
83.04970	0.2
85.02902	7.6
85.06528	0.2
87.04454	0.4
91.03962	0.3
91.05492	0.2
93.07030	0.2
95.04951	0.5
95.08597	0.3
97.02890	2.6
97.06536	0.8
98.21507	0.4
99.04459	0.4
105.03370	0.3
107.04942	1.6
107.10297	0.1
109.02893	0.9
111.04453	0.2
119.10739	0.1
121.02862	2.4
123.04425	0.4
124.01579	0.7
125.02363	0.4
127.03899	1.6
129.03215	0.1
133.02782	0.3
133.06427	0.1
134.03629	0.2
135.04407	0.2
135.11687	0.1
137.05934	0.6
141.05403	0.2
145.04948	1.1
145.10178	0.1
147.04384	0.6
151.03896	0.7
154.57149	0.1
163.03860	0.6
167.01970	0.2
167.03401	2.9
169.06387	0.1
179.03377	1.1
184.05231	0.3
189.09116	0.5
191.03404	0.4
197.04446	0.6
197.06035	0.2
199.07646	0.3
203.10651	0.3
212.04683	0.5
217.08540	0.2
227.07021	1.1
230.05852	0.2
233.11702	0.2
237.40543	0.1
241.05081	0.3
245.08098	0.5
255.06470	0.5
257.04413	0.6
258.05215	6.7
259.05569	0.2
261.11261	0.2
271.05838	0.1
272.06732	0.8
273.03940	0.6
273.07535	0.5
283.05899	0.2
286.01511	0.2
286.04700	4.6
300.06329	0.2
301.07050	100.0
302.07397	3.5
313.06915	0.3
331.08127	0.2
392.90002	0.1
463.32501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.77708	0.1
53.03950	0.5
55.01876	0.5
57.03435	0.8
59.04964	0.1
61.02645	0.1
61.02927	1.4
65.03931	0.1
67.05489	0.2
69.03425	3.0
71.04967	0.4
73.02911	0.5
79.05486	0.2
81.02982	0.1
81.03418	1.8
83.01336	0.2
85.02902	8.3
85.06505	0.1
87.04455	0.3
91.03942	0.4
91.05480	0.2
93.07021	0.1
95.04948	0.4
95.08599	0.2
97.02885	2.7
97.06518	0.5
98.21709	0.1
99.04458	0.6
105.03378	0.3
107.04952	1.7
108.39843	0.1
109.02887	0.9
109.10122	0.1
111.04438	0.3
118.04185	0.1
119.08598	0.1
121.02869	2.6
122.03088	0.1
123.04414	0.4
124.01593	0.6
125.02393	0.4
127.03912	1.3
129.06975	0.1
133.02834	0.3
134.03624	0.3
135.04420	0.2
137.02325	0.1
137.05945	0.3
139.03987	0.1
141.05421	0.2
145.02823	0.1
145.04962	1.0
147.04372	0.4
151.03888	0.9
159.08020	0.1
163.03828	0.2
167.03403	3.0
171.07974	0.1
179.03419	1.0
184.05122	0.2
189.09148	0.2
191.03378	0.3
197.04408	0.5
197.05946	0.1
199.07526	0.3
203.06731	0.1
203.10573	0.2
212.04681	0.6
213.05344	0.1
227.07050	1.2
233.11693	0.1
239.07150	0.1
240.04060	0.1
241.04941	0.2
245.08090	0.6
255.06567	0.5
257.04520	0.5
257.08112	0.1
258.05237	6.7
266.09125	0.1
272.06757	0.6
273.04089	0.3
273.07559	0.4
283.05893	0.2
286.04718	4.7
287.05188	0.2
299.05704	0.1
300.06403	0.1
301.07053	100.0
302.07404	3.5
313.06952	0.2
343.08051	0.2
463.11795	0.1
463.21902	0.1
463.32483	1.0
469.94717	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.9
55.05511	3.6
57.03437	2.9
60.04514	1.7
61.02932	3.6
67.27450	1.8
69.03424	14.9
70.06584	8.3
71.02008	4.0
71.02382	3.8
71.04996	3.2
72.08142	2.8
79.05484	3.8
81.03423	2.2
81.07069	2.8
83.04948	2.7
84.04503	2.7
84.08152	3.1
84.51909	2.1
85.02904	18.9
86.09705	5.7
89.06024	7.9
91.05465	4.8
93.07055	3.7
95.04976	5.6
95.08595	3.6
97.02911	12.6
99.04452	3.1
99.98245	1.9
105.07045	8.7
107.04947	17.8
107.08592	3.5
109.02866	3.5
109.06514	5.7
109.10197	2.5
111.04463	2.7
119.08591	8.1
121.06551	3.9
121.10123	2.5
123.08110	4.3
127.03928	5.4
131.08582	6.0
133.02066	1.8
133.08635	2.5
133.10162	3.9
134.10379	1.8
135.08046	8.0
137.05940	3.9
141.06958	2.3
143.04919	2.8
143.08536	3.5
145.10124	4.7
147.08067	4.4
151.07614	2.5
157.10136	3.8
158.07294	2.5
159.08093	4.6
159.11700	6.1
161.09645	5.2
165.09073	3.0
170.09570	2.2
171.08057	1.9
171.54236	1.9
173.09772	2.0
173.13219	2.9
175.07558	10.0
175.11211	4.2
175.12788	1.8
183.11707	3.5
185.09616	2.3
187.11250	4.5
189.09067	2.1
189.12796	2.2
198.12790	3.3
199.11305	3.7
201.12820	4.5
202.06395	3.2
203.10675	3.5
211.11179	3.0
217.12285	2.4
223.07318	2.1
226.12268	2.8
229.12236	4.7
240.10333	3.6
247.13351	22.9
254.11812	7.7
255.12578	8.8
256.13397	12.6
265.14386	72.8
269.11798	3.7
283.17590	5.7
284.16397	3.4
300.12613	3.6
300.15924	49.2
462.21252	100.0
463.21387	3.2
480.37003	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	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01874	15.0
55.05506	10.4
57.03429	10.6
61.02919	13.8
67.05489	18.7
69.03430	29.9
70.06602	25.0
71.03217	12.3
71.03554	6.6
71.04981	17.3
72.08156	16.9
73.02916	15.0
76.07635	6.6
79.05499	28.4
79.26243	4.9
81.03413	9.8
81.07075	32.5
83.04999	9.6
84.04492	11.0
84.08141	6.9
85.02910	48.3
85.06567	10.9
86.09710	19.0
91.05463	43.7
93.07039	25.0
95.04967	11.4
95.08603	14.1
95.58450	4.7
97.02892	19.6
97.06492	8.9
99.04440	17.9
99.08071	5.6
101.07082	5.8
105.07038	100.0
105.07715	3.8
107.04964	10.6
107.08595	44.7
109.02881	15.1
109.06512	12.2
110.07140	5.2
115.05418	9.0
117.07003	23.6
119.08575	40.4
121.06493	13.8
121.10139	12.0
123.08060	10.2
125.09630	9.0
127.03938	26.8
128.06229	13.9
129.06987	19.6
129.10245	6.0
130.06516	7.3
131.08574	80.3
133.06503	7.8
133.10120	72.4
135.08093	17.2
141.06973	7.1
142.07759	21.1
143.08577	50.0
145.05058	7.6
145.06439	13.8
145.10104	33.4
147.08028	13.4
147.11699	46.3
149.06117	5.0
149.09645	8.5
151.11111	7.0
153.05544	5.1
153.07057	6.5
153.09142	12.2
155.08563	14.5
157.10139	33.8
159.08084	29.6
159.09209	6.7
159.11699	47.5
161.09610	42.3
163.03857	5.9
163.07510	7.3
167.08652	4.9
168.09363	11.0
169.10092	6.9
171.08070	9.1
173.09650	10.5
173.13280	34.5
175.11176	36.9
177.09155	11.6
183.11717	43.5
187.11176	40.1
189.09117	36.2
189.12679	6.0
195.10056	5.9
199.11220	7.4
201.12767	53.7
205.12210	10.3
207.10184	33.0
207.13782	5.4
211.11111	6.9
214.12334	6.4
215.10635	8.5
217.12227	35.5
219.13815	24.2
229.12259	47.5
233.11629	6.3
243.31696	5.6
247.13271	43.1
249.11252	8.0
254.11737	9.4
255.12595	8.5
256.13330	11.4
265.14395	15.6
283.15445	86.7
300.15897	39.6
303.05130	6.2
444.21692	6.2
462.21304	88.5
463.21259	7.1
475.28894	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	462.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01871	1.1
55.05503	0.8
55.59927	0.6
55.86646	0.7
56.05030	1.1
57.03432	0.6
61.83036	0.6
67.05502	1.7
68.05012	1.2
69.03442	3.7
69.04553	1.2
69.07047	0.6
70.06586	2.5
70.84567	1.2
70.84941	1.4
71.04980	1.8
73.02923	1.3
79.05476	2.2
80.04993	0.9
81.03419	1.7
81.04539	2.5
81.07043	2.5
81.85355	0.7
82.05320	4.7
83.04990	0.7
83.06105	6.7
84.08150	0.9
85.02897	3.2
85.06530	0.7
86.09679	0.6
91.05478	5.3
93.04520	2.7
93.07024	3.3
95.04969	1.4
95.06088	14.8
95.08587	1.7
96.06871	2.5
97.02882	2.3
97.06554	0.7
97.07616	0.7
103.05479	0.9
105.07037	13.1
107.04906	0.9
107.06084	1.9
107.08598	2.5
108.05650	0.8
109.02884	0.9
109.06409	4.9
109.07629	0.9
109.10213	0.6
110.07165	27.0
112.08734	0.9
115.05466	1.1
117.07005	4.0
119.08562	4.7
122.07151	4.2
123.07956	2.8
124.08722	2.6
127.03924	1.5
128.06221	3.5
129.07001	5.5
130.07805	1.5
130.08723	0.7
131.08566	8.1
132.04401	0.7
133.06525	0.9
133.07620	1.5
133.10135	2.4
134.07143	0.9
135.08049	1.3
136.05043	3.8
137.05946	1.0
141.07016	0.9
142.07774	7.4
143.08560	11.5
144.09279	0.8
145.06479	2.0
145.07625	1.7
145.10112	7.1
146.07207	1.3
147.08009	1.6
147.09097	0.8
147.11678	0.8
154.06091	1.0
155.08534	2.1
156.07692	2.9
156.09309	0.7
157.10124	17.3
159.08043	2.6
159.11668	3.7
160.08742	1.8
161.09639	1.2
164.08235	0.9
168.09349	2.5
169.10152	2.2
171.08073	0.8
171.11732	0.9
173.09526	1.0
173.13274	2.2
174.10272	1.0
175.11206	3.0
183.11691	4.8
185.13258	9.7
187.11198	1.9
188.08202	0.8
189.09081	1.4
191.08362	1.6
198.12807	0.7
201.12790	2.8
203.38715	0.7
206.09297	4.4
211.10988	0.9
213.13866	0.9
229.12143	4.1
232.10797	1.5
247.13345	0.7
252.10201	1.0
256.13394	2.0
257.12714	0.9
281.11942	0.7
283.12357	1.7
286.15582	3.4
295.14810	0.9
300.15967	6.9
309.16061	1.0
311.17584	0.8
312.17398	1.0
312.20676	0.8
321.16071	1.1
323.17392	1.3
329.18576	4.9
338.18671	9.4
339.17279	0.8
340.20184	0.8
341.18619	1.8
345.18167	1.4
346.17346	0.8
356.19666	17.9
357.18240	1.3
358.21320	0.9
371.19891	1.1
374.20929	0.9
384.19208	8.4
389.20761	1.7
398.20712	17.0
399.20584	0.9
400.22333	1.0
401.20721	2.2
402.20224	6.3
416.21817	31.7
416.27466	1.5
417.21741	1.4
418.23483	2.1
444.21301	45.3
445.21600	2.0
462.22287	100.0
463.22705	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	462.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01855	1.6
55.02118	0.4
55.05505	0.6
67.05492	1.0
68.05020	1.4
69.03432	2.2
69.07030	0.6
70.06584	1.5
71.04976	1.3
71.63990	0.7
72.08127	0.4
73.02910	0.9
74.07750	0.4
79.05497	1.8
81.03435	0.8
81.04546	3.9
81.07065	2.8
82.05334	2.3
83.04980	1.3
83.06103	9.7
84.04516	0.7
85.02901	2.4
86.09704	1.0
91.05470	5.3
93.04517	1.2
93.07044	2.4
95.05001	1.0
95.06088	12.3
95.08614	1.1
96.06863	4.4
97.02885	1.0
97.06506	0.5
99.04458	0.4
103.05453	0.9
105.07027	8.4
105.07670	0.8
107.06036	0.8
107.08620	2.2
109.02881	0.9
109.06487	0.7
109.07651	1.4
109.10165	1.2
110.07162	16.3
111.05575	0.7
112.08727	3.9
115.05486	0.9
117.07024	3.0
119.04924	0.4
119.08575	3.8
120.08076	0.4
121.06499	1.3
121.07629	0.6
122.07026	0.5
123.05619	0.5
123.08038	0.5
124.08718	0.6
127.03883	0.8
128.06209	1.5
129.07008	2.6
130.07767	1.1
130.76184	0.5
131.08554	5.4
133.06503	1.2
133.07608	0.8
133.10129	2.7
135.05537	0.5
135.08031	1.2
137.06000	1.0
137.09615	1.3
141.07019	1.0
142.07742	2.4
143.08578	4.9
143.77991	0.4
144.09344	0.6
145.06546	1.2
145.10139	4.2
147.08043	1.1
147.09158	0.8
147.11685	1.0
149.09618	0.6
149.10739	0.5
151.11208	0.6
153.06854	0.6
154.07475	0.6
154.42027	0.4
155.08525	1.3
156.07693	4.8
156.09163	0.6
157.10101	5.3
159.08055	1.1
159.09238	0.7
159.11700	2.3
161.05927	0.5
161.07191	0.7
161.09634	0.8
163.03885	0.4
164.08154	0.5
165.09103	1.2
168.09407	1.4
170.09589	0.6
170.10878	0.5
171.08022	0.7
171.11722	1.0
173.09586	0.7
173.13222	0.8
175.11215	1.6
177.05376	1.0
177.09216	0.6
178.07407	1.4
179.08228	0.9
181.10146	1.0
182.09314	0.9
183.11722	2.2
185.10860	0.5
185.13277	1.6
187.07460	0.5
187.11197	1.6
189.09123	1.0
190.09628	0.5
199.11102	0.7
201.12697	2.3
207.07675	0.8
207.10234	0.5
213.09308	0.4
213.13795	0.6
215.10689	0.5
217.12198	1.1
219.13872	0.6
224.52695	0.4
229.12253	1.6
240.10297	0.9
247.13292	0.8
254.11855	1.1
255.12529	0.7
256.13330	1.9
257.13074	0.5
259.14478	1.0
265.08633	0.8
270.11026	0.5
287.05536	0.6
300.15982	6.0
302.19604	0.4
303.04840	0.5
309.15845	0.6
311.17596	0.7
313.12228	0.7
329.18631	5.5
340.20020	0.6
341.18823	0.4
345.17993	3.4
356.19720	1.5
358.21310	0.9
371.19742	0.6
382.44107	0.4
384.19327	1.1
389.20605	2.8
392.18082	1.0
393.96683	0.5
398.20703	0.9
402.20215	3.9
416.21777	1.9
417.20496	0.6
418.23584	0.9
420.21503	0.6
433.57291	0.5
444.21173	4.6
445.16025	0.6
462.22293	100.0
463.16513	0.9
463.22623	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	462.2122
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
55.01878	1.4
55.05507	0.9
57.03450	3.5
58.06604	0.8
61.02920	4.6
62.36666	0.7
67.05519	0.8
69.03429	11.0
69.07061	1.2
69.50472	0.7
70.06591	5.6
71.01389	0.7
71.04995	1.6
71.62705	1.3
73.02921	3.9
76.08284	0.7
79.05484	2.0
81.03429	2.6
81.07047	1.1
83.08635	0.6
84.08150	0.9
85.02900	15.5
85.03375	1.2
91.03957	1.6
91.05484	2.0
93.07051	1.3
95.04990	1.2
95.06075	1.3
97.02888	3.2
97.06547	3.7
99.04466	1.5
101.02383	2.0
105.07061	1.5
109.02924	1.1
110.07171	1.3
115.05482	0.7
119.04974	0.9
119.81205	0.7
121.10174	1.0
123.04425	0.9
127.03922	3.7
129.05513	1.0
131.08606	1.4
133.06514	0.9
135.04407	0.9
135.08095	0.9
137.06003	5.1
145.06570	0.7
149.06093	0.8
157.10184	0.7
159.08095	1.1
163.03979	0.8
163.07506	0.8
163.69305	0.7
165.05492	1.9
170.09680	2.6
173.09692	1.0
175.07497	0.8
184.11272	1.8
185.12021	2.5
187.03903	1.1
187.07611	1.0
187.42844	0.8
189.09065	3.4
191.08467	1.0
198.12769	5.8
199.09996	1.1
200.14342	1.0
201.07889	1.0
202.06290	2.9
203.07172	1.5
207.10205	4.2
209.09628	0.8
210.12776	0.8
212.10710	1.1
214.12257	1.4
215.10797	1.2
221.09668	1.1
226.08690	3.3
226.12193	5.1
227.09468	2.8
227.13011	1.7
228.10239	0.9
228.13866	2.4
229.14752	0.9
230.15298	0.9
231.10231	2.4
233.11681	7.7
237.09094	1.6
239.09662	1.4
240.10193	7.3
242.15494	0.9
251.12842	4.2
253.11034	1.4
254.11757	12.4
255.12578	11.6
256.13324	24.7
257.13867	1.0
265.08481	4.1
268.13351	1.6
269.14081	1.2
270.11353	3.1
271.12140	2.3
272.16458	1.1
282.14822	3.8
284.16531	3.1
292.55130	0.8
298.14456	1.0
300.15933	57.5
301.16461	1.8
377.16034	1.4
416.21927	0.9
444.21564	1.8
445.16550	2.9
462.21396	100.0
463.21637	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	462.2122
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
51.02365	0.5
53.03942	0.8
55.01872	0.6
57.03428	1.7
58.06582	0.5
60.04522	0.5
61.02942	2.2
69.03426	7.2
70.06592	1.9
70.42302	1.0
70.42695	0.9
70.81911	0.3
71.04990	1.0
71.40782	0.5
71.96365	0.4
72.08125	0.6
73.02903	1.6
73.89816	0.4
78.35733	0.4
79.05484	1.0
81.03438	2.1
81.07056	0.5
84.04544	0.4
84.08155	0.6
85.02905	9.9
86.09700	0.8
87.04458	1.0
91.05484	1.3
93.05779	0.4
93.07021	0.9
95.04973	1.9
95.08607	0.5
97.02883	6.4
99.04441	1.1
101.02383	0.6
103.05488	0.8
105.07034	1.3
107.04954	42.3
107.08605	0.6
109.02891	1.5
109.06512	0.4
111.04413	0.6
115.05453	2.3
117.06975	0.9
117.21428	0.5
119.04957	1.3
119.08553	0.6
121.06502	3.3
123.08089	0.8
127.03919	2.9
127.25627	0.4
128.35945	0.5
131.04913	2.1
131.08594	0.6
133.06480	1.6
135.08051	1.0
137.05963	5.5
137.06912	0.5
143.04915	5.2
145.06468	4.3
145.10178	0.5
147.04451	0.9
147.08052	1.3
149.06027	0.9
151.07564	1.7
155.08458	0.6
157.10107	0.7
160.05200	2.3
163.03931	0.5
163.07549	1.9
167.08604	0.5
169.10188	0.5
174.06775	0.5
175.07542	9.7
178.08606	1.1
179.08549	1.0
180.10312	0.5
182.07301	1.3
185.12090	0.9
191.08658	0.8
192.10210	3.3
194.07219	0.7
197.09653	4.0
198.12857	1.0
202.06230	1.0
203.10649	0.5
209.09631	4.2
211.11218	1.0
214.12308	0.5
217.12396	0.6
219.08052	1.2
225.09094	2.1
226.12292	0.9
227.13100	0.5
228.13821	0.5
229.12199	0.9
231.10068	0.7
237.09116	6.0
239.10820	0.6
240.10289	1.5
247.13321	0.9
254.09334	1.0
254.11801	1.7
255.12622	2.1
256.13358	4.2
257.11755	1.7
265.14328	4.5
268.13419	0.5
269.11710	14.7
270.12119	1.1
271.12354	0.5
282.14914	0.5
283.59802	0.5
284.16528	0.7
300.12726	1.4
300.15933	34.7
301.16296	1.0
311.19724	0.5
462.21255	100.0
463.21713	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	462.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05520	1.0
57.03424	0.9
63.70679	0.8
67.05502	0.9
69.03423	3.8
69.85849	0.9
71.16843	1.9
79.05478	3.6
81.03429	1.3
81.07039	1.0
83.64901	1.0
85.02912	5.8
85.90631	0.9
86.09730	1.2
89.03896	2.5
89.47562	0.9
91.05469	9.0
93.07045	3.5
95.04966	2.9
97.02889	1.5
97.06533	7.6
102.04675	1.3
103.05479	4.3
105.07024	4.0
107.04974	3.7
109.02890	1.4
110.07146	1.1
115.05440	1.6
117.03368	1.4
119.04956	9.0
121.06506	5.0
122.03671	2.3
127.03928	2.0
128.06200	1.0
130.04152	2.2
131.04930	3.4
133.02904	5.6
133.06483	2.1
133.10126	1.7
135.04413	15.5
137.05968	32.0
145.02820	2.0
145.04886	0.9
147.04414	10.0
149.05986	10.0
150.06758	18.1
151.03923	1.7
151.07487	1.4
153.06912	1.2
161.05998	6.1
161.09663	1.3
162.06747	3.8
163.03883	10.2
163.07634	1.7
165.05486	4.4
165.07033	2.9
166.07788	3.4
167.06955	1.1
175.07445	1.8
177.05623	1.2
177.07028	4.1
178.07779	11.5
179.08566	1.1
183.08093	1.4
189.09117	2.4
190.07817	1.8
191.03366	11.4
191.07086	1.5
194.07248	21.6
195.08046	4.1
204.09305	1.0
205.06544	2.5
206.07346	4.3
207.08199	1.9
207.10164	3.8
208.08859	2.2
209.09621	25.0
215.10664	2.2
218.07280	1.6
219.08015	3.0
220.08797	1.6
221.09625	16.6
222.06718	4.9
233.11696	9.7
234.06706	8.6
235.11137	1.6
237.09096	42.0
238.09674	2.7
247.07520	3.2
248.08372	1.7
249.09108	28.7
250.06236	3.6
250.09859	3.3
251.10634	2.0
251.12910	2.0
258.14984	0.9
263.10703	1.7
265.08588	100.0
266.08908	4.5
267.10272	2.8
273.03922	15.7
275.10492	1.9
277.08563	11.7
279.10162	3.3
291.10376	1.1
303.10178	1.6
307.09570	2.9
313.11444	0.9
328.37134	1.1
334.09744	1.0
349.12067	1.8
359.14905	1.0
367.32898	1.0
369.14691	1.1
377.11697	1.6
377.15826	6.0
395.12646	1.4
408.57910	1.0
415.15399	35.5
416.16031	1.7
427.15424	10.1
445.16473	60.2
446.16568	2.7
462.22141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3626
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05502	30.6
57.07071	38.7
67.05498	14.9
69.07060	47.9
71.08629	27.8
79.05480	19.4
81.07057	57.2
83.08614	21.9
85.10188	27.5
91.05483	13.7
93.07054	36.1
94.11631	6.8
95.08601	44.2
97.10180	21.1
105.07042	40.6
107.04943	39.5
107.08596	28.1
109.06493	18.5
109.10154	30.5
119.08570	23.9
121.06476	10.5
121.10162	14.4
123.11731	11.6
129.06990	12.6
131.08578	21.4
133.06468	11.0
133.10158	27.5
135.11690	13.4
143.08542	22.3
145.10155	25.4
147.08041	14.1
147.11685	17.1
149.09589	7.2
151.07574	8.4
157.10114	19.8
158.74330	6.9
159.11685	21.6
161.09590	11.7
161.13249	11.1
169.08629	10.9
169.10089	11.0
171.08049	14.1
173.13142	8.5
183.11737	10.9
185.13272	15.0
187.14745	8.3
189.09007	12.1
199.14780	8.3
201.16222	7.5
213.19238	8.7
217.12097	10.0
271.16931	8.4
285.18579	9.5
299.20050	8.6
301.28824	15.3
343.30023	23.0
383.32980	10.2
397.34299	8.4
401.34116	11.5
403.32108	14.9
407.33121	12.3
425.34146	85.3
443.35272	100.0
461.36215	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.05491	15.5
57.07077	6.9
67.05213	5.0
67.05509	47.1
69.07067	94.2
71.63067	9.6
79.05485	29.8
81.03418	10.7
81.07063	59.0
83.08616	13.1
85.06520	16.1
91.05484	52.9
92.05874	5.3
93.07040	65.2
95.04958	8.5
95.08613	85.2
95.38594	5.3
97.06544	6.6
97.10168	7.8
98.38071	4.4
105.07027	78.6
107.08585	46.0
109.06493	11.3
109.10164	24.5
111.08028	5.7
115.05446	6.3
117.07015	29.6
119.08605	37.0
121.06498	6.0
121.10130	40.1
123.08034	6.8
123.11798	4.8
125.09647	6.1
128.06184	5.2
129.06984	20.8
131.08575	57.8
133.10132	100.0
135.08064	11.8
135.11661	30.9
137.09602	4.8
139.07527	16.5
141.07034	5.5
142.07790	17.0
143.08537	18.6
145.10135	46.3
147.11697	20.9
149.09618	12.4
149.13264	13.6
151.11113	4.9
155.08537	18.8
157.10139	58.1
159.08165	6.2
159.11716	54.5
161.13266	18.7
163.11142	6.2
163.14822	15.5
165.07004	5.6
168.09337	4.8
169.10121	17.5
171.11723	22.2
173.09615	10.3
173.13272	26.5
175.11177	60.3
177.12784	12.2
179.14180	8.1
180.09404	6.3
181.10123	11.4
183.11699	20.1
185.13196	10.9
187.14795	13.2
189.12762	22.9
190.13528	8.0
191.14319	31.8
193.12234	11.2
195.11751	23.0
197.13223	18.1
199.11348	5.7
199.14861	6.3
201.16434	5.1
207.11699	8.7
207.13817	13.0
209.13277	14.5
211.14816	14.5
213.12810	7.7
213.16391	15.2
215.14352	8.2
221.13252	5.5
223.14796	13.9
225.16341	10.7
227.17978	15.3
237.16426	9.3
239.14247	5.6
239.17938	8.2
249.16478	7.2
251.17953	84.4
253.19368	10.5
259.08548	6.0
263.17938	12.1
269.19009	60.3
273.18521	11.1
275.16003	7.2
277.19391	6.9
279.20883	5.8
281.19043	6.8
287.20105	10.3
295.24280	10.2
297.18561	22.0
309.18542	7.3
315.19495	19.4
319.24127	25.6
321.25763	13.3
323.23660	9.5
329.21152	8.7
337.25250	32.8
341.24628	9.9
347.22385	39.9
365.24734	47.6
383.25821	32.3
397.27295	9.7
415.28226	17.9
425.27228	5.6
443.27972	17.5
461.28912	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37376	4.5
55.05497	12.7
58.44268	4.4
60.75367	4.8
61.92284	4.5
67.05510	9.4
69.03432	4.3
69.07055	12.6
70.07761	26.8
70.08092	5.6
79.05509	5.6
81.03449	6.7
81.07059	14.7
83.08593	6.0
85.01367	4.4
85.02898	17.0
87.00810	5.7
91.05463	5.1
93.07035	10.3
95.08610	37.9
97.02883	9.1
99.08102	18.8
105.01886	8.9
105.06968	4.9
107.08604	30.9
109.10150	8.8
111.08064	11.7
121.10129	51.9
125.09643	8.4
127.03906	11.8
127.12705	4.6
135.11673	9.4
137.13219	6.3
169.48143	4.3
177.16374	100.0
195.17456	28.3
213.18460	40.3
218.41998	5.3
243.02197	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.05487	19.2
67.05492	55.8
69.07060	84.7
71.64517	11.5
79.05497	55.6
81.03416	19.7
81.07065	61.8
83.08604	14.5
85.06551	8.9
91.05490	54.8
93.07044	83.4
95.04961	12.3
95.08616	100.0
105.06998	65.2
107.08591	49.5
109.10137	29.2
117.07013	17.9
119.08574	36.9
121.06509	9.7
121.10155	32.9
123.11737	10.6
129.07027	18.5
131.08577	43.3
133.10136	78.5
135.07996	11.9
135.11661	25.1
137.09634	8.8
139.07518	19.9
142.07779	19.7
143.08571	23.0
145.10120	35.1
147.08017	10.4
147.11714	21.5
149.09593	11.4
149.13358	7.4
155.08522	20.0
157.10144	55.1
159.11633	44.0
161.13263	19.3
163.11179	8.7
163.14793	19.0
169.10133	26.4
171.11673	21.1
173.13182	11.0
175.11183	51.3
177.12669	8.7
183.11621	12.1
185.13181	14.3
189.12787	17.8
191.14267	26.8
195.11670	25.6
198.25839	9.3
201.16383	8.6
207.13734	16.3
209.13303	19.9
211.14897	14.0
213.16322	14.6
215.14420	13.4
223.14841	17.5
225.16275	15.1
227.17903	17.9
236.41568	7.6
236.45067	8.0
237.16171	9.0
239.17888	10.5
251.17975	60.8
269.19022	51.0
297.18466	21.4
319.24237	25.3
321.25656	14.0
328.07733	9.1
337.25323	24.0
341.24881	18.5
347.22290	27.8
365.24646	34.9
366.72836	8.5
383.25763	23.6
390.74426	8.5
415.28079	13.8
443.27811	16.7
461.28964	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98836	3.0
53.03939	9.8
55.01865	13.1
55.05510	25.9
57.03432	12.2
57.07082	3.9
61.02918	7.8
64.11585	2.7
67.05492	15.4
68.99773	4.3
69.03078	4.5
69.03429	53.7
69.07067	49.7
69.45676	23.1
70.06586	4.3
71.04986	10.9
73.02906	10.0
79.05489	10.1
80.70702	2.7
81.03419	47.8
81.07065	33.2
83.04974	10.8
83.08621	10.9
84.08137	3.2
85.02905	78.4
85.06540	14.4
86.09713	13.9
87.00832	28.8
91.05479	6.6
92.69801	2.4
93.07044	20.4
95.04936	4.5
95.08612	44.1
95.32850	2.9
97.02889	25.2
97.06537	11.7
97.10164	11.6
98.37704	3.0
99.04485	16.7
99.08092	40.2
105.01851	22.8
105.07033	7.8
107.08589	35.5
109.02875	41.0
109.06506	4.1
109.10153	17.8
111.08072	11.2
111.11729	7.6
113.09636	12.9
119.08563	7.8
121.10138	51.3
123.11709	9.7
125.09613	11.4
127.03916	68.2
129.01839	7.2
129.06996	2.7
131.08524	3.3
133.10088	3.8
135.11676	16.5
137.05962	3.5
137.13246	13.7
139.11159	4.8
142.07703	4.6
145.04932	23.4
147.02890	2.6
147.11646	3.0
149.13281	6.0
151.14816	3.0
153.12770	17.6
157.10138	3.8
159.02878	25.6
163.03835	2.9
167.07104	7.1
177.16379	100.0
178.16670	2.9
178.65460	3.2
189.03978	3.1
195.17439	65.9
213.18495	62.0
231.05029	11.0
254.11467	2.9
461.23746	10.1
461.30518	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.6
67.05503	7.4
69.03413	8.6
69.07058	11.4
69.88759	15.8
71.04996	3.8
78.72872	3.0
78.88520	3.0
79.05484	4.9
81.07049	25.1
83.08601	7.3
85.02903	15.5
85.06525	4.9
87.00835	5.1
91.05470	5.1
91.34064	3.0
93.07030	17.0
95.08598	32.2
97.02883	5.0
99.08106	5.8
103.46126	3.6
105.01852	4.5
107.08592	27.8
109.10160	10.9
121.10140	49.3
121.23432	3.2
125.09640	17.9
127.03955	6.0
133.10115	3.6
135.11681	12.4
137.13274	20.6
138.39185	3.1
142.63086	3.3
149.13249	7.6
151.07567	3.3
167.14339	3.8
177.16379	100.0
195.17427	34.9
202.94019	2.8
205.41025	3.1
213.18535	15.5
228.96384	3.3
265.39835	2.8
318.42706	3.4
461.20169	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	460.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.9
67.05498	43.8
69.07060	50.4
69.72241	79.9
70.55226	12.7
79.05484	46.7
81.07050	69.9
83.08613	25.0
85.06528	32.1
91.05473	70.2
93.07041	56.6
95.04938	21.5
95.08608	62.3
97.06547	15.8
97.10166	15.2
98.21413	26.2
105.07015	100.0
107.08582	69.3
107.15033	14.2
109.10165	38.0
117.07019	27.8
119.08592	71.8
121.10146	30.1
125.06013	35.6
129.07008	31.5
131.08554	57.2
133.10132	47.8
135.08086	14.8
135.11763	17.2
141.06985	16.2
142.07751	24.2
143.08566	38.9
145.10126	46.1
147.11725	28.0
149.13324	15.7
155.08559	30.5
157.10126	45.6
159.11693	71.3
161.13231	68.7
169.10136	28.1
171.11714	20.3
173.13303	24.1
175.11198	39.1
177.12724	21.9
179.08549	14.0
181.10091	13.6
183.11723	22.0
185.13164	22.5
193.12221	12.0
195.11691	21.8
197.13226	26.0
205.12303	12.5
207.11584	12.8
209.13254	22.4
211.14763	15.8
221.66380	12.7
223.14764	15.2
229.12209	23.2
249.16489	14.4
253.19872	12.3
263.17883	16.9
269.19135	15.3
279.21066	32.8
282.70419	12.8
302.68121	12.5
319.24091	33.3
337.25262	64.9
340.79312	13.1
355.26312	15.4
365.24695	42.6
383.25824	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	461.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85603	2.3
55.05492	8.4
57.03423	4.4
57.07074	3.3
67.05507	6.0
69.03412	11.9
69.07062	20.3
70.02609	11.3
79.05469	7.0
81.03408	7.7
81.07051	23.3
83.08585	8.3
85.02899	10.9
85.06519	7.7
85.12310	2.5
87.00825	4.9
91.05486	4.6
93.07047	13.1
95.08591	29.9
97.02901	6.7
97.06530	3.0
97.10121	2.6
97.75777	2.8
99.08078	12.4
105.01842	6.2
107.08588	29.4
109.02878	4.7
109.10126	10.2
111.08026	3.3
111.11673	3.2
121.10143	45.0
123.11632	3.3
125.09628	31.0
127.03876	6.8
133.10138	3.7
135.11687	12.7
137.13251	17.8
139.11206	4.7
149.13307	8.2
159.11775	2.8
177.16374	100.0
195.17448	44.5
200.01649	3.0
213.18468	35.9
237.09041	2.8
286.17255	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	460.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14318	12.3
55.05508	13.9
67.05506	32.8
68.45493	12.9
69.07062	100.0
69.65898	66.8
69.66306	29.2
79.05494	24.4
81.07053	70.5
85.06544	52.2
90.19861	11.6
91.05489	38.0
93.07033	74.4
95.08598	50.8
99.08119	13.7
100.39675	13.1
105.07026	87.5
107.08588	52.0
109.10159	30.2
117.07024	19.1
119.08578	80.8
121.10126	37.1
131.08556	47.7
133.10153	49.1
135.11673	33.5
137.36128	16.8
139.07549	43.3
143.08609	18.9
145.10143	37.0
147.11655	20.1
151.07556	16.2
155.08525	29.4
157.10110	51.3
159.11720	61.4
161.13264	58.8
169.10139	44.0
171.11707	13.9
173.13243	20.3
175.11182	33.0
177.12798	23.8
183.11700	26.9
188.96599	15.6
193.10130	17.4
195.11742	28.3
207.13724	17.0
209.13269	36.6
211.14745	24.2
223.14688	23.7
251.17911	38.5
269.18954	50.2
279.21179	20.3
281.19208	23.2
297.18509	28.2
315.19827	31.5
319.24286	21.0
325.21771	14.6
337.25131	85.7
365.24939	82.4
383.25711	18.7
485.84662	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	460.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07575	2.2
53.03926	8.3
55.01865	6.9
55.05510	6.5
57.03433	4.9
61.02920	7.5
63.54190	2.4
67.05502	12.7
69.03432	22.0
69.07054	11.4
70.06593	5.8
71.04977	5.6
71.62488	4.4
79.05500	10.8
81.03423	31.4
81.07055	12.5
83.04975	11.9
84.08188	2.6
84.20572	2.6
85.02518	2.8
85.02914	29.9
85.06524	8.0
86.09703	5.7
87.08577	3.0
91.03961	3.8
91.05500	19.7
93.07030	16.6
95.04975	9.1
95.08584	16.3
97.02901	20.4
97.06515	5.8
99.04461	4.3
99.08150	2.5
105.07035	25.2
107.04947	6.6
107.08591	24.7
109.02902	21.1
109.06514	8.0
109.10162	12.9
111.04435	6.8
115.05456	4.6
116.42815	2.2
117.07019	8.7
119.08590	24.3
119.45730	2.4
121.06499	10.9
121.10124	4.3
123.04448	6.4
123.08045	6.4
127.03921	22.1
128.06229	6.1
129.06998	11.1
131.04880	4.1
131.08574	16.6
133.06474	18.3
133.10110	16.9
134.10403	3.0
135.08061	8.6
135.11726	3.1
137.06007	5.9
141.06963	4.4
142.07787	6.0
143.08594	13.7
145.04897	2.7
145.06491	22.9
145.10124	24.1
147.04370	3.2
147.08054	11.2
147.11662	6.4
149.05971	5.5
151.07541	4.9
151.11221	3.7
156.09334	8.5
157.06479	6.1
157.10133	11.3
159.08067	15.9
159.11678	8.8
161.05994	7.2
161.09610	3.5
161.13228	4.9
163.07509	2.9
165.05518	2.6
167.03447	3.5
167.07088	3.9
169.10179	3.2
170.07159	3.2
171.08069	4.5
171.11703	22.9
173.09657	14.3
174.10399	2.8
175.07619	6.9
175.11189	11.1
176.15102	2.8
177.09129	6.2
178.07735	4.4
179.07132	4.8
179.08406	12.3
181.10120	8.8
184.08817	9.4
185.09521	3.2
187.11188	13.1
189.12755	17.1
191.06985	10.3
191.10632	9.4
199.11191	79.2
205.08643	9.3
205.12291	5.4
207.08054	5.7
215.10713	8.2
217.12245	61.1
219.10129	3.6
221.06038	3.4
221.11646	3.9
225.07568	3.3
227.10693	10.3
233.11752	7.1
235.13260	29.0
237.09071	34.3
238.08820	3.0
245.11745	48.6
249.09149	4.0
250.08620	3.9
253.11058	9.4
263.12796	100.0
266.09247	2.9
280.09686	37.7
281.11334	15.6
281.14523	13.5
443.08307	5.2
460.19708	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01870	18.1
55.05495	2.8
57.03432	7.2
57.36822	1.0
57.56364	1.1
59.45990	1.1
61.02918	4.6
68.99780	4.1
69.03429	26.4
69.07069	1.7
69.43528	5.5
69.43963	6.1
70.06616	2.0
71.05015	5.7
71.05343	1.2
73.02924	5.7
79.05505	1.6
80.76186	1.1
81.03421	16.2
81.07059	2.4
83.08619	1.6
85.02905	100.0
87.00835	18.4
87.04482	1.7
87.64521	1.1
91.05486	3.1
95.08611	1.3
97.02899	15.1
97.06531	1.1
98.21490	2.4
99.04457	17.5
100.11279	5.8
103.03956	1.7
103.05478	1.2
105.01853	9.1
105.07031	5.0
107.04957	27.5
109.02882	22.2
112.73585	1.1
115.03938	1.4
115.05465	2.2
117.01839	2.1
117.07000	1.7
118.52171	1.1
119.08631	1.2
123.04446	1.2
127.03914	53.7
129.01859	5.4
135.08066	7.9
137.05891	1.1
145.04950	28.5
147.02873	4.4
151.07588	1.6
154.00415	1.1
159.02921	10.3
163.07536	29.1
165.09126	1.6
167.07060	5.9
171.02899	1.6
189.03992	2.6
195.10170	70.2
196.10518	1.3
205.08485	1.7
207.10130	2.6
210.15056	1.8
213.04016	1.2
231.04996	18.5
232.54631	1.2
248.07750	4.1
249.06096	3.8
266.08868	1.3
397.54672	1.1
460.22122	1.4
460.27869	2.5
468.39026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01870	16.3
57.03431	6.4
61.02913	4.4
68.99783	3.8
69.03082	1.8
69.03428	24.3
70.94879	3.3
71.04984	4.9
73.02918	7.5
79.05466	1.1
81.03422	18.8
81.07061	1.7
85.02903	100.0
86.83440	1.0
87.00832	15.6
87.04443	1.1
90.88315	1.1
91.05459	1.1
93.07009	1.8
95.04951	1.4
95.08603	1.6
97.02891	18.1
98.03262	1.1
98.38821	1.2
99.03848	1.3
99.04449	20.1
103.05470	4.5
105.01875	10.8
105.07009	1.3
107.04951	4.4
107.08543	2.0
108.04503	1.2
109.02876	23.2
109.93439	1.1
117.01852	2.0
117.16942	1.1
119.08613	1.1
120.08125	1.7
120.08949	1.0
121.10129	1.7
126.05467	1.1
127.03911	54.7
128.04297	1.0
129.01834	6.6
129.20039	1.0
131.04884	1.4
135.08018	4.2
139.03908	2.8
145.03912	2.0
145.04959	29.1
145.54005	1.1
147.02878	4.2
148.80984	1.0
154.06247	17.1
157.10031	2.2
159.02896	10.3
163.07526	17.3
171.02953	1.7
175.14822	1.2
177.16302	1.8
186.13528	1.1
189.03819	1.4
195.10162	69.2
200.12936	1.9
212.17300	1.1
213.03925	4.1
219.10059	1.2
230.12566	2.4
231.04994	19.5
248.07637	4.9
249.05977	5.4
256.75864	1.3
265.50366	1.1
266.08725	1.2
301.07162	1.5
362.17966	1.4
460.16833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.2
55.01864	8.8
55.05493	2.6
57.03439	7.2
58.80684	1.2
61.02919	4.9
67.05494	1.8
68.99787	4.7
69.03425	28.9
70.06575	1.4
70.97249	4.5
71.04984	4.9
71.39014	1.2
73.02921	9.0
79.05495	5.8
81.03417	29.9
81.07069	3.4
83.04949	1.7
83.08611	2.1
84.08149	1.6
85.02905	72.5
87.00832	30.7
87.55866	1.2
91.03956	1.8
91.05489	4.9
93.07040	2.4
95.04951	2.9
95.08593	1.8
97.02895	29.6
97.10128	1.3
99.04447	12.4
105.01866	24.7
105.07047	6.5
107.04957	38.0
107.08598	1.9
108.04500	9.2
108.05125	1.6
109.02878	27.4
109.10139	1.9
115.05460	2.5
117.01844	4.9
117.07061	1.7
119.08576	1.6
121.06538	1.6
126.05519	4.6
127.03913	47.9
129.01822	3.2
133.10147	2.2
135.08038	11.9
145.04961	24.5
147.02878	3.3
159.02899	20.0
163.07552	40.9
165.09087	1.8
166.09491	1.7
167.07040	15.0
175.07547	1.8
176.15141	1.3
180.07849	3.0
186.36166	1.1
189.03967	2.5
195.10172	100.0
196.10550	2.1
205.08540	2.1
207.10210	3.8
213.03995	2.7
219.10263	2.5
230.06590	2.9
231.05016	10.6
248.07689	5.7
266.08798	1.8
285.11298	2.0
460.27823	3.3
464.28964	1.2
464.72891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.6
55.01859	8.6
55.05499	2.9
57.03439	5.8
60.04514	1.8
61.02924	5.5
61.33257	1.7
63.46352	1.8
68.99792	2.0
69.03430	31.3
69.68385	12.9
70.06578	2.8
71.04991	5.9
71.35478	2.0
73.02923	7.7
79.05495	2.5
81.03415	35.3
81.03851	3.3
85.02906	85.1
87.00831	32.5
91.03965	2.4
91.05493	2.9
92.30233	1.8
95.08624	2.5
97.02895	32.4
99.04440	11.2
103.05472	5.4
105.01878	26.6
105.07028	5.0
107.04965	8.6
107.08617	2.3
108.04483	9.1
109.02876	33.3
117.01842	4.8
126.05523	4.2
127.03912	57.5
129.01865	5.3
131.04932	2.1
133.10080	1.7
135.08052	6.8
137.00986	1.7
139.03935	3.4
145.04964	27.3
147.02878	3.1
154.06256	32.8
154.07445	3.1
159.02882	22.4
163.07542	29.8
195.10162	100.0
196.10529	2.5
198.46742	1.8
200.12825	4.1
204.51140	1.7
213.03986	3.6
231.05022	12.8
248.07932	2.4
249.06342	1.8
362.18011	4.8
417.17694	2.0
438.12613	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	460.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01865	9.0
55.05496	2.1
57.03433	5.9
57.90342	1.6
61.02919	7.5
64.10950	2.2
68.99780	3.0
69.03429	29.4
69.64122	16.2
69.66425	1.7
70.06586	5.4
71.04992	5.4
72.08163	3.8
73.02921	9.1
79.05482	2.2
81.03415	33.9
81.07022	2.1
84.08139	2.3
85.02901	80.6
86.09711	9.8
87.00834	35.0
91.03945	2.7
91.05480	6.8
93.07040	2.1
97.02894	30.4
97.06528	2.1
98.20749	3.7
99.04456	15.3
105.01862	35.2
108.04541	2.3
109.02879	26.9
109.10114	2.7
110.93278	1.8
117.01860	3.4
121.77899	2.0
122.03668	3.0
123.08045	2.3
127.03912	52.6
129.01875	4.0
137.05977	100.0
145.04964	27.7
147.02899	4.3
151.07513	2.6
159.02859	18.0
159.08119	2.0
161.04562	1.9
161.05984	6.3
163.03969	2.1
165.09132	2.1
165.44820	1.8
179.07045	7.6
189.09128	3.8
191.10670	5.8
203.07021	4.1
217.08591	1.9
219.10222	9.7
227.07121	2.4
231.04996	13.5
245.08226	4.3
247.52806	1.8
248.07626	3.0
253.10904	3.1
261.11188	3.9
285.11224	3.9
373.35013	2.3
460.19406	3.8
460.35199	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01850	2.9
55.05499	16.7
57.07065	3.5
59.04974	4.5
62.84258	2.9
67.05495	25.1
69.03432	2.8
69.07067	17.6
71.24683	5.7
71.25006	3.2
79.05486	25.0
79.67640	2.6
80.22636	2.5
81.03397	10.0
81.07051	37.8
83.04975	7.9
83.08614	8.0
85.06540	16.0
91.05475	46.7
93.07034	38.9
95.04940	12.4
95.08141	2.6
95.08614	33.4
96.01176	2.6
97.06519	7.5
103.05463	4.2
105.07020	75.8
107.04949	8.8
107.08590	46.1
109.06500	12.2
109.10139	21.6
111.08083	4.4
115.05466	4.5
117.07011	19.8
119.08578	100.0
119.09441	4.9
121.06484	5.7
121.10127	21.6
123.08083	4.5
123.11688	4.2
125.09622	6.9
128.06187	10.2
129.07021	16.1
130.07777	6.1
130.24365	3.2
131.08554	33.4
133.06491	11.0
133.10127	45.0
135.04407	3.3
135.08046	6.7
135.11638	14.0
137.05894	13.5
137.09624	3.6
141.06990	8.4
142.07768	26.0
143.08571	24.3
144.09323	12.2
145.06488	7.8
145.10109	38.0
147.08058	5.2
147.11658	25.0
148.94077	2.8
149.09622	5.5
149.13194	3.6
152.06245	3.4
153.06964	6.2
154.07809	7.1
155.08575	17.2
156.09410	16.5
157.06488	4.4
157.10121	45.4
158.10883	5.6
159.08011	7.2
159.11688	62.9
161.05978	3.5
161.09599	4.3
161.13223	20.9
162.06802	3.9
163.07497	7.5
163.11111	4.6
165.06966	8.1
165.09100	5.8
166.07791	3.2
167.08575	11.3
168.09344	9.9
169.10121	47.5
170.10846	9.7
171.08078	6.0
171.11668	25.6
173.05968	3.7
173.09599	8.2
173.13222	20.2
175.07526	3.5
175.11139	22.7
175.14888	5.6
177.12717	4.6
178.07706	5.0
179.08549	14.4
180.09283	4.3
181.10114	20.1
182.10890	6.7
183.11682	31.2
184.12476	3.5
185.09590	12.3
185.13216	18.7
187.11177	41.1
187.14864	8.9
189.09059	4.1
189.12733	7.9
191.08492	4.6
192.09331	9.1
193.10127	20.6
193.11958	4.3
194.10847	13.1
195.11676	19.2
196.12421	7.8
197.09607	3.8
197.13255	27.3
199.11140	7.9
199.14807	5.3
201.09067	3.7
201.12772	7.8
203.10574	4.3
205.10094	9.5
205.12201	8.9
206.10867	18.8
207.11696	23.0
208.12405	12.2
209.13246	36.8
210.14030	5.4
211.11064	7.4
211.14827	31.8
213.09076	3.6
213.12686	4.4
213.16463	3.9
217.10152	5.0
218.10849	3.1
219.11678	11.4
220.12476	15.0
221.09824	3.1
221.13234	28.7
222.13916	5.0
223.11240	5.4
223.14796	19.6
225.16353	6.3
227.14261	6.1
229.12183	6.8
229.15857	6.0
231.11833	5.8
231.13889	3.0
232.12360	4.2
233.13251	15.5
233.15308	4.1
234.13931	6.5
235.11137	3.7
235.14793	23.9
236.15401	3.6
237.12740	3.4
237.16225	14.4
239.10626	4.2
239.14310	7.8
239.17830	4.8
241.12292	3.7
246.13911	6.3
247.14830	7.4
248.15622	5.8
249.16290	9.8
250.17027	3.6
251.17883	11.1
253.15802	6.5
253.19661	4.1
255.13869	5.0
257.15356	21.8
259.14767	3.5
260.15503	3.6
261.16306	13.4
263.14261	5.1
263.17865	14.1
265.16006	4.3
267.13577	3.4
269.19290	3.2
275.17944	16.7
276.18512	3.3
277.19446	30.1
279.17432	8.6
279.20975	8.9
281.15359	14.8
281.18839	5.8
293.19031	4.8
295.20685	4.4
299.16330	5.8
303.17352	3.8
317.22647	13.3
319.24191	12.4
323.20151	5.1
327.21298	3.5
335.23761	22.1
337.25040	6.9
339.22983	4.2
345.22092	3.3
353.24753	4.1
359.18494	34.5
363.23242	17.8
367.22617	6.7
381.24445	15.8
385.23761	4.8
399.25183	3.3
459.27551	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27943	4.0
54.56391	3.7
55.01856	5.0
55.05502	14.0
67.05503	28.4
69.07063	18.6
69.40609	14.8
69.41032	29.7
71.04987	16.5
77.99609	4.1
79.05473	28.3
81.03406	12.7
81.07057	28.1
83.04980	12.2
83.08620	12.8
85.06532	11.6
86.02002	3.8
89.77654	4.1
91.05469	39.7
93.07043	39.7
95.04971	11.8
95.08599	42.2
97.06522	4.4
99.08041	3.7
103.05450	6.1
103.96326	3.9
105.07028	100.0
107.04941	7.2
107.08599	45.0
108.17086	4.1
109.06488	8.5
109.10155	16.6
115.05438	5.3
117.06996	25.4
119.04923	6.2
119.08587	49.4
121.06475	8.9
121.10151	18.8
123.08060	11.8
125.09603	5.9
128.06183	4.9
129.07018	14.5
131.08582	42.9
133.10136	28.4
135.04442	6.0
135.08054	7.7
135.11722	8.4
141.06973	11.0
142.07770	14.5
143.08575	32.5
144.09370	7.6
145.06505	8.0
145.10136	33.1
147.08080	6.2
147.11678	29.9
149.05957	5.7
149.09631	6.0
149.13264	8.6
155.08582	20.9
156.09380	7.4
157.10141	44.3
159.08046	10.8
159.11691	53.6
161.05963	7.6
161.09584	7.5
161.13301	15.4
163.07568	9.2
163.11243	6.1
167.08611	5.9
169.10123	16.1
171.08047	7.6
171.11690	14.1
171.36752	4.0
173.09578	9.3
173.13284	11.2
175.11198	32.2
177.12787	17.6
179.08595	5.9
179.14305	5.1
180.09306	5.4
181.10167	20.1
182.10861	6.0
183.05334	4.4
183.11629	23.1
185.09575	5.2
185.13216	7.3
187.11229	7.9
189.12778	6.4
192.09291	6.7
193.10130	14.4
193.12057	5.4
194.10889	8.0
195.11681	18.4
197.09602	4.5
197.13271	15.0
199.11194	9.8
199.14906	6.3
205.12204	24.4
206.10884	5.8
207.11676	16.7
207.13614	6.4
208.12462	5.6
209.13283	26.4
211.11104	7.2
211.14740	9.2
213.12753	4.3
215.14253	4.1
219.11810	6.4
221.13242	12.2
223.14841	9.9
225.16356	9.6
227.14301	8.3
229.12239	15.9
229.15857	5.0
235.14954	5.4
237.16447	6.2
239.17984	9.5
249.16389	19.8
251.17975	8.4
253.15816	5.6
255.13704	8.6
257.15274	4.7
261.16269	5.2
263.17914	11.3
265.19574	12.1
267.17264	15.6
271.16928	8.2
273.14990	4.9
281.18887	5.1
283.20746	6.2
295.16971	5.4
311.19916	11.1
313.18018	4.7
335.23691	17.7
337.25284	4.6
341.21069	5.1
353.24664	19.1
363.23190	12.2
367.22501	4.8
370.56201	4.0
381.24313	26.6
399.25635	19.5
417.25925	6.3
459.27463	24.0
459.35727	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01860	2.6
55.05511	14.5
59.04991	4.2
67.05500	19.9
69.03421	3.1
69.07060	17.0
69.52274	20.4
69.57944	2.2
71.04995	16.1
78.79905	2.6
79.05493	25.6
81.03409	7.3
81.07054	31.6
83.04970	5.0
83.08607	10.2
85.06533	11.1
91.05476	36.9
93.07043	37.8
95.04962	12.8
95.08594	34.2
97.06522	5.7
105.07027	100.0
107.04967	5.5
107.08578	44.5
109.06513	7.5
109.10153	12.7
111.08083	4.1
115.05459	10.6
117.07017	24.0
119.04890	5.3
119.08578	52.3
121.06521	10.2
121.10137	23.5
123.08082	8.1
123.11655	3.7
128.06227	9.6
129.06990	18.9
130.65132	2.4
131.08562	42.4
131.54945	2.2
133.06448	4.5
133.10110	30.7
134.23943	2.3
135.04366	3.2
135.08044	8.2
135.11740	8.2
137.09599	4.4
141.06989	11.4
142.07771	21.6
143.08574	28.1
144.09357	7.2
145.06459	7.4
145.10115	31.8
147.08037	6.5
147.11678	29.0
147.53743	2.7
149.05917	3.7
149.09584	6.0
149.13269	7.2
153.06961	5.8
154.07719	3.6
154.13266	2.7
155.08522	23.4
156.09338	8.2
157.10123	51.1
158.10942	3.6
159.08032	8.3
159.11684	50.7
161.05965	8.0
161.09615	7.9
161.13231	11.6
163.07515	4.7
163.11211	4.5
165.07016	5.8
165.09134	2.7
166.07834	3.5
167.08508	8.8
168.09280	6.0
169.10117	25.4
171.08044	6.6
171.11700	18.4
173.05923	3.8
173.09619	7.7
173.13295	7.7
175.11172	35.5
177.09155	2.9
177.12747	23.7
179.08539	10.0
179.14285	3.3
180.09375	5.9
181.10109	19.6
182.10977	3.1
183.11649	23.4
185.09598	6.1
185.13229	12.0
187.11177	9.6
187.14807	5.3
189.09155	5.6
189.12732	5.8
192.09297	8.8
193.10127	19.3
193.11993	4.5
194.10924	6.9
195.11673	30.7
197.13223	23.9
199.11194	6.8
199.14864	10.1
201.09044	3.0
201.12715	7.7
203.10658	11.4
205.12195	27.6
206.10974	8.3
207.11664	25.5
208.12369	6.6
209.13226	35.6
211.11183	5.0
211.14859	13.7
213.12695	6.4
213.16397	3.4
215.10706	6.6
215.14284	5.5
219.11601	4.8
221.13376	14.3
223.13048	3.2
223.14784	13.8
225.12753	3.6
225.16405	9.1
227.10733	4.6
227.14305	6.5
227.17821	3.1
229.12204	18.5
229.15894	2.8
233.13271	5.4
234.13843	3.6
235.14839	9.2
237.12851	4.6
237.16354	7.6
239.14246	3.1
239.17914	8.9
241.12149	5.0
241.15787	5.0
243.13913	3.0
249.16396	37.7
251.14284	3.1
251.17992	5.4
253.15700	2.7
255.13918	5.4
255.17310	3.1
257.11905	3.0
257.15408	4.1
261.16388	4.7
263.17993	7.2
265.16504	2.6
265.19510	16.6
267.17456	16.6
269.15314	3.3
269.18835	5.1
277.19504	4.8
279.17505	3.1
281.18921	6.1
283.16852	3.7
283.20523	9.4
285.18488	5.9
295.17004	5.8
295.20541	7.4
311.20078	18.2
317.22681	4.8
323.20068	7.1
324.76581	2.8
325.25250	3.1
329.21213	4.4
335.20087	4.2
335.23688	23.8
341.21274	5.2
353.24670	22.3
363.23114	10.4
371.25873	3.8
378.68182	3.0
381.24249	19.0
399.25104	10.1
417.26111	2.5
459.27112	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01876	5.0
55.05502	18.2
59.28817	3.6
65.03968	4.9
67.05508	19.9
69.07063	15.6
71.04990	20.2
71.63685	9.8
77.09174	4.0
79.05486	25.9
81.03418	7.2
81.07051	45.4
83.04948	6.4
83.08617	11.1
85.06528	14.0
91.05481	51.6
93.07043	48.6
95.04968	7.9
95.08613	27.9
97.06548	8.5
97.10136	4.0
99.08111	5.2
105.07024	100.0
105.07690	7.9
107.04939	8.9
107.08577	46.7
109.06515	13.1
109.10155	20.8
111.08063	5.3
113.09668	3.8
115.05460	6.5
117.07023	25.1
119.04973	6.5
119.08574	73.0
121.06526	13.5
121.10126	25.4
121.39426	3.6
123.08089	8.4
123.11692	6.2
125.09599	6.9
128.06250	9.5
129.07007	18.6
131.08554	42.8
133.06456	9.4
133.10144	37.8
135.04448	7.5
135.08037	11.0
135.11674	10.8
137.09642	8.9
141.05975	4.4
141.06996	13.2
142.07791	23.2
143.08556	27.2
144.09367	7.2
145.06511	9.8
145.10129	41.8
147.04437	4.8
147.08032	8.9
147.11665	25.8
149.06024	9.8
149.09641	5.3
149.13283	7.2
153.07024	7.6
154.07779	5.7
155.08571	24.5
156.09328	8.4
157.10152	52.4
159.08038	9.9
159.11693	62.9
161.06076	10.1
161.09612	11.7
161.13248	17.5
163.07506	7.4
165.07014	5.2
167.08557	9.2
168.09348	11.1
169.10101	30.6
171.07921	5.1
171.11676	22.3
173.09650	10.0
173.13240	10.9
175.07529	5.4
175.11221	35.4
175.14755	4.1
177.12772	26.8
179.08533	10.6
179.10759	4.8
180.09462	5.6
181.10115	20.4
183.11661	23.6
185.09711	6.0
185.13271	17.0
187.11147	7.5
187.14835	5.6
189.09114	5.7
189.12732	9.8
192.09418	6.4
193.10117	14.2
194.10835	6.7
195.11630	26.0
196.12399	6.3
197.13277	16.4
199.11240	7.9
199.14856	9.7
201.12790	9.7
203.10655	7.5
205.10347	7.6
205.12219	34.9
206.10934	5.0
207.11691	21.0
207.13606	7.8
208.12479	5.8
209.13188	32.0
211.11082	7.1
211.14763	18.0
213.12744	5.9
213.16302	5.8
215.10757	4.3
215.14305	8.8
215.82864	4.7
219.11716	9.4
221.13307	14.1
223.14859	17.9
225.12868	5.1
225.16402	12.3
227.10655	5.2
227.14304	7.8
229.12238	23.3
231.13910	4.4
235.15001	6.5
237.16528	7.4
239.14243	5.3
239.17972	15.5
243.13893	6.4
243.17407	5.0
249.16461	32.1
251.14255	5.5
251.17986	10.0
255.13832	8.8
263.17819	11.4
265.19446	15.9
267.17386	23.2
269.19064	7.1
271.16971	9.1
273.14960	4.9
281.19183	4.8
283.20557	7.8
295.16852	6.9
295.20526	6.8
311.20163	25.9
319.24353	5.1
325.17688	5.1
329.20895	8.8
335.23776	18.8
341.21213	12.5
353.24820	24.9
363.23145	11.3
367.22787	5.7
371.25583	5.9
381.24277	38.1
385.23514	7.6
399.25211	26.8
403.20728	4.4
417.26559	8.6
459.27261	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.05507	23.4
57.07061	4.3
64.93113	3.9
65.03915	4.9
67.05499	39.7
69.03401	8.8
69.07044	19.6
69.84304	24.6
70.24788	3.7
71.04972	6.1
79.05474	30.5
81.03417	18.7
81.07053	63.8
82.07389	4.3
83.04980	10.3
83.08594	13.4
85.06525	18.4
91.05470	51.2
93.07032	67.5
94.89965	4.6
95.04952	16.7
95.08592	40.3
97.06557	4.9
97.10162	6.6
103.05387	5.7
105.07026	100.0
107.04964	10.4
107.08588	63.6
109.06508	6.6
109.10177	31.0
111.08064	6.0
115.05444	5.7
117.07005	24.4
119.08578	72.4
121.06476	13.1
121.10140	26.4
123.08032	5.9
123.11716	6.2
128.06212	10.8
129.07002	23.7
131.08554	52.7
133.06502	8.8
133.10123	37.4
135.04411	4.5
135.08023	10.8
135.11684	25.1
137.05949	8.4
140.59624	4.9
141.06958	12.5
142.07764	26.9
143.08543	41.5
144.09326	6.0
145.06477	5.2
145.10141	41.2
147.08014	7.1
147.11690	21.5
149.05984	11.1
149.13194	4.3
151.07500	6.2
153.06940	6.4
155.08534	30.9
155.90404	4.6
156.09346	12.0
157.10120	67.2
158.10828	6.2
159.08081	8.0
159.11664	59.0
161.09651	9.0
161.13266	13.2
165.06967	6.0
166.07796	4.7
167.08574	12.1
168.09337	15.5
169.10100	45.7
170.10855	7.9
171.11694	34.9
173.05930	6.8
173.13264	14.3
175.11143	38.5
175.14714	5.0
177.09148	4.4
177.12759	14.9
179.08557	12.2
181.10109	17.5
182.10878	8.1
183.11650	37.9
185.13240	19.7
187.07579	6.0
187.11131	13.3
187.14851	7.2
189.09085	6.4
189.12770	7.4
192.09378	6.2
193.10098	20.1
193.12094	9.8
194.10883	11.5
195.11693	28.6
196.12350	6.9
197.13206	25.2
199.07602	4.8
199.11186	11.5
199.14822	12.4
201.12753	11.9
203.29123	4.3
205.10240	5.8
205.12155	7.6
206.10909	12.7
207.11769	27.9
207.13437	5.2
208.12447	12.3
209.09668	4.1
209.13271	42.7
210.13959	5.0
211.11136	5.5
211.14812	20.6
215.14340	7.6
219.11642	7.0
220.12466	5.7
221.13280	20.5
222.14101	4.9
223.11166	5.1
223.14833	26.2
225.16367	14.9
226.79854	5.2
227.14307	10.6
229.12212	14.5
233.13280	10.2
234.13982	7.3
235.14850	13.5
237.16350	11.8
239.17871	5.7
241.15935	6.5
247.14687	6.7
248.15591	5.1
249.16415	27.3
251.17931	15.8
261.16327	14.5
263.17941	19.9
265.19574	14.5
267.17453	9.8
275.17944	8.1
277.19412	12.1
281.19122	7.3
283.20563	7.5
293.18875	7.9
293.22086	5.5
295.16943	9.5
295.20346	9.5
305.22568	19.7
307.24042	5.0
311.20148	7.9
311.23578	6.1
313.18033	7.9
317.22653	5.8
323.23676	15.4
335.23627	28.6
337.11237	4.7
337.25067	6.2
351.23129	12.6
353.24817	18.2
363.23053	10.1
367.22534	8.7
369.24216	11.1
371.25256	5.3
381.24341	27.4
385.23691	6.0
399.25330	8.4
441.26382	14.8
458.14453	5.0
459.27069	27.1
459.35910	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
55.01863	5.0
55.05514	20.5
57.03421	3.1
57.07068	3.6
59.04993	3.1
64.14702	2.6
65.03913	3.7
67.05502	38.0
69.03396	4.2
69.06712	4.0
69.07059	49.9
70.83689	8.6
71.04978	6.7
71.49352	2.7
72.61289	2.2
74.83784	2.5
77.55361	2.9
79.05488	39.1
80.48738	2.5
81.02989	3.6
81.03394	16.0
81.07051	56.0
83.04995	12.6
83.08623	14.7
84.75398	2.5
85.06538	26.1
90.53181	2.5
91.04953	5.0
91.05478	58.3
93.07040	69.3
95.04969	16.0
95.08598	57.3
97.06513	9.9
97.10173	4.8
101.92967	2.8
103.05470	6.6
105.07021	100.0
106.07338	3.7
107.04930	9.9
107.08585	56.2
109.06510	8.4
109.10133	25.9
111.08077	11.5
113.09630	3.8
115.05424	5.9
117.07013	26.9
119.04947	4.6
119.07770	4.6
119.08573	60.6
121.06468	11.7
121.10140	29.6
122.10439	3.5
123.08056	5.5
123.11715	6.7
125.09586	7.2
128.06239	12.6
129.07018	19.2
129.07838	3.1
130.07751	3.7
130.69337	2.7
131.08557	56.2
133.06477	4.5
133.10127	37.4
135.04395	9.1
135.08052	10.1
135.11710	15.7
137.05962	3.8
137.09579	6.7
139.07545	5.7
141.06972	11.3
142.07764	16.0
143.08553	42.6
144.09319	8.5
145.06471	11.1
145.10120	54.0
147.08069	6.7
147.11684	27.8
149.05997	15.5
149.09595	6.6
149.13242	10.4
151.11166	3.1
153.06938	4.1
154.07759	6.7
155.08537	32.7
156.09325	10.5
157.06502	3.2
157.10124	55.2
158.10722	3.0
159.08011	7.7
159.11685	52.3
161.05838	3.5
161.09590	12.6
161.13258	26.0
163.07539	4.6
163.11209	3.2
165.06999	9.9
166.07787	5.8
167.08577	13.6
168.09303	9.1
169.10121	32.6
170.10809	3.0
171.08034	9.2
171.11685	24.9
172.12177	3.0
173.05971	3.5
173.09610	10.1
173.13245	15.6
175.07547	4.9
175.11211	25.3
175.14806	4.6
177.09042	5.1
177.12779	5.4
178.07710	5.8
179.08533	12.8
180.09320	8.3
181.10130	31.3
182.10880	11.2
183.07997	3.2
183.11697	31.4
184.12234	3.1
185.09598	8.1
185.13231	24.0
187.07570	4.3
187.11209	15.2
187.14825	8.9
189.09077	8.2
189.12668	6.8
191.08464	3.6
191.10690	4.3
192.09332	9.2
193.10133	16.4
193.12222	10.0
194.10855	10.6
195.11670	33.2
196.12373	7.9
197.09628	6.0
197.13263	34.7
198.10364	3.5
199.11098	10.0
199.14804	24.3
200.15620	3.4
201.08952	4.2
201.12715	8.1
201.16400	9.6
203.10666	6.5
205.10194	7.1
205.12245	25.4
206.10828	10.0
207.11676	21.5
207.13567	4.8
208.12416	8.3
209.13257	41.8
210.13776	5.7
211.11185	10.1
211.14821	33.8
212.11685	3.0
213.12747	8.5
213.16379	6.6
215.10687	3.3
215.14326	4.8
217.12094	5.0
219.11719	12.4
220.12462	6.0
221.13240	26.9
222.13734	3.3
223.11198	3.7
223.14822	25.9
225.12796	3.0
225.16351	14.2
227.10709	5.8
227.14299	13.4
227.17908	5.0
229.12234	11.6
229.15843	7.2
231.11836	4.0
231.13922	3.1
233.13278	7.2
234.14124	3.7
235.14833	16.8
236.15508	5.9
237.12741	5.2
237.16402	21.0
238.17172	3.8
239.14296	9.6
239.17950	10.1
240.18600	3.8
241.12061	4.0
241.15883	6.5
241.19478	4.5
243.17580	3.2
245.15337	4.7
246.14076	4.3
247.14780	8.3
248.15663	4.7
249.16428	15.8
250.17068	2.9
251.17941	23.2
252.18631	3.1
253.19557	11.3
255.13751	6.7
255.17355	3.9
261.16467	15.3
262.16821	3.4
263.15134	3.4
263.17914	17.6
265.15897	6.3
265.19421	7.8
267.13684	5.6
267.17538	16.5
269.15567	2.9
269.18649	5.3
273.14609	3.6
275.18036	6.3
277.19391	23.0
279.17453	22.3
279.21072	10.8
281.19153	12.5
283.16818	5.0
285.18396	8.7
291.20987	4.6
292.21753	3.0
293.19357	3.6
293.22452	12.6
295.17114	6.1
295.20560	6.9
297.18552	9.6
307.16925	4.6
307.24258	9.3
309.25613	6.6
309.44702	2.8
313.17950	11.8
317.22620	14.7
319.24097	16.4
321.18408	3.0
323.20129	7.0
325.17786	6.5
335.19656	3.5
335.23706	66.6
336.24045	5.2
337.25177	17.9
339.23148	10.2
341.21057	3.1
345.22122	3.6
349.21536	3.9
353.24771	21.3
354.25131	4.6
363.23193	31.0
364.23590	3.3
367.22800	4.2
381.24219	39.9
385.23688	3.4
399.25323	24.6
441.26294	7.6
459.27393	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05511	14.3
67.05507	18.0
69.03433	13.4
69.07058	16.0
71.00335	4.9
71.04982	5.4
76.63647	2.2
79.05469	7.8
81.03410	6.0
81.07050	23.6
83.04970	9.9
83.08599	7.1
85.02914	13.4
85.06539	5.8
85.98740	2.5
86.09742	2.3
87.00804	4.2
91.05465	7.6
93.07034	14.7
95.04966	2.5
95.08609	36.1
97.02863	7.5
97.06509	4.6
97.10166	3.8
99.04406	2.7
99.08091	6.6
103.53552	2.2
105.01859	5.3
105.07024	15.3
107.04922	3.4
107.08581	25.2
109.02856	7.1
109.06511	9.9
109.10156	89.2
111.08093	3.4
119.08574	53.2
121.10128	9.9
123.08033	15.0
123.11707	10.0
125.64248	2.1
127.03931	12.5
133.10120	45.8
135.11690	89.0
137.09633	13.7
139.11208	2.7
147.11592	3.5
149.13278	8.5
151.11172	8.3
151.14815	11.6
154.08643	3.1
175.14827	74.0
193.12181	3.2
193.15880	57.1
193.17624	3.0
211.16927	100.0
212.17130	3.4
229.12025	2.4
234.08632	8.2
349.61182	2.2
459.15979	8.2
459.26984	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01877	6.4
55.05271	1.7
55.05510	25.6
57.03433	6.1
63.14855	1.1
65.03929	1.8
65.65813	1.1
67.05502	31.9
69.03416	5.0
69.07066	10.9
70.43721	4.1
70.44072	2.2
71.05022	2.0
79.05492	32.9
81.03417	100.0
81.07050	28.8
82.64070	1.1
83.04977	6.0
83.08165	1.8
83.08621	25.5
85.06531	1.8
91.04901	1.9
91.05479	36.3
93.07047	19.7
95.04969	31.8
95.08599	12.1
97.02874	3.0
97.06516	5.2
97.10174	11.3
101.62823	1.2
103.05462	1.6
105.07025	27.0
107.04950	16.1
107.08590	15.8
109.02850	1.5
109.06509	5.8
109.10122	7.0
109.89926	1.3
111.08074	9.3
115.05444	3.7
117.07024	9.7
119.04946	3.1
119.08576	21.3
121.06503	10.7
121.10127	8.5
123.04430	3.0
123.08070	4.8
125.05972	1.5
125.09634	9.1
128.06248	2.7
129.07007	15.5
131.04951	6.1
131.08559	18.8
133.06467	7.7
133.10153	8.5
135.08046	4.7
135.11732	2.5
137.09631	1.8
141.06989	4.4
142.07803	4.1
143.08553	9.1
144.05699	2.2
145.06488	24.4
145.10091	6.8
147.04427	1.8
147.08055	6.0
147.11693	10.6
149.05965	2.1
149.09612	5.5
153.07004	1.8
153.09088	2.9
153.12692	1.6
154.13277	1.3
155.08580	6.0
157.06480	5.5
157.10130	13.6
159.08070	5.7
159.11694	3.8
161.05963	3.1
161.09570	3.5
165.09064	2.9
165.12802	2.9
169.06534	2.6
169.10162	3.3
171.08046	5.1
171.11652	3.7
173.09613	1.4
175.11180	13.9
181.10144	3.7
181.57274	1.4
183.08022	3.1
183.11647	3.1
185.09662	4.3
185.13229	2.3
187.14876	2.1
189.11226	6.8
189.12749	2.2
193.12244	49.6
195.08061	2.2
195.11737	4.1
197.09773	1.6
197.13235	3.8
199.11259	2.9
202.12537	1.2
203.14336	1.7
205.12300	1.9
209.13185	1.8
211.11249	3.0
213.12779	2.8
215.14272	2.7
227.14307	3.6
231.13606	2.3
233.15353	3.4
237.12773	4.9
237.21492	1.2
245.15369	1.9
246.54930	1.4
249.14828	5.9
254.06621	1.3
255.13861	5.3
257.15347	3.6
269.15466	1.6
273.14804	17.2
283.16815	2.6
287.16296	1.8
299.16406	1.5
321.22147	2.1
339.23187	4.9
349.21619	14.2
357.24219	6.2
367.22672	42.0
385.23740	35.8
403.24817	10.8
405.24292	3.1
423.25452	2.0
441.26395	4.5
459.27383	98.3
460.28122	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	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
56.76439	1.0
60.60899	1.1
62.25475	1.1
68.32293	1.1
69.03426	3.4
69.07063	3.1
69.42957	9.7
69.43372	2.1
79.05507	1.8
81.03416	2.2
81.07063	10.3
85.02901	8.0
86.38811	1.0
87.00829	4.8
91.05457	2.9
93.07045	2.4
95.08602	10.9
97.02903	3.0
99.04414	1.8
99.08086	3.2
105.01862	4.5
105.07037	9.6
106.13670	1.1
107.08595	8.8
109.02843	2.2
113.09619	1.3
119.08578	44.6
121.10157	1.5
123.11685	2.4
127.03906	4.8
131.08592	1.9
133.10123	50.2
135.11697	11.9
145.04968	2.5
147.11670	3.0
166.10406	1.1
175.14822	100.0
176.15172	3.4
186.29482	1.3
193.15878	11.0
211.16951	4.0
267.67651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01872	2.3
55.05510	7.4
57.03450	1.4
57.07055	2.6
59.04994	1.2
67.05499	16.3
69.03431	10.7
69.07060	9.9
70.56361	3.7
71.04987	3.7
77.84203	1.2
79.05492	3.4
79.17423	1.4
81.03404	4.6
81.07053	19.3
83.04974	8.1
83.08609	7.8
85.02888	9.8
85.06557	2.6
87.00821	4.9
91.05485	3.0
93.07038	10.0
95.04961	1.2
95.08601	30.9
97.02888	3.6
97.06527	1.3
97.10134	1.6
99.04454	2.3
99.08103	3.5
105.01854	3.7
105.07026	6.4
107.08587	21.8
109.02869	3.9
109.06517	8.0
109.10151	99.4
110.10492	2.6
111.08056	3.4
111.69975	1.1
112.82448	1.0
119.08575	42.3
121.10138	12.9
123.08055	13.2
123.11693	8.5
127.03912	6.1
133.10139	20.8
135.11682	100.0
136.12033	2.4
137.09604	13.9
139.11168	2.9
145.04945	1.4
147.11742	1.4
149.13213	5.9
151.11215	7.7
151.14792	12.1
153.12737	2.9
154.72084	1.2
165.16397	3.4
175.14822	50.3
193.15877	59.8
194.16281	1.8
211.16925	59.0
212.17249	1.3
459.27811	2.0
459.47745	1.2
473.71002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01867	1.8
55.05518	2.3
56.32516	1.0
57.03431	1.4
61.02916	1.2
62.59900	0.9
67.05501	4.3
69.03424	5.8
69.07059	2.5
70.06592	4.3
71.04990	2.5
71.63999	1.5
72.08149	3.9
79.05495	4.4
81.03410	6.6
81.07054	8.5
83.04967	1.2
84.08129	1.6
85.02905	10.2
85.06545	1.6
85.81367	0.9
86.09697	8.2
87.00823	3.3
91.05482	6.5
93.07040	7.7
95.04988	2.0
95.08609	9.7
97.02884	6.0
97.06530	1.4
99.04433	2.3
99.08078	3.1
105.01882	3.1
105.07025	6.5
107.08588	6.6
109.02881	4.2
109.10155	5.4
111.08086	1.0
113.09621	1.4
118.70037	0.9
119.08577	35.6
121.10159	1.6
123.04384	2.0
123.11701	3.6
127.03915	7.5
131.04930	1.3
133.02876	1.4
133.10124	56.2
134.10472	1.6
135.11685	15.2
137.05997	1.9
137.09605	6.4
145.04948	2.5
145.10219	1.4
147.11691	2.1
159.02936	2.8
161.05945	1.3
163.03915	4.5
165.05550	1.0
165.09120	4.6
173.03024	1.0
175.14821	55.8
193.15840	12.9
201.05447	1.8
211.16924	7.9
225.07877	4.1
231.04974	1.3
238.08630	21.0
239.09497	2.6
252.10196	18.6
253.10970	100.0
254.11742	18.1
265.10928	1.2
266.11734	1.0
280.13345	2.3
285.11075	1.6
298.14368	11.4
327.12378	1.1
342.50516	1.0
459.17972	3.6
460.19644	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	459.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	21.3
57.03436	4.0
60.95839	3.4
65.43674	3.1
69.03425	11.4
69.50809	26.0
70.06580	10.8
70.93308	3.4
71.04990	4.9
71.14283	3.2
72.08147	3.8
73.02915	6.8
81.47325	2.8
82.15039	3.3
84.08158	4.0
84.96009	4.3
85.02907	25.0
86.06069	11.0
97.02878	14.5
98.97585	100.0
110.97588	18.0
112.99147	10.0
116.98629	57.3
127.03911	11.6
128.98601	32.9
131.00148	17.9
134.99623	21.0
138.05528	4.1
140.00191	3.9
143.00113	6.0
145.04938	6.0
146.99675	19.7
149.01212	10.8
153.00557	5.0
158.99661	52.0
161.01212	7.9
161.02780	4.5
163.03917	18.7
165.00717	5.8
170.99643	20.9
173.01295	3.7
177.00713	78.7
178.04915	3.8
189.00748	52.0
193.03806	9.1
195.01744	6.9
200.02383	3.6
201.00681	12.0
203.04254	4.2
207.01712	22.3
212.02258	3.9
218.00140	3.7
219.01772	33.0
231.01811	8.9
235.04736	5.7
237.02872	26.8
245.11298	5.3
249.02803	20.9
251.04391	7.0
255.03836	10.7
259.07584	5.1
261.02750	5.7
265.05933	10.6
272.06546	7.4
279.03900	76.5
283.06992	7.0
291.03937	11.6
293.05496	4.2
297.04825	10.5
299.70605	3.2
307.06830	5.5
309.04932	12.2
404.05466	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	459.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	21.3
57.03436	4.0
60.95839	3.4
65.43674	3.1
69.03425	11.4
69.50809	26.0
70.06580	10.8
70.93308	3.4
71.04990	4.9
71.14283	3.2
72.08147	3.8
73.02915	6.8
81.47325	2.8
82.15039	3.3
84.08158	4.0
84.96009	4.3
85.02907	25.0
86.06069	11.0
97.02878	14.5
98.97585	100.0
110.97588	18.0
112.99147	10.0
116.98629	57.3
127.03911	11.6
128.98601	32.9
131.00148	17.9
134.99623	21.0
138.05528	4.1
140.00191	3.9
143.00113	6.0
145.04938	6.0
146.99675	19.7
149.01212	10.8
153.00557	5.0
158.99661	52.0
161.01212	7.9
161.02780	4.5
163.03917	18.7
165.00717	5.8
170.99643	20.9
173.01295	3.7
177.00713	78.7
178.04915	3.8
189.00748	52.0
193.03806	9.1
195.01744	6.9
200.02383	3.6
201.00681	12.0
203.04254	4.2
207.01712	22.3
212.02258	3.9
218.00140	3.7
219.01772	33.0
231.01811	8.9
235.04736	5.7
237.02872	26.8
245.11298	5.3
249.02803	20.9
251.04391	7.0
255.03836	10.7
259.07584	5.1
261.02750	5.7
265.05933	10.6
272.06546	7.4
279.03900	76.5
283.06992	7.0
291.03937	11.6
293.05496	4.2
297.04825	10.5
299.70605	3.2
307.06830	5.5
309.04932	12.2
404.05466	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	458.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
57.03419	0.4
58.05400	0.2
58.06601	0.4
69.03434	1.2
69.07034	0.2
70.06598	1.5
71.04974	0.3
71.11118	0.7
72.08138	0.7
73.02909	0.4
81.03425	0.5
81.07040	0.8
83.04981	0.4
83.06084	0.5
84.04504	0.3
84.08116	0.8
85.02501	0.2
85.02905	2.0
86.09687	0.8
95.06042	0.3
95.08609	0.3
97.02882	0.9
97.06545	0.2
99.04441	0.4
109.02850	0.9
109.06498	0.4
110.07163	2.6
112.08741	0.3
124.07561	0.3
125.05917	0.3
127.03920	0.6
129.10181	0.4
135.07999	0.2
145.04965	0.4
163.03853	0.4
164.04301	0.2
165.07014	0.4
178.07693	0.5
179.08543	0.5
180.09349	0.4
189.07043	0.5
190.07780	2.1
191.08574	1.5
192.06570	0.6
192.09236	0.4
193.10139	1.0
202.07790	1.1
203.08575	2.2
205.06602	0.4
205.10175	0.4
207.08029	0.6
208.08842	0.7
209.09631	0.3
215.08484	0.3
218.05405	0.4
218.07288	3.7
218.09325	0.4
219.08075	3.4
220.08707	0.5
221.06006	0.3
221.09654	0.6
222.06755	1.2
223.07489	0.8
230.07274	0.4
231.08023	0.8
232.08855	0.3
233.09671	0.4
233.11801	0.2
235.07573	0.7
236.08368	1.5
236.10515	0.4
246.06830	1.9
247.07553	8.1
248.08333	3.4
249.09172	2.0
261.09070	0.3
263.04166	0.4
263.07031	13.2
264.07813	41.8
265.08160	1.4
265.11060	1.0
279.10162	100.0
280.10519	3.4
296.09271	1.6
296.12787	16.2
321.10312	0.3
412.24194	0.4
440.23987	0.3
441.15430	0.7
458.17957	1.2
458.24933	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	457.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.5
57.03413	4.7
67.05500	24.1
69.03416	9.7
69.07068	21.3
71.04964	7.6
71.64651	7.1
79.05490	33.8
81.03402	7.5
81.07047	51.8
83.04982	13.2
83.08574	7.3
85.06551	18.5
91.05486	48.1
93.07039	57.3
95.04967	13.5
95.08600	32.4
97.06532	14.4
105.07032	100.0
107.04923	6.4
107.08591	51.8
109.06486	8.5
109.10159	29.3
115.05441	9.2
117.07040	33.0
119.08569	64.0
121.06478	13.1
121.10110	28.1
123.08031	10.1
125.09660	4.2
128.06218	12.5
129.06981	16.6
131.08566	57.5
133.06439	4.8
133.10127	40.9
135.08057	9.5
135.11707	25.9
137.05994	4.5
137.09624	10.3
141.07001	12.5
142.07790	34.9
143.08539	38.8
144.09343	13.0
145.06480	7.2
145.10126	45.7
147.08064	5.4
147.11693	12.7
149.06012	10.0
149.09653	10.8
149.13251	6.1
151.07498	6.9
151.11169	7.7
155.08572	48.1
156.09360	9.6
157.10117	68.7
158.10843	5.8
159.08067	6.3
159.11684	84.7
161.09650	12.3
161.13263	16.6
165.06921	11.1
165.09094	8.9
167.08571	7.9
168.09305	15.5
169.10112	28.8
171.08083	8.6
171.11674	34.2
173.09679	6.6
173.13277	16.9
175.07690	4.8
175.11172	13.3
177.12749	15.7
179.08557	15.2
180.09268	9.9
181.10078	25.1
182.11021	5.9
183.11661	30.0
185.09680	9.7
185.13251	15.1
187.11206	13.8
187.14835	5.0
189.12692	4.7
192.09390	9.0
193.10117	22.8
194.10922	8.1
195.11667	36.5
196.12399	7.3
197.09631	7.5
197.13269	42.7
199.14853	16.3
201.12724	10.2
203.10645	8.5
204.09334	5.1
205.12195	48.0
206.10855	11.2
207.11687	27.9
209.13174	24.3
211.11179	9.1
211.14832	10.7
213.12634	6.4
215.10703	6.7
217.10173	8.4
219.11694	17.0
220.12314	9.1
221.13284	29.3
223.14812	20.5
225.12700	6.5
225.16321	8.8
227.10687	18.5
229.12270	18.4
231.11710	10.5
232.12503	8.4
233.13278	11.1
235.14801	22.1
237.12709	5.7
237.16417	7.8
239.14357	5.9
245.13275	7.7
246.14233	7.8
247.15056	6.8
249.16389	19.0
251.14302	5.5
251.17938	19.4
253.15750	6.0
253.19423	5.8
261.16360	16.5
262.17245	5.7
263.17944	19.3
265.15878	6.7
265.19519	12.9
267.17508	8.0
269.19043	4.9
275.17865	20.9
277.16226	4.4
277.19513	18.9
279.17404	11.6
281.15390	4.3
281.18939	5.4
293.18884	30.4
295.17416	10.1
295.20605	33.6
297.18433	5.9
307.16727	8.7
317.22610	18.6
319.24228	10.7
333.22128	11.9
335.23685	23.9
339.19571	13.4
351.23108	33.6
353.24805	25.0
355.22885	6.0
363.23257	30.4
365.21149	7.7
379.22577	14.7
381.24240	15.4
397.23798	41.5
411.25235	7.0
457.25552	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	457.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
53.60910	3.6
55.01888	3.6
55.05502	14.7
58.57272	3.2
64.38710	3.6
65.03935	3.3
67.05509	22.5
69.03438	7.9
69.07065	75.5
70.93587	4.4
70.93909	6.4
71.04993	4.8
79.05491	50.8
81.07053	59.3
83.04975	13.7
83.08610	5.7
85.06551	6.4
85.90868	3.6
91.05475	38.9
93.07035	36.4
95.04965	12.4
95.08598	23.8
97.06526	16.6
99.08091	13.0
105.03397	13.4
105.07036	65.3
107.04978	11.9
107.08587	33.3
109.06512	11.5
109.10168	15.2
111.08084	5.7
112.25148	3.3
115.05466	10.1
117.07017	33.5
119.04909	4.4
119.08588	42.5
121.06523	12.8
121.10136	20.3
123.08102	8.1
123.11747	4.8
125.09633	16.8
128.06229	10.3
129.06989	30.9
130.07864	4.8
131.04887	4.7
131.08563	32.0
133.06500	9.8
133.10124	20.6
135.04449	4.3
135.08049	6.5
137.09583	5.7
139.11086	4.3
141.06985	15.9
142.07776	15.5
143.08543	30.3
144.09291	3.7
145.06453	10.1
145.10141	34.4
147.08034	7.8
147.11656	19.0
149.02386	8.3
149.06017	5.7
149.09602	6.2
151.03911	60.2
151.11185	7.1
152.87206	4.0
153.07027	7.0
154.07780	5.4
155.04973	5.1
155.08559	18.9
156.09349	5.4
157.06519	21.3
157.10149	41.5
158.10925	4.9
159.08060	10.2
159.11707	38.3
161.09628	9.0
163.07510	5.1
163.11162	7.6
165.07030	10.2
165.09163	5.2
166.07787	5.8
167.08589	14.3
169.06570	4.0
169.10107	22.1
171.08083	7.5
171.11728	13.2
173.05984	8.3
173.09575	4.1
173.13242	5.2
173.54674	3.9
175.11218	23.6
177.12779	8.4
179.08539	9.4
180.09212	7.1
181.10168	19.6
182.10867	7.6
183.11716	17.6
185.09673	5.6
185.13229	8.1
189.09155	4.8
193.10168	15.1
193.12157	3.7
195.11664	26.9
196.12373	4.0
197.09561	9.2
197.13303	20.3
199.11177	10.3
199.14714	6.3
201.09119	8.7
201.12784	7.3
203.10733	9.8
205.10353	4.1
205.12276	11.6
206.10979	4.1
207.11717	10.8
209.09673	4.7
209.13254	17.9
211.11217	5.9
211.14786	7.0
213.12621	5.4
215.14346	8.9
219.10121	12.9
219.11862	7.2
221.11653	100.0
223.11212	13.4
223.14844	9.9
225.12802	17.7
227.14352	29.1
229.12285	13.9
233.13210	9.5
235.14833	13.7
236.15533	6.2
237.16466	12.9
239.14340	7.1
241.12184	8.8
241.15900	4.8
243.13904	5.2
249.16373	7.4
251.14377	6.1
253.15843	6.0
255.17526	5.6
263.14322	5.6
265.15878	10.0
267.17706	8.3
279.17407	4.3
281.15393	7.0
283.16925	5.0
293.18988	19.0
295.20645	12.6
309.21957	4.2
321.18481	6.9
333.22174	17.1
335.23685	14.4
339.19611	17.8
345.81680	4.3
351.23227	34.5
353.24850	10.1
361.21823	5.0
369.24310	12.7
379.22714	20.6
397.23785	26.1
411.25272	22.3
446.23267	4.0
457.25797	97.9
458.25784	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	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05507	2.5
57.07067	2.5
65.03927	1.6
67.05490	4.9
69.03420	6.8
69.07065	3.6
69.45625	15.8
70.06585	2.5
79.05479	4.8
81.03415	2.8
81.07055	7.6
81.67061	1.7
83.05010	1.6
83.25262	1.8
85.02904	9.2
87.00808	3.1
91.05453	6.0
93.07025	5.3
95.04967	4.4
95.08584	4.1
97.02876	4.6
97.06525	2.2
99.04459	1.6
105.01874	2.3
105.07033	12.3
107.04939	3.6
107.08578	18.7
109.02888	3.8
109.06492	9.5
109.10163	3.7
117.07002	1.9
119.08578	4.0
121.06433	2.0
121.10143	11.0
121.10865	1.9
122.07262	4.7
127.03900	6.1
131.08539	6.0
133.10124	100.0
133.31049	1.5
135.08023	10.0
137.09605	42.4
145.04929	2.8
145.10126	2.3
147.11621	2.7
149.09706	2.5
149.13251	7.3
151.11160	2.3
158.10822	1.6
173.13208	12.0
191.14305	54.8
209.15378	5.5
251.94380	1.7
273.77747	1.7
293.65872	2.1
386.34103	1.5
457.23239	1.7
463.25513	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	457.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.01860	6.4
55.05490	18.5
55.68033	4.2
59.04980	5.6
65.03931	6.3
65.47322	4.1
66.94081	4.1
67.05494	25.6
69.03432	6.0
69.07056	23.7
69.48425	43.2
71.04990	13.4
79.05486	37.8
81.03416	7.1
81.07044	47.9
83.04971	19.1
83.08601	8.8
85.02887	4.7
85.06541	23.6
88.85719	4.2
91.05474	49.9
93.07034	79.4
95.04951	15.3
95.08601	42.6
97.06540	6.5
105.06374	8.9
105.07024	100.0
106.07300	6.1
107.04945	6.1
107.08580	68.7
109.06508	10.6
109.10139	11.7
111.08076	8.2
115.05427	9.2
115.52741	4.8
117.07008	27.6
119.04933	5.5
119.08566	62.8
121.06496	10.8
121.10139	13.4
123.08068	12.7
128.06215	11.2
129.06995	25.2
130.07767	6.0
131.08574	52.3
133.06407	8.6
133.10132	43.8
135.08043	13.8
135.11697	33.5
141.06949	8.7
142.07785	23.4
143.08557	36.6
144.09317	13.0
145.06564	6.4
145.10110	43.0
147.04372	4.7
147.08092	6.6
147.11665	23.0
149.05908	8.2
149.09608	9.0
149.13298	9.3
153.06989	6.5
154.07632	5.5
155.08556	29.8
156.09332	6.3
157.06477	4.2
157.10118	80.1
158.10834	8.9
159.08005	6.2
159.11687	63.5
161.05881	7.2
161.09561	15.0
161.13243	12.6
163.07521	10.9
163.11121	7.4
165.07025	8.9
167.08597	9.7
168.09265	11.5
169.10103	20.8
171.11674	17.7
173.09578	18.4
173.13292	11.1
175.11166	31.1
177.12791	7.0
179.08546	14.2
181.10112	18.0
182.10742	5.2
183.06532	5.6
183.11661	26.5
185.06003	7.7
185.09624	8.3
185.13210	13.4
187.11145	10.8
191.08682	5.1
192.09326	8.2
193.10164	16.0
194.10851	10.0
195.11684	27.1
197.13223	14.2
199.11163	10.4
203.10663	13.9
205.10274	8.6
205.12222	19.3
206.10939	5.9
207.06439	5.0
207.11661	19.9
209.13173	27.3
211.11316	5.6
211.14825	8.8
213.12776	5.1
219.11778	12.6
221.13252	19.0
223.14796	12.5
225.12762	5.8
227.10654	5.9
229.12305	11.4
231.11646	5.1
233.13284	10.8
234.13965	5.3
235.11153	5.4
235.14836	12.7
236.15761	5.8
237.16463	13.0
239.14272	6.6
239.17969	5.9
249.16420	17.3
251.17979	14.7
253.15855	7.4
261.16379	11.6
263.17877	10.2
265.19455	9.7
267.14041	4.9
267.17377	11.6
275.17899	10.8
277.19299	7.5
279.17520	7.2
281.15341	6.8
281.19034	5.3
293.15536	6.5
293.18924	8.9
295.16977	5.9
295.20557	5.8
317.22556	7.2
319.20694	8.1
319.24268	9.0
335.23611	13.8
337.21725	7.1
339.19608	9.8
351.23141	8.4
363.23145	22.3
379.22546	11.0
397.23682	19.5
413.25006	5.3
457.25656	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	456.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01869	1.9
55.05497	0.9
57.03431	1.7
57.07071	16.1
58.06597	2.9
58.80328	0.6
59.04999	100.0
61.02923	0.9
67.05501	1.1
68.99789	0.8
69.03435	7.7
70.05022	2.9
70.06602	2.2
71.04988	1.1
72.03958	0.7
73.02954	0.8
81.03410	8.1
81.07069	2.0
85.02904	17.3
87.00827	7.0
91.05463	1.6
97.02894	4.9
97.06551	0.9
97.10198	0.9
98.97643	0.8
99.04478	3.1
101.09644	0.8
105.01863	5.9
105.07047	1.5
105.80863	0.7
107.05017	0.7
109.02872	5.2
115.11201	30.1
115.11988	1.7
115.85274	0.8
117.01842	1.5
117.09132	1.2
121.29947	0.7
127.03915	10.1
145.05002	2.6
159.02943	2.5
163.04015	0.8
173.15343	7.1
191.16415	47.3
192.16934	1.1
225.59369	0.8
231.05101	2.2
231.15140	0.9
238.27127	0.7
456.20279	3.5
457.21054	0.8
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
55.05507	2.8
55.66897	1.4
57.03438	3.3
57.07070	14.6
58.06579	4.8
59.04998	100.0
67.05478	2.7
69.03415	8.5
70.06589	8.9
71.64345	1.6
71.64697	1.6
73.02902	2.3
81.03411	7.6
81.07045	2.3
85.02901	20.9
87.00815	6.1
91.05493	8.6
93.07025	2.5
95.08584	1.6
97.02885	6.6
97.06500	2.9
99.04450	3.3
105.01867	6.5
105.07005	1.9
109.02850	5.5
109.06461	1.7
115.11208	36.7
119.08548	1.5
127.03896	9.3
145.04933	3.6
159.02831	3.5
163.03879	1.4
173.15361	5.4
191.16415	54.0
257.49133	1.7
276.19516	1.9
293.07635	1.7
335.09100	4.8
350.72900	1.3
456.20288	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
53.03959	2.8
65.24377	1.7
67.05488	2.7
69.03429	47.9
69.07059	3.8
70.98541	5.0
79.05519	3.5
81.03410	8.0
81.07072	5.4
83.04980	7.3
83.08599	2.2
85.02896	19.8
85.06556	3.3
87.00813	10.0
91.05487	5.3
93.07048	6.4
95.05016	2.3
95.08607	8.3
97.02893	7.8
97.06532	5.2
99.04458	1.9
105.01859	7.1
105.07004	10.5
107.08594	15.9
109.02876	5.7
109.06558	5.4
109.10152	4.8
111.08051	3.7
119.08598	5.3
121.06530	3.2
121.10136	12.4
123.11716	3.9
125.09625	16.2
127.03931	13.4
131.08574	6.3
133.10147	8.5
133.16621	1.9
135.08049	15.7
135.11685	5.9
145.04967	4.4
145.10114	3.4
146.01274	2.0
147.11688	5.7
149.09604	10.0
149.13278	3.9
150.10384	2.6
153.09081	6.0
158.10959	4.1
159.02866	3.0
163.11166	4.8
163.14835	6.8
165.12811	6.0
173.13249	22.3
177.62787	2.2
191.14294	100.0
209.15366	95.1
214.06012	2.1
260.21915	1.9
266.79184	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69073	5.5
61.16716	4.7
67.05487	18.6
69.03425	15.9
69.07079	7.4
69.30869	23.6
69.31293	41.6
70.06579	9.6
79.05470	6.2
81.03376	11.3
81.07031	14.3
85.02895	15.7
87.00806	7.2
93.07019	10.3
95.04942	10.9
95.08601	13.9
97.06565	8.2
98.21443	12.3
105.07024	12.2
107.08569	16.1
109.02905	6.6
109.06528	19.6
109.10140	73.8
110.93344	5.4
119.08585	10.4
121.10132	7.8
127.03880	13.8
131.08565	31.2
133.10092	13.4
135.07988	12.9
143.08646	6.7
147.11635	7.5
165.26337	5.8
173.13257	25.3
191.14307	100.0
192.49739	5.4
193.66292	5.7
209.15346	29.6
212.08984	5.8
243.91666	5.4
278.30945	6.4
297.07001	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	456.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01862	3.6
55.05510	22.4
58.06599	0.5
61.02919	1.4
67.05493	3.6
69.03429	1.7
69.07065	16.0
70.06588	2.2
71.04998	2.5
71.63119	0.5
71.63532	0.6
72.08162	0.6
76.77542	0.4
79.05495	2.8
81.03411	0.5
81.07058	0.4
83.04980	0.5
83.08614	78.8
84.08939	0.6
85.02895	1.4
86.09727	1.0
87.04474	2.1
87.08107	2.7
90.72508	0.4
91.05492	2.4
93.07035	7.3
95.04944	1.0
95.08601	3.9
97.02892	1.9
97.06538	1.5
103.05465	1.0
105.05497	0.7
105.07019	0.6
107.08576	0.6
109.06521	0.4
109.10159	0.8
111.08079	31.1
115.03928	2.7
121.06502	4.9
123.04408	0.5
127.11170	1.5
129.09120	6.5
133.04979	1.9
133.10141	0.7
137.02330	0.5
138.35242	0.4
139.07526	7.7
145.02837	0.5
147.04408	1.0
157.08594	18.0
160.37276	0.4
169.04941	0.7
175.09651	80.4
176.09967	1.2
177.05524	1.0
179.10725	0.8
187.18877	0.5
191.14337	0.9
207.10150	2.9
208.09694	0.9
209.15395	0.9
225.11218	8.6
229.15422	0.5
243.12263	22.5
253.10742	3.5
255.11418	0.5
261.13287	5.4
271.11746	100.0
272.12134	1.7
279.41132	0.5
289.12775	8.3
307.13812	0.7
315.13416	2.3
357.15463	1.7
375.16449	1.7
385.14926	1.8
403.15942	10.8
421.16910	2.0
456.09537	0.8
456.21890	0.7
460.66049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05497	2.7
57.03432	4.3
57.07074	20.5
62.06086	24.9
66.18884	0.7
67.05504	4.4
67.05808	0.8
69.07063	3.9
71.08629	15.6
71.46138	1.2
81.07059	6.4
83.08612	5.2
85.10168	7.0
88.03294	0.6
93.07014	0.8
95.08601	8.6
97.06599	0.7
97.10150	2.1
98.98457	5.5
103.07555	1.0
109.10144	3.8
123.11716	1.8
124.01600	1.8
139.47423	0.6
142.02635	1.2
155.01041	7.1
184.19452	0.6
198.05302	1.5
198.59970	0.6
216.06334	2.3
239.23636	1.7
282.27905	16.7
302.20453	0.7
313.27350	100.0
314.27768	2.9
375.52713	0.6
393.23871	5.7
436.27939	1.8
456.19156	0.6
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
69.82467	3.3
73.97009	0.5
112.89613	6.9
161.01228	0.6
203.03966	0.9
215.05893	0.6
220.86877	0.6
303.50653	0.7
455.11624	100.0
456.12064	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62364	1.8
57.03435	2.1
57.07064	2.0
58.06597	2.1
67.05480	3.6
69.03432	13.0
69.07066	4.8
70.06582	4.9
70.13126	11.9
71.04990	3.2
73.02914	2.1
78.02359	2.0
79.05514	4.7
81.03415	6.7
81.07056	3.9
84.08147	3.0
85.02905	12.4
85.07660	13.6
86.09718	4.3
87.00855	2.5
91.05482	8.0
93.07050	6.6
93.83304	1.8
95.04990	4.4
95.08608	4.8
96.62786	2.4
97.02901	6.5
97.06544	10.1
98.21379	2.8
99.04440	5.9
105.07034	16.3
107.04974	2.9
107.08601	5.5
109.02888	6.6
109.06531	8.1
117.07045	3.4
117.39184	2.1
119.08595	12.5
121.10188	9.9
123.08137	3.3
127.03920	8.8
129.06966	5.0
131.08569	5.5
133.06485	2.2
133.10156	5.4
135.08022	2.3
137.02278	2.4
137.06009	3.4
137.09589	3.6
141.06970	2.3
143.08562	5.4
145.10126	13.0
147.08060	9.0
147.11649	14.6
149.09657	4.7
156.09375	14.8
159.08057	2.6
159.11734	6.4
161.09656	4.4
161.13271	3.5
163.11171	5.7
165.12802	2.0
167.06967	2.2
171.11693	22.0
174.10379	2.2
189.12749	100.0
207.13817	6.6
231.14018	2.3
238.09860	4.1
252.98091	2.2
267.13846	8.8
293.08624	2.5
311.16571	3.1
419.15161	2.9
427.17371	4.2
436.28653	2.6
437.16586	5.9
455.10092	2.5
455.22519	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	453.3362
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.93968	3.1
55.05512	11.7
57.07071	6.9
67.05502	23.6
69.07067	28.3
79.05499	19.0
81.07056	100.0
83.08611	9.5
85.06548	4.9
89.06022	3.0
91.05476	14.3
93.07039	31.8
95.08605	63.3
97.06508	3.3
97.10194	4.4
97.95535	3.2
100.11278	7.0
105.07040	29.7
107.08604	27.7
109.06545	3.6
109.10155	57.8
114.29403	2.9
117.07003	5.1
119.08585	23.9
121.10165	18.2
123.11701	18.5
129.06987	7.5
131.08568	16.4
133.10106	23.9
135.08125	2.9
135.11658	23.1
137.13260	31.8
143.08533	10.9
144.09314	4.7
145.10152	18.0
146.96950	3.2
147.11674	15.0
149.13271	12.2
155.08525	5.0
157.10112	14.1
159.11691	42.8
161.13266	8.7
163.14847	6.0
165.12946	2.9
169.10229	4.1
171.11679	6.6
173.13260	6.4
173.58272	3.4
175.14896	6.5
177.12776	17.1
183.11702	5.3
185.13232	9.7
187.14809	4.9
189.16522	3.8
195.11699	3.2
197.13226	8.6
199.14737	5.9
209.13278	4.9
211.14822	9.1
213.16389	7.4
225.16347	5.2
227.17995	4.7
229.19559	7.5
231.21057	7.4
239.17920	4.3
253.19542	10.2
254.70490	3.1
255.21181	4.8
257.19025	11.4
259.20700	3.7
265.19556	4.9
267.20905	4.0
271.20557	12.7
275.19952	4.0
321.26181	4.0
323.27283	3.1
389.31952	4.9
407.33133	17.7
417.31732	4.2
435.32437	17.2
452.48032	3.7
453.33804	36.3
453.49866	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	454.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33266	0.4
55.01859	0.8
55.05519	0.9
55.91418	0.4
56.05025	1.5
57.03442	0.5
58.06594	2.2
64.07719	0.4
67.05515	0.7
68.05026	51.7
69.03420	1.0
69.07061	0.7
69.57761	0.4
69.88469	0.9
69.88879	2.0
70.06593	0.8
71.05006	1.0
78.82928	0.5
79.05490	1.4
80.05018	1.0
81.07047	1.9
84.04501	63.1
85.02906	4.8
85.06558	0.6
91.05482	4.0
92.80527	0.4
93.07045	3.6
94.06569	0.6
95.04980	0.7
95.08635	0.8
96.04486	12.3
97.06544	0.6
98.06041	0.8
98.21394	0.8
102.05531	5.2
103.05438	0.5
105.07024	9.6
107.08577	4.1
109.10150	0.6
112.17040	0.4
114.05524	100.0
115.05431	0.5
116.07091	0.5
117.07049	2.2
119.08580	4.3
121.06475	0.7
121.10158	0.9
126.05490	0.7
128.06216	1.6
129.07011	2.2
130.04991	4.8
130.07791	0.7
131.03333	0.5
131.08557	6.0
132.06548	1.7
132.08028	0.5
133.06491	0.7
133.10114	2.4
135.08022	0.6
141.06952	1.2
142.04994	31.7
142.07761	3.8
143.08562	5.4
144.09328	0.9
145.06464	1.1
145.10100	3.9
146.09595	0.5
147.08014	0.6
147.11639	1.2
149.09575	0.6
149.13208	0.7
149.48613	0.5
151.11183	0.7
153.06918	1.0
155.08543	1.5
156.09305	1.1
157.10114	7.1
158.09628	0.8
159.08070	1.5
159.11708	5.5
160.06046	80.8
161.06381	0.9
161.09598	0.9
161.13329	0.7
163.11160	0.5
168.09352	3.8
169.10117	1.4
171.11746	3.6
173.09587	0.7
173.13286	2.7
174.07556	0.5
175.11188	3.9
177.09076	1.0
181.10049	0.6
183.11687	9.1
185.13248	8.9
187.11171	1.8
189.09097	0.5
189.12730	2.1
191.10587	0.7
193.12572	0.5
199.11208	3.1
200.14363	1.8
201.12798	4.7
203.14211	1.0
205.10947	0.5
206.11765	0.5
211.11189	2.2
217.12250	10.0
219.13750	0.8
229.12230	7.5
235.13205	1.3
245.14066	7.5
246.14709	0.6
247.13260	2.8
266.15329	0.6
284.16513	1.0
302.17331	0.8
305.14102	0.6
312.15820	1.1
330.16858	3.8
332.18427	0.8
348.18042	4.5
357.15637	0.5
358.16226	1.3
376.17569	6.6
394.18582	6.5
408.19940	1.6
436.19458	0.8
454.20886	4.4
455.21570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3362
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
53.03941	5.8
55.05509	25.8
57.07076	7.5
57.94138	3.1
67.05502	32.4
69.07063	36.0
73.90859	3.1
79.05498	24.2
81.07052	100.0
82.06586	4.9
83.08604	22.0
85.06548	5.5
91.05476	32.5
93.07036	54.3
95.04959	3.8
95.08599	91.4
97.06529	6.2
97.10165	6.7
98.20585	5.9
100.07609	3.7
100.11247	46.4
105.07023	56.9
107.08598	35.8
109.10144	47.0
111.04426	4.5
111.11719	8.1
115.05363	3.1
117.07010	15.1
119.08569	46.9
121.10126	25.5
123.11693	20.5
125.09670	3.5
129.07013	9.6
131.08563	30.2
133.10110	44.3
135.11676	31.5
137.13240	24.9
143.08582	11.4
144.09299	5.1
145.10110	28.2
147.11688	23.4
149.13239	35.2
151.14882	6.4
154.47281	3.2
155.08524	9.6
157.10097	17.6
159.11693	61.4
161.13245	42.7
163.11174	3.6
163.14822	9.9
168.09315	3.7
169.10085	5.6
171.11729	7.5
171.13179	3.4
173.13245	13.1
175.11188	11.0
175.14796	6.7
177.12726	23.9
179.14275	9.2
181.10258	3.6
182.15392	12.7
183.11662	6.7
185.13258	15.1
187.14761	8.2
189.16469	4.3
190.99892	3.6
195.11568	3.7
197.13289	7.0
199.14828	9.3
201.16403	5.6
209.13326	6.7
209.16505	10.3
210.14903	10.1
211.14870	9.7
213.16432	7.9
225.16356	6.3
227.17862	6.4
229.19534	12.9
231.21095	7.3
239.17905	9.3
251.18002	11.6
253.19417	6.1
255.21080	6.7
257.18933	5.4
275.20071	6.4
283.20624	7.7
293.22754	5.7
297.22427	4.7
307.24329	5.4
325.25333	4.2
333.25717	4.8
349.28714	5.0
353.24765	3.9
389.31989	40.4
407.33112	52.4
408.33273	6.4
417.31244	6.3
435.32846	46.9
453.34079	90.5
454.34793	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	453.3361
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
52.31407	4.9
55.05518	7.3
61.82007	5.0
67.05510	12.8
69.07049	10.1
69.61008	5.2
71.66601	8.7
71.67084	6.9
79.05494	11.6
81.07047	24.1
93.07049	14.5
95.08632	31.8
100.11248	53.6
105.07017	13.8
107.08611	11.3
109.10172	16.1
119.08578	13.8
121.10152	6.3
133.10115	12.1
135.11655	5.8
137.11456	5.2
137.13278	9.3
137.60036	5.1
145.45134	6.1
148.72662	5.0
155.08566	6.4
157.10092	9.6
159.11688	24.5
163.11272	6.7
171.11720	6.9
177.12784	8.7
182.15399	14.3
209.16483	19.6
210.14882	23.6
297.60941	6.2
407.33197	7.4
435.33118	36.6
453.34445	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	453.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94114	1.7
51.89148	1.6
53.03938	5.6
55.01859	4.8
55.05513	25.3
57.03434	11.7
57.07058	5.9
58.06590	2.8
61.02930	10.7
65.03949	1.6
67.05503	16.5
69.03426	34.0
69.06718	2.2
69.07067	27.1
70.75298	5.9
70.75645	1.6
70.97440	1.6
71.04978	6.2
71.72586	1.6
73.02899	3.6
79.05485	9.9
81.03413	13.5
81.06584	3.1
81.07054	58.8
82.06557	2.5
83.08613	11.7
85.02905	100.0
85.06549	9.8
87.04459	3.5
91.03941	3.2
91.05482	9.6
93.06477	2.3
93.07041	29.6
94.36781	1.5
95.04973	6.5
95.08603	43.3
97.02892	22.8
97.06510	4.9
97.10162	14.5
99.04436	7.0
99.08076	7.0
100.11245	14.6
105.07019	14.0
107.07870	2.6
107.08588	38.1
109.02870	9.4
109.06523	1.8
109.10154	27.7
111.04427	5.0
111.08149	1.6
111.11712	3.5
113.09633	1.9
116.01225	1.5
116.06479	1.8
117.06961	3.1
119.08569	13.8
121.10148	25.0
123.11710	11.2
125.09618	3.3
127.03917	25.4
128.07092	2.3
130.24013	1.5
131.08586	4.1
133.10110	10.2
135.08032	2.7
135.11711	19.1
137.13243	4.3
139.11186	2.1
143.07440	1.9
143.08527	2.8
143.10646	2.2
145.04950	15.4
145.10112	7.3
147.11668	7.6
149.13243	30.9
157.10089	4.4
159.11693	5.2
161.13235	9.1
163.03911	3.0
163.14830	26.5
171.11684	2.4
173.13239	4.8
175.14827	4.0
177.16379	6.8
182.15419	6.4
183.11659	2.5
185.13246	2.2
187.14839	3.0
189.16360	3.7
191.17969	5.0
195.17450	3.4
209.16464	2.6
209.18930	2.8
210.14919	4.7
217.19550	3.4
221.18892	2.2
235.20459	2.6
259.09494	2.3
273.25742	3.5
276.72821	3.2
285.13153	2.0
289.25168	6.3
291.26819	73.1
292.27124	2.3
303.26801	2.3
315.26675	3.0
343.30597	3.9
399.28955	2.0
417.30246	3.4
447.19186	1.8
454.22430	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	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05508	27.7
57.07057	10.8
67.05502	42.3
69.07062	45.4
69.49271	13.0
69.49693	32.5
79.05489	25.0
81.07055	93.5
83.08615	16.3
85.06529	16.3
89.62307	4.2
91.05496	32.9
93.07047	49.1
95.04971	7.6
95.08604	100.0
97.10172	9.4
98.20755	6.8
105.07033	60.9
107.08607	56.9
109.10153	70.3
111.11739	5.6
117.07022	25.1
119.08579	49.8
120.37104	4.7
121.10105	27.6
123.11713	21.5
128.06233	6.7
129.06996	20.6
131.08540	28.6
133.10149	32.3
135.11720	33.8
137.13246	18.4
142.07770	17.9
143.08533	29.6
145.10097	31.0
147.11671	26.7
149.05916	6.3
149.13242	27.2
155.08539	21.1
157.10120	25.6
159.11707	39.2
161.09634	6.7
161.13258	20.4
163.11211	5.1
163.14806	8.4
165.06990	5.7
167.08618	6.0
169.10133	26.1
171.11714	19.4
173.09673	5.2
173.13263	13.1
175.07475	6.9
175.11172	27.2
181.10129	20.7
183.11690	21.8
185.13199	6.7
187.14819	7.2
189.09145	5.5
189.16452	9.8
193.10144	7.8
195.11732	24.5
197.13258	22.6
199.14799	8.0
201.40532	4.7
209.13251	14.2
209.66142	5.8
211.14867	9.7
213.12813	7.5
213.16484	6.1
215.18050	5.5
221.13371	4.8
223.14760	13.3
225.16298	6.1
227.98053	4.9
229.12206	10.1
229.19412	6.5
235.14702	7.0
237.16405	9.2
241.15933	8.0
249.16516	9.8
251.18045	6.4
255.17508	9.0
265.19342	6.2
281.18970	7.7
305.22586	5.5
323.23474	6.7
347.27338	7.1
369.24240	6.3
387.30368	14.1
393.27682	14.3
405.31519	66.4
423.32355	11.4
433.31070	38.4
451.32098	80.1
452.32373	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	452.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.4
62.05022	3.1
67.05482	2.9
69.07079	4.0
69.66238	25.7
79.05499	16.8
81.07063	5.7
91.05468	8.5
95.05007	3.0
97.06544	11.7
98.20786	5.9
101.46911	2.7
105.07009	5.9
107.04945	30.7
115.05483	5.3
121.06471	4.0
123.04401	5.2
124.05290	4.1
128.06171	3.2
129.07033	20.0
131.08557	25.5
132.05717	3.1
141.07019	6.2
143.08519	3.8
144.05722	8.1
148.64053	3.2
152.04678	3.5
157.06471	5.5
159.08035	34.8
161.05994	5.3
161.09627	10.4
166.06102	3.2
167.07053	100.0
168.07422	3.8
169.07640	4.0
169.10110	3.3
170.07329	5.0
181.08566	15.5
187.07549	60.1
189.09206	15.0
204.07822	36.3
205.22998	2.9
216.07722	3.1
219.10133	62.5
221.11769	11.1
223.09732	3.3
229.12160	3.5
231.10176	29.0
247.08658	3.7
249.11246	9.7
278.09274	5.5
279.10251	3.7
293.11728	6.3
299.09073	5.3
321.11258	6.0
353.13794	7.7
360.82391	3.4
373.16373	3.6
385.16342	22.9
418.45364	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	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05501	10.6
57.07055	5.4
65.03930	3.5
67.05503	29.4
69.07062	15.4
71.65005	4.2
79.05498	16.9
81.07055	62.9
83.08616	9.4
85.06526	7.7
91.05460	15.3
93.07035	26.1
95.04937	3.8
95.08029	4.6
95.08598	44.3
95.09159	3.9
97.06484	4.2
97.10174	3.3
98.82133	2.3
105.07021	33.7
107.08575	26.9
109.06538	3.9
109.10152	100.0
109.22502	2.1
111.11739	3.1
117.07013	5.3
119.08566	25.1
121.10125	21.3
123.11697	13.5
129.06989	4.1
129.83063	2.4
131.08571	15.2
133.10100	18.6
135.11682	16.5
135.66679	2.7
137.13200	12.3
141.06995	3.9
142.07782	7.4
143.08534	14.7
145.06421	3.2
145.10106	15.2
147.08032	2.9
147.11656	17.7
149.13271	8.9
155.08549	8.8
157.10114	19.5
159.08058	3.6
159.11676	23.5
161.09555	4.9
161.13254	7.7
163.11157	3.0
163.14870	3.7
169.08916	2.8
169.10101	14.0
171.11668	10.8
173.09557	3.2
173.13292	7.3
175.11156	17.4
175.14853	4.1
177.12805	6.8
177.16376	4.0
181.10149	4.7
183.11700	9.3
185.13251	9.2
187.11177	4.3
187.14888	4.3
193.10158	3.5
193.12210	4.2
195.11708	5.7
197.13220	8.0
199.11105	3.8
199.14836	6.1
201.12793	3.7
201.16466	3.8
203.17995	3.0
207.11719	4.5
209.13300	8.9
211.14807	5.5
213.16331	3.6
215.14189	2.3
215.18066	3.1
216.68004	2.5
223.14803	5.3
225.16360	5.7
227.14369	3.0
229.12238	4.8
229.15874	3.1
229.19600	4.9
233.13133	2.3
237.16489	4.7
239.14522	2.5
239.17992	5.1
239.60832	2.6
241.19485	4.6
249.16306	3.3
251.14374	2.9
251.17946	6.4
253.19620	4.9
255.17561	2.6
257.19046	6.9
259.20706	7.1
265.19479	4.4
267.17523	2.8
269.18918	3.3
274.98602	2.7
277.19406	3.3
281.19089	4.8
283.20490	2.9
297.22833	2.7
299.20010	3.7
317.22702	3.1
319.24033	3.5
325.21481	4.2
347.27328	4.3
375.57739	2.5
387.30588	5.1
393.27878	3.6
405.31699	18.8
415.30026	10.6
433.30917	39.5
434.31927	2.6
451.32092	82.9
452.32562	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	451.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.05507	15.5
57.07069	6.8
59.90833	2.7
62.31345	2.0
65.03922	3.9
67.05506	39.6
69.07067	37.6
69.63735	15.3
71.04987	4.0
79.05489	26.6
81.07058	88.7
83.04966	2.9
83.08617	15.3
85.06530	10.8
88.72731	2.3
91.05476	37.3
93.07041	56.8
95.04971	7.2
95.08607	93.3
96.22720	2.1
96.68925	2.5
97.06512	3.4
97.10157	2.3
101.14653	2.5
105.07028	60.1
107.04944	3.3
107.08591	45.2
107.68188	2.5
109.06530	3.3
109.10154	59.9
111.08097	2.6
111.11715	8.1
115.05442	3.1
117.07009	22.5
119.04932	2.1
119.08592	42.5
121.06479	3.6
121.10142	30.7
123.11687	22.6
125.06058	3.6
128.06190	4.2
129.07033	11.8
131.08566	33.0
133.10133	32.9
135.04413	6.6
135.08078	4.4
135.11710	27.5
137.13245	20.9
141.06944	5.3
142.07770	13.8
143.08568	25.4
144.09357	4.6
145.06467	2.9
145.10139	43.3
147.08032	6.2
147.11681	30.0
149.05995	4.6
149.09572	2.3
149.13243	27.6
151.14854	3.4
152.25519	2.6
155.08578	16.5
157.10138	38.6
159.08083	3.4
159.11696	44.5
161.05937	4.0
161.09615	6.1
161.13237	14.6
163.07549	2.9
163.11296	3.5
163.14786	12.5
167.08623	4.7
169.10098	20.3
171.08151	2.6
171.11694	16.5
173.09656	3.2
173.13263	14.1
175.07477	3.8
175.11195	25.9
175.14832	7.3
177.09068	3.9
177.12750	14.4
179.08524	3.3
180.09346	3.0
181.10172	10.1
182.10950	3.3
183.11713	16.0
185.13182	12.3
187.11191	3.0
187.14845	6.7
189.09108	8.8
189.16409	9.1
191.10693	6.9
193.10077	3.9
193.12152	2.8
194.10931	2.6
195.11766	14.7
197.09625	2.6
197.13271	16.0
199.11287	2.6
199.14833	7.2
201.12752	3.0
201.16397	4.7
203.10768	3.0
203.17918	6.6
207.11653	6.0
209.13246	13.9
211.14845	8.1
213.12752	3.8
213.16405	8.7
221.13245	4.3
223.11031	3.9
223.14873	12.2
225.12732	2.6
225.16415	7.5
227.14320	2.4
227.17955	3.6
229.12263	10.1
229.19586	14.4
235.14813	5.5
237.16400	12.7
239.14294	3.0
239.17934	5.7
240.56232	2.5
241.15974	4.5
247.13234	3.2
249.16458	6.6
251.18053	4.9
253.15892	3.2
255.17387	5.9
257.15414	2.9
257.19028	3.0
259.57919	2.2
263.17932	7.4
265.19595	5.7
267.17477	6.7
269.15125	3.4
269.19244	3.4
273.18478	6.7
275.20218	2.7
279.21185	3.9
281.18997	6.1
282.80170	2.4
283.16907	5.3
283.20306	3.1
283.94739	2.1
285.18466	3.6
291.21127	4.5
295.20493	3.4
297.18655	4.0
299.19980	2.7
305.22717	2.6
307.24146	3.3
309.18552	3.4
309.22159	2.6
311.20398	2.5
315.19644	4.4
323.19958	3.8
323.23557	5.2
327.19589	2.5
329.21088	3.6
341.21194	3.2
347.27328	9.0
351.23199	4.5
369.24240	3.8
377.32043	2.7
387.30435	14.9
389.32101	7.1
393.27859	10.0
395.25748	3.0
405.31577	67.1
405.36966	3.8
406.31464	3.5
407.32858	3.6
415.29929	5.2
423.32483	7.7
433.31033	41.4
434.31314	3.6
451.32077	100.0
452.32724	5.0
464.54715	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	451.321
Annotation	Erythrophyllic acid
Peak:m/z	Relative Intensity
52.15486	2.0
53.03939	2.8
55.05512	16.8
57.07075	12.3
61.96459	1.7
65.03920	3.1
67.05507	44.7
69.06729	3.0
69.07070	40.8
69.58771	17.0
71.04993	5.1
79.05494	24.4
81.07058	100.0
83.04964	2.4
83.08620	13.2
85.06558	18.7
91.05060	1.9
91.05492	21.6
93.06482	2.9
93.07047	45.9
95.04961	6.2
95.08608	76.9
96.08986	1.9
97.06528	4.8
97.10179	6.6
99.08090	2.2
105.07037	48.3
107.08594	47.7
109.06499	4.1
109.10156	84.6
110.10484	2.6
111.08035	2.3
111.11720	5.8
115.05435	2.2
117.07037	11.9
119.08590	40.4
121.06544	2.2
121.09332	2.2
121.10150	29.0
123.11718	36.5
125.05939	2.7
128.06204	3.5
129.06982	8.4
131.08568	25.2
132.08885	2.2
133.06505	2.9
133.10127	30.4
134.08025	1.9
135.08064	3.3
135.11691	31.3
137.05896	2.1
137.09593	2.3
137.13260	29.7
139.07510	2.1
141.06987	3.5
142.07819	10.8
143.08551	19.1
144.08102	3.9
145.06497	2.9
145.10130	26.9
147.08035	3.7
147.11690	19.8
149.06018	3.2
149.09674	2.8
149.13264	17.7
151.07523	2.4
151.11241	3.5
153.09131	2.1
154.07762	2.2
155.08546	12.4
156.09331	3.2
157.10123	33.7
158.10597	2.1
159.08058	5.8
159.11707	40.7
161.09621	6.0
161.13275	15.4
163.11183	4.9
163.14825	6.3
165.07056	2.1
165.09137	2.2
167.08591	3.7
168.09357	4.0
169.10149	17.1
171.08054	2.5
171.11681	17.2
173.05984	2.2
173.09650	4.6
173.13242	14.4
175.11183	20.5
175.14836	7.5
177.08989	2.4
177.12755	11.3
177.16432	3.1
179.08517	3.2
179.10738	2.5
180.09343	3.2
181.10188	7.6
182.10933	2.8
183.11684	21.5
185.09651	3.8
185.13210	12.0
187.11209	6.7
187.14868	10.5
189.09258	3.8
189.12743	3.6
189.16359	4.4
191.17937	2.6
193.10162	5.8
193.12077	1.8
194.10805	3.5
195.11722	12.7
196.12581	2.5
197.13252	13.7
198.13756	1.9
199.11183	4.8
199.14827	7.6
201.09096	2.2
201.12770	5.2
201.16417	5.9
203.10640	2.5
203.18002	5.9
205.81544	1.8
206.11076	2.1
207.11745	3.7
208.12492	3.1
209.13255	17.7
211.14828	12.9
213.12811	4.8
213.16353	5.5
215.10725	3.2
215.14374	4.2
215.17860	3.8
219.13770	2.2
221.13269	4.5
222.13988	2.4
223.14819	15.3
225.12871	2.4
225.16348	10.2
227.14328	5.0
227.17990	6.1
229.12289	9.3
229.15897	2.7
229.19492	10.6
231.21136	3.8
234.13846	2.4
235.14673	4.5
237.16444	10.3
239.14363	3.4
239.17978	6.9
241.15794	4.4
241.19682	4.7
243.13835	2.8
243.17557	2.6
249.16385	7.2
251.18028	8.6
253.15964	2.7
253.19499	4.6
255.13786	3.5
255.17513	4.1
255.21056	2.7
255.75551	1.9
257.15311	2.3
257.19092	8.7
261.16562	3.3
263.18051	9.2
265.19556	8.5
267.17438	4.5
267.21228	2.3
269.15701	2.1
269.19043	9.5
273.18591	5.3
275.20236	3.4
277.19470	3.5
279.21075	5.4
281.18887	9.2
283.17133	3.0
283.20544	4.1
285.18564	3.3
291.21030	4.9
295.17044	2.6
295.20673	5.1
297.18579	5.8
297.21970	2.6
305.22604	2.6
307.20663	3.2
307.24228	2.7
309.18457	4.1
309.22116	2.5
311.20169	2.7
313.17926	2.6
315.19540	3.5
319.23920	2.8
321.25824	2.4
323.23672	4.3
325.21274	2.9
327.19571	2.6
331.24176	3.9
347.27316	8.4
349.25015	2.9
349.28745	2.4
351.22910	2.3
355.22974	2.6
377.24762	2.3
387.30261	10.9
389.32126	5.9
393.27902	8.4
395.25778	5.4
405.26630	3.3
405.31567	48.4
406.31723	2.3
407.33102	6.4
409.31064	2.6
415.29953	5.8
423.32434	7.3
433.31061	45.3
434.31473	2.5
451.32040	84.8
452.32486	3.8
462.90900	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	451.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.7
55.01870	10.6
55.05500	12.4
56.96555	10.3
57.03421	8.2
60.04524	6.7
67.05495	17.6
68.05502	4.7
69.03418	18.5
69.07062	6.6
70.06595	54.8
70.45921	5.8
71.04988	13.1
71.21279	9.6
71.21642	12.0
72.08159	25.3
75.31634	5.7
77.61806	6.5
79.05469	14.7
80.88807	5.4
81.03398	14.8
81.07054	98.3
83.04977	8.0
83.08609	15.5
84.04514	8.0
84.08137	17.7
85.02895	36.8
86.09682	13.1
87.04464	10.7
91.05492	17.5
93.07027	22.4
95.04961	12.8
95.08600	39.5
97.02881	57.3
97.06512	11.6
98.97616	6.0
99.08088	17.3
104.35863	5.2
105.07038	38.8
107.04983	6.8
107.08575	23.3
109.02862	18.2
109.06503	9.3
109.10153	7.4
110.07188	6.7
111.04371	7.9
111.08087	11.2
112.08742	11.2
117.07008	16.3
119.08575	33.3
120.08082	11.2
121.10114	12.9
123.08080	43.5
125.05960	7.4
126.07838	6.2
127.03892	21.0
127.07513	9.3
129.10236	14.6
131.08557	13.4
133.04990	12.7
133.10143	19.9
135.04398	6.7
135.08012	5.9
135.11649	8.4
137.05971	12.0
143.08530	6.1
145.04909	6.2
145.08594	26.8
145.10048	14.9
147.04385	9.6
147.11659	12.5
149.13216	6.9
151.07518	44.2
153.09131	8.6
154.04965	16.0
157.04965	9.1
157.10086	19.1
159.11691	100.0
161.09576	7.1
161.13258	26.7
163.03935	21.4
167.07104	10.5
169.08658	10.3
171.11642	5.7
175.06027	19.9
175.09686	14.9
175.11168	8.1
175.14818	14.3
177.12744	39.3
187.09653	14.5
189.16393	19.7
199.14801	26.7
215.07027	12.4
216.76154	5.3
217.15906	49.2
235.14616	8.3
235.16902	69.1
253.17953	38.8
259.09525	13.5
271.11874	7.4
283.11728	10.7
289.11917	10.0
406.85434	6.5
451.16183	11.9
451.26782	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	451.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01870	6.2
55.05501	6.1
57.03443	4.1
65.03948	3.2
67.05486	9.6
69.03417	10.4
69.07058	9.3
70.06580	8.5
71.04981	6.5
71.63889	5.0
72.08147	3.8
77.23038	2.2
79.05488	11.6
81.03403	4.4
81.07047	35.8
83.04967	6.1
85.02900	20.9
86.09698	10.6
87.00816	3.1
91.05480	10.3
93.07043	12.5
95.04961	11.9
95.08592	16.5
97.02874	9.9
97.06520	30.9
105.01882	5.7
105.07037	14.5
107.08592	13.0
109.02924	4.2
109.06490	6.6
109.10159	6.7
111.04433	5.6
115.03926	2.7
115.05415	4.0
117.06932	2.9
119.08569	16.8
120.08101	6.1
121.02866	3.1
121.10153	7.9
123.04457	7.0
123.11726	4.8
127.03892	8.0
129.06943	3.3
131.08557	7.1
133.10133	9.2
135.04457	4.0
136.07594	3.6
137.05974	6.6
138.09204	3.0
139.03935	3.9
141.06960	6.7
143.08542	6.1
144.05710	4.1
145.04918	4.0
145.10153	3.1
147.04434	6.9
147.11726	5.1
149.13243	4.5
151.11121	3.1
157.10132	9.4
159.04453	6.6
159.08102	3.8
159.11676	16.6
161.05980	7.9
161.09593	3.6
161.13245	7.6
163.03848	12.8
164.07066	3.7
167.07149	4.1
167.08572	12.5
169.06493	15.4
169.12198	20.3
171.08070	2.6
173.02371	8.0
173.05940	5.0
174.06747	3.7
175.03920	5.5
175.07509	8.9
177.12744	11.7
179.14319	4.9
181.04922	4.1
187.07564	17.1
187.13289	4.7
189.09167	7.2
189.12721	3.8
189.16368	24.3
191.06955	6.7
195.08046	16.7
197.05980	11.5
197.09729	4.3
198.06709	5.5
199.14844	9.3
200.04767	16.1
203.06978	3.5
207.17580	3.5
211.07590	3.6
213.09131	29.3
214.09712	3.0
215.07004	53.6
215.10422	2.8
216.07440	4.7
217.15875	28.1
223.07520	6.0
231.10168	14.2
235.16920	38.2
241.08531	16.4
253.17949	6.0
259.09656	100.0
259.12305	6.4
260.10257	8.8
271.19116	6.3
277.10721	5.9
287.05515	8.3
289.06110	4.1
315.17087	2.9
318.99829	3.2
391.08368	5.4
433.15631	3.2
451.09979	5.5
451.15805	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	451.2537
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
50.11074	6.3
52.87765	6.4
55.22109	6.3
58.05919	6.1
59.82529	6.4
61.08610	6.2
69.03404	8.6
69.07035	6.5
70.45999	27.6
81.07059	32.2
83.08609	7.6
85.02895	26.6
89.75931	5.8
91.05452	6.4
93.07042	18.6
95.04993	10.7
95.08613	20.9
97.02883	14.8
105.07011	33.2
109.06490	10.3
109.10154	7.7
117.06961	6.3
119.08564	26.2
121.10119	17.2
131.08585	14.3
133.10101	13.5
134.81380	5.9
143.08522	9.0
145.05000	8.4
145.10075	8.7
147.04420	14.0
147.11685	9.7
151.07503	9.3
157.10120	23.7
159.11700	72.4
161.13214	44.3
167.07011	12.3
168.07343	13.6
177.12721	13.4
189.16394	17.2
199.14845	25.0
217.15881	81.6
224.07268	7.3
235.16924	100.0
253.17984	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	451.2534
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
53.03957	4.3
53.40660	3.8
55.01860	7.8
57.03411	6.1
66.30711	4.4
67.05499	9.5
69.03420	15.8
69.07050	7.4
70.06590	5.7
70.45777	7.3
70.46169	8.5
72.08138	11.4
75.04440	4.4
79.05489	16.9
79.52454	4.3
81.03391	5.3
81.07047	38.0
83.04990	5.3
83.08643	4.8
85.02909	27.8
85.06551	4.8
86.09692	12.7
91.05461	16.6
93.07053	26.1
95.04939	10.7
95.08606	22.4
97.02882	10.8
97.06528	9.2
98.21414	3.9
99.08942	3.8
105.07030	29.1
107.04919	4.4
107.08567	20.7
109.02840	6.0
109.06495	4.3
109.10150	16.3
115.03960	4.7
117.06986	8.6
119.04911	4.4
119.08548	26.6
120.08125	7.6
121.06496	35.8
121.10126	12.7
122.06848	14.2
127.03875	7.1
129.10170	4.4
131.08519	16.6
133.10127	20.6
135.04451	6.0
135.11705	13.0
136.03915	4.5
136.07596	7.3
137.05984	9.0
141.07085	4.8
143.08568	10.2
144.05573	5.6
145.04962	7.6
145.10114	6.3
147.11705	8.4
153.09087	7.4
157.04907	5.2
157.10063	28.3
159.11687	100.0
161.09674	8.8
161.13232	30.3
163.03922	9.6
165.05493	5.1
167.07033	31.6
167.08307	6.6
171.11694	5.2
171.82368	4.2
173.13156	6.2
175.14893	5.2
177.12759	23.5
181.04948	11.0
187.07512	6.8
189.09065	6.9
189.16321	22.7
191.07088	5.3
193.05025	5.5
195.06509	8.2
195.18117	4.5
199.14851	36.3
213.09175	4.5
215.06966	22.9
217.08765	6.0
217.15833	75.5
225.07622	9.8
235.16920	73.6
253.17986	50.7
259.09576	26.7
319.04407	5.4
451.15884	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	451.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.8
55.01877	3.4
55.05508	9.5
56.05030	0.8
57.03434	1.8
59.04993	0.9
63.95650	0.7
67.01890	0.8
67.05499	2.3
69.03429	12.8
69.07066	5.3
70.06580	2.5
71.01344	2.5
71.04998	3.9
71.63300	1.0
72.08150	2.2
79.05491	2.0
81.03421	11.7
81.07058	8.5
83.01303	0.7
83.04982	1.5
83.08617	24.4
83.09115	1.2
84.08150	2.8
85.02908	12.6
86.09695	2.6
87.04464	1.9
91.05493	2.5
93.07032	3.2
95.04968	1.5
95.08628	4.8
97.02891	100.0
97.06545	1.2
99.04426	4.7
99.08093	2.3
99.95310	0.7
103.05461	0.7
105.07010	1.4
107.04967	1.9
107.08572	1.0
109.02881	13.7
109.06541	0.7
110.07136	0.9
111.04501	0.9
111.08078	8.5
115.03916	1.3
120.08088	2.5
121.06456	0.9
123.08069	6.1
127.03923	20.2
127.07562	2.6
129.05493	1.4
129.09113	1.9
129.10136	1.0
133.04955	1.5
136.07597	2.2
137.05965	2.9
139.03883	0.7
139.07544	2.2
145.04939	4.8
145.08636	3.5
147.04416	1.9
151.07529	4.6
157.04994	1.0
157.08588	3.7
161.05966	0.8
163.03934	1.5
163.07495	0.8
164.07011	0.7
167.07004	0.7
169.08759	1.2
175.06044	3.0
175.09665	25.1
176.10100	0.8
187.09773	1.0
189.09012	1.0
191.07106	0.7
213.09206	0.8
215.07079	2.4
218.07251	0.7
225.11194	1.4
236.17616	0.7
241.10748	0.9
243.12312	3.4
243.14803	1.5
259.09634	3.5
265.10742	2.2
271.11792	12.0
271.14496	3.1
283.11780	3.8
289.15372	5.0
301.12643	1.5
451.16171	2.7
479.79068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01859	3.6
55.05508	9.6
57.03436	8.7
58.52115	1.5
59.04993	2.2
61.02921	3.6
62.46951	1.3
66.87996	1.6
67.05499	10.6
68.40921	1.5
69.03427	12.3
69.07055	6.5
69.86198	7.3
70.06600	4.2
71.04993	11.3
72.08151	5.2
75.93584	1.6
79.05498	10.3
81.03421	5.7
81.07056	100.0
83.08621	15.2
85.02905	9.8
85.06551	2.4
86.09698	3.1
87.04472	19.7
91.05463	3.8
93.07030	3.8
95.04961	5.1
95.08604	44.3
97.02887	31.8
97.06536	3.5
99.08088	24.9
105.05482	2.8
105.07033	5.3
107.04958	3.2
109.02877	6.5
109.06491	5.6
109.13234	1.5
111.08098	6.2
115.03925	4.6
120.08103	5.3
123.08068	66.7
125.05996	9.2
127.03922	12.3
127.07562	27.5
129.05476	12.9
133.04962	15.4
133.06488	4.0
136.07550	4.3
137.05969	3.5
139.03833	1.5
139.07556	1.9
140.07066	2.1
141.09123	9.5
145.04956	2.7
145.08586	37.2
147.04405	3.2
147.06505	3.5
151.04050	2.1
151.06252	3.5
151.07542	76.1
152.97079	1.5
157.04951	10.9
157.08615	3.8
159.08127	1.4
161.05888	1.7
164.07101	3.4
169.05013	4.7
169.08617	13.1
175.03792	1.6
175.06033	37.4
175.07388	1.9
175.09598	11.9
182.08107	3.7
185.08072	1.9
187.09653	11.8
191.06995	1.8
215.07025	4.9
215.11829	1.6
241.10689	4.6
243.12527	1.7
243.14890	7.6
255.12303	2.6
259.09592	4.0
259.11914	7.5
265.10706	18.1
271.11722	6.0
271.14481	8.1
283.11777	25.3
284.81964	1.5
289.15402	10.4
301.12845	3.5
397.62378	1.6
451.15933	4.1
451.21442	3.2
453.31635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48423	0.7
55.01862	2.2
55.05493	1.0
57.03428	0.8
67.05484	2.9
69.03406	1.2
69.06676	1.0
69.07062	17.3
70.75704	1.7
71.04971	0.8
79.05490	6.7
81.03458	0.8
81.07068	1.3
83.04976	1.7
87.45338	0.7
88.43532	0.8
89.03924	5.2
91.05457	1.5
93.07051	1.7
95.04961	2.0
95.08549	0.9
97.02855	1.0
97.05914	1.7
97.06528	26.0
107.04943	2.1
107.08565	1.3
109.06549	1.3
109.10130	1.2
113.24643	0.8
116.44574	0.8
117.03373	7.6
133.02853	0.9
134.03615	3.0
135.04411	16.5
137.05959	1.1
145.02856	12.2
161.02330	1.1
162.03073	1.0
163.03899	100.0
164.04185	2.4
167.08507	0.9
181.04913	1.4
190.73866	0.7
217.04916	1.3
241.08629	2.4
259.09647	86.5
260.09863	2.1
451.17178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.8
55.01877	3.4
55.05508	9.5
56.05030	0.8
57.03434	1.8
59.04993	0.9
63.95650	0.7
67.01890	0.8
67.05499	2.3
69.03429	12.8
69.07066	5.3
70.06580	2.5
71.01344	2.5
71.04998	3.9
71.63300	1.0
72.08150	2.2
79.05491	2.0
81.03421	11.7
81.07058	8.5
83.01303	0.7
83.04982	1.5
83.08617	24.4
83.09115	1.2
84.08150	2.8
85.02908	12.6
86.09695	2.6
87.04464	1.9
91.05493	2.5
93.07032	3.2
95.04968	1.5
95.08628	4.8
97.02891	100.0
97.06545	1.2
99.04426	4.7
99.08093	2.3
99.95310	0.7
103.05461	0.7
105.07010	1.4
107.04967	1.9
107.08572	1.0
109.02881	13.7
109.06541	0.7
110.07136	0.9
111.04501	0.9
111.08078	8.5
115.03916	1.3
120.08088	2.5
121.06456	0.9
123.08069	6.1
127.03923	20.2
127.07562	2.6
129.05493	1.4
129.09113	1.9
129.10136	1.0
133.04955	1.5
136.07597	2.2
137.05965	2.9
139.03883	0.7
139.07544	2.2
145.04939	4.8
145.08636	3.5
147.04416	1.9
151.07529	4.6
157.04994	1.0
157.08588	3.7
161.05966	0.8
163.03934	1.5
163.07495	0.8
164.07011	0.7
167.07004	0.7
169.08759	1.2
175.06044	3.0
175.09665	25.1
176.10100	0.8
187.09773	1.0
189.09012	1.0
191.07106	0.7
213.09206	0.8
215.07079	2.4
218.07251	0.7
225.11194	1.4
236.17616	0.7
241.10748	0.9
243.12312	3.4
243.14803	1.5
259.09634	3.5
265.10742	2.2
271.11792	12.0
271.14496	3.1
283.11780	3.8
289.15372	5.0
301.12643	1.5
451.16171	2.7
479.79068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01852	2.1
57.03415	1.5
67.05481	2.8
69.03415	1.7
69.07063	11.6
70.73500	3.8
70.73892	1.2
79.05490	8.9
81.07027	1.7
85.02891	1.7
89.03884	2.8
93.07013	1.0
95.04948	2.2
97.06525	76.5
107.04969	1.8
108.28928	0.9
111.04414	1.5
117.03386	3.2
126.23053	0.9
133.02831	2.6
134.03596	2.0
135.04413	8.1
137.05899	1.2
145.02829	7.3
159.04387	3.8
161.02354	14.6
163.02518	2.3
163.03891	46.4
173.02333	27.5
185.06035	1.9
187.07632	1.1
191.03323	1.3
197.06039	1.1
215.07011	36.3
216.07329	1.3
226.35312	1.1
233.08025	1.2
259.09653	100.0
260.09970	5.1
282.33401	1.0
391.17722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03418	1.3
65.03947	0.8
67.05504	3.2
69.03423	1.5
69.07066	9.1
69.97511	2.3
69.97905	2.5
79.05494	9.9
80.12563	0.9
81.03413	1.7
81.07069	2.2
89.03921	2.6
91.05472	1.1
93.07015	1.8
95.04955	2.3
95.08594	1.6
97.02892	1.4
97.06526	71.3
97.10154	0.9
98.21416	1.5
105.07030	2.6
107.04929	1.3
117.03381	1.9
119.08620	1.5
123.04480	1.2
133.02824	2.3
135.04431	6.0
135.05264	1.0
137.05911	1.1
145.02815	3.6
147.11658	1.0
159.04414	3.7
161.02324	12.6
163.03902	33.3
167.07030	4.1
173.02335	23.0
181.05032	1.3
185.06042	1.3
187.07498	1.1
191.03429	1.8
215.07030	35.4
215.09116	1.7
259.09656	100.0
260.09900	2.5
264.82489	1.0
289.10831	1.0
298.18661	0.9
339.92593	1.0
478.72397	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01865	2.5
55.05505	1.3
56.05035	0.9
57.03436	4.8
61.02925	5.0
65.03929	2.2
69.03426	14.6
69.70808	3.9
69.71219	2.4
70.06587	5.5
70.45148	0.8
71.04987	2.1
72.08147	2.7
73.02912	2.0
75.20386	1.0
81.03412	6.8
81.07026	1.6
83.01364	0.9
83.04997	1.1
84.04504	1.2
84.08142	1.7
85.00908	0.9
85.02902	66.4
86.09708	1.7
87.04490	1.4
91.03943	3.7
91.05477	100.0
92.05795	1.0
95.04949	1.1
97.02267	2.0
97.02890	36.6
97.97002	0.8
99.04463	2.8
99.43628	1.0
105.07023	2.2
107.04936	6.6
109.02876	7.4
110.07146	1.0
115.03978	4.3
117.07074	1.0
119.04911	1.0
120.08092	0.9
125.05983	2.7
127.03909	18.3
129.06923	1.0
129.10251	1.4
131.08482	0.9
133.06500	1.3
135.04346	1.3
137.05984	5.3
143.03377	1.6
144.06454	1.0
145.04948	30.1
145.06464	2.8
147.04437	1.2
153.05440	3.4
154.06255	0.9
156.10225	1.2
159.08136	0.9
161.04500	2.2
161.05899	1.0
163.03893	1.8
163.06030	9.4
175.07538	1.4
175.09651	1.1
176.07063	1.0
177.05464	1.3
177.59747	0.8
179.07091	1.2
184.42924	0.8
185.08133	7.0
188.22565	0.9
188.40282	1.0
189.09137	1.1
195.06483	1.5
217.08638	4.1
234.03929	0.9
235.09711	2.6
253.10750	3.7
258.08411	1.7
271.11923	1.3
276.09546	0.9
288.12311	2.3
394.46109	0.9
450.17648	4.6
451.16223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.6
55.05508	3.2
57.03439	21.0
58.06594	5.9
59.04998	5.4
60.04509	3.8
60.15906	2.4
61.02918	9.2
67.05496	3.2
69.03074	4.4
69.03429	68.7
70.06595	17.8
70.77882	5.7
70.78250	6.1
71.01379	3.0
71.04980	3.0
72.08143	6.0
73.02904	4.6
75.04494	3.8
81.03407	10.7
81.07066	5.1
83.05005	3.9
83.08598	3.2
84.04497	5.4
84.08128	8.2
85.02900	100.0
86.09682	4.3
87.04465	39.7
88.93653	3.0
91.05473	54.7
93.07018	3.0
93.40334	2.5
95.04961	5.7
96.08134	3.3
97.02892	73.9
99.04441	7.7
102.05508	2.7
105.07007	3.5
107.04954	23.9
109.02855	10.2
110.07157	3.9
111.04453	4.4
115.03151	4.4
115.03925	60.0
117.07026	3.6
120.08083	8.2
121.02797	3.3
121.06510	36.0
123.04395	5.2
124.07590	11.2
125.06037	3.1
127.03918	20.9
129.10271	6.9
131.04941	2.8
131.08546	2.9
133.04955	65.3
135.04439	3.7
137.05965	8.1
139.03856	5.3
145.04956	30.3
145.06465	26.4
147.04468	4.1
149.05978	2.9
150.07596	10.4
151.07413	4.9
153.05484	6.9
159.04333	3.3
163.03938	14.6
163.06024	29.6
163.07541	15.8
169.04959	2.7
175.06152	3.5
175.07564	12.1
176.07059	4.1
177.05467	6.9
179.06906	3.2
185.08078	13.7
187.07538	10.0
189.09154	3.1
194.71854	2.8
205.08623	8.9
215.07079	2.6
217.05685	2.4
217.08540	12.8
227.05367	3.4
229.08578	6.3
235.09610	6.1
247.09552	3.4
252.97888	3.5
256.09821	3.4
265.10446	4.2
271.09631	9.3
287.05481	19.5
288.05798	44.3
288.12259	9.9
433.12952	9.6
450.16852	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	449.305
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
53.03921	1.8
55.05511	9.5
57.07084	4.2
60.82025	1.8
63.55856	1.8
63.61347	1.9
67.05502	17.2
69.07056	11.8
69.85736	13.9
79.05492	14.4
81.07055	51.6
83.08623	3.8
83.36049	1.8
85.06538	4.0
88.68220	2.1
91.05488	24.8
93.07043	36.6
95.04979	3.8
95.08605	36.8
97.06522	3.2
99.08096	2.4
101.36127	1.9
103.05458	3.0
105.07034	61.6
107.08595	51.4
109.06522	2.9
109.10156	28.3
115.05462	6.6
117.07030	19.3
119.08583	56.8
121.06528	3.9
121.10146	28.2
123.08095	2.3
123.11720	15.1
128.06232	7.8
129.07021	11.0
130.07784	5.2
131.08569	36.8
133.06491	4.2
133.10130	26.5
135.08043	4.2
135.11711	7.9
141.07014	5.0
142.07776	13.5
143.08565	34.0
144.09344	6.6
145.06519	5.0
145.10121	88.5
147.08067	4.3
147.11697	39.3
147.12798	3.8
149.09677	2.5
149.13260	7.0
153.06906	2.2
155.08560	9.5
156.09358	7.4
157.10130	37.0
158.10938	3.7
159.08078	4.9
159.11693	72.1
161.06059	2.2
161.09616	6.3
161.13257	13.8
163.11157	4.0
163.14845	4.8
167.08511	3.9
168.09363	6.4
169.10115	14.2
170.11008	2.6
171.08122	4.7
171.11703	21.4
173.05972	4.9
173.09656	6.6
173.13298	20.3
175.07564	5.7
175.11211	5.6
175.14839	7.4
179.08722	2.2
181.10144	6.4
182.10895	3.0
183.11708	24.0
185.13283	23.1
187.07532	5.8
187.11243	7.2
187.14824	19.2
189.09149	7.0
189.12823	2.6
189.16415	5.8
193.10211	3.5
194.10953	2.2
195.11702	9.1
197.09702	2.8
197.11685	2.5
197.13226	14.1
199.11224	4.5
199.14876	13.5
201.08968	2.4
201.12772	6.9
201.16382	52.9
202.16838	3.1
203.10649	5.4
203.14410	2.6
203.17941	22.1
205.12265	2.0
207.11731	4.9
209.09697	2.0
209.13272	5.7
211.11197	5.4
211.14832	8.5
213.12872	5.8
213.16351	10.1
215.10718	5.1
215.14346	2.6
215.17874	10.1
217.12329	3.3
221.13217	2.8
223.14883	7.3
225.12692	2.2
227.10669	5.3
227.18007	3.8
229.12279	24.0
231.13824	6.9
233.13359	3.0
235.14851	3.2
237.16411	4.5
239.17856	4.3
243.13789	2.7
243.17461	2.8
247.13226	3.3
249.16368	2.6
251.17909	3.0
253.19516	2.9
263.17831	2.4
265.19565	2.6
269.15277	3.1
271.16919	2.8
275.17859	2.8
277.19708	2.9
285.18503	2.2
289.19498	3.1
309.18561	2.7
323.19989	4.0
345.25836	5.6
363.27036	2.3
375.23438	3.5
375.30679	2.9
385.29019	8.0
389.24704	2.9
391.26282	5.1
393.23999	3.9
403.30017	26.3
404.30630	2.1
405.31949	2.5
413.28519	8.8
421.30884	9.6
431.29498	56.0
432.29758	3.6
449.30548	100.0
450.30692	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	449.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39800	13.7
54.69032	14.9
56.96562	25.3
60.04527	19.2
64.86712	16.6
65.80408	14.5
67.05492	22.0
69.03412	35.5
69.07040	17.1
69.47471	77.4
69.47905	57.3
70.06566	15.5
72.08153	14.6
79.05515	21.1
81.03396	31.1
81.07040	35.4
84.04503	34.3
85.02891	55.8
86.09701	36.0
91.05468	30.0
92.36898	16.4
93.07037	37.2
95.08617	20.0
97.02888	56.9
98.97569	19.2
105.07013	32.3
107.04945	33.3
109.06465	16.0
117.07034	20.5
119.08575	37.4
121.06531	17.1
126.05505	42.4
127.03873	21.7
131.08580	39.2
133.10146	21.4
136.07515	13.5
143.08507	27.0
145.10103	32.0
147.11652	15.7
155.08571	19.7
159.11679	62.7
163.03944	28.1
164.07109	21.7
169.10135	24.9
171.11609	20.3
177.12749	22.5
182.11018	26.0
187.14784	21.9
197.13309	41.1
204.43953	15.3
215.14310	69.4
233.15369	50.5
251.16287	100.0
269.17459	58.0
283.06873	25.9
287.05579	16.6
287.15085	16.7
287.59375	14.5
449.19958	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.36362	0.5
54.60131	0.4
55.01869	1.1
55.05504	2.7
57.03430	4.8
61.02901	2.2
65.03914	0.8
67.05504	2.8
69.03419	2.4
69.07056	0.9
70.06571	1.7
71.04988	24.6
71.64890	0.6
73.02902	1.1
73.07388	0.5
75.04449	0.7
79.05479	4.3
80.61622	0.5
81.03404	1.8
81.07049	8.1
83.04964	1.6
83.08580	0.7
84.08100	0.9
85.02898	29.0
86.03210	0.7
86.09697	0.9
87.04465	1.1
91.05470	6.6
93.03420	0.7
93.07037	6.0
95.04974	2.6
95.08605	3.6
97.02872	2.2
97.06501	1.3
99.04498	0.7
105.07024	10.9
107.08590	5.4
108.79889	0.6
109.02870	2.1
109.06521	1.3
109.10126	1.0
111.00769	1.3
111.04430	1.2
115.05457	1.3
117.07015	3.3
119.08570	9.0
120.08099	0.7
121.02857	2.4
121.06501	0.7
121.10124	2.7
123.04395	1.0
123.08039	0.6
127.03902	1.8
129.05469	5.5
129.06975	2.4
130.07654	0.5
131.08546	7.0
133.06453	0.9
133.10121	3.9
135.08064	1.3
135.11662	0.7
136.07573	1.2
137.02307	4.4
141.06955	1.5
142.07814	1.3
143.08571	3.4
144.09297	1.3
145.04959	0.8
145.06448	0.7
145.10124	6.1
147.04431	0.8
147.06543	0.7
147.07983	1.2
147.11647	1.9
149.05984	0.6
149.13272	1.0
153.01819	4.4
153.09068	0.6
155.08530	3.1
157.10110	3.9
159.08038	1.4
159.11673	7.7
161.05957	0.7
161.09608	0.6
161.13246	10.6
163.11143	0.7
164.07097	0.7
165.01811	2.1
167.08604	0.7
169.10094	2.4
171.11646	1.3
173.05916	1.1
173.09563	1.3
173.13222	1.5
175.07515	1.2
175.11166	1.6
175.14857	0.8
177.09052	1.7
177.12761	1.8
182.10910	1.5
183.02861	1.6
183.04413	0.8
185.13260	2.7
187.11220	0.7
187.14807	4.0
191.03419	0.8
193.12292	0.7
197.13239	2.9
201.05499	2.1
203.14297	1.4
205.15834	0.7
215.12311	0.9
215.14296	5.0
221.15396	0.8
229.04950	4.5
229.08403	0.6
233.15370	7.3
234.99040	1.3
247.05974	0.7
251.16420	10.1
257.04492	3.4
257.08972	1.0
258.05038	0.9
269.17493	3.3
274.04684	1.1
275.09082	0.8
285.03769	1.0
287.05493	15.6
287.18542	2.3
288.05783	1.4
303.04965	100.0
304.05264	7.7
313.11624	0.8
315.05139	0.6
317.06909	1.5
345.05759	1.0
364.59476	0.6
369.05850	0.7
413.08667	1.1
431.14035	0.8
441.80441	0.6
449.10489	1.1
449.15515	4.1
450.17044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
53.57953	0.6
55.01869	1.2
55.05499	2.0
57.03438	4.6
61.02914	2.3
67.05501	4.9
68.99802	0.7
69.03416	3.0
69.07066	1.7
70.06593	3.3
71.04990	25.8
71.54303	1.3
72.05308	0.8
72.08153	1.4
74.50445	0.7
79.05495	3.9
81.03384	2.2
81.06640	0.9
81.07053	8.1
83.04970	2.5
83.55450	0.6
84.08120	1.5
85.02903	28.6
86.09674	2.4
87.04469	1.2
91.03902	1.0
91.05475	8.4
93.07043	6.7
95.04945	2.8
95.08609	5.0
97.02883	2.8
97.06522	1.9
103.05499	1.2
105.07021	13.3
107.08578	5.1
109.02876	2.7
109.06509	1.3
109.10145	2.0
111.00766	0.8
111.04433	2.0
115.05435	1.2
117.07000	4.8
119.08589	8.9
120.08076	1.5
121.02853	1.5
121.06478	0.9
121.10139	3.1
127.03907	2.3
128.06232	1.2
129.05464	6.1
129.06981	2.4
131.04840	0.9
131.08571	8.3
133.06508	0.9
133.10115	3.4
134.05962	1.0
135.08018	1.1
135.11739	1.2
136.07523	1.4
137.02336	4.0
137.05942	2.0
141.06871	0.9
142.07762	2.1
142.79138	0.7
143.08566	4.1
144.09303	1.2
145.04935	0.7
145.06450	1.1
145.10115	7.3
147.04419	1.3
147.06454	0.9
147.08063	1.3
147.11684	3.6
149.02321	0.7
153.01817	5.4
153.06958	1.0
155.08514	3.3
156.09290	1.1
157.10069	3.5
159.08069	2.0
159.11693	8.5
161.05997	1.0
161.11958	1.2
161.13243	12.9
161.59973	0.7
163.03786	1.3
165.01895	1.5
167.08585	1.2
169.10117	2.6
171.11661	0.8
173.05965	1.3
173.09631	1.5
173.13254	1.5
175.11131	1.6
177.09151	1.5
177.12733	2.2
180.43227	0.7
182.10872	1.6
183.08012	1.3
185.13283	2.2
187.14799	4.9
193.12267	1.0
197.13202	3.8
200.95364	0.7
201.05431	2.2
203.14301	1.9
204.04054	0.7
211.07466	1.2
213.10382	0.9
215.12363	0.9
215.14294	5.9
217.58685	0.7
221.15375	1.3
222.39914	0.7
229.04993	4.0
229.08310	3.4
233.15356	9.7
234.98993	0.8
251.16446	13.3
257.04367	2.1
257.08109	1.5
257.12881	0.9
269.17557	4.2
269.20166	0.8
275.09033	0.8
285.03958	1.5
285.12091	1.4
287.05487	14.4
287.18555	1.9
303.04980	100.0
304.05267	7.7
313.11832	3.0
315.05042	1.1
345.06256	1.3
402.74719	0.7
403.14951	1.5
409.01160	0.7
431.14304	1.5
449.09982	1.4
449.15424	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.02291	0.3
53.03938	0.3
56.24112	0.3
57.03422	0.3
61.02925	7.0
68.99781	0.8
69.03416	1.1
70.04621	0.5
70.05034	1.2
73.02926	1.6
78.18518	0.2
81.03398	0.4
85.02900	5.8
91.03959	3.1
95.04979	0.2
97.02887	2.5
99.04448	0.3
105.03368	0.8
107.04936	0.7
109.02842	0.7
111.00781	0.9
115.38273	0.3
121.02866	4.3
124.12685	0.2
127.03909	1.0
133.02827	0.4
135.04433	0.3
136.07668	0.2
137.02347	1.0
145.04962	0.6
145.06432	0.6
147.04393	0.6
153.01823	5.5
157.06403	0.5
165.01842	2.2
183.02908	1.3
185.06032	0.7
185.23537	0.3
192.65341	0.2
213.05450	2.2
231.06535	1.0
241.04938	1.1
243.06709	0.3
258.05240	1.4
259.05948	0.7
267.86813	0.3
287.05493	100.0
288.05814	4.0
299.05423	1.2
329.06561	0.7
353.06393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01852	0.6
55.05484	0.2
57.03425	0.9
61.02928	1.3
65.03944	0.2
68.99786	0.7
69.03422	3.3
69.54355	1.2
69.54761	0.4
70.06596	1.1
71.04979	0.7
72.08161	0.3
73.02891	0.4
74.06076	0.2
78.55630	0.2
79.05487	0.3
81.03423	1.6
81.07042	0.3
83.01372	0.2
83.04961	0.2
85.02904	8.7
86.09707	0.5
87.04456	0.4
91.03953	0.3
91.05472	0.4
93.07036	0.2
95.04964	0.3
97.02882	2.8
98.21456	0.4
99.04444	0.6
103.05450	0.2
107.04934	0.7
109.02876	1.2
111.00790	0.7
119.55814	0.2
120.08099	0.2
121.02863	3.4
121.06496	0.6
125.05982	0.3
127.03919	1.5
128.06245	0.2
128.87700	0.2
129.07013	0.3
133.02870	0.3
135.04391	0.2
137.02335	1.0
137.05960	0.3
145.04951	1.8
145.06435	0.4
147.04388	0.7
149.05966	0.2
153.01833	4.9
153.05450	0.7
155.08473	0.2
157.06497	0.4
163.03911	0.2
165.01840	1.6
169.06458	0.2
171.04321	0.2
173.05875	0.3
181.05008	0.2
183.02808	0.9
185.05913	0.6
185.08058	1.3
189.05377	0.2
213.05478	1.5
229.04907	0.5
231.06581	0.9
241.04929	0.7
257.08127	0.7
258.05249	1.1
259.06036	0.4
269.04379	0.3
275.09094	0.2
287.05487	100.0
288.05814	3.6
299.05478	1.8
303.04987	1.8
311.05701	0.2
329.06406	1.3
353.06644	0.5
364.79309	0.2
413.08746	0.3
431.09631	0.5
449.10547	0.5
464.90900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03934	0.4
55.01868	0.4
57.03437	0.3
61.02921	4.8
61.62109	0.2
68.99787	0.7
69.03423	1.8
69.31480	2.4
70.06577	0.3
71.04993	0.7
73.02918	1.2
81.03400	1.0
81.07020	0.3
85.02898	6.6
91.03958	2.3
91.05513	0.5
97.02902	2.6
99.04424	0.3
105.03397	0.3
105.07014	0.3
107.04961	0.4
107.08603	0.2
109.02879	0.9
111.00793	1.0
115.03917	0.3
117.07059	0.3
121.02859	3.9
121.06487	0.3
123.04593	0.2
127.03936	1.4
129.06960	0.3
130.98178	0.2
133.02844	0.7
133.10114	0.3
135.04408	0.2
136.07568	0.3
137.02370	1.5
145.04961	0.9
145.06395	0.5
145.10139	0.3
147.04417	1.0
153.01820	5.0
157.06479	0.4
159.11641	0.4
161.05960	0.3
161.13174	0.3
163.11328	0.2
165.01833	2.5
171.04402	0.3
181.04941	0.3
183.02855	1.3
185.05978	0.8
197.06104	0.3
203.07021	0.3
213.05397	1.8
231.06450	0.8
233.15286	0.4
241.05019	1.0
251.16467	0.3
258.05243	1.0
259.05826	0.5
287.05493	100.0
288.05844	3.3
299.05396	1.2
303.04968	2.9
329.06454	0.6
353.06738	0.6
413.08133	0.3
431.09494	0.5
449.10699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.31016	0.4
53.40688	0.4
61.02926	7.2
66.75691	0.4
68.99789	0.7
69.03403	1.0
70.20280	2.2
71.96520	0.4
73.02909	1.1
80.57867	0.4
85.02425	0.5
85.02898	4.8
90.00384	0.4
91.03963	2.7
95.04964	0.5
97.02881	3.2
107.04975	0.5
109.02858	0.5
111.00806	0.9
112.48738	0.5
116.09727	0.4
121.02850	2.7
126.23045	0.4
127.03877	0.5
133.02791	0.5
137.02303	1.2
147.04532	0.7
153.01823	5.1
165.01845	1.7
165.87241	0.4
183.02921	1.1
185.05901	0.6
213.05446	1.5
241.04948	1.0
258.05261	1.5
259.05936	0.7
287.05493	100.0
288.05853	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.6
55.01847	0.6
55.29811	0.2
55.65542	0.2
57.03417	0.9
61.02921	1.7
67.05507	0.3
68.99784	1.0
69.03422	3.4
71.04978	0.6
71.45886	0.4
73.02904	0.6
79.05466	0.3
81.03414	1.8
83.01325	0.3
85.02896	9.6
86.09645	0.3
91.03949	0.8
91.05474	0.4
93.07003	0.2
95.04931	0.4
97.02883	3.8
97.06501	0.3
99.04442	0.5
99.55332	0.2
105.03383	0.6
105.07027	0.4
107.04932	0.6
108.53796	0.2
109.02894	1.1
111.00783	1.1
111.04484	0.2
117.90478	0.2
119.04978	0.3
119.08591	0.2
121.02846	3.8
127.03912	2.4
133.02870	0.6
135.07976	0.2
137.02316	1.1
145.04939	1.5
145.06517	0.4
147.04395	1.0
153.01807	6.3
157.06512	0.5
165.01842	2.2
171.04344	0.3
173.05875	0.2
175.03926	0.3
175.07628	0.3
177.09106	0.8
183.02885	1.3
185.05959	0.7
193.08607	0.3
201.09137	0.2
213.05440	1.7
229.08620	0.5
231.06464	0.7
241.04907	1.0
241.67863	0.3
243.30960	0.3
258.05157	1.4
259.05920	0.6
283.05737	0.3
287.05469	100.0
288.05786	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01856	0.3
55.26077	0.2
57.03417	0.9
57.38939	0.2
61.02919	1.6
61.99708	0.2
68.57732	0.3
68.99773	1.0
69.03427	3.1
69.48952	2.3
70.84973	0.2
71.04993	0.4
73.02890	0.5
81.03411	1.5
83.01305	0.2
85.02904	8.8
87.04450	0.4
91.03915	0.3
97.02896	3.4
99.04443	0.7
105.03388	0.3
107.04926	0.4
109.02871	0.9
111.00784	0.9
121.02862	3.3
124.44411	0.3
127.03936	1.8
133.02849	0.5
137.02327	1.2
145.04927	1.4
147.04401	0.6
151.03717	0.3
153.01834	4.9
157.06517	0.5
165.01826	2.3
166.82062	0.2
171.04472	0.2
183.02873	1.0
185.05997	0.7
213.05496	1.4
231.06526	0.8
241.04904	0.9
258.05307	1.6
259.06177	0.3
269.04489	0.5
283.44318	0.2
287.05493	100.0
288.05826	4.4
299.05557	0.5
329.06656	0.4
353.06360	0.3
471.12927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02731	0.5
53.03933	0.5
56.35694	0.4
61.02937	1.3
67.48750	0.5
69.03436	3.6
69.70331	3.6
74.41034	0.5
76.29831	0.5
79.05473	0.7
81.03415	1.3
85.02890	4.4
85.82210	0.6
87.04439	1.1
89.19859	0.6
90.80358	0.5
91.05466	1.5
92.88052	0.6
93.07066	0.7
93.71671	0.5
95.04946	1.5
97.02901	2.7
103.05465	0.9
103.27547	0.5
107.04947	100.0
107.41522	0.5
108.05293	1.4
109.02869	1.0
109.06493	0.7
115.05455	9.6
117.06995	1.3
118.48351	0.5
119.04919	0.9
121.02885	1.0
121.06509	5.2
125.03827	0.5
127.03893	1.1
129.10194	0.7
131.04921	1.7
131.21664	0.5
137.05977	12.4
140.11421	0.5
143.04918	21.0
144.05620	0.5
145.06468	10.2
151.03912	1.2
151.07549	1.2
153.04945	0.6
155.06085	0.7
160.05125	0.9
161.05972	0.7
163.07553	1.3
165.07022	0.8
175.07559	9.8
178.07234	0.7
178.08652	8.1
181.06482	0.8
181.10062	0.9
191.08548	2.4
194.07286	1.8
195.08008	0.8
209.09605	8.5
219.08046	1.7
237.09102	10.5
238.09642	1.0
239.07043	1.3
240.07840	0.9
251.10501	0.9
254.09422	0.9
268.19226	0.6
269.11728	33.4
270.12119	1.4
284.12787	0.9
286.14359	52.2
287.05573	2.4
287.14777	2.2
448.19650	78.4
449.20035	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	448.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05509	12.2
57.03428	14.3
57.07076	3.3
57.10324	2.5
60.54107	2.3
67.05492	9.6
69.03395	3.0
69.07072	12.8
70.07388	3.1
71.08627	2.9
71.62756	2.9
71.63114	2.5
79.05479	7.2
80.05779	2.3
81.07051	13.1
82.07366	3.0
82.60932	2.8
83.08610	8.0
84.08958	3.1
91.05482	5.9
91.31900	2.5
93.07040	9.3
95.04913	2.7
95.08611	7.5
97.06531	3.1
97.10158	2.8
98.98479	16.4
105.07043	7.0
107.08555	4.6
113.00007	9.5
117.07019	3.6
118.70718	2.5
119.08572	5.4
121.10149	3.0
122.10393	2.9
130.80290	2.2
135.11740	3.4
137.00002	12.5
145.10173	3.0
147.04388	7.0
147.07986	3.1
147.11711	2.9
151.07568	3.2
153.05463	2.9
155.01065	13.6
159.11649	2.9
166.06268	3.3
168.07768	6.4
178.09901	8.1
179.07063	4.6
181.08572	17.6
186.51866	2.5
191.28368	2.3
193.02802	3.6
194.09407	10.1
195.10126	4.5
209.11729	100.0
219.06418	6.5
226.19611	2.8
256.26184	3.8
287.05389	5.6
311.26001	2.7
312.26123	10.3
336.26120	7.7
448.24869	18.2
448.30701	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	448.1965
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
50.74328	0.4
51.02351	0.4
53.03938	0.9
55.01848	0.5
57.03440	0.9
61.02920	1.1
62.02297	0.3
63.14457	0.3
64.51128	0.4
69.03432	4.0
69.92171	0.7
69.92580	1.6
70.06599	0.6
73.02907	0.7
73.77237	0.4
75.36956	0.4
79.05469	0.7
81.03414	1.5
85.02911	6.1
85.73637	0.3
86.09695	1.3
87.04466	0.6
87.45550	0.3
91.05479	1.8
93.07037	0.4
95.04953	1.3
97.02887	2.2
103.05402	0.8
107.04953	100.0
108.05302	1.3
109.02885	1.0
111.03778	0.4
115.01727	0.4
115.05444	10.4
117.07011	1.4
119.04943	1.6
121.02862	0.9
121.06498	4.8
125.05992	0.6
127.03929	0.9
131.04915	2.0
133.04874	0.4
137.05974	11.5
143.04919	21.0
144.05708	0.5
145.06474	10.8
147.08086	0.5
149.57724	0.4
151.07550	1.4
154.99347	0.4
155.06001	0.7
160.05193	1.1
161.06050	0.7
163.06310	0.6
163.07585	1.6
165.07013	0.5
166.07680	0.4
167.08580	0.5
175.07558	9.4
176.78365	0.4
178.08635	8.2
181.06461	1.1
181.10127	0.8
183.08095	0.5
191.08507	2.7
192.10301	0.6
194.07291	2.6
195.08018	0.8
209.06311	0.4
209.09618	7.8
209.11594	0.4
211.11104	0.5
219.08110	1.2
236.08328	0.4
237.09082	9.6
238.09731	1.0
239.07126	1.4
240.07892	0.9
251.10779	0.6
254.09341	1.1
269.11731	33.3
270.12012	0.9
280.68018	0.4
284.12762	1.9
286.14374	55.0
287.05527	0.5
287.14734	1.9
406.06827	0.4
430.18414	0.5
448.19687	98.7
449.19965	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	447.383
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05508	49.4
56.04016	3.3
57.07072	84.4
59.65775	3.2
67.05486	8.0
69.06713	6.2
69.07063	100.0
69.51581	6.2
69.51990	23.2
71.08271	6.2
71.08627	66.5
78.25722	3.4
79.05475	5.2
81.07057	16.9
83.08607	74.3
85.10168	39.4
93.07027	5.5
95.08607	11.7
97.10163	70.9
107.08571	9.2
109.10165	9.5
111.11713	51.9
115.32265	3.7
119.08528	3.9
121.06521	4.8
123.08038	3.3
125.13250	24.4
135.08055	13.2
137.09608	14.1
139.07516	31.6
139.14722	4.2
139.66614	3.5
141.79933	2.9
149.02336	13.7
149.09627	10.1
151.07506	18.0
152.72351	3.4
153.09122	14.8
159.07928	4.3
163.11195	3.7
164.08304	5.3
165.09111	86.9
167.07059	5.6
169.08595	8.3
177.09100	9.7
179.10678	4.8
181.08604	42.6
191.10680	10.4
205.12253	11.1
276.76471	4.0
401.38266	4.2
429.37366	25.5
430.37863	12.0
447.38300	90.9
448.38544	5.4
458.94022	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	448.194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.3
60.05642	1.0
61.77877	0.5
69.03413	0.9
70.06564	0.5
70.11102	1.6
70.11513	1.5
71.21358	0.5
77.46318	0.5
81.03377	0.6
83.06097	2.0
85.02876	1.1
86.09700	0.6
95.06071	0.7
95.64378	0.5
97.02882	0.6
97.07668	0.8
98.20712	0.5
105.03390	2.0
105.05782	0.7
106.06564	1.7
107.04946	13.0
107.05613	0.9
111.05563	5.1
113.07093	0.6
114.06660	0.5
115.00323	0.6
115.05475	0.7
120.04457	12.2
121.04785	0.7
121.06490	0.5
121.17633	0.5
123.05565	1.0
124.10215	0.5
126.06615	9.1
129.10324	0.5
131.04968	0.5
132.04443	18.0
132.08134	0.9
134.06010	7.7
137.04694	1.7
137.05946	1.5
139.03928	0.6
140.08218	0.9
143.04912	2.0
145.06500	0.8
146.02332	0.9
147.04346	0.6
149.81996	0.5
151.06142	8.6
151.07420	0.8
162.06532	0.8
168.08807	2.4
173.76178	0.6
175.07567	1.9
178.08598	0.7
187.11191	0.7
192.47729	0.6
202.09760	11.5
209.09720	0.7
215.08134	0.8
216.11275	3.4
230.09219	8.7
231.12407	1.4
232.10768	4.0
237.09061	1.2
242.09286	3.6
247.55402	0.5
257.10287	3.7
259.11899	68.8
260.12222	2.1
269.11722	4.5
277.12976	2.8
284.11423	4.4
286.14374	4.6
287.05353	0.8
301.14008	8.4
302.12460	27.1
303.12756	1.1
319.15103	2.4
406.11914	1.0
406.17215	12.7
413.15274	0.6
430.18454	2.0
431.16855	0.8
435.11728	0.6
440.24094	0.5
448.19409	100.0
449.19650	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	447.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14381	1.9
53.03939	4.4
53.04179	1.6
54.57465	1.5
55.05503	11.9
57.07072	3.1
59.07915	1.6
65.03923	2.7
67.05509	16.4
69.07078	13.2
69.43491	16.3
71.04981	3.1
77.66492	1.6
79.05485	22.4
81.07050	53.0
81.43417	1.8
83.04936	1.9
83.08604	5.6
85.06544	8.7
91.05465	26.5
93.07040	39.0
95.04952	4.2
95.08607	37.0
97.06534	5.5
99.08087	3.2
105.07027	44.9
107.04920	3.6
107.08588	20.9
109.06516	3.3
109.10155	16.8
111.08066	2.5
115.05437	2.4
117.07014	12.3
119.08577	41.8
121.10134	34.9
123.08037	2.5
123.11731	10.3
128.06209	7.1
129.07033	11.1
130.07739	2.6
131.08572	25.2
133.10133	23.5
135.08054	2.4
135.11684	10.6
141.06970	7.7
142.07761	15.4
143.08566	26.3
144.09337	3.1
145.06488	2.4
145.10123	32.0
147.08032	4.2
147.11674	10.6
149.09570	2.0
149.13287	4.1
153.06996	2.4
155.08553	16.6
156.09337	5.3
157.10126	43.7
158.10928	5.4
159.08121	2.0
159.11685	32.5
161.09607	4.3
161.13268	8.5
161.14464	1.9
163.11238	2.6
165.06996	3.6
166.07770	3.5
167.08586	7.8
168.09361	6.3
169.10127	18.6
170.10941	2.0
171.08081	2.4
171.11659	19.6
173.09659	5.1
173.13231	8.5
175.07501	3.0
175.11140	13.7
177.12759	6.1
178.07796	2.1
179.08562	6.5
180.09332	4.9
181.10091	19.7
182.10921	4.3
183.11671	18.8
185.09624	2.2
185.13289	12.2
187.07585	2.4
187.11267	4.2
187.14841	4.3
189.09114	3.6
189.12756	2.0
189.16350	2.4
191.08630	1.8
192.09325	4.0
193.10127	9.6
194.10997	2.6
195.11703	17.0
196.12410	4.2
197.09659	2.7
197.13213	13.3
199.11168	2.5
199.14772	8.7
201.12720	2.1
201.16400	4.3
204.09212	2.5
205.10063	5.0
206.10924	7.9
207.11638	16.5
208.12445	3.9
209.09863	2.1
209.13240	18.3
211.11209	4.0
211.14822	8.1
213.09050	3.1
213.12791	2.0
213.16325	3.5
217.10130	4.6
217.12206	2.6
218.10843	3.5
219.09834	2.3
219.11572	9.6
220.12451	5.4
221.13258	15.9
223.14786	15.4
225.16399	14.5
227.10661	7.2
227.17926	4.1
229.12167	14.4
231.11705	4.3
231.13734	3.1
232.12447	4.9
233.13321	11.5
234.13916	3.3
235.14824	9.5
237.12756	2.2
237.16371	9.4
239.17993	4.4
241.12317	2.7
243.11694	3.6
245.13284	7.2
246.14026	4.8
247.14836	10.4
248.15630	2.2
249.16405	10.4
251.14267	3.4
251.17984	4.7
253.15913	6.1
253.19765	3.2
255.17497	4.0
257.13190	2.8
259.14813	7.7
260.15594	2.4
261.16498	11.7
262.17334	2.9
263.17947	6.6
265.15857	2.6
265.19427	4.6
267.13748	2.3
267.17526	3.6
271.14471	2.6
271.16983	4.9
272.15396	2.8
273.16202	4.3
274.16971	1.9
275.17896	10.2
277.16049	4.1
277.19528	5.7
279.17487	7.1
287.17947	6.2
289.19455	6.7
291.21075	4.0
293.18890	2.7
299.17575	2.1
301.19440	3.7
302.20276	2.2
303.21036	2.3
305.18909	2.1
309.21985	2.1
313.19687	3.1
315.21100	4.0
316.22064	1.9
317.22723	3.3
327.21027	4.9
328.22003	2.2
331.20670	2.9
333.18417	2.2
333.22144	2.0
335.19965	2.9
343.24139	10.4
345.22125	2.9
345.25845	4.3
353.21085	2.7
383.27191	10.0
385.28854	5.6
389.24698	7.0
401.28409	35.2
403.30103	14.7
419.29434	5.4
429.27811	26.1
447.28928	100.0
448.29346	4.0
457.03540	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.4
60.04491	0.7
60.05635	1.6
61.38717	0.6
67.05483	0.7
69.03411	2.1
70.06578	2.6
71.63608	0.7
71.63989	0.8
72.08126	1.2
79.05482	1.1
81.03427	1.3
83.06091	1.7
84.08132	1.1
85.02901	3.4
86.09699	1.4
87.04462	0.9
87.51314	0.5
91.05437	1.5
93.07042	0.7
95.04945	0.8
95.06049	1.1
97.02869	2.4
103.05438	0.6
104.46162	0.6
105.03374	1.9
105.05746	0.8
106.06530	1.7
107.04951	32.8
109.02877	0.9
111.04433	0.6
111.05556	5.1
115.05445	2.8
117.77360	0.6
118.06567	0.9
119.04823	1.0
119.08503	0.6
120.04465	10.4
120.08099	0.6
121.02893	0.9
121.06475	0.6
123.05558	1.4
126.06639	8.4
127.03915	1.3
127.07430	0.7
129.10263	0.8
130.06500	1.2
131.04900	0.8
132.04443	16.7
134.06007	6.3
137.04800	1.3
137.05959	3.7
143.04921	5.0
145.06516	3.5
146.09787	0.6
147.04413	1.4
148.90726	0.6
149.02368	0.8
151.06140	7.8
155.08502	0.9
155.88402	0.6
158.05981	1.0
160.05229	1.3
161.07112	0.6
162.06604	1.3
163.07552	1.2
164.07014	0.6
165.09122	1.0
168.08821	2.0
170.05615	0.8
172.08870	1.0
175.07494	5.4
178.08650	1.3
187.11186	1.7
194.07382	0.7
200.08322	1.0
202.09741	11.2
209.09641	2.3
216.11322	2.2
219.08229	0.8
230.09222	8.0
231.12259	0.7
232.10828	3.1
237.09073	3.8
242.09233	3.2
245.68163	0.6
255.09027	0.9
257.10367	4.6
259.11893	63.2
260.12219	2.3
269.11737	12.5
269.14609	0.6
277.12958	2.6
284.11267	3.0
286.14368	13.6
287.05508	1.1
301.14059	7.5
302.12457	27.6
302.15906	1.5
319.15244	1.5
362.18240	0.7
406.17319	12.2
413.15424	0.7
430.18314	1.3
431.16864	0.9
448.19443	100.0
449.20023	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01862	9.4
55.05508	36.3
56.96564	3.5
57.03437	13.9
63.66115	2.0
65.03923	5.0
67.05161	3.6
67.05502	60.8
69.03414	5.9
69.07055	16.5
71.01327	4.6
71.04984	6.3
71.64938	2.9
79.05492	69.8
81.03416	61.2
81.07052	47.8
83.04980	9.8
83.08612	19.6
84.51985	2.0
85.02913	2.3
85.06548	6.0
91.05474	53.1
93.07039	52.0
95.04967	42.1
95.08604	19.0
97.02882	2.4
97.06531	11.2
97.10175	16.8
103.05489	3.7
105.07024	36.5
107.04967	20.1
107.08591	34.6
109.06524	10.3
109.10149	11.9
111.04427	3.3
111.08077	8.3
111.96929	2.2
115.05433	2.4
117.07025	21.4
119.04921	2.3
119.08577	24.5
121.06507	16.5
121.10143	15.5
123.08057	5.7
123.11719	2.6
125.06002	2.9
125.09638	10.4
128.06201	4.0
129.07005	23.6
131.04945	5.5
131.08556	28.4
133.06482	10.2
133.10107	15.1
135.08058	7.1
135.11690	34.1
137.09610	4.6
141.06976	4.0
142.07747	3.3
143.08481	12.4
145.06471	16.8
145.10123	17.1
147.08052	10.2
147.11713	7.9
149.02324	4.6
149.09644	8.1
151.07492	4.1
151.11200	2.8
155.08565	8.5
157.06563	3.3
157.10135	13.4
159.08060	8.1
159.11681	7.2
161.09648	5.3
163.11168	13.9
165.09076	4.4
167.08571	3.4
169.10144	7.9
171.08061	4.2
171.11719	6.7
173.09612	3.8
173.13205	3.7
175.11151	11.7
181.10100	2.6
181.12177	2.2
183.11670	6.1
185.09700	3.1
185.13243	9.1
187.11214	2.4
189.11223	6.9
193.12285	24.7
195.11775	2.4
197.13176	2.4
199.11220	3.1
201.12791	3.9
203.14334	6.6
211.11342	3.2
211.13225	2.4
215.14607	2.3
225.12715	4.6
227.12679	3.7
229.12244	2.7
231.13771	2.6
239.10025	2.0
241.03725	2.2
243.13866	2.3
249.14975	5.0
257.04297	2.5
257.15454	3.6
267.16077	2.4
275.19934	3.3
319.20532	2.6
327.23270	3.1
329.21094	3.9
337.21588	11.9
355.22650	28.1
373.23676	12.1
375.04602	2.2
403.24908	5.3
429.26352	23.1
447.21085	4.9
447.27423	100.0
448.27856	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	447.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21254	1.5
55.05503	6.0
55.14917	1.3
65.03930	2.6
67.05515	13.2
69.03423	3.3
69.07051	4.0
71.04993	5.9
71.62893	2.1
79.05492	19.8
81.07059	32.5
83.04983	2.8
83.08597	1.9
85.06544	4.8
91.05463	18.9
93.07041	23.8
95.04977	18.9
95.08611	10.7
97.06515	3.5
100.84886	1.3
103.05478	1.7
105.07029	34.1
107.04960	2.9
107.08591	24.1
109.06521	21.7
109.10155	3.8
115.05476	3.1
115.65082	1.4
116.06200	1.5
117.07024	15.1
119.07719	2.1
119.08575	28.1
121.06496	4.8
121.10136	10.4
123.08080	5.3
128.06210	9.9
129.07018	14.5
130.07777	3.5
131.08569	19.9
133.06483	5.2
133.10147	12.5
135.08038	10.9
135.11690	3.9
137.09656	2.8
141.07024	6.3
142.07790	11.1
143.08572	25.7
144.09386	2.8
145.06488	6.7
145.09058	2.8
145.10136	30.6
145.73607	1.6
147.08038	7.4
147.11700	6.6
149.09616	2.8
152.06140	1.7
153.06973	3.6
154.07790	2.2
155.08542	18.7
155.09691	1.5
156.09364	5.9
157.06512	1.8
157.10127	33.5
157.11322	2.5
158.07321	2.7
158.10567	1.3
159.08081	12.9
159.11690	22.4
161.09616	8.1
161.13316	9.4
163.11238	4.9
165.07056	7.0
166.07745	1.5
167.08591	7.1
168.09338	4.5
169.10138	20.0
171.08081	8.3
171.11696	14.7
172.08908	2.7
173.09642	23.1
173.13263	5.2
175.11188	21.1
179.07176	1.6
179.08578	6.0
180.09317	2.8
181.10147	6.8
182.10892	4.8
183.08159	2.1
183.11681	12.3
185.09653	7.7
185.13252	14.4
187.11186	12.0
187.14815	7.4
189.12749	2.0
193.10152	6.0
194.10939	3.1
195.11679	16.8
197.09659	2.6
197.13255	17.4
198.10474	3.2
199.11252	4.9
199.14828	3.1
201.12764	18.2
203.14359	5.4
205.10094	2.9
207.11766	5.4
209.09637	3.1
209.13213	7.6
211.11243	4.0
211.14850	1.9
213.12759	30.4
215.14328	48.9
217.12198	1.6
217.15799	2.2
219.11665	4.0
219.13628	1.5
221.13235	4.2
223.11221	2.1
223.14806	3.0
225.12775	3.2
227.14369	12.7
229.12267	1.9
229.15935	4.1
230.12732	1.7
231.13834	10.1
233.13290	3.5
235.14861	5.1
237.16359	2.0
239.14291	2.3
245.13110	2.6
245.15392	25.6
247.14850	2.2
249.12820	1.9
251.14368	4.6
253.15938	3.9
261.16574	1.4
263.14423	1.9
263.17880	2.2
265.15924	2.9
267.17511	2.5
269.15598	3.3
273.16248	1.6
275.18082	2.2
277.16174	1.6
279.17352	1.8
285.18652	7.4
291.17603	2.3
293.18994	2.4
321.18732	1.7
333.22244	2.5
351.23248	2.4
353.22757	1.7
371.23709	4.6
378.51874	1.5
389.24689	14.1
401.28442	4.0
411.26953	4.7
419.29495	3.3
429.27911	36.0
447.28973	100.0
448.29330	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94397	1.1
53.03935	1.1
55.01617	1.2
55.01870	17.7
55.05509	48.5
57.03435	64.7
57.06824	1.1
57.07077	15.2
62.24178	1.1
67.05211	1.1
67.05502	13.1
69.07063	47.3
70.19972	5.2
71.08629	10.3
73.02901	1.1
76.90322	1.1
79.05484	8.7
81.07059	14.9
83.04969	1.5
83.08621	36.4
85.10167	4.6
91.05453	2.2
93.07015	7.7
95.04934	1.7
95.08596	12.8
97.06530	5.2
97.10165	21.2
98.98463	84.3
105.07020	1.6
107.08573	5.1
109.10152	3.0
111.08044	1.7
111.11700	6.7
113.20015	1.0
116.99504	2.3
117.66570	1.1
121.10139	10.1
123.11691	2.7
129.05475	2.0
135.11687	6.7
136.99982	82.4
137.13229	1.4
145.10106	1.5
149.13213	2.1
155.01038	68.1
159.11722	1.1
173.02014	1.3
178.02731	1.4
187.86421	1.2
193.02611	15.9
211.03647	8.1
219.21078	1.9
237.22083	17.2
265.04761	2.4
293.24500	1.4
311.25790	65.8
312.26175	3.1
379.39673	1.2
447.25040	100.0
448.25397	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.2
55.01853	8.5
55.05518	17.4
57.03175	3.5
57.03437	32.4
61.02925	70.2
61.15037	2.1
65.03944	3.3
67.05166	3.0
67.05502	42.7
69.03426	44.5
69.07057	8.1
70.06583	3.1
70.24270	2.4
70.77516	3.5
70.77858	4.3
71.01337	7.3
71.05009	11.1
71.08578	2.2
72.08169	3.8
73.02911	26.7
79.05490	39.6
81.03413	87.8
81.07056	46.0
83.04986	18.4
83.08617	21.2
84.08149	2.7
85.02899	91.0
86.09695	4.0
87.04452	5.9
91.03951	40.2
91.05470	49.2
93.07032	30.9
95.04969	37.7
95.08607	16.3
97.02889	59.7
97.06497	6.3
99.04461	12.2
99.08043	2.8
101.02378	14.2
103.03944	8.0
105.07014	37.3
106.20432	2.1
107.04922	12.7
107.08595	13.1
109.02896	16.2
109.06499	11.0
109.10144	32.4
111.04417	6.0
111.08066	16.8
113.05978	3.2
115.03894	4.7
115.05411	2.6
116.40082	2.4
117.06987	3.7
119.04979	2.7
119.08575	22.0
121.10126	12.2
123.08043	5.2
123.11671	3.6
127.03900	32.0
129.05469	4.6
129.07024	20.5
131.08574	19.4
133.06441	3.7
133.10103	22.8
134.56754	2.6
137.05963	5.6
137.09608	44.0
142.07777	4.4
145.04953	7.6
145.10109	2.9
147.08028	6.0
147.11699	24.1
149.09613	9.2
152.07088	2.3
157.10136	26.6
163.11140	4.4
165.09116	35.7
165.12729	4.9
175.11171	28.4
183.06511	6.8
193.12238	100.0
199.12212	3.1
201.07591	3.4
211.13286	91.9
255.11174	2.9
257.12933	4.2
267.15924	16.5
279.12384	5.5
285.16956	74.5
297.13321	4.8
313.16473	3.1
418.92499	3.1
419.18112	3.3
429.16431	3.0
429.21494	3.1
447.22284	8.1
448.92740	2.6
464.59357	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	447.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01874	8.1
55.05511	21.8
55.67450	2.1
56.05046	2.5
57.03442	29.3
58.06604	3.6
61.02927	70.4
65.03940	2.8
66.92834	2.2
67.05506	33.6
69.03431	41.5
69.07057	10.1
69.07957	2.8
70.06590	5.7
71.01357	5.7
71.04626	2.2
71.04991	13.3
71.63699	2.4
71.64101	3.6
72.08165	3.1
73.02921	30.5
74.06062	2.8
79.05493	41.9
81.03416	100.0
81.07056	41.3
83.04986	30.1
83.08624	24.1
84.04470	2.2
84.08140	2.9
85.02905	95.7
85.06525	3.4
86.09708	16.6
87.04463	6.5
91.03963	34.8
91.05466	58.9
93.07047	29.0
95.04967	39.6
95.08622	11.9
97.02890	55.8
97.06512	5.8
97.10175	7.1
99.04440	10.9
99.08072	3.2
101.02384	13.3
103.03922	6.3
105.07030	34.3
107.04956	17.1
107.08606	10.9
109.02879	21.1
109.06522	8.3
109.10138	4.1
111.04431	12.6
111.08062	16.4
113.05998	3.6
115.03910	5.9
115.05477	3.5
116.07103	2.5
117.07004	6.7
119.08569	34.8
121.06483	7.1
121.10142	13.4
121.69037	2.1
123.08080	5.9
123.66546	2.1
125.09592	2.9
127.03917	25.3
127.07581	3.2
128.06277	2.8
129.05525	10.8
129.07002	20.9
129.10196	2.8
131.08566	15.3
133.06474	3.3
133.10143	25.7
137.02344	4.8
137.05983	5.6
137.09674	2.5
142.07770	6.8
143.60707	2.2
145.04926	10.0
145.10118	5.6
147.08034	3.5
147.11694	30.3
149.02361	4.0
149.09644	10.9
155.08476	2.6
157.10130	24.6
159.11684	2.9
163.11177	6.4
165.05591	2.3
165.12811	4.0
169.10222	2.6
173.05838	2.7
173.09581	2.9
175.07515	3.0
175.11201	29.0
178.43584	2.5
181.05017	3.1
183.06526	6.7
193.12245	89.2
194.12529	2.4
199.13354	3.0
201.05670	2.9
211.13300	83.7
212.13715	3.1
227.12711	3.2
245.08121	3.1
255.11340	3.1
267.15979	15.4
268.13284	3.3
273.07678	2.5
285.16968	79.8
295.15311	2.7
313.16342	3.1
315.04959	8.9
315.13388	7.7
341.06473	4.1
361.02625	3.9
369.06085	10.8
387.10480	3.7
429.21094	5.5
447.17090	16.8
447.22394	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	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03944	10.6
55.01849	3.1
55.05500	2.3
56.05013	1.3
56.91188	0.9
59.04988	2.2
60.04522	1.4
61.02912	2.3
62.06066	3.8
69.03401	3.2
69.07050	1.9
70.02940	0.9
70.06575	1.2
70.90741	0.9
70.94147	1.0
71.04985	18.4
71.08626	13.7
71.65923	1.9
72.08150	1.4
73.02897	2.3
79.05481	1.7
81.03444	1.0
81.07056	6.0
85.02906	2.2
86.06060	49.3
87.04442	4.4
88.03994	2.4
93.07054	1.6
95.08579	1.6
96.08089	1.8
96.96371	1.0
97.02881	1.6
97.06499	1.7
98.09679	5.3
99.04437	1.0
99.08080	13.0
101.02389	5.5
105.05482	2.2
105.07028	1.5
108.08118	1.5
109.06502	8.6
111.08041	6.2
115.03908	3.0
116.10719	17.2
124.07632	1.3
131.44516	1.0
133.04951	13.8
134.09616	3.5
135.10379	1.2
137.05949	6.0
138.09122	1.0
142.08630	2.3
142.12234	3.4
143.10672	16.2
151.07532	1.1
152.10677	3.3
163.03903	2.4
167.05647	1.6
167.07040	2.4
169.59653	0.9
170.11755	9.4
180.10162	3.4
182.08035	1.4
191.03297	1.3
198.11243	100.0
211.07506	1.2
214.17981	3.3
215.05429	1.3
216.12300	15.0
220.08130	5.7
229.08658	1.2
231.10258	1.0
231.12238	4.7
235.11211	1.0
253.12218	1.6
257.04343	4.8
269.10223	3.8
293.09079	0.9
296.18536	15.5
302.15900	8.0
314.19510	2.7
330.15448	6.7
348.16504	85.5
349.16864	1.8
428.22723	4.5
446.23819	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	446.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68373	5.7
55.11708	6.2
65.67275	4.8
69.38757	31.2
69.39180	29.8
69.76868	5.2
82.67513	5.5
83.42202	6.0
91.05430	7.1
105.07028	8.5
118.96954	5.9
119.04955	8.9
123.08114	5.8
131.04929	10.4
133.06476	8.3
137.06006	13.3
179.07024	9.5
181.08546	13.6
193.08647	15.4
194.09367	100.0
211.09579	8.9
404.97241	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	446.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05497	4.4
56.05022	2.4
56.66481	1.2
57.03185	2.0
57.03434	20.8
57.16488	1.3
58.06582	1.7
60.04505	2.3
61.02921	2.6
65.03937	1.7
67.05503	3.1
68.04996	1.5
69.03425	10.4
70.06584	5.0
71.04996	2.2
71.63239	2.8
72.08168	7.5
73.04741	3.9
79.05495	2.6
81.03440	3.1
81.07043	1.6
83.04996	9.1
84.04499	7.9
84.08131	5.5
85.02427	2.4
85.02906	28.8
86.09707	12.8
91.05434	5.3
91.05813	5.9
93.03400	1.8
95.04945	4.3
97.02885	5.6
97.06500	3.1
98.06031	1.6
102.05537	4.3
103.05478	2.8
104.05311	1.6
105.07014	2.9
107.04958	2.6
108.04465	1.8
109.02869	2.8
109.06512	1.4
111.04433	7.2
115.05434	2.5
117.07022	1.6
117.50504	1.5
119.04946	3.7
119.08568	1.9
121.02866	2.8
123.04426	6.5
127.03922	7.8
129.05472	1.9
129.07021	8.2
129.10262	5.8
130.04984	2.4
131.04892	5.4
131.08507	2.1
133.02769	1.7
133.06448	2.7
134.06006	3.2
134.09613	2.1
135.04369	3.4
136.07617	3.0
137.02396	1.4
137.05965	14.7
138.05521	1.9
139.03896	4.0
142.07817	2.7
143.04953	2.2
145.04944	3.1
145.06488	4.1
146.06049	3.4
147.04408	6.1
147.07803	2.3
148.07568	5.8
149.05980	9.4
152.06100	2.2
157.05031	1.5
157.06517	6.0
157.10103	5.7
161.05994	12.4
162.05504	4.2
163.03937	12.0
163.06195	1.7
163.07526	3.5
164.07063	7.2
165.05530	8.4
167.05591	3.6
167.08530	10.3
173.05966	3.5
174.05432	1.6
174.06860	3.0
175.03931	2.0
175.07544	30.0
176.06992	2.1
176.10744	7.7
177.05522	7.6
177.09128	4.8
179.07042	1.9
180.06566	4.6
183.11642	1.7
185.09621	8.7
190.04910	2.3
192.06564	4.9
192.10132	3.2
193.05075	1.9
193.08575	21.1
194.04419	2.8
195.08054	10.5
195.10080	2.8
196.52777	1.6
198.06766	2.5
199.88792	1.4
201.09158	2.6
203.10660	26.5
204.10121	2.0
208.06047	1.7
210.07491	2.2
213.09120	24.2
220.06087	1.5
220.13379	3.2
221.11761	13.4
226.04501	1.7
226.06842	1.6
231.10149	52.6
232.10443	2.1
249.11229	100.0
250.11581	4.2
254.06577	1.9
266.13861	20.7
267.12421	3.3
283.47455	1.4
284.05704	2.7
284.14932	6.4
359.02930	2.3
360.02872	5.6
428.19107	4.3
446.12921	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	446.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30899	2.8
55.01860	6.2
55.05511	3.9
55.94361	2.3
57.03409	2.7
58.99580	9.5
61.01148	44.3
65.03934	4.5
67.05502	6.3
69.03423	3.7
69.07064	3.7
71.05009	3.5
73.02917	5.3
76.68378	2.5
79.05496	11.7
81.03434	3.8
81.07061	7.4
85.02879	3.3
85.06525	5.8
86.99055	8.1
89.00616	42.2
91.05485	9.7
93.07021	8.2
95.04967	6.7
95.08609	5.7
97.06531	7.2
105.00083	4.5
105.07025	39.7
107.04991	6.0
107.08609	5.1
115.05472	6.2
117.07037	12.0
119.07891	2.2
119.08585	15.0
125.05962	2.5
125.18186	2.5
128.06224	10.7
129.07034	14.6
131.08571	46.4
133.10132	10.0
137.05971	35.2
141.06998	11.9
142.07785	31.4
143.08569	39.7
144.09282	4.4
145.06494	8.5
145.10141	20.9
147.04482	3.1
147.07928	3.5
147.11720	4.3
151.03893	6.4
151.07576	4.4
153.05379	3.8
153.07048	7.3
155.08534	17.4
156.09355	3.9
157.06538	3.3
157.10124	100.0
158.10828	10.3
159.08031	11.9
159.11662	25.0
161.06038	3.9
167.07024	8.4
168.09331	34.8
169.10126	12.1
170.10922	2.7
171.08142	3.4
171.11653	4.9
173.06053	4.8
173.09618	5.0
173.13235	23.9
175.07549	3.6
175.11148	25.1
181.04968	22.1
183.11691	96.6
184.12294	9.2
185.13271	24.6
187.07544	3.0
187.11174	15.9
189.09129	7.1
193.10132	2.9
199.11214	14.0
201.09001	3.3
201.12746	51.1
203.14345	3.5
211.11203	9.7
215.08839	4.6
217.12265	20.1
219.13753	3.5
229.12230	85.4
229.35454	2.9
230.12660	3.5
241.10440	3.0
247.13287	13.3
283.05228	2.9
285.07602	3.6
301.07104	3.8
305.12228	12.6
323.13126	9.0
333.11816	5.3
351.12598	62.5
361.02451	3.0
369.13614	9.4
387.14401	3.4
446.18375	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05503	1.4
57.03438	0.7
58.06597	0.9
64.79446	0.6
67.05493	1.6
69.03406	2.0
69.07060	0.8
70.06583	2.4
71.05003	1.0
71.62233	0.8
72.08144	2.1
79.05473	2.1
81.03407	1.3
81.07053	2.5
84.04490	1.2
84.08136	2.9
85.02905	3.5
85.06535	1.3
86.09696	4.8
87.09998	0.9
88.02204	2.3
88.03990	7.5
91.05447	2.1
93.07041	3.6
94.07343	1.0
95.04968	1.7
95.08607	1.2
97.02895	2.1
105.07036	7.6
107.04964	1.3
107.08580	2.8
109.02848	0.8
115.05441	1.1
117.07017	3.1
119.04955	0.9
119.08602	2.6
121.06460	0.9
121.10139	0.9
122.02715	2.9
127.03862	1.6
128.06215	3.3
129.07013	5.1
131.08554	5.8
132.08784	0.7
133.10129	2.9
141.06976	3.0
142.07773	5.9
143.08554	19.0
144.09309	2.2
145.06401	1.6
145.10129	6.9
147.11697	1.4
149.05998	1.1
151.07492	0.7
155.08528	4.7
156.09325	2.7
157.10130	20.0
159.08006	2.4
159.11691	7.6
161.04245	0.9
161.06039	1.1
161.13263	1.6
163.04031	1.1
163.05711	0.8
165.07155	0.8
167.05554	1.0
167.08484	0.7
168.09331	6.5
169.10057	2.2
170.10895	2.2
171.11665	2.7
173.05952	1.6
173.13228	1.4
175.05821	1.1
175.11162	4.9
177.09070	1.7
180.08128	1.1
181.10127	2.0
182.10884	1.2
183.11688	19.0
185.13258	100.0
186.05000	1.0
186.13574	3.3
187.07521	1.6
187.11168	4.8
189.07310	1.5
189.09109	2.5
191.08875	2.6
193.10080	1.4
199.11212	2.1
200.06506	1.9
201.12675	4.9
203.14319	3.7
207.08122	0.8
211.11194	4.0
215.08867	3.3
217.06438	2.2
217.10448	1.0
217.12349	0.9
219.08261	1.0
221.09581	1.8
229.12233	52.2
230.12558	1.4
233.09883	1.6
235.07616	1.1
237.09280	0.8
245.04594	1.0
247.13298	2.0
249.09138	2.4
261.09369	3.4
263.11020	1.0
267.10184	8.8
279.10468	3.7
284.12875	0.9
297.11435	1.1
304.13647	1.6
306.15179	5.8
350.14114	8.8
360.02844	0.9
368.15366	6.9
387.10471	0.8
410.16400	4.2
428.17606	4.5
446.18103	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32167	3.2
54.69875	2.7
55.01861	4.7
55.05496	6.3
56.96560	11.8
57.03412	4.4
57.85246	2.9
58.99571	9.1
61.01155	39.2
61.02908	3.6
67.05490	9.4
69.03410	9.2
69.07062	3.7
70.06591	4.4
71.63891	3.2
73.02907	7.4
79.05476	9.1
80.60424	3.5
81.03416	4.3
81.07032	12.6
85.02906	8.7
85.06572	4.0
86.99033	6.3
89.00616	38.2
91.05476	11.2
93.07043	9.9
95.04974	7.6
95.08612	5.1
97.02873	6.6
97.06523	4.0
97.10217	3.4
98.97564	3.8
103.05453	3.3
105.07016	25.3
107.04958	7.1
107.08546	9.9
109.10084	3.3
115.05484	5.0
117.00108	3.4
117.07010	11.6
119.04950	3.1
119.08585	12.9
127.03856	3.7
128.06213	5.9
128.89006	3.7
129.07010	13.1
130.07811	3.2
131.08545	34.8
133.10141	8.8
136.06143	3.4
137.05986	23.1
141.02118	3.0
141.06969	10.7
142.07785	22.9
143.08563	33.0
145.06499	7.7
145.10135	16.8
147.08095	4.0
147.11674	5.9
149.02473	3.3
151.03996	4.3
151.07509	7.9
153.07001	6.2
155.08559	15.6
157.10133	100.0
158.10471	5.7
159.08061	14.5
159.11722	18.3
161.06007	5.5
167.07043	10.1
167.08531	4.7
168.09358	34.7
169.10126	12.7
171.08128	3.6
171.11700	6.3
173.05919	3.8
173.13324	24.6
175.11226	19.0
181.04958	14.4
183.10062	5.2
183.11697	86.7
185.13300	24.1
187.07477	4.1
187.11169	15.0
199.11151	19.0
201.12755	45.8
203.10619	4.4
211.11182	14.1
215.08788	4.4
217.12196	20.0
219.13811	4.2
229.12239	95.3
243.08647	4.1
247.13243	21.5
251.78793	3.1
267.09122	8.1
279.10587	5.6
285.10062	20.3
305.12018	12.3
309.10660	3.7
323.09610	5.6
323.13223	8.4
324.11411	10.9
351.12646	48.8
369.13571	5.3
429.16492	4.9
446.12619	4.3
446.18201	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.88717	0.3
55.01847	0.3
57.03417	0.9
59.10796	0.3
61.02926	1.6
69.03076	0.3
69.03424	3.8
70.06596	0.8
71.04984	0.4
71.63051	0.7
72.08121	0.4
73.02911	0.4
77.36897	0.3
81.03423	1.7
82.81240	0.3
85.02897	9.1
86.09692	2.4
87.04462	0.6
91.03947	0.6
91.05798	0.7
95.04954	0.4
97.02878	3.6
99.04453	0.7
105.84316	0.3
109.02879	1.4
111.04433	0.3
126.94378	0.3
127.03917	2.1
127.68542	0.3
128.91161	0.3
131.04863	0.6
143.08391	0.3
145.04976	1.9
146.07634	0.4
151.03860	0.3
161.71291	0.3
167.07034	0.3
171.08035	0.5
177.39140	0.3
178.07742	4.1
179.08514	1.2
189.07016	1.2
189.09132	0.5
190.07741	1.1
191.08519	0.7
194.07451	0.3
196.08826	0.7
200.14041	0.3
205.06526	0.9
206.05424	0.7
206.07251	7.5
207.07994	0.5
209.02647	0.8
209.09473	0.6
211.11165	0.5
217.06505	0.5
218.07217	2.0
221.09605	32.4
222.09912	1.9
224.08298	1.4
234.06767	7.8
235.07391	0.9
236.08386	0.7
237.09050	0.7
239.10706	0.9
248.08633	0.3
249.09099	34.9
250.09471	1.3
252.07910	1.0
255.10190	1.5
266.11746	2.9
267.10141	100.0
268.10495	3.5
284.12698	5.6
360.02832	0.4
405.06024	0.6
429.15714	0.4
446.17950	2.5
472.47919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01871	12.2
55.05485	1.0
57.03445	6.4
61.02929	6.5
67.08959	0.9
67.57381	0.9
68.99796	4.7
69.03428	32.0
69.88166	4.8
71.04995	5.7
73.02922	11.0
79.05511	1.1
81.03416	35.4
85.02901	100.0
87.00825	34.6
87.04488	1.7
91.03956	2.7
91.05487	3.3
93.07037	3.1
93.64536	0.8
95.04962	1.3
97.02890	35.5
97.06504	1.4
98.06039	1.5
99.04449	17.9
103.03925	1.3
103.05448	5.1
105.01865	33.5
105.07026	2.9
107.04967	3.2
108.04480	9.0
109.02876	33.8
109.03603	2.0
117.01845	4.1
121.03757	0.9
121.06500	15.8
121.95314	0.9
125.02374	2.4
126.05516	3.6
127.03912	74.8
129.01826	5.1
131.04919	1.8
135.08058	2.1
137.05968	2.0
139.03990	1.0
140.04675	23.1
145.04961	44.1
147.02869	5.2
149.05957	13.7
153.05453	12.4
159.02887	29.3
159.11700	1.8
163.07544	1.3
170.37880	0.9
177.03989	2.6
181.08586	87.6
189.03935	2.5
205.08553	5.7
213.04012	4.2
230.06615	2.9
231.04990	16.4
231.13826	2.4
238.09485	1.1
247.05305	1.0
247.09554	2.7
248.07663	5.1
249.14868	1.4
265.08356	1.2
266.08920	2.8
271.09702	1.4
289.10611	1.1
319.98755	0.9
416.15790	2.0
439.20270	1.1
446.23056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01859	7.1
55.05268	3.3
55.05511	43.6
57.07079	40.9
65.83506	1.8
67.05495	22.0
69.07068	85.9
70.54646	2.0
71.08634	24.0
71.46041	1.9
79.05505	15.1
81.06589	3.5
81.07051	62.8
83.04967	6.6
83.08611	54.2
85.10169	15.0
91.05472	8.6
93.07035	38.4
95.04945	4.4
95.08607	49.9
97.06552	5.5
97.10175	28.6
105.07011	6.0
107.08591	30.9
109.06494	5.5
109.10157	27.0
111.08082	13.2
111.11720	16.6
119.08562	5.3
121.06560	5.7
121.10155	15.3
123.08054	6.1
123.11724	11.4
124.05188	6.4
125.13262	8.0
131.08551	2.2
133.10149	4.8
135.11714	12.8
135.12587	1.9
137.06001	9.7
137.09579	2.0
137.13249	5.4
139.07541	100.0
139.11140	2.0
147.11684	2.9
149.09584	3.8
149.13287	12.6
151.07602	10.8
151.14809	3.9
161.09496	2.3
161.13252	2.7
163.14832	13.6
164.07072	2.4
165.05481	16.5
165.09090	21.4
165.16483	2.7
167.06989	3.2
175.11179	4.7
177.08987	4.2
177.16393	5.1
181.08565	3.3
185.13161	2.3
189.12766	4.7
193.08563	16.4
203.10663	8.0
205.12083	2.4
217.12256	5.1
221.11646	4.5
231.13838	6.6
235.13181	2.3
289.28851	19.2
305.20834	2.8
307.29947	21.6
352.63303	2.4
399.36356	3.8
417.37198	6.5
427.35718	7.5
445.36682	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	445.3675
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
50.28092	2.2
55.01864	3.5
55.05298	2.9
55.05510	34.2
57.07076	38.1
58.34023	2.4
66.27673	2.3
67.05165	3.0
67.05500	29.2
69.03414	2.9
69.07066	69.0
70.00542	13.5
71.01380	3.0
71.04970	2.6
71.08623	35.6
73.99046	2.5
79.05497	27.8
81.03397	2.9
81.07056	82.6
83.04974	3.4
83.08615	27.4
85.10176	19.8
89.02377	6.6
91.05453	24.5
93.07042	51.8
95.04960	7.8
95.08604	100.0
97.06524	2.7
97.10163	25.5
105.07022	62.4
107.08595	73.2
109.06534	6.4
109.10153	50.1
111.11716	20.0
115.03914	3.1
117.07012	9.3
119.08582	48.4
121.06490	4.0
121.10141	48.2
123.08093	4.1
123.11702	25.2
125.13256	6.5
129.07004	5.8
131.08565	28.0
133.10124	47.7
135.08025	4.6
135.11687	37.0
137.05983	5.1
137.13251	12.0
139.07510	7.7
139.14827	3.6
143.08574	12.1
145.10118	43.8
147.11703	41.4
149.09599	8.8
149.13271	23.3
151.07567	4.8
151.14795	3.4
153.09093	2.8
155.07033	16.4
157.10121	11.6
159.11684	32.2
161.09618	4.5
161.13258	21.4
163.14833	14.8
165.09122	14.4
165.16443	3.6
169.10158	2.9
171.11691	10.8
173.09634	4.0
173.13252	17.8
175.11263	5.1
175.14780	12.6
177.09088	8.8
177.16426	6.5
179.10599	7.1
183.10274	3.1
185.13242	12.6
187.14825	10.4
189.16321	14.3
191.10748	18.7
193.12254	6.3
199.14818	9.8
201.16376	14.7
203.10686	3.1
203.18005	15.1
205.12292	8.6
207.13792	2.7
209.11624	3.3
213.16385	7.9
215.18024	3.4
217.19379	4.2
219.13809	7.4
219.21074	4.8
227.17987	9.6
231.21167	5.2
233.15413	9.8
233.22728	3.8
235.24321	3.3
245.15306	4.8
245.22714	3.5
247.24290	10.9
259.17059	2.7
261.25772	9.5
263.16406	6.1
269.18817	3.3
273.18469	5.4
287.20102	14.3
287.27286	4.2
291.19537	4.7
301.21725	4.3
305.21039	5.0
315.23026	3.4
341.31747	15.6
343.33569	21.6
367.33426	6.4
385.34656	7.9
409.34607	4.1
427.35703	49.4
437.25073	2.9
445.20160	3.6
445.30511	4.7
445.36798	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23762	4.7
53.03933	5.3
55.05507	25.2
57.07075	74.1
64.70635	5.1
66.92561	5.1
67.05495	19.0
69.07063	48.1
69.96931	31.7
71.08627	58.0
79.05492	15.8
81.07059	40.8
83.01330	12.9
83.08627	32.4
85.10175	25.2
85.62259	5.1
86.00948	5.4
91.05441	6.2
93.07021	9.3
95.04971	7.4
95.08591	32.5
97.10165	27.6
98.00722	5.0
99.04477	8.3
103.93494	5.0
105.07035	11.5
107.08590	10.6
109.06513	74.1
109.10154	23.3
111.11713	10.4
113.38080	4.8
119.08557	10.2
121.10139	7.1
123.08063	15.8
123.11708	6.5
131.08563	13.4
133.10083	15.7
135.08041	24.7
137.05971	100.0
137.09621	7.3
139.07561	24.2
142.07771	6.8
145.10139	5.1
147.11749	9.1
149.09602	16.3
151.07544	52.8
157.10158	6.2
161.09634	22.3
161.13106	6.8
163.07547	11.6
163.11253	8.8
165.09105	27.7
173.09633	11.2
175.11169	11.8
177.09137	17.6
179.10649	11.8
189.12694	12.9
191.10666	9.6
193.12306	11.1
201.12614	7.0
205.15836	5.8
207.13823	15.5
219.13840	5.6
221.15390	11.2
235.16939	10.9
249.18571	12.3
263.20087	9.6
277.21588	13.0
305.24637	7.3
319.26471	5.7
359.02756	6.8
385.34467	33.9
399.36118	39.5
403.35764	25.3
417.37280	62.0
427.35715	19.1
445.36911	15.5
463.93976	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	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01860	1.2
55.05507	1.1
57.03424	2.1
61.02922	1.4
67.05492	1.5
68.99772	0.7
69.03429	7.9
69.07034	0.7
69.48687	1.5
69.49102	4.1
70.06578	0.9
71.05000	0.7
72.08139	1.5
73.02917	1.4
79.05489	2.7
81.03407	7.8
81.07044	1.9
85.02909	11.5
85.06544	1.3
86.09700	1.5
87.00827	4.5
91.00995	0.5
91.05429	2.0
91.05846	1.0
93.07042	5.2
95.04939	0.8
95.08610	1.7
97.02902	4.5
97.06506	0.8
99.04457	2.1
102.05600	0.6
105.01860	2.4
105.07029	7.5
107.08588	30.6
109.02880	7.3
109.06523	1.3
109.10184	1.3
111.04453	0.5
119.08581	4.8
121.06475	1.3
121.10147	4.4
123.08024	0.7
123.11655	0.9
126.48982	0.6
127.03928	10.2
129.01871	0.8
131.08571	1.0
133.06473	0.6
133.10129	17.0
134.10533	0.5
135.08063	0.9
137.06017	0.7
137.09619	0.9
139.07529	1.8
143.08577	0.7
145.04947	1.4
145.10138	1.2
149.09613	3.0
151.07489	1.3
151.11163	5.8
159.02849	0.9
161.09596	6.5
163.11165	0.9
167.10674	12.8
179.10666	15.2
197.11732	100.0
198.12039	1.8
213.04018	1.1
231.05002	2.5
250.14479	0.6
283.15463	0.9
359.02640	1.0
427.16028	0.8
445.16962	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	445.2067
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
53.03938	7.2
55.01859	7.4
55.05491	8.3
56.07875	2.6
57.03441	3.8
61.02916	2.8
67.05486	8.5
69.03431	29.6
69.07054	5.3
70.06587	23.6
70.74866	10.0
70.75214	3.0
71.04985	7.4
72.08160	18.7
73.04736	13.1
79.05471	7.5
81.03394	12.0
81.07036	9.8
83.04963	4.2
83.08608	5.2
84.08149	6.6
85.02913	27.2
86.09673	9.5
91.05828	55.7
93.07030	12.5
95.04939	11.2
95.08591	8.9
97.02916	18.2
97.06548	3.8
105.07041	21.0
107.08566	6.7
108.08110	4.0
109.02857	11.5
109.06503	8.9
111.04446	10.8
111.08061	6.2
113.05977	3.2
114.07361	4.2
117.06998	4.7
119.04931	5.7
119.08566	22.6
121.06501	11.5
121.10119	3.6
123.08062	12.9
125.09689	3.9
127.03922	17.7
129.06964	7.0
129.10268	3.7
131.08528	10.4
132.08867	3.4
133.06505	4.1
133.10117	4.5
135.08037	20.9
135.21832	2.9
137.05980	6.7
137.09613	5.7
143.08560	4.0
145.04959	3.9
145.10136	10.3
147.07979	9.3
149.04469	3.7
149.05969	4.9
150.05545	3.2
151.07512	12.2
153.09076	3.6
155.08504	3.2
157.10089	5.6
159.07973	8.6
159.11662	11.2
161.09573	13.0
163.03879	3.7
163.07491	4.7
165.09109	7.9
167.05545	31.4
169.04993	4.4
169.09929	3.8
172.08890	4.9
173.09538	4.8
173.13084	3.5
175.07558	16.7
175.09741	4.4
175.11200	10.4
179.07095	5.2
181.09981	3.4
185.09586	4.1
185.13266	8.6
187.05869	3.1
187.11136	11.5
189.09219	4.4
192.06516	4.3
193.06966	4.2
193.08594	3.6
199.11171	7.6
199.20601	3.5
201.12726	10.8
203.10649	10.8
211.11128	7.0
216.97069	3.1
217.12086	8.4
219.13667	4.5
225.04192	10.7
227.02356	4.5
229.12196	13.6
229.15504	5.5
247.13266	33.9
249.11113	4.2
253.10127	3.3
265.14346	100.0
266.14224	11.6
283.53537	3.0
295.11768	4.4
342.99756	8.1
359.02817	28.7
360.02744	5.2
445.15811	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05513	10.1
57.07068	4.1
67.05502	5.0
69.07069	17.6
70.89285	1.6
71.08631	2.5
79.05492	1.6
81.07059	7.5
83.04983	0.6
83.08145	0.8
83.08614	8.8
85.10174	0.9
91.05479	1.4
93.07041	3.0
95.08603	5.7
97.10172	5.0
105.07014	2.0
107.08611	3.3
109.10153	5.7
111.04333	0.5
111.11707	2.0
117.06992	0.6
119.08559	2.9
121.06508	0.6
121.10133	2.4
122.07279	1.1
123.08090	1.0
123.11705	1.8
125.13216	0.8
131.08566	1.4
133.10143	1.3
135.08063	2.5
135.11679	1.4
137.09622	10.1
137.13249	0.9
139.07533	0.9
143.08559	0.8
145.10114	1.4
147.08043	0.5
149.09621	7.8
149.13332	0.7
151.07487	1.4
151.14758	0.7
159.07938	0.4
159.11722	1.5
161.09641	0.8
162.06760	0.8
163.11183	9.0
165.09116	100.0
166.09462	2.0
171.11688	0.6
173.09624	1.4
173.13297	0.8
175.07610	0.7
175.11162	3.9
176.08336	0.8
177.09097	5.1
177.12755	0.8
179.10701	1.3
186.10416	0.7
187.11200	1.6
189.09094	3.1
189.12799	1.6
190.09866	0.6
191.10684	5.2
193.12352	0.5
199.11166	2.5
200.11867	0.4
201.12793	1.5
203.10652	5.0
203.14337	1.1
205.12236	7.5
206.12717	0.5
215.14272	0.6
217.12270	0.9
219.13800	1.7
228.36975	0.5
231.13812	1.2
233.15297	0.8
245.15459	0.6
261.18381	0.7
289.21533	0.6
345.27722	0.5
352.75024	0.5
373.14474	0.6
387.16080	1.3
399.32477	0.8
401.18048	0.9
401.47626	0.6
403.19443	0.6
415.15353	1.4
417.21338	0.6
417.33252	0.5
427.35721	3.7
429.16855	1.0
430.17810	1.6
431.18896	0.9
445.20108	14.4
445.30090	1.0
445.36844	6.8
446.20615	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01329	5.0
56.96553	9.4
57.03453	4.5
69.03408	13.7
69.71758	37.8
70.06570	16.4
72.08162	11.3
73.02908	6.3
81.03432	6.4
84.08134	13.3
85.02882	22.3
86.06075	12.4
89.03878	5.3
94.06598	5.1
97.02885	16.9
97.36513	4.6
98.20747	9.2
98.97593	25.9
102.96887	9.3
114.10284	14.3
116.98570	9.1
120.97890	6.2
125.81963	5.7
127.03869	8.3
128.98590	7.4
131.00186	10.6
133.45692	4.9
138.05443	6.7
149.01192	11.0
163.03857	8.6
169.06256	5.5
193.00182	4.9
219.01808	6.8
237.02730	14.6
245.11417	6.9
265.02136	6.8
265.05832	10.1
283.02893	5.7
283.07004	9.3
369.17352	10.4
373.13214	5.1
383.78317	5.3
445.10999	100.0
445.17050	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	444.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23087	7.2
55.05498	15.0
61.25062	7.7
67.05492	29.0
67.60256	7.1
69.07068	50.7
72.08601	7.4
79.05488	29.6
81.07056	78.1
83.08628	10.4
91.05481	38.2
93.07033	48.6
95.05021	8.2
95.08604	56.6
105.07027	79.7
107.08632	44.5
109.10170	20.5
117.07027	18.5
119.08579	59.9
121.10152	24.6
123.11724	13.2
129.07008	10.9
131.08531	30.2
133.10127	22.0
135.11679	12.2
137.06035	7.4
139.07576	8.8
143.08531	20.0
145.10165	37.9
147.11717	24.8
155.08560	15.1
157.10136	40.0
159.11690	100.0
161.13249	89.8
162.13582	10.4
163.07462	8.1
163.14847	13.2
169.10095	14.2
171.11548	15.6
173.13255	18.0
175.14775	10.0
181.10179	9.6
183.11673	19.5
185.13185	8.9
189.12703	35.7
195.11690	17.2
197.13234	16.0
199.14761	12.2
207.13870	22.5
209.13164	18.0
211.14738	9.3
213.16302	8.9
223.14796	12.1
225.16499	17.1
229.67574	9.6
237.16380	15.3
239.17960	11.6
251.17947	12.5
253.19513	19.9
265.19470	15.8
297.18192	14.2
311.20023	11.5
321.25854	81.3
349.25040	10.3
367.26324	47.0
394.03934	9.0
421.80954	9.1
444.33688	34.9
445.29498	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	444.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39603	9.9
55.05502	15.2
67.05499	25.4
69.07066	72.2
71.04974	11.5
71.65468	10.6
79.05470	25.2
79.64401	9.5
81.03416	10.3
81.07055	69.8
83.08647	14.6
91.05458	45.8
93.07057	55.0
95.08595	50.9
105.07030	90.2
107.08569	29.5
109.10144	12.7
111.08092	13.3
117.07012	11.3
119.08591	56.8
121.06487	9.5
121.10148	25.6
131.08537	31.3
133.10103	26.5
139.07518	24.7
141.06973	12.4
143.08492	16.8
144.09335	15.4
145.10159	18.7
155.08560	23.3
157.10132	20.7
159.11685	69.7
161.13252	100.0
169.10078	17.6
171.11711	19.8
173.13226	18.7
183.11678	14.0
185.13177	14.2
189.12700	10.0
195.11728	13.8
197.13260	16.3
209.13333	13.3
211.14850	16.8
213.16504	13.0
220.69981	9.7
223.14868	14.9
239.18037	17.8
251.18019	13.9
265.19443	15.2
311.20261	16.5
321.25739	55.6
337.25580	10.2
367.26236	49.8
379.34561	9.2
380.09973	10.8
444.33664	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01862	1.7
55.05521	5.3
57.03439	7.4
58.06588	0.9
59.05005	30.9
60.04517	1.9
67.05506	1.8
69.03429	23.6
69.07067	1.1
70.06593	16.0
71.06937	1.3
71.61847	0.8
72.08150	7.8
73.02895	1.0
73.04763	1.6
73.06483	5.2
74.06084	1.0
79.05515	0.9
80.70496	0.8
81.03409	2.6
81.07039	0.9
83.04971	2.1
84.04496	1.7
84.08142	4.0
85.02901	18.5
86.07185	0.9
86.09714	5.4
87.04464	11.9
87.08056	1.2
88.03996	2.7
91.05826	9.6
93.07040	2.2
95.04970	1.4
97.02890	17.5
97.07654	1.9
98.08452	3.5
99.04468	1.1
100.08721	1.2
101.06017	69.7
102.06305	1.0
105.07049	1.7
109.02872	2.1
114.10278	1.8
115.03933	18.3
115.07567	100.0
116.07116	1.6
116.07898	1.5
117.06987	1.5
119.04930	1.1
121.02863	1.5
127.03914	3.9
129.10225	2.9
133.04980	15.1
133.08601	98.8
134.08969	1.8
136.07547	1.7
137.06000	1.7
143.08542	1.1
144.30128	0.8
145.04996	2.7
145.10138	2.5
147.04433	1.1
150.07623	1.9
152.06995	1.0
155.08307	1.1
157.10062	1.5
164.07057	2.1
167.05550	4.3
173.36140	0.8
181.10144	1.2
196.09723	1.8
199.11223	1.3
199.14406	1.1
201.12698	1.1
204.10231	1.7
215.49138	0.9
219.08054	2.1
225.04225	1.5
227.10556	1.1
231.08264	0.8
241.07230	1.2
241.10120	0.8
246.12286	1.1
246.14502	1.7
247.13213	2.6
251.10687	3.5
260.58618	0.9
264.15884	3.6
265.08627	1.5
269.73508	1.0
277.09030	1.7
306.13446	1.0
359.02869	4.7
371.50580	1.2
427.14127	1.2
427.19501	2.5
444.15771	1.2
444.22037	2.1
445.16943	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79128	3.5
53.03947	7.1
55.01868	10.0
55.05510	8.4
57.07088	4.1
58.99585	13.9
59.69220	4.1
64.12684	3.4
64.45880	3.9
65.03931	6.1
67.05507	23.4
68.05003	4.0
69.03419	17.8
69.07061	8.2
70.06583	7.5
70.47955	3.8
70.54748	12.7
70.55119	3.2
71.04989	24.4
74.00661	5.1
76.02224	31.4
79.05487	28.7
81.03388	8.1
81.07056	25.3
83.04984	11.0
84.04486	7.5
84.08146	6.0
85.01111	10.5
85.02901	5.4
85.06534	15.5
86.09698	7.4
86.99047	4.0
88.02214	38.3
88.03990	90.3
91.05467	64.7
93.07047	37.3
95.04979	29.8
95.08604	26.0
97.01106	5.4
97.02892	10.4
97.06532	18.2
99.02693	4.7
99.04452	11.5
103.05458	10.4
105.07024	81.8
106.24449	4.1
107.04948	9.2
107.08586	32.1
109.02878	5.6
109.06522	30.1
109.10161	6.9
111.02642	7.4
111.08088	5.0
112.02209	3.9
113.05968	4.1
115.05437	7.2
116.06245	6.5
117.07004	22.8
119.04953	5.7
119.08575	56.4
121.02949	4.0
121.06496	27.2
121.10153	12.2
122.02728	31.9
123.02695	3.7
123.04438	8.9
123.08071	15.2
125.00553	3.8
125.06038	3.8
125.09665	4.7
128.06210	20.2
129.07030	38.4
129.10172	3.9
130.04939	7.6
130.07756	11.9
131.08568	69.6
132.01138	8.2
133.06490	15.8
133.10104	18.1
134.02679	5.9
135.02676	6.7
135.08047	7.9
137.04213	9.2
137.05986	5.8
137.09653	6.1
141.07028	8.6
142.07793	13.8
143.08543	45.7
144.09337	5.3
145.06505	15.1
145.10132	100.0
145.42606	4.3
147.02596	6.9
147.04393	4.6
147.08015	35.3
147.11725	7.5
149.04185	9.9
149.05948	8.3
149.09607	22.8
151.05728	10.1
151.07573	5.2
153.07028	5.7
155.08542	11.2
156.09344	20.5
157.06549	6.1
157.10124	24.2
159.08069	21.3
159.11702	14.5
161.04218	36.9
161.05966	6.4
161.09621	15.4
161.13260	7.7
163.05769	11.9
163.07532	8.8
163.11183	17.3
165.05489	34.1
165.09067	5.6
167.10741	5.3
168.09306	7.3
169.10126	17.5
171.11664	46.9
173.09549	23.1
173.13249	15.6
175.05975	7.6
175.07558	19.1
175.11211	16.4
177.07411	7.1
177.09035	5.2
179.05370	4.1
179.10724	4.2
181.10095	8.6
183.11617	4.6
185.09595	5.9
187.07507	10.6
187.11180	14.7
189.07343	10.2
189.09079	7.2
189.12651	17.5
191.10736	8.3
193.08719	9.1
197.02795	4.2
197.09615	5.5
199.11148	43.4
201.09111	5.5
201.12695	8.0
203.07251	4.7
203.08913	24.5
203.10597	5.6
205.12263	7.5
207.04745	8.6
207.08321	4.6
213.07304	5.9
215.10724	16.6
217.12227	37.3
221.06473	5.0
221.09941	13.7
227.10645	19.3
231.08388	10.0
233.11882	9.0
235.07689	5.4
242.65207	3.7
245.11758	32.6
248.41934	4.2
249.09422	40.4
250.09157	3.7
263.12842	11.0
265.08545	8.6
267.10510	59.0
268.06552	5.1
275.11072	4.1
277.08954	11.3
280.36459	4.0
281.13763	6.3
285.11548	4.8
295.10019	42.0
302.12021	5.1
313.10977	28.5
320.13126	13.6
338.14120	27.6
355.12045	16.4
365.67926	4.4
366.13824	6.2
384.14780	13.8
398.16339	21.0
427.14185	16.4
444.16541	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	444.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01862	5.5
55.05517	13.1
56.05024	3.5
56.74335	2.0
56.97081	2.2
58.99570	7.0
67.05476	3.8
69.03431	19.8
69.62978	19.9
70.02940	4.6
70.06579	9.3
71.04978	2.8
72.08152	6.9
73.02882	2.8
74.00652	4.2
76.02213	7.4
76.87827	2.1
79.05492	11.5
81.07050	7.0
83.04979	23.3
84.04498	5.1
84.08127	5.0
85.01125	4.3
85.02905	5.5
86.09697	8.6
88.02204	12.8
88.03989	100.0
91.05427	20.6
93.07070	14.3
95.04971	45.5
97.01086	5.6
97.06484	2.6
99.04419	3.6
102.00121	2.3
103.05443	4.4
105.00095	2.8
105.07030	41.8
107.08600	11.3
109.06487	6.6
115.05453	4.6
115.63995	2.1
117.07003	33.6
119.04910	2.8
119.08576	15.5
120.01248	2.3
121.06480	15.3
121.10128	5.0
122.02712	15.0
123.02666	2.3
123.08045	4.1
128.06226	10.3
129.07002	17.3
129.10240	3.1
129.72960	2.2
130.05025	3.1
130.07735	4.5
131.04881	3.5
131.08586	24.8
132.01115	5.8
133.06488	9.2
133.10057	5.5
134.01811	3.6
135.08054	8.3
136.07501	3.9
137.04222	8.0
137.05983	6.7
138.08997	2.3
139.05672	2.5
141.06978	8.2
142.07759	18.7
143.08560	30.2
144.09305	3.5
145.06468	13.7
145.10110	52.1
147.02615	4.6
147.08041	9.0
147.11707	4.6
148.03416	2.6
149.04204	24.5
149.05975	4.5
149.09528	2.7
151.05748	7.8
153.07007	6.3
154.07780	4.8
155.08553	13.3
156.09343	18.4
157.06447	2.8
157.10118	28.0
158.07243	7.1
159.08026	7.1
159.11673	6.5
161.04224	25.6
161.05954	7.9
161.09695	4.5
163.05746	7.7
163.07541	17.0
163.11226	3.4
165.03668	3.8
165.06996	7.8
166.07773	10.5
167.05371	11.8
167.08456	3.4
168.09372	16.5
169.10112	11.7
170.10843	4.1
171.08034	4.1
171.11703	36.5
173.09608	30.4
173.13235	8.2
175.05865	4.5
175.07487	5.3
175.11195	4.8
177.16675	2.6
179.05170	4.0
180.09409	3.4
181.10094	39.6
182.10760	2.4
183.04742	2.5
183.08072	4.2
183.11697	28.1
184.08829	4.9
185.09547	11.3
185.25409	2.4
187.05817	3.3
187.07446	2.6
187.11154	6.5
189.05608	2.5
189.07300	6.0
191.10670	4.0
195.04771	3.1
197.09619	5.0
198.04971	14.5
199.11182	56.0
201.09125	6.7
201.12747	20.7
203.08942	11.5
203.10583	3.6
205.06766	4.4
205.12273	3.1
209.09598	4.3
213.05603	3.8
213.07330	20.1
215.08849	4.4
215.10655	14.9
217.12302	11.3
219.07950	2.8
227.10678	40.2
231.08365	14.6
233.09778	4.8
233.11864	2.9
245.11778	23.4
247.07474	3.2
249.09375	11.0
251.10626	3.6
261.09653	2.7
265.08676	3.5
277.08926	16.8
295.09921	15.0
320.13229	11.0
338.14041	5.0
355.12161	3.9
359.02893	3.1
361.91547	2.8
366.13623	10.7
367.12140	8.4
380.15234	3.6
384.14835	19.8
398.16367	4.4
426.15756	10.6
427.14258	6.6
444.16818	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	444.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05492	0.8
58.06590	1.8
67.05488	0.9
68.59770	0.8
69.03405	2.5
69.07064	1.1
70.06586	3.6
71.63304	1.0
72.08149	3.3
73.04733	0.6
79.05476	1.5
81.03400	0.6
81.07023	0.7
83.04936	1.1
84.04485	1.5
84.08131	1.5
85.02917	3.1
86.09697	5.9
88.03984	1.5
91.05808	1.2
93.07039	0.7
95.04955	1.0
95.08616	1.2
97.02913	1.4
98.06087	1.2
99.04478	0.7
105.07018	1.8
107.04958	0.9
109.06504	0.6
117.07012	1.4
119.08559	1.2
120.08085	1.0
121.10091	0.8
123.08062	1.0
127.03937	0.9
129.07022	0.6
129.10219	1.1
131.08554	1.7
135.07994	0.6
136.06218	0.9
136.07558	1.6
137.05879	0.8
143.08514	0.9
143.99092	0.6
144.06560	1.0
145.10086	1.3
147.04410	1.0
147.11705	0.8
153.09109	0.7
155.08569	1.0
157.10107	0.7
161.09297	0.6
165.07004	0.7
171.11699	0.6
179.08578	2.2
181.06491	0.7
181.10071	1.4
183.11711	1.3
186.12764	2.0
189.07008	2.5
191.08527	1.9
194.07257	0.9
196.09746	0.6
199.11118	1.3
201.12793	0.8
204.13927	0.7
205.06619	0.8
207.08046	31.6
209.09618	3.8
212.16422	0.6
218.07268	0.9
219.08112	3.7
219.10017	0.8
227.10658	1.2
235.07536	30.7
236.08020	1.0
237.05635	0.7
237.09111	2.0
245.07289	0.9
245.11749	0.9
246.14899	0.6
247.07535	2.1
247.09758	0.8
248.08286	1.4
264.16025	1.7
265.08594	100.0
266.08890	2.2
277.08868	0.8
280.13647	0.6
282.10962	0.6
299.77457	0.6
337.93173	0.7
359.02686	1.5
368.30737	0.6
426.05453	1.1
427.13870	66.7
428.14240	2.8
444.16779	4.6
444.21970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05506	9.3
58.06603	4.2
58.99582	7.3
67.05502	4.2
69.03427	17.5
69.07059	3.6
69.81658	16.6
70.02951	6.0
70.06583	9.3
71.04997	5.0
72.08167	6.3
74.00662	3.7
75.28808	2.2
76.02227	8.4
79.05499	9.1
81.07047	6.7
83.04976	20.6
84.04528	5.1
84.08133	3.0
85.01096	4.2
85.02890	3.6
85.06522	2.6
86.00615	3.0
86.09709	25.2
88.02217	13.9
88.03989	79.4
91.05448	21.0
93.07036	17.7
95.04964	31.2
95.08602	3.5
97.01115	5.6
97.02886	3.2
98.21475	4.6
103.05482	3.2
105.07021	38.2
105.08110	2.4
107.04914	3.2
107.08595	14.1
109.06506	5.6
115.05412	5.9
117.07019	31.7
119.08598	14.8
120.08120	3.3
121.06509	9.2
121.10139	4.1
122.02746	18.6
128.06190	11.7
129.07013	19.7
130.04953	4.0
130.07777	9.7
131.08560	28.4
133.06499	9.4
133.10149	4.6
134.02689	3.5
135.02652	2.9
135.08041	7.3
137.04240	2.6
139.05779	3.2
141.06970	8.7
142.07777	22.2
143.08562	32.8
144.06586	3.5
144.09384	2.6
145.06433	18.5
145.10117	43.7
147.04424	3.6
147.08038	6.3
148.03450	4.2
149.04182	30.1
149.06024	9.0
149.09642	2.9
153.06989	7.6
154.07817	3.5
155.08571	16.1
156.09343	17.4
157.06583	3.3
157.10139	32.0
158.07281	4.8
159.08096	9.8
159.11713	9.2
161.04214	20.4
161.05980	5.0
161.09386	5.1
163.05881	6.2
163.07542	17.8
165.07077	7.4
166.07813	9.1
167.05354	8.3
167.08546	5.8
168.09378	9.8
169.10135	10.9
171.08070	6.0
171.11676	41.0
173.09621	26.9
173.13338	7.2
175.05849	4.5
175.07497	5.9
179.08627	4.3
181.08675	5.7
181.10126	36.9
183.08060	2.9
183.11685	27.6
184.08826	5.6
185.09657	10.4
185.12997	3.0
187.07478	5.3
187.11166	5.5
189.07198	4.9
191.05342	2.9
191.08655	5.8
191.10651	4.3
195.04779	4.7
197.09605	7.0
198.05052	13.2
199.11162	54.6
201.07436	3.9
201.09158	10.9
201.12738	24.6
203.08905	15.5
203.10661	5.8
205.06831	3.7
205.10355	3.2
207.08032	26.1
209.09668	11.4
213.07336	17.1
215.08897	3.2
215.10764	9.0
217.12242	15.5
219.08115	5.5
227.10652	42.0
231.08444	11.0
233.09805	4.9
235.07561	28.3
242.14911	4.5
245.11749	29.6
247.07545	5.8
249.09378	8.0
259.07877	3.7
262.92249	2.5
263.12854	5.1
265.08575	100.0
266.08694	3.9
267.10608	3.7
274.12704	3.9
277.08838	13.3
295.09903	15.4
302.12180	3.5
309.11578	3.0
320.13205	9.9
338.14178	7.6
348.12671	5.5
349.11145	2.8
355.12048	3.1
366.13730	10.9
367.12146	4.4
384.14761	16.2
398.16354	4.8
426.15912	6.6
427.13907	62.4
444.16769	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	443.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13190	3.3
53.03936	5.4
55.05497	13.8
55.23348	3.2
57.07077	6.9
67.05494	27.3
69.07066	46.4
70.77858	12.2
70.78254	7.3
71.04981	5.4
79.05494	28.5
81.03409	4.2
81.07051	68.6
83.04944	4.2
83.08614	11.0
85.06536	14.6
91.05479	38.8
93.07034	73.6
95.04961	9.6
95.08598	66.4
97.06547	6.4
99.11832	3.9
105.07025	100.0
107.08582	64.4
109.06504	7.4
109.10187	19.0
111.08067	8.0
113.09713	3.7
115.05430	5.9
117.07012	24.0
119.04929	5.7
119.08575	56.6
121.06508	15.8
121.10136	31.7
123.08073	6.8
123.11697	7.5
125.04059	3.5
128.06160	10.6
129.06982	16.0
130.07829	4.5
131.08543	40.4
131.12372	3.0
133.06479	5.4
133.10115	38.0
135.04388	5.3
135.08038	9.3
135.11708	14.8
137.05905	3.7
137.09642	5.6
139.07527	14.3
141.06981	6.5
142.07799	24.8
143.08536	30.9
144.09317	11.7
145.06435	5.4
145.10097	41.3
147.08037	12.7
147.11665	31.8
149.06030	6.3
149.09604	4.5
149.13257	14.4
151.07500	5.0
153.06999	4.2
155.08560	24.5
156.09326	7.4
157.10112	63.7
158.10739	5.4
159.08051	6.7
159.11676	75.2
161.09593	9.4
161.13252	25.7
163.07484	4.3
163.11159	5.3
163.14754	10.2
165.06967	5.2
167.08556	6.2
169.10159	24.9
171.11696	19.7
173.09631	6.0
173.13254	14.9
175.11191	42.9
177.09145	3.9
177.12715	20.9
179.14331	12.7
180.09273	5.3
181.10094	13.8
182.10890	5.5
183.11678	20.4
185.13214	18.8
187.11234	8.1
187.14838	7.3
189.09018	6.8
189.12717	35.0
189.16417	5.2
191.14322	8.5
193.10176	4.8
193.12085	4.9
194.10907	6.9
195.11656	18.8
196.12405	4.3
197.13176	25.4
199.10925	5.3
199.14806	12.9
201.12767	13.6
201.16449	7.0
203.14368	6.8
205.12222	5.4
207.11800	6.9
207.13786	12.2
207.15575	4.1
209.13266	28.7
211.11325	3.8
211.14828	27.4
213.12704	6.5
213.16383	8.0
219.11659	4.6
221.13240	11.1
223.14783	17.4
225.16452	10.3
227.17847	6.0
229.12251	16.0
229.15773	8.4
235.14923	4.9
237.16359	8.0
239.17978	6.8
241.15840	4.5
241.19440	6.9
243.21201	3.7
251.17984	20.0
253.19511	13.9
257.15448	9.0
263.18011	9.6
267.17245	4.7
269.18994	35.1
271.16861	3.6
277.19562	6.5
279.21002	9.0
281.18900	5.8
287.20145	5.8
295.24072	4.9
297.18478	10.1
297.22122	4.5
309.18246	5.8
309.25864	5.7
311.20026	4.5
315.19638	9.4
319.24100	10.0
321.25641	5.4
323.04236	3.9
337.25201	34.9
347.23654	9.0
355.26321	10.0
365.24768	26.0
383.25659	29.3
401.26843	10.7
443.27908	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	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.9
55.05505	14.2
58.88842	4.0
65.33738	4.3
67.05502	24.7
68.24289	3.9
69.01935	4.9
69.07069	84.7
70.02804	5.0
70.03107	28.4
72.98271	5.9
79.05499	23.3
81.07045	45.1
83.08624	7.5
85.06541	20.7
91.05470	36.4
93.07042	63.4
95.04969	5.4
95.08609	58.9
97.06514	6.7
105.07027	100.0
105.07685	8.1
107.08593	58.1
109.10162	14.4
111.08060	11.9
117.07008	20.1
119.08571	61.6
121.06499	11.7
121.10147	26.6
123.11689	11.1
125.05991	6.5
129.07013	16.4
130.89940	4.4
131.08575	36.1
133.10123	54.7
135.08084	8.4
135.11708	32.2
139.07533	54.0
141.06941	5.5
142.07774	23.5
143.08559	21.7
144.09265	6.0
145.10136	31.8
147.11688	19.5
149.13313	6.9
151.07521	13.6
155.08574	18.2
157.10118	46.7
159.11691	59.1
161.13258	55.3
163.11284	5.8
163.14862	13.9
167.08484	4.9
169.10164	22.2
171.11681	21.6
173.13290	13.7
174.06763	5.1
175.11191	35.2
175.14749	8.3
177.12750	36.5
179.08577	10.8
181.10161	13.4
183.11624	22.6
185.13234	11.6
187.11441	5.6
187.14857	12.1
189.12688	8.5
191.14125	5.8
194.10851	5.9
195.11671	30.8
197.13271	23.4
199.14890	8.4
201.12843	8.5
203.14526	4.7
205.12326	6.8
206.19139	4.6
207.11763	8.5
207.13835	14.3
208.12535	5.4
209.13269	22.7
209.51564	5.4
211.14799	17.8
213.16319	6.7
221.13280	14.0
223.14780	13.7
225.16382	12.6
227.14320	5.6
227.17923	5.3
229.12213	6.4
229.15883	5.2
233.13280	7.8
235.14890	8.1
239.17883	7.4
249.16484	10.1
251.17966	17.1
253.19839	6.7
263.18082	18.1
265.19495	8.1
269.18939	22.7
273.05756	5.5
279.21011	10.6
281.19122	11.7
285.18399	5.2
295.24203	7.3
297.18527	24.2
309.18491	8.3
315.19443	32.8
319.24216	22.1
321.26019	5.4
327.19363	7.0
337.25253	58.0
341.24677	9.6
349.30838	5.0
355.26349	14.4
365.24780	36.3
375.21616	9.0
383.25958	36.9
443.27853	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	10.7
67.05505	32.1
69.07067	63.5
70.41991	28.8
71.04988	7.4
71.27542	7.3
75.90726	8.1
79.05476	25.6
81.07049	61.7
82.75609	7.8
83.08646	12.8
85.06548	31.8
91.05477	36.5
93.07047	87.2
94.97337	8.0
95.04987	10.7
95.08614	66.5
98.43544	7.4
105.07037	100.0
107.08593	78.0
109.10172	29.7
117.07011	15.5
119.08600	83.4
121.10153	52.9
122.45301	8.3
123.11720	11.9
126.26485	8.3
128.06168	9.3
128.85016	9.2
131.08566	52.1
133.10147	52.9
135.08073	15.1
135.11707	26.9
139.07574	22.7
142.07767	16.5
143.08537	33.4
145.10109	42.6
147.11700	34.1
149.09698	8.9
149.13252	9.7
155.08571	18.2
157.10149	64.5
159.07968	11.1
159.11662	58.2
161.13297	53.0
163.11150	9.2
163.14841	18.2
169.10168	30.5
171.11732	20.7
173.09593	9.5
173.13289	19.6
175.11191	51.1
175.14922	9.5
177.12750	31.0
179.14302	12.2
180.09441	8.9
181.10101	14.5
182.10838	10.2
183.11656	25.5
185.13312	19.2
187.11153	8.7
187.14799	10.0
189.12802	25.1
191.14287	9.6
195.11736	28.5
197.13275	29.4
199.11278	8.2
199.14897	19.2
201.12735	12.6
207.12022	10.4
207.13800	32.6
209.13292	31.3
211.14838	22.5
213.16451	19.1
221.13252	22.1
223.14871	21.2
225.16295	11.9
227.18030	13.3
235.14847	12.2
237.16356	23.4
239.17984	18.5
241.19511	14.0
249.16582	13.9
251.17989	31.5
253.19649	14.8
255.21021	9.5
263.17969	20.3
265.19604	15.6
269.18961	47.1
274.20947	9.1
277.19678	13.8
281.18924	20.5
287.20020	16.4
295.21033	9.2
295.24210	20.5
297.18619	21.3
315.19534	22.5
319.24252	21.8
321.25708	11.5
337.25168	69.9
339.26807	15.7
341.24881	18.7
347.23584	9.6
355.26358	9.9
365.24890	44.3
383.25763	25.4
443.28339	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	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.6
67.05499	30.2
69.07066	72.9
70.73571	3.5
70.99001	9.4
70.99351	6.2
71.04983	5.8
71.56957	3.8
79.05486	33.8
81.07043	54.0
83.04969	7.7
83.08604	8.4
85.06549	25.2
91.05482	62.4
93.07040	70.7
95.04971	14.3
95.08046	7.1
95.08604	75.0
97.06551	7.0
105.07027	100.0
107.08600	53.5
109.06492	5.1
109.10140	17.2
111.08073	7.0
115.05450	7.5
117.07004	34.2
119.08583	63.7
121.06456	9.1
121.10135	28.7
123.11738	4.9
129.06998	31.0
131.08568	58.5
133.10124	63.8
135.08049	15.3
135.11676	24.4
137.09631	8.3
139.07516	13.3
141.06987	7.9
142.07790	33.8
143.08560	28.8
145.06448	5.7
145.10138	50.3
147.08083	10.8
147.11710	30.2
149.09581	6.4
149.13278	10.3
155.08572	24.1
156.09352	7.6
157.10130	64.9
159.11681	58.3
161.09590	7.4
161.13248	32.4
163.11105	8.3
163.14825	14.4
165.06989	8.5
165.09120	21.9
167.08620	9.1
169.10114	27.9
171.11722	22.9
173.09604	10.1
173.13242	19.4
175.11191	71.3
175.14778	6.6
177.12720	9.1
179.08499	9.7
179.14244	5.8
181.10110	19.2
183.11691	24.1
185.13228	21.4
187.11176	16.3
187.14809	10.8
189.12701	54.8
190.13463	8.9
191.10646	5.4
191.14308	34.5
193.10081	6.4
194.10820	7.3
195.11716	25.5
197.13219	18.5
199.14789	15.2
201.12732	7.5
201.16336	7.2
207.11815	8.6
207.13716	6.2
208.12373	8.3
209.13248	21.2
211.14758	37.2
213.16356	9.2
221.13300	12.3
223.14772	19.4
225.16347	10.6
227.17963	4.9
229.15784	5.5
235.14714	4.8
237.16339	11.1
244.56784	4.4
249.16396	8.3
251.17928	37.0
253.19485	10.1
259.32922	4.5
263.17972	17.3
265.19305	6.2
269.19034	41.5
277.19482	9.2
279.21039	16.7
281.18964	10.5
285.18427	4.7
295.24115	5.8
297.18576	5.6
307.20529	6.7
315.19617	7.0
319.24228	19.1
321.25714	6.5
326.60690	4.9
329.21393	4.8
337.25192	41.5
341.24722	6.5
347.23465	12.1
365.24759	38.1
383.25897	31.3
397.27618	6.9
424.55719	4.3
443.27917	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.6
67.05492	20.3
69.07067	100.0
69.54089	48.8
78.27194	5.4
79.05486	14.7
81.07056	37.0
83.08611	7.8
85.06550	16.4
91.05471	27.2
93.07039	62.4
95.08610	62.6
97.06528	8.6
105.07023	61.1
107.08586	42.6
109.06561	6.2
109.10139	16.8
111.08068	8.3
117.07007	9.2
119.04941	6.2
119.08594	42.2
120.53865	5.6
121.10129	37.3
123.11706	8.6
129.06955	10.4
131.08589	34.3
133.06505	8.3
133.10094	34.5
135.11693	26.0
139.07530	15.0
141.06961	6.2
142.07767	10.0
143.08565	26.1
145.06497	8.3
145.10121	47.2
147.11726	32.7
149.13226	7.2
155.08569	21.9
156.09393	6.3
157.10126	46.2
159.11693	47.8
161.09685	7.8
161.13264	29.4
163.14767	10.7
165.07001	6.8
169.10103	28.2
171.11708	28.4
173.13246	20.9
175.11208	18.4
175.14818	6.3
177.12755	11.6
179.08691	8.2
181.10126	18.8
182.10916	6.7
183.11716	30.5
185.13248	15.3
187.14859	14.2
189.12726	10.0
193.10100	5.9
194.10941	5.7
194.14844	5.3
195.11662	19.7
197.13191	33.3
199.14771	20.7
201.16335	6.9
205.73439	5.5
209.13248	27.3
211.14803	20.6
212.15523	7.0
213.16353	21.5
219.13805	6.1
221.13203	8.6
223.14824	19.1
225.16281	13.8
227.18002	13.7
228.18776	8.6
229.12244	12.9
237.16429	15.4
239.17900	15.9
242.20280	7.5
249.16457	9.5
251.17889	18.0
252.18698	20.0
253.19539	20.7
263.17960	12.7
265.19611	7.9
267.17307	6.2
269.18958	37.8
270.19699	24.6
279.21060	11.6
281.18967	17.1
285.18393	6.6
287.20157	14.6
295.24213	22.3
297.18454	7.1
299.20087	6.4
309.18439	6.5
315.19327	14.7
319.24216	14.4
320.29071	5.6
337.25247	46.2
339.27121	6.4
341.24826	45.4
341.39612	7.0
355.26385	7.0
365.24634	54.1
383.25803	26.7
401.26730	14.3
443.28119	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.0
67.05498	27.2
69.07066	82.8
70.60313	16.0
79.05490	27.4
81.07052	53.5
83.08613	7.1
85.06550	32.5
91.05471	40.1
93.07037	62.7
95.08600	46.6
97.06506	7.5
97.10165	6.3
100.43800	4.5
102.97520	3.8
105.07026	100.0
107.08585	56.8
109.06464	8.5
109.10160	14.4
111.08057	7.6
117.06992	20.4
118.04033	4.5
119.08579	75.0
121.06516	13.8
121.10156	31.2
123.07994	5.8
123.11715	9.5
125.05961	8.1
128.06248	5.5
129.06987	8.6
131.08559	38.3
133.06467	7.4
133.10130	43.4
135.07974	4.7
135.11725	24.4
137.05946	7.3
137.09656	4.5
139.07527	47.6
141.06970	8.4
142.07751	18.8
143.08586	26.4
145.10100	34.7
147.08052	7.7
147.11682	18.9
149.13290	10.9
151.07562	11.7
155.08557	18.0
156.09283	5.4
157.10110	55.5
159.11699	60.3
161.09596	4.8
161.13243	53.4
163.11226	4.6
163.14755	9.7
167.08519	5.3
168.09344	5.1
169.10091	29.3
171.11691	22.8
173.13258	15.1
175.11140	34.7
175.14865	4.8
177.12741	25.3
180.09305	5.1
181.10078	17.5
183.11728	26.4
185.13255	14.4
187.11230	8.7
187.14821	6.4
189.12762	16.7
191.14258	6.3
193.10196	8.6
194.10934	4.6
195.11661	26.7
197.13263	15.2
199.14809	9.8
201.12718	5.1
203.14224	5.2
205.10403	4.4
205.12146	7.8
207.11838	9.8
207.13832	20.4
208.12456	5.5
209.13252	24.8
211.14781	22.6
213.16437	9.6
221.13295	9.5
223.14832	21.2
225.16360	8.4
227.14206	6.2
227.17931	9.1
229.12346	5.0
235.14865	6.5
237.16434	8.8
239.17886	6.0
241.15901	6.6
249.16402	12.1
251.17976	24.3
252.18622	7.1
253.19521	5.7
256.04474	5.1
257.15207	7.4
263.17801	9.4
265.36420	4.7
267.17465	5.9
269.18945	39.3
279.20947	5.2
281.19025	12.9
285.18527	6.0
287.19955	8.9
295.24265	6.0
297.18561	23.5
299.20007	8.0
309.18478	6.3
315.19601	41.3
319.24136	20.0
321.25797	9.4
325.21667	4.9
327.19623	6.1
337.25266	71.6
341.24753	7.9
355.26410	7.8
365.24716	44.2
375.21671	18.3
383.25848	12.7
443.27960	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	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	12.8
55.01851	10.3
55.05509	31.9
57.03435	26.1
61.02633	4.4
61.02924	58.3
64.43196	3.8
65.03925	4.4
67.05166	4.5
67.05505	72.3
69.03108	4.5
69.03426	42.2
69.07057	28.0
70.06571	4.3
71.04994	7.8
71.26318	7.9
73.02914	27.8
79.05058	5.2
79.05492	91.9
81.03412	38.4
81.07054	74.6
83.04974	24.9
83.08607	14.0
85.02901	53.8
85.06532	10.5
91.03960	22.8
91.05479	75.5
93.07043	100.0
95.01301	3.9
95.04974	28.4
95.08124	3.7
95.08610	43.6
97.02892	41.6
97.06532	16.6
97.10122	4.8
99.04445	11.9
99.08087	3.9
101.02359	10.3
103.03918	9.4
105.04507	3.7
105.06369	5.8
105.07028	69.5
107.04956	27.1
107.08586	33.2
109.02874	17.1
109.06509	12.7
109.10126	15.0
111.04413	5.1
111.08062	6.6
115.05447	4.7
117.07018	14.1
119.08569	34.2
121.06487	7.7
121.10150	16.8
123.08037	11.2
127.03935	31.1
128.06207	6.5
129.06998	27.1
131.04900	6.8
131.08536	10.5
133.06483	5.6
133.10136	25.8
135.07997	5.0
135.11667	9.2
137.05957	6.2
137.09608	5.2
143.03389	3.6
143.08574	16.4
145.04944	6.4
145.10118	15.9
147.11682	67.6
149.09444	4.6
151.07536	9.9
157.10097	8.7
159.08038	6.6
159.11702	8.4
161.05963	5.2
161.09592	12.8
161.13271	23.4
163.03880	7.0
165.09149	20.5
167.07018	8.1
171.11691	57.8
177.09065	4.8
177.12770	4.1
189.12782	27.8
191.10710	7.5
201.16345	3.8
205.12204	5.1
207.13800	57.5
221.15417	4.2
259.09415	4.2
278.09055	4.2
281.17453	76.3
282.17758	4.0
287.16263	7.1
309.17358	4.1
323.18622	5.8
425.21735	4.3
443.16623	8.6
443.22482	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	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	12.8
55.01851	10.3
55.05509	31.9
57.03435	26.1
61.02633	4.4
61.02924	58.3
64.43196	3.8
65.03925	4.4
67.05166	4.5
67.05505	72.3
69.03108	4.5
69.03426	42.2
69.07057	28.0
70.06571	4.3
71.04994	7.8
71.26318	7.9
73.02914	27.8
79.05058	5.2
79.05492	91.9
81.03412	38.4
81.07054	74.6
83.04974	24.9
83.08607	14.0
85.02901	53.8
85.06532	10.5
91.03960	22.8
91.05479	75.5
93.07043	100.0
95.01301	3.9
95.04974	28.4
95.08124	3.7
95.08610	43.6
97.02892	41.6
97.06532	16.6
97.10122	4.8
99.04445	11.9
99.08087	3.9
101.02359	10.3
103.03918	9.4
105.04507	3.7
105.06369	5.8
105.07028	69.5
107.04956	27.1
107.08586	33.2
109.02874	17.1
109.06509	12.7
109.10126	15.0
111.04413	5.1
111.08062	6.6
115.05447	4.7
117.07018	14.1
119.08569	34.2
121.06487	7.7
121.10150	16.8
123.08037	11.2
127.03935	31.1
128.06207	6.5
129.06998	27.1
131.04900	6.8
131.08536	10.5
133.06483	5.6
133.10136	25.8
135.07997	5.0
135.11667	9.2
137.05957	6.2
137.09608	5.2
143.03389	3.6
143.08574	16.4
145.04944	6.4
145.10118	15.9
147.11682	67.6
149.09444	4.6
151.07536	9.9
157.10097	8.7
159.08038	6.6
159.11702	8.4
161.05963	5.2
161.09592	12.8
161.13271	23.4
163.03880	7.0
165.09149	20.5
167.07018	8.1
171.11691	57.8
177.09065	4.8
177.12770	4.1
189.12782	27.8
191.10710	7.5
201.16345	3.8
205.12204	5.1
207.13800	57.5
221.15417	4.2
259.09415	4.2
278.09055	4.2
281.17453	76.3
282.17758	4.0
287.16263	7.1
309.17358	4.1
323.18622	5.8
425.21735	4.3
443.16623	8.6
443.22482	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	443.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03619	0.4
54.70173	0.5
55.05497	1.1
67.05473	1.6
69.07047	1.3
69.95021	0.5
69.95422	2.8
79.05470	0.9
81.07032	2.0
83.04932	0.5
83.08610	0.7
91.05464	1.2
93.06997	1.0
95.08582	2.1
97.02894	0.5
97.06526	1.3
105.07006	1.4
107.04852	0.7
107.08582	1.1
109.10112	1.8
113.56326	0.5
117.07036	0.6
119.08549	0.9
121.10112	0.6
123.11663	0.7
131.08562	0.6
134.29062	0.4
135.11736	0.7
137.05956	0.8
137.09596	1.7
143.08554	0.7
145.10092	0.6
149.09615	0.9
149.13194	0.6
151.07495	1.9
153.58438	0.4
159.11705	0.5
160.66762	0.5
161.05969	0.6
165.09122	13.3
167.07034	0.9
175.11128	0.6
177.09026	0.7
177.45413	0.5
187.07513	0.9
187.11342	0.6
189.05222	3.6
189.08981	0.6
205.12228	2.1
219.06271	8.8
231.06300	1.7
232.07233	0.5
233.07848	0.7
234.08618	100.0
235.09361	12.1
241.08530	0.6
252.09697	0.9
275.11368	2.7
311.12842	1.0
325.97302	0.5
412.14792	0.8
413.15784	1.7
443.16766	34.1
444.17059	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.3
55.01872	17.6
55.05521	21.7
57.03434	8.7
57.07070	6.8
58.85851	3.9
61.02919	6.2
67.05499	25.6
68.48964	4.4
69.03429	50.5
69.07066	29.3
70.95357	8.7
70.95750	7.6
71.04987	11.8
73.02901	11.1
79.05474	20.8
81.03415	48.2
81.07051	72.3
83.08620	16.7
85.02903	100.0
85.06564	6.8
87.00823	45.8
91.03962	3.8
91.05469	24.5
93.07046	41.0
95.04993	9.3
95.08601	68.8
97.02898	35.7
97.06542	9.9
98.98962	3.7
99.04439	21.1
105.01878	17.4
105.07024	35.0
107.04953	6.5
107.08598	56.4
109.02876	33.5
109.10148	48.6
111.04453	10.3
115.03925	11.9
117.01853	6.7
119.08566	28.8
121.10147	71.4
123.11707	38.4
125.02373	4.2
127.03914	63.8
129.01805	4.0
131.08527	11.9
133.10162	22.4
135.11694	39.3
137.13226	43.4
139.68057	4.1
143.08502	5.7
145.04979	20.8
145.10167	10.0
147.02910	4.7
147.11668	15.7
149.13272	12.1
155.08591	4.8
157.10138	8.4
159.02917	28.5
159.11731	13.7
161.13261	21.8
163.14861	6.2
171.08052	4.3
171.11659	6.7
173.13173	4.4
175.14873	23.3
177.16388	95.5
179.17986	17.9
185.13380	5.3
187.14827	8.9
189.16408	6.5
193.15886	5.3
195.17432	9.7
199.14827	4.5
201.16301	6.1
205.15919	6.1
219.17474	5.4
227.14352	4.1
231.05075	6.6
272.35907	4.5
284.11276	8.4
285.18488	12.2
303.19733	6.3
353.96683	4.3
389.19717	7.5
407.20630	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	442.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70762	0.8
53.03952	1.0
55.05503	1.4
66.26134	0.7
67.05494	2.1
69.03425	1.0
71.04994	4.2
71.64982	0.8
71.65354	1.2
79.05473	3.0
81.03395	0.7
81.07050	3.9
83.00204	0.9
85.06516	0.9
90.16385	0.7
91.04957	1.0
91.05479	11.5
93.07056	4.0
95.04964	2.7
95.08607	1.1
97.06544	1.6
103.05424	1.5
105.07030	16.8
107.08585	3.7
109.02888	1.7
109.06508	0.8
109.10192	0.9
115.05446	2.3
117.07011	8.4
119.03552	0.9
119.08568	5.5
121.06511	2.1
121.10117	0.9
123.08048	0.7
128.06215	5.3
129.07013	7.9
130.07816	2.6
131.08565	17.9
133.10126	3.3
135.04468	1.0
135.05328	3.7
135.08044	1.0
136.06180	100.0
137.04555	0.7
137.05853	0.9
141.06967	1.6
142.07774	5.3
143.08553	16.4
145.06500	3.1
145.10107	9.2
147.08040	1.7
148.06145	5.3
149.05933	0.9
149.06979	2.3
149.09563	1.8
153.06941	1.0
155.08546	3.5
157.10127	9.1
159.08051	3.2
159.11700	4.5
161.09607	1.8
162.07730	1.1
167.06990	1.1
168.09349	4.4
169.09947	0.7
171.07988	2.0
173.05981	1.5
173.13252	2.8
174.07744	0.8
175.07524	0.9
175.11188	3.5
175.14726	0.8
183.11682	10.1
185.13235	15.6
187.11162	1.0
189.09157	1.1
190.07135	1.0
201.12755	5.5
203.14342	2.2
204.08946	0.8
211.11128	1.5
229.12228	7.6
232.08289	1.0
247.13393	1.5
281.72821	0.8
312.14520	1.7
336.18036	1.5
350.22366	1.0
364.17661	4.7
382.18713	39.3
383.18948	1.3
400.19733	1.7
424.19348	1.2
442.20840	61.5
443.20734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
53.37925	2.4
54.66217	2.9
55.05510	15.6
55.23735	2.1
57.07088	2.6
67.05500	24.5
69.07065	39.8
69.90499	14.5
77.76395	2.5
79.05488	28.3
81.07056	35.2
83.04978	5.3
83.08602	7.2
85.06541	20.4
91.05465	41.0
93.07038	45.2
95.04959	10.6
95.08604	28.8
97.06527	7.2
98.21480	3.3
103.05439	4.1
104.14431	2.4
105.07025	100.0
106.07355	4.1
107.08588	49.4
109.06531	6.7
109.10158	17.7
114.07152	2.4
115.05453	6.8
117.07010	28.4
119.08579	59.5
121.06501	8.9
121.10133	30.0
123.08055	4.3
123.11665	4.9
125.09556	2.5
128.06221	7.3
129.06982	22.8
130.07777	5.7
131.04938	2.7
131.08562	41.3
133.10121	44.8
135.04436	3.4
135.08020	7.8
135.11679	22.9
137.09547	3.3
141.06947	7.8
141.39667	2.5
142.07788	22.2
143.08560	34.6
144.09323	11.1
145.06488	4.6
145.10112	45.1
147.08072	5.9
147.11688	20.2
149.05981	19.4
149.09589	4.0
149.13234	5.8
151.07613	3.2
151.11151	2.5
153.06982	3.0
154.07761	4.4
155.08545	26.8
156.09344	11.2
157.10136	44.1
159.08069	4.8
159.11688	92.7
161.09637	7.0
161.13275	31.8
163.11140	3.3
165.07001	7.5
166.07811	2.8
167.08557	16.5
168.09315	6.7
169.10144	27.1
170.10823	5.9
171.08046	3.8
171.11707	28.2
173.09624	7.0
173.13284	18.5
175.11182	15.3
175.14799	6.5
177.12733	9.7
178.07782	3.4
179.08571	12.7
180.09303	8.6
181.10132	21.4
182.10893	6.8
183.11685	32.3
185.09628	3.9
185.13293	18.8
187.07507	2.6
187.11186	23.8
187.14821	8.9
189.09059	2.7
189.12750	11.9
191.08516	4.0
192.09335	8.5
193.10123	16.0
194.11012	6.9
195.11665	32.9
196.12398	7.6
197.13258	21.7
197.63049	2.8
199.11108	4.5
199.14760	19.5
201.12747	7.3
201.16377	3.2
203.10655	3.0
203.14342	2.7
204.09398	2.6
205.10358	3.5
205.12230	54.7
206.10904	10.5
207.11728	23.1
207.13608	5.1
208.12370	5.1
209.13214	29.2
210.13925	4.1
211.11214	3.5
211.14789	27.9
212.15392	3.6
213.12746	6.6
213.16377	4.4
215.14188	3.9
217.10056	3.8
217.12213	2.4
218.10951	3.4
219.11670	12.6
220.12558	5.1
221.13245	24.8
222.13879	6.0
223.14810	23.8
225.12794	6.6
225.16344	12.8
227.10574	3.3
227.14276	7.7
227.18100	3.6
229.12120	12.8
229.15839	3.1
231.11740	3.8
232.12451	3.6
233.13229	7.2
234.14053	6.2
235.05078	2.4
235.14796	16.6
236.15511	5.0
237.12741	4.6
237.16396	19.0
239.14345	5.5
239.17915	7.9
243.13773	4.3
245.13280	3.4
246.14124	3.2
247.14828	10.1
248.15727	6.1
249.16307	13.5
250.16978	3.8
251.14366	2.7
251.17963	13.5
253.12238	2.7
253.15811	4.1
253.19604	5.7
261.16403	16.4
263.17981	13.8
264.18719	5.0
265.19598	6.0
267.17398	6.3
269.19073	2.8
275.17892	4.5
277.19449	21.9
279.17426	14.0
279.21036	8.4
281.18985	3.2
289.19385	3.5
293.19427	3.8
293.22635	21.4
295.17203	2.5
295.20544	4.0
297.18420	4.3
307.16965	3.1
307.24121	3.9
313.18018	3.3
317.22641	20.0
319.24191	18.3
323.20038	3.7
325.18155	4.3
335.23685	63.8
336.23914	4.4
337.25220	15.0
339.23276	7.7
345.21924	3.2
353.24695	20.1
363.23102	25.3
381.24200	22.3
395.25800	5.7
399.25290	7.0
441.26187	15.6
460.70462	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74758	4.2
53.03938	5.5
55.05489	18.7
57.41294	4.0
59.04984	4.0
65.63819	3.9
67.05506	32.6
69.07044	18.7
71.05000	5.2
71.65765	7.0
72.15514	4.5
79.05480	26.3
81.07044	44.8
81.40211	4.8
83.04962	8.1
83.08594	6.9
85.06532	26.7
91.05470	43.8
93.07041	53.8
95.04941	14.5
95.08596	53.2
97.06524	6.0
105.06370	8.0
105.07022	100.0
107.04931	6.7
107.08585	53.5
109.06445	5.0
109.10129	14.6
111.08086	5.4
115.05437	6.3
117.07019	30.9
119.08569	61.6
121.06482	7.1
121.10126	34.3
123.07997	5.7
123.11683	4.4
128.06203	17.4
129.06995	20.1
131.08556	56.1
133.10106	42.4
135.04308	5.9
135.11650	14.8
137.09566	5.2
141.06966	13.7
142.07782	19.8
143.08562	47.9
144.09296	9.5
145.06419	5.1
145.10129	35.0
145.24776	4.2
147.07980	4.7
147.11647	16.8
149.05920	6.8
149.09605	7.1
149.13217	4.7
150.05505	4.5
153.06995	6.6
154.07755	4.9
155.08540	30.7
156.09320	12.5
157.10115	61.1
159.08086	8.5
159.11674	72.4
161.09630	8.6
161.13237	19.5
165.06978	7.3
166.07846	4.9
167.08617	10.3
168.09282	11.7
169.10118	35.7
171.08037	5.9
171.11717	23.4
173.09653	12.1
173.13286	15.5
175.11150	16.2
177.12721	6.1
179.08528	14.6
180.09331	7.5
181.10141	24.2
182.10858	5.7
183.11671	40.3
185.09549	5.9
185.13234	15.6
187.07535	5.2
187.11200	32.7
187.14822	7.7
189.09158	6.3
189.12761	6.9
193.10141	20.6
194.10959	6.5
195.11629	31.6
196.12508	6.8
197.13193	22.4
199.14807	14.2
201.12727	11.9
205.10243	9.0
205.12271	12.1
206.10965	6.7
207.11755	28.2
207.13400	5.0
208.12433	6.0
209.13200	41.4
211.11151	6.8
211.14815	24.5
219.11700	11.4
221.13225	31.8
223.14828	20.6
225.12799	4.1
225.16394	8.6
227.14201	7.2
229.12227	25.0
233.13263	13.4
235.14769	14.9
237.12791	5.9
237.16307	11.9
239.14252	5.0
239.18134	7.5
248.15382	6.3
249.16394	16.0
251.17958	16.1
253.15941	5.4
253.19189	5.2
255.13881	6.1
261.16388	21.1
263.17838	11.7
267.17569	6.0
277.19443	15.3
279.17383	9.9
293.22519	9.6
295.16931	7.4
295.20792	5.0
306.46350	4.7
307.16736	5.0
307.24280	6.5
317.22543	22.3
319.24234	13.6
335.23602	44.0
337.25220	8.5
339.23004	6.8
353.24551	12.5
363.23315	25.1
381.24124	19.1
399.25491	5.9
441.19427	9.6
441.26407	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	441.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36593	3.5
55.05503	21.0
57.04435	3.3
57.08518	3.3
65.03938	3.6
67.05499	20.8
69.07056	35.3
70.94910	11.9
71.04972	4.1
79.05477	26.2
81.07057	34.7
83.04978	28.8
83.08614	11.4
85.06537	12.0
91.05473	41.7
93.07042	61.4
95.04971	7.5
95.08591	37.1
97.06543	4.4
99.49858	3.6
103.05431	4.5
105.06371	6.6
105.07029	100.0
107.08578	52.9
109.06496	10.2
109.10132	20.3
111.08127	4.8
115.05418	5.2
117.07003	28.9
119.08582	49.3
121.06495	7.8
121.10144	28.1
123.08089	4.9
123.11700	7.1
128.06233	8.7
129.06976	18.8
130.07809	3.9
131.08575	44.1
133.10124	34.6
135.08104	4.8
135.11693	21.7
141.06970	7.1
142.07751	20.2
143.08553	26.1
144.09319	10.1
145.10120	38.3
147.07991	4.9
147.11694	28.8
149.05978	11.9
149.13234	7.3
153.06996	4.8
155.08583	29.0
156.09311	12.0
157.10135	44.0
159.08063	9.2
159.11685	77.7
161.09550	6.3
161.13225	29.5
163.07497	6.0
165.06989	7.2
167.08562	11.9
168.09294	7.5
169.10121	21.3
170.10876	3.6
171.11676	19.5
173.09642	12.2
173.13292	12.7
175.11252	18.8
177.12770	13.5
179.08578	12.5
181.10153	21.1
182.10854	9.9
183.08037	4.8
183.11671	20.5
185.09682	7.2
185.13257	9.9
187.11134	17.5
187.14856	8.7
189.12766	8.7
192.09314	6.4
193.10152	9.4
193.12488	4.3
194.10904	6.5
195.11700	25.1
196.12471	5.4
197.13286	24.3
199.11142	6.2
199.14883	11.7
201.12851	6.3
203.10712	8.3
205.10332	7.9
205.12210	45.6
207.11661	17.7
208.12469	5.8
209.13179	28.2
211.14780	23.4
213.12679	7.0
213.16451	5.0
215.14276	5.8
219.11685	13.8
220.12404	4.7
221.13330	19.7
223.14827	14.6
225.12788	7.0
225.16402	7.8
227.14246	9.7
229.15970	10.9
231.11797	5.2
233.13225	7.6
234.14056	10.4
235.14844	10.8
237.16389	14.0
239.14157	4.2
241.12265	4.5
246.13940	4.8
246.45129	4.0
247.14859	7.6
248.15657	5.0
249.16446	15.5
251.17961	16.5
253.19412	4.6
255.13667	4.2
261.12793	3.8
261.16406	13.0
262.17172	7.3
263.17984	12.3
265.19427	7.4
267.17331	8.2
269.19070	7.6
277.19507	18.6
279.17499	15.7
279.21008	9.4
281.19012	5.1
293.22589	5.8
295.20160	4.2
307.24115	5.4
317.22668	14.4
319.24133	13.5
335.23694	52.4
337.25146	10.3
353.24814	22.9
363.23318	24.0
381.24091	24.2
399.25266	6.7
441.26282	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	441.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.05511	18.1
65.03934	3.7
67.05505	22.3
69.07070	35.5
70.82398	6.0
70.82748	8.2
71.04980	4.0
77.01824	3.0
79.05488	21.7
81.07058	36.1
83.04981	21.4
83.08624	8.3
84.23104	3.2
85.06540	10.7
91.05480	38.4
93.07039	53.9
95.04993	5.2
95.08607	34.7
97.06503	4.6
105.07026	100.0
107.08597	45.6
108.73372	3.7
109.06522	8.9
109.10151	25.3
115.05442	4.5
116.06299	3.0
117.07006	26.9
119.07777	5.2
119.08580	59.2
121.06525	6.7
121.10123	29.4
123.08134	4.8
123.11719	6.6
128.06219	9.3
129.06984	13.7
130.07744	8.6
131.08551	41.7
133.06497	4.5
133.10130	35.6
135.08125	4.0
135.11670	19.6
137.09575	4.8
141.06952	7.9
142.07806	14.0
143.08575	33.9
144.09366	9.7
145.10132	41.7
147.11708	30.4
149.05936	16.2
149.13281	6.3
154.07808	5.2
155.08545	22.7
156.09373	8.9
157.10104	39.8
159.08136	6.5
159.11690	72.6
161.09660	5.0
161.13243	25.0
165.06972	6.8
166.07791	4.0
167.08574	12.8
168.09424	7.3
169.10115	24.6
171.08064	4.5
171.11679	20.8
173.09648	13.2
173.13252	19.4
175.11174	25.5
177.12741	12.6
179.08562	11.7
180.09351	6.4
181.10057	13.1
182.10861	7.6
183.11737	23.6
184.12398	4.2
185.13275	14.4
187.11151	18.3
187.14790	8.2
189.12814	11.4
191.08527	3.7
192.09302	6.1
193.10165	13.4
194.10950	7.6
195.11691	29.7
196.12428	6.2
197.13266	22.0
199.11017	4.2
199.14842	14.8
201.12675	5.5
203.10649	4.4
205.10220	4.3
205.12187	39.7
206.10915	6.2
207.11679	17.8
207.13559	5.0
208.12582	5.9
209.13293	27.9
211.11255	6.1
211.14861	25.8
213.12766	7.8
215.14293	4.6
219.11772	7.6
220.12466	4.5
221.13255	20.5
222.13893	4.3
223.14816	14.1
225.12816	4.6
225.16394	11.4
227.14272	8.2
229.12164	4.9
229.15923	5.5
232.12584	3.6
233.13306	6.3
235.14818	13.0
237.12590	5.7
237.16370	12.7
239.17955	6.7
246.14046	4.7
246.89236	3.6
247.14957	6.4
248.15683	4.1
249.16331	16.1
251.17953	16.7
253.15776	4.5
253.19438	6.2
261.16385	7.0
263.17905	15.0
265.15909	6.2
265.19543	4.7
267.17371	9.3
269.19012	9.7
275.17847	7.3
277.19495	13.5
279.17453	12.0
279.20853	7.8
281.18936	7.0
293.22552	5.6
295.17233	3.6
297.18561	7.3
307.16943	4.4
307.24210	8.2
313.17953	5.3
317.22598	13.0
319.24048	17.8
323.20016	5.3
335.23691	50.7
337.25302	12.1
339.23248	5.0
345.21872	4.2
353.24631	16.6
363.23209	20.2
381.24207	38.3
395.25601	4.1
399.25189	6.4
441.26303	10.4
442.25183	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.9
54.02820	2.7
54.16513	2.8
55.01873	4.5
55.05507	15.9
55.97742	2.4
57.07079	3.4
59.04995	2.7
59.53226	2.7
60.35201	2.7
61.00262	3.1
65.03926	3.6
67.05502	31.8
69.07072	30.8
69.51291	21.8
70.06576	4.4
71.05002	4.4
79.05488	41.3
81.07056	63.8
83.04967	5.6
83.08624	11.0
85.06541	12.6
91.05477	51.9
93.07045	55.9
95.04958	9.5
95.08608	48.0
97.06550	7.1
97.10146	3.4
98.21513	6.1
105.07032	100.0
107.04928	3.8
107.08594	48.8
109.06521	11.0
109.10124	15.9
115.05453	8.6
117.07018	64.8
119.08582	70.2
121.06561	3.6
121.10143	40.4
123.08094	3.5
123.11723	9.8
124.91019	3.8
125.09623	3.4
128.06219	13.3
129.06985	23.4
130.07794	4.5
131.08566	51.7
133.06490	6.0
133.10144	49.9
135.04478	5.3
135.08044	5.0
135.11668	22.5
141.07025	13.6
142.07787	20.5
143.08563	30.2
144.09335	11.1
145.06483	8.8
145.10124	37.7
147.08047	3.6
147.11722	21.3
149.05992	9.0
149.13269	7.0
153.06950	4.5
155.08557	35.6
156.09334	9.8
157.10127	55.5
157.11333	5.2
159.08022	5.7
159.11682	87.9
161.06021	4.9
161.09685	6.2
161.13249	28.8
163.07520	5.2
165.07043	5.7
165.09186	3.8
167.08603	12.1
168.09349	8.1
169.10132	28.4
171.08066	2.9
171.11678	27.4
173.09685	6.0
173.13301	13.8
175.11111	22.5
175.14777	2.9
177.09138	3.0
177.12744	19.6
178.07788	4.0
179.08554	9.3
180.09296	5.4
181.10141	18.7
182.10841	3.5
183.11690	26.9
184.07402	11.2
185.09624	6.7
185.13327	15.2
187.07552	5.4
187.11186	20.0
187.14851	6.7
189.09167	4.2
189.12767	6.4
191.10663	3.1
192.09338	9.4
193.08591	3.2
193.10155	13.4
194.10936	5.9
195.11697	20.6
196.12479	4.5
197.09656	3.5
197.13281	21.5
199.07491	4.0
199.11287	3.7
199.14844	9.1
201.12807	9.0
203.10728	12.0
205.10193	8.5
205.12209	44.7
205.13992	4.8
206.10909	5.2
207.11664	16.8
208.12448	5.3
209.13260	25.5
211.11311	4.3
211.14772	14.1
213.08940	4.0
215.10597	3.8
215.14238	3.5
217.12257	5.6
219.11745	6.7
220.12538	5.1
221.13271	14.6
223.11227	5.9
223.14940	15.4
225.12781	3.3
225.16370	7.5
227.14417	7.1
229.12221	18.3
232.12479	3.6
233.13242	9.0
235.14801	16.0
237.16435	11.5
239.14272	4.8
241.12314	4.6
243.13855	3.9
247.14850	12.2
249.16377	8.0
251.18027	9.1
253.15918	4.8
255.14005	3.2
257.15540	4.0
261.16373	10.7
263.17929	7.4
267.17477	4.4
275.17828	6.9
277.19531	20.1
279.17441	8.9
289.19492	3.1
293.19034	4.2
293.22388	4.6
295.16916	3.4
295.20389	4.8
297.18701	6.0
300.46439	3.2
307.24063	6.1
313.18039	3.9
317.19220	3.9
317.22510	18.2
318.23416	3.4
319.24240	12.2
323.20059	11.1
335.23636	56.4
337.25293	8.4
345.22226	3.8
353.24805	14.5
363.23001	32.1
381.24335	34.1
391.56696	3.8
395.25961	5.9
423.25421	5.4
441.20273	3.8
441.26437	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	18.7
64.77235	1.2
68.96565	1.4
70.53261	4.8
71.95236	1.2
84.96034	10.6
85.02905	2.0
91.77223	1.0
98.21550	1.2
98.97583	100.0
110.97567	29.5
112.99138	3.3
116.98619	41.4
116.99447	2.0
122.48882	1.0
124.99117	2.7
128.98604	27.7
131.00200	3.9
134.99644	11.6
135.04395	1.9
140.00186	2.3
140.98607	9.3
141.10796	1.3
143.00174	16.3
145.01736	1.1
146.99664	15.8
152.98595	5.0
155.00204	1.7
158.99655	40.7
161.01247	15.2
163.02702	1.7
163.03926	11.2
170.99661	25.3
173.01283	2.4
173.02888	1.4
177.00716	34.9
179.02275	1.4
182.99628	16.8
188.99022	1.6
189.00717	30.5
191.02281	1.8
194.99667	1.1
195.01744	3.3
201.00711	60.6
207.01787	5.9
212.02402	1.5
213.00693	4.4
219.01761	53.0
224.02274	1.4
231.01666	6.9
237.02850	26.2
243.01746	18.7
245.05061	1.4
249.02823	3.0
255.03867	4.4
261.02823	84.4
262.03204	1.6
270.07584	1.4
273.02856	8.0
279.03870	64.1
280.04214	1.3
291.03876	17.9
291.09164	2.5
293.05371	1.1
297.05008	1.8
302.05441	4.3
309.04849	3.0
321.04922	41.3
333.04944	4.9
351.06076	7.0
381.07077	2.6
399.08087	3.7
441.09097	16.2
441.15567	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01870	2.2
55.05506	13.2
57.03433	7.2
57.07061	0.9
59.04992	5.0
65.03929	3.2
67.05499	100.0
68.05822	0.9
69.03432	3.0
69.07066	6.3
70.95734	1.0
70.96063	1.0
71.04991	4.6
79.05489	13.6
81.03411	30.2
81.07049	26.7
83.04973	5.9
83.08608	15.2
85.02898	18.2
85.06546	2.7
86.03274	0.8
87.04469	0.8
91.05473	20.1
93.07040	9.6
95.04964	16.4
95.05551	1.1
95.08604	8.8
97.02896	1.4
97.06517	3.9
97.10185	1.8
99.04484	0.9
99.08089	1.2
105.07021	11.6
107.04958	3.4
107.08591	5.5
109.06544	3.7
109.10146	66.1
109.92137	0.6
110.10517	1.4
111.04449	1.9
111.08076	8.3
113.06036	1.3
115.05479	0.9
117.07036	1.2
117.51729	0.6
119.08572	12.6
119.21098	0.7
121.06522	1.5
121.10140	5.5
123.08078	0.9
123.11736	1.2
125.09669	0.7
129.07014	5.0
131.08534	5.4
133.06496	1.0
133.10115	4.4
137.06026	0.6
137.09596	3.2
142.07796	1.5
145.10146	1.4
147.07948	1.3
147.11670	6.9
149.09642	2.8
155.10680	3.6
157.10114	6.8
163.11145	0.7
165.09108	0.7
165.12779	1.6
173.11732	18.4
175.11182	9.9
189.88223	0.6
193.12221	32.9
194.12669	1.2
211.13269	37.5
212.13724	0.9
215.06874	0.8
229.14366	0.9
267.15970	2.1
329.20990	0.9
421.25931	0.8
439.26874	50.1
440.27280	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	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.8
59.83695	1.0
65.16191	1.0
70.00932	5.9
73.13575	1.3
84.96017	8.4
85.98028	1.2
98.97575	100.0
102.90696	1.0
110.97562	27.5
112.99152	2.2
116.98615	41.1
124.99149	3.2
127.00701	1.5
128.98602	31.8
131.00133	2.2
131.01941	1.6
131.52000	2.4
132.01848	1.2
134.99666	11.4
137.51991	1.7
138.05525	2.1
140.98578	9.2
143.00153	15.5
143.01897	2.0
146.99638	14.3
149.52036	1.4
152.02449	1.2
152.98555	5.6
155.02058	1.7
158.99651	41.8
161.01224	12.2
161.02934	1.7
170.99649	30.0
173.01289	2.4
173.02962	2.6
173.52998	2.5
174.02888	1.7
177.00708	39.2
179.02286	3.0
180.02937	1.4
182.99667	17.4
185.02898	1.4
187.51904	1.3
189.00722	34.8
189.79553	1.4
191.02217	1.5
195.01761	3.7
200.02362	2.3
201.00703	67.9
203.04086	1.5
203.54202	2.5
204.04099	2.2
207.01668	7.2
213.00728	4.3
219.01759	57.8
220.02283	1.3
224.02318	2.1
225.04561	1.7
231.01703	8.2
232.53641	2.0
233.03209	1.6
237.02841	22.2
242.03362	2.4
243.01747	23.3
249.02728	1.9
255.03854	1.7
261.02811	97.0
262.03082	1.7
273.02811	7.4
279.03864	67.7
280.04407	2.1
291.03806	20.1
291.09216	2.7
297.04932	3.2
302.05533	4.8
309.04938	2.7
314.05203	1.5
321.04922	45.5
333.04932	5.4
351.05981	6.8
351.09619	1.3
381.07016	3.9
399.08136	4.6
441.09119	18.5
441.16223	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	438.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07003	0.9
50.48616	0.9
53.03931	1.9
55.01860	2.4
55.05518	2.2
57.03415	1.7
59.04984	2.1
61.02913	2.3
67.05486	2.6
68.05042	1.1
69.03424	7.1
69.07079	6.0
69.85573	1.9
69.85970	3.4
71.04974	1.4
71.08632	44.0
73.02914	2.0
81.03421	7.7
81.07044	2.3
83.08612	1.0
85.02905	14.8
87.00829	7.4
91.05474	1.5
95.08605	2.1
97.02885	8.0
97.06508	1.6
99.04442	2.6
99.08093	100.0
100.08406	1.8
105.01867	6.3
105.07015	1.4
107.08566	2.4
109.02863	6.0
109.10165	1.3
111.04475	1.3
114.05481	2.8
119.08627	1.8
127.03924	10.7
129.12746	11.7
145.04941	4.2
155.14278	2.0
157.10088	1.9
158.10440	1.3
159.02866	3.2
160.06027	1.5
173.15382	57.7
174.15695	1.4
183.11749	1.2
193.08516	1.3
193.12134	0.9
230.12738	1.1
231.05067	1.3
438.20605	1.5
439.22522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
65.03909	0.3
65.14159	0.3
69.03419	0.4
69.07040	0.3
70.06586	1.0
70.67016	0.3
71.63119	0.5
72.08115	0.4
74.06067	0.3
79.05510	0.4
83.01099	1.2
84.01859	0.5
86.09697	1.3
89.31342	0.3
92.97516	0.3
95.01089	1.9
95.04925	0.4
96.01858	1.0
97.02907	0.6
103.05449	0.6
105.16185	0.3
108.23849	0.3
110.07170	3.6
111.74153	0.3
112.01383	0.5
113.02134	2.1
115.52721	0.4
120.08120	0.5
121.02858	2.1
121.76523	0.3
126.02922	0.4
131.04951	1.7
141.01678	0.3
142.20953	0.4
161.37596	0.4
167.03169	0.5
177.40123	0.4
178.13408	0.5
185.04210	3.8
191.06812	0.4
201.03683	1.1
202.06035	3.3
203.05243	0.7
206.04292	1.0
223.15565	1.0
224.05376	1.5
242.06317	0.6
243.08569	0.5
250.06860	1.1
251.15085	1.6
257.04428	0.5
259.08029	0.8
277.10477	0.4
285.07455	0.5
309.82611	0.4
332.07413	1.4
347.09802	0.5
396.09515	0.5
421.08771	0.5
439.10638	4.1
439.15747	100.0
440.16193	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01862	6.4
55.05505	4.1
57.03443	9.9
65.03935	13.6
67.05495	5.6
68.99780	4.3
69.03418	7.4
69.07065	4.2
70.22272	10.1
71.04966	2.0
78.21747	1.9
79.05495	11.9
81.03394	7.1
81.07040	6.6
83.04959	6.2
84.08113	3.0
85.02882	8.9
91.05475	16.5
93.03382	7.6
93.07063	13.4
94.04178	3.3
95.04973	20.8
95.08632	2.6
97.02872	6.2
97.06524	6.0
99.04424	3.1
103.05476	9.8
105.07020	12.5
106.04153	2.6
107.04952	46.8
107.08590	4.0
109.02878	7.0
109.06524	5.0
110.03648	3.0
111.04445	29.7
115.05457	3.8
117.06985	2.8
119.08598	2.5
120.05689	3.4
121.02853	3.2
121.06496	24.2
121.10098	3.1
122.03644	3.5
123.04449	16.7
124.05202	2.4
125.05981	4.3
127.03918	4.9
131.04903	6.7
131.08554	3.1
133.02902	3.8
133.06488	2.6
133.10109	4.5
134.03630	2.3
135.04384	4.5
135.08058	13.7
137.02364	2.3
137.06001	10.3
139.03903	54.8
141.05345	2.7
142.02621	3.3
145.06264	2.3
145.10081	4.2
146.04503	2.4
147.04384	4.0
148.05162	13.1
149.05972	19.4
151.03914	3.9
152.04768	2.7
153.05443	6.4
154.02596	10.3
154.06206	5.0
157.04948	3.3
159.05537	2.7
163.03918	2.0
163.07568	21.2
164.06993	2.5
165.05486	28.0
166.06136	2.2
167.03369	3.5
167.07030	63.7
168.07719	3.2
169.04970	16.5
170.05772	11.1
171.06516	60.1
177.04259	2.3
177.05502	24.8
180.07719	2.6
181.08583	5.5
182.05650	10.2
183.06467	9.2
191.14331	9.3
193.08612	7.3
194.05765	14.6
195.06535	60.4
195.10168	19.3
197.08105	22.6
209.08086	100.0
211.07831	2.7
211.09601	11.5
213.11206	20.3
217.04999	3.7
227.09134	33.6
250.26146	2.2
257.01825	2.3
257.04404	8.1
285.07565	3.1
286.08380	3.2
321.71762	2.4
392.42010	2.2
439.14722	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	437.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01884	0.6
55.05507	0.7
62.08801	0.6
66.74921	0.6
67.05492	1.1
69.03410	1.4
71.01254	1.6
71.04985	1.3
73.02909	1.5
77.03928	0.9
79.05480	1.7
80.24809	0.7
81.03416	1.3
81.07056	2.2
85.02902	1.9
86.09689	1.4
87.00821	0.7
91.05479	3.7
93.07035	2.7
94.06549	0.9
95.04947	1.7
95.08613	2.1
97.02890	1.2
97.06516	1.2
98.03284	0.7
105.01880	0.8
107.08581	1.6
108.08151	1.8
118.81781	0.6
121.10130	0.6
122.06033	3.1
123.86124	0.7
124.07574	10.2
126.05526	1.2
127.03941	1.6
133.10112	0.8
135.09425	0.6
135.11684	1.8
136.06305	3.1
136.07564	100.0
136.12038	1.3
137.07944	1.7
140.07045	1.0
147.47424	0.6
152.07069	21.9
153.01891	0.6
153.10718	0.6
153.12732	1.2
154.13048	0.7
161.05872	0.6
164.07054	83.5
165.07367	1.5
166.08658	0.7
169.04985	0.9
170.08153	0.7
171.13748	1.4
172.14133	1.2
182.08131	1.4
204.53786	0.7
211.09648	0.9
266.10187	15.4
278.10190	17.3
287.13855	11.1
296.11288	2.1
303.05060	2.6
304.05154	2.9
305.05582	7.8
305.14877	2.2
373.17422	0.9
401.17062	17.7
402.17380	1.0
419.17847	1.8
437.14005	1.5
437.19235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01865	0.7
55.05504	0.6
61.02645	0.3
61.02926	4.0
65.03924	0.4
67.05487	0.8
69.07063	0.5
69.76920	1.7
78.04704	2.0
79.05489	2.1
81.03401	0.4
81.07053	0.8
84.08131	0.3
85.06574	0.3
86.09647	0.3
91.05465	2.6
93.03412	0.7
93.07045	1.9
94.04251	0.3
95.04974	1.4
95.08596	0.6
97.02861	0.5
97.06522	1.2
98.21440	0.5
103.05445	1.6
105.03367	0.3
105.07043	0.5
106.04176	1.9
107.04971	1.7
107.08594	0.6
109.02890	0.5
109.06513	0.6
109.31425	0.3
111.08079	0.3
119.04923	0.5
119.08571	0.4
121.06493	3.6
122.03647	0.3
123.04427	4.8
124.05204	2.5
125.05973	0.5
127.03893	0.4
131.04898	0.4
131.08496	0.3
133.10046	0.3
134.03586	0.3
135.04454	0.5
137.05965	1.8
139.03839	0.7
139.07544	1.5
147.04376	0.4
149.05959	2.9
151.03876	1.2
151.07532	0.4
152.04642	1.7
153.05455	0.4
153.09039	0.4
154.06273	2.5
163.07529	0.7
165.05457	1.8
166.06236	1.1
167.07033	100.0
168.07359	2.7
177.05424	2.8
179.07022	1.4
181.04979	3.9
181.08578	9.4
182.09137	0.3
189.05377	0.3
189.09106	0.4
191.07042	0.5
193.08578	0.5
207.10031	0.4
209.08083	8.5
210.08868	4.0
221.09589	0.3
227.09134	11.9
228.09711	0.7
255.12256	1.0
437.16937	0.6
447.11557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54905	0.7
53.03928	1.1
55.01852	1.8
55.05494	1.7
55.74961	0.7
57.03413	1.0
66.04726	0.7
67.05482	3.2
68.99756	1.2
69.03422	1.2
69.07069	1.8
69.07423	0.6
70.92958	0.8
70.93279	1.9
72.74510	0.7
78.04697	1.0
79.05129	0.9
79.05492	10.0
81.03407	2.2
81.07034	2.9
85.02889	1.6
85.48313	0.7
91.05472	13.0
93.07040	3.6
95.04948	3.1
95.08588	2.2
97.02895	0.8
97.06506	2.4
103.05459	8.7
105.07024	29.8
107.04949	14.1
107.08564	2.0
108.05724	3.3
109.02868	5.7
109.06499	3.0
109.10143	2.0
111.00806	1.9
111.04431	1.7
111.67852	0.7
115.05438	3.0
117.07014	3.4
118.04148	8.0
119.04963	4.5
119.08581	1.8
120.05718	2.4
121.06505	6.0
121.10117	1.3
122.07253	2.2
123.04430	1.9
123.08055	3.0
124.05153	1.6
125.06001	1.9
126.03145	3.8
130.04065	1.0
131.04915	2.3
131.08594	1.0
132.05737	1.0
133.06493	20.9
133.10127	1.2
134.07358	1.3
135.04413	4.0
135.08054	12.2
136.05186	1.2
137.05966	11.0
137.09599	1.1
139.07571	0.9
141.05466	15.7
141.06616	1.2
141.06972	0.8
143.08543	0.8
145.06528	1.7
145.10115	1.1
146.03632	1.0
147.04417	1.8
147.08032	1.5
148.05185	1.2
149.05988	4.7
150.06755	13.6
151.03862	1.3
151.07550	7.9
152.04626	1.0
152.08328	3.8
153.05466	5.1
155.08578	1.1
157.10123	2.5
159.07938	0.8
159.11702	1.2
161.06026	3.9
161.13336	1.0
162.06712	1.4
163.07526	10.2
163.11118	0.9
164.08249	1.2
165.05479	14.9
165.09113	17.4
166.06255	8.9
167.07042	25.8
168.07820	9.7
169.04964	33.7
170.05597	1.0
175.07567	1.0
177.09152	2.6
178.06229	2.1
179.06998	2.7
179.10677	1.8
180.07774	1.6
181.08586	4.5
183.11731	1.0
193.08600	64.8
194.09012	2.0
195.10165	4.8
197.11662	0.9
205.08661	0.8
205.12169	1.0
207.10175	1.1
209.08009	1.2
209.11696	3.2
210.08792	4.2
211.09647	100.0
212.10352	10.2
213.11134	6.6
213.12921	1.5
219.10114	2.5
223.09666	1.0
223.13272	3.4
225.11256	2.0
229.12244	0.8
233.11598	0.9
239.12756	15.0
251.12819	1.2
254.11571	1.4
269.13843	3.0
273.03946	1.2
275.09366	0.8
279.10352	0.8
306.23584	0.8
450.64215	0.8
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
53.03941	1.4
55.05497	3.2
57.03428	0.8
59.05015	1.1
67.05499	1.1
69.03410	3.4
69.07060	2.3
71.04638	1.2
71.04990	13.3
73.06550	2.9
76.85434	0.8
79.05489	4.3
81.03400	2.4
81.07054	18.6
83.08619	0.9
85.02917	7.7
87.00834	3.9
88.94725	0.7
91.05479	2.8
93.07038	13.9
95.04958	1.6
95.08597	2.2
97.02872	3.0
97.06520	1.3
98.20709	1.8
99.04442	1.9
100.11249	2.7
103.05443	0.9
105.01862	5.3
105.02446	0.9
105.06995	0.9
106.04160	1.9
107.08607	9.2
109.02860	2.8
109.06529	0.8
109.10120	2.5
111.04391	1.0
121.06470	2.8
123.04425	1.0
125.06025	1.2
127.03903	4.6
135.11684	22.6
145.04967	1.6
149.05980	3.2
150.06371	2.4
153.12738	100.0
154.13066	1.8
165.05411	1.2
167.07072	1.0
177.05431	1.4
178.05746	1.1
181.04913	2.3
181.08559	1.9
182.05318	1.1
182.09070	1.1
182.15335	1.9
193.08582	0.9
209.08096	3.1
210.08461	2.8
210.14937	1.9
211.15265	1.2
213.29652	0.7
231.04898	1.5
258.13266	1.8
291.51376	0.8
389.68195	0.9
417.63583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44609	1.6
55.01849	1.8
57.03417	5.9
67.05520	1.6
67.30613	1.5
69.03413	2.1
69.59521	13.6
70.06578	5.3
71.04962	1.9
72.08145	4.9
75.04490	2.7
79.05496	2.7
81.07066	2.1
84.08115	2.0
85.02914	8.5
91.05450	2.3
95.04938	2.4
97.02863	2.9
98.21538	2.1
100.09705	1.5
105.07014	24.4
107.04935	3.1
109.02861	1.6
109.06481	2.1
120.08109	1.9
122.06030	1.9
123.04440	2.5
124.07571	2.8
129.08011	1.6
133.06483	50.6
135.04393	2.4
137.05963	100.0
138.06284	2.4
147.04398	2.2
163.03839	3.2
163.07521	4.7
165.09109	30.9
167.07152	2.0
174.65816	1.5
175.07550	4.3
177.09036	2.3
181.08536	1.9
183.10188	24.2
203.10626	2.1
209.11815	2.1
221.11671	4.5
239.12697	4.6
257.13815	50.1
275.13956	2.8
275.71762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54674	0.7
55.05499	1.5
59.04988	1.7
59.19650	0.8
67.05503	0.8
69.03411	1.8
69.07064	0.8
70.02374	4.5
71.04989	12.3
73.06535	3.9
73.92339	0.8
79.05477	3.9
81.03419	1.2
81.07048	15.4
83.00995	0.7
84.08121	0.8
85.02882	3.5
87.00803	1.9
91.05444	1.6
93.07034	9.8
95.04941	0.9
95.08598	2.2
97.02872	1.4
97.06512	2.3
105.01871	1.9
107.04948	1.8
107.08579	9.3
109.10179	1.4
113.38361	0.8
119.08556	1.4
122.43410	0.8
127.03905	1.9
135.11685	16.7
145.06487	1.7
153.12735	100.0
154.13081	1.8
159.02879	0.9
161.06020	1.4
167.07054	3.8
168.07346	2.2
172.07196	0.9
181.04948	6.4
182.05307	3.3
230.11810	1.1
233.08116	2.7
234.08383	2.3
256.12473	0.8
258.11227	5.4
388.14740	1.1
409.10648	0.8
418.15793	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.55347	7.2
55.05502	16.5
59.04987	8.3
65.03954	7.0
65.21649	7.3
67.05504	37.5
69.07067	50.9
75.72780	7.3
79.05479	23.6
79.29018	7.1
81.07059	100.0
91.05477	25.3
93.07024	32.4
95.04980	9.0
95.08598	61.7
98.21523	16.0
104.90427	8.1
105.07030	42.6
107.08607	39.4
109.06527	10.0
109.10150	57.0
117.07043	18.1
119.08556	31.8
121.10134	27.8
123.11674	17.1
131.08527	24.0
133.10132	14.0
135.11649	11.7
137.13156	9.0
143.08606	13.8
144.09334	10.2
145.10153	15.6
147.11665	15.3
157.10115	20.5
159.11740	38.3
161.13229	18.7
163.14755	9.1
169.10063	11.8
171.11743	16.3
183.11632	10.3
185.13324	8.8
197.13422	10.6
209.13319	10.2
211.14752	12.3
213.16156	8.6
257.19089	14.1
265.19632	8.0
270.52991	8.0
311.59482	7.5
328.90503	8.3
343.25757	11.1
368.47159	7.8
435.32654	94.6
437.59927	7.8
443.48138	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01860	4.1
55.05497	3.1
57.03453	3.5
58.06574	1.6
58.78642	1.8
62.93326	1.5
65.03922	3.1
67.05489	5.2
69.03412	7.1
69.07018	1.8
70.06578	5.5
71.64025	3.3
71.64378	2.1
71.87012	1.6
73.02908	9.7
78.04708	3.0
79.05484	15.3
81.03413	3.1
81.07042	6.8
83.04956	2.6
84.08128	5.4
85.02899	9.1
86.09704	2.8
87.04452	1.8
91.05473	23.0
93.03426	2.7
93.07037	18.0
95.04974	11.6
95.08599	2.3
97.02889	3.5
97.06537	5.1
99.04424	2.7
101.31153	1.6
103.05472	10.6
105.01885	3.2
105.03354	1.9
105.07013	12.2
106.04151	3.7
107.04945	31.5
107.08552	6.4
109.02831	2.6
109.06467	2.9
109.10181	3.1
111.04450	4.1
111.08054	4.3
113.06018	1.8
113.90729	1.6
115.05443	2.7
116.06223	1.8
117.07025	5.5
119.04926	7.7
119.08569	2.9
120.05708	2.9
120.08067	3.0
121.02892	2.5
121.06493	24.7
122.03625	2.2
123.04427	9.2
123.11686	2.5
124.05192	4.2
125.05969	3.1
127.03886	5.3
128.06209	7.4
129.07002	16.7
131.04906	9.4
131.08553	6.9
133.02859	3.0
133.06476	6.0
133.10164	2.1
135.04372	3.2
135.08032	4.7
135.11664	4.3
136.05194	2.9
137.02318	2.8
137.05972	17.3
138.06757	1.7
140.04593	2.0
141.06924	1.8
143.04909	2.6
144.13808	3.7
145.04945	2.3
145.06461	7.3
146.07303	3.2
147.04410	12.3
148.05157	3.4
149.05969	8.9
149.53691	1.7
150.06709	3.6
151.03888	6.3
151.07539	14.7
151.11209	2.5
152.04651	3.1
153.01826	4.2
153.05463	16.1
155.06989	2.0
157.06514	16.3
159.08078	5.1
160.05203	2.4
161.05978	30.8
161.09654	8.1
162.06668	3.6
163.03893	6.4
163.07544	13.6
165.01872	1.8
165.05478	4.8
165.06961	7.1
165.09013	8.0
166.06227	9.4
167.07039	100.0
167.08511	5.7
167.17261	1.6
168.07271	1.9
169.12228	5.7
171.08060	1.9
173.05972	2.3
174.06757	10.9
175.07561	9.7
177.05505	2.4
177.06924	2.3
177.09102	7.3
179.07018	5.0
179.08556	4.7
179.10559	2.4
180.07785	2.5
181.05112	14.3
181.06616	4.1
181.08578	76.3
182.07254	5.4
182.08830	3.3
183.08043	3.4
187.07541	5.8
189.07372	3.6
189.09093	65.7
190.09387	2.1
191.07031	4.5
191.08583	3.5
193.06512	2.6
193.08565	2.5
194.07182	3.5
195.08020	11.0
195.09853	2.6
196.08943	2.1
197.05995	2.5
197.09587	8.8
199.07539	4.4
201.05423	2.3
201.09001	2.2
205.06483	2.1
205.08517	2.4
207.08188	3.0
207.10146	14.5
208.05154	2.0
208.08745	2.9
209.06020	2.7
209.07961	3.5
210.06735	6.4
211.07422	5.0
212.08295	2.1
213.09061	2.5
219.08058	6.4
219.10101	2.3
221.05952	4.9
221.09473	2.4
222.06679	3.9
223.07570	8.8
223.10983	2.3
224.08252	3.7
225.09070	16.8
227.07004	7.0
229.04956	3.0
229.09558	1.8
229.13408	3.6
233.08116	6.2
234.06673	1.9
236.04686	3.6
236.08218	6.2
237.08990	6.7
238.06163	1.9
239.06996	4.2
239.10678	2.5
240.07771	6.2
241.08545	7.9
242.09447	3.7
247.07584	3.8
250.06136	2.5
251.07065	6.0
251.10655	5.1
252.07761	2.9
253.08571	14.5
254.09354	3.0
255.06537	6.4
255.10205	7.4
257.04291	2.0
257.08084	3.1
257.12518	13.3
259.09647	3.9
263.09241	2.0
265.08453	5.0
267.06357	2.0
267.10135	4.5
268.07315	4.1
268.10745	1.9
269.07974	7.8
270.08841	5.0
271.09686	2.0
273.11160	2.4
279.10126	7.3
281.07916	3.9
283.09644	13.5
283.13235	10.3
284.10361	3.1
285.07828	2.4
285.11127	29.6
286.11646	2.0
295.09766	3.0
296.10272	2.6
297.11166	4.8
299.09473	3.2
299.12582	3.4
300.09961	1.9
302.11514	6.3
303.04962	75.4
304.05313	6.7
311.12747	9.0
315.12262	18.2
316.13089	4.7
317.13834	16.6
329.13824	6.3
331.11713	2.1
331.15402	4.2
343.15347	12.7
346.14166	13.4
359.14789	9.6
360.15649	61.6
361.16431	47.7
361.20880	2.3
362.17010	1.8
403.17355	2.8
417.15790	5.9
422.41769	1.8
435.10477	2.8
435.16241	39.6
435.21753	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
53.03934	2.0
55.01876	1.1
65.03934	7.9
67.05497	3.7
68.21064	0.9
69.03425	3.4
70.01754	4.1
78.04676	0.8
79.05486	7.9
81.03410	4.3
81.07036	1.4
82.04188	3.2
85.02914	4.7
91.05461	3.1
93.03412	2.1
93.07043	0.8
95.04976	4.4
95.08598	1.0
97.02870	0.8
97.06520	2.9
98.21395	1.1
103.05452	1.1
105.07009	2.2
106.04124	1.1
107.04269	1.4
107.04946	17.6
108.02041	1.9
110.03655	5.0
110.55635	0.9
111.04393	1.7
115.05413	5.1
117.07015	4.1
119.08553	1.0
121.06519	1.1
122.03654	1.1
123.04400	3.9
124.05225	4.5
125.02505	0.8
125.05972	3.6
127.03905	4.3
128.06178	1.8
129.06984	3.2
131.04941	2.3
131.08549	2.4
133.06493	2.3
137.02267	1.0
137.05928	1.3
138.03110	2.6
141.06985	2.5
142.02608	2.3
142.04068	1.2
144.05673	3.5
145.06479	10.0
147.04370	0.9
147.08026	1.3
149.05986	1.2
151.03859	1.0
152.04651	1.9
153.05431	2.9
153.12633	0.9
155.04930	1.3
155.06047	1.9
155.45113	0.7
157.06483	1.7
159.08020	3.9
161.06001	4.9
167.07031	53.0
171.04269	0.9
171.06560	4.6
172.05185	12.0
173.05988	5.5
174.06691	1.0
175.07532	2.0
177.09146	0.8
181.04950	100.0
182.05310	1.4
183.06541	1.3
184.05177	0.9
185.05850	1.1
187.07501	10.8
189.05478	3.2
191.06975	1.6
191.10640	2.2
193.04997	0.9
195.06499	2.6
200.04665	4.5
201.05467	6.4
203.07047	0.9
205.08553	6.2
206.05688	3.4
207.08073	1.4
207.09941	1.1
213.05531	1.0
217.08531	2.1
218.05707	7.0
219.06532	1.8
219.10138	6.4
221.06058	1.3
221.08003	6.4
231.06450	1.3
233.08067	56.6
234.08472	1.5
235.07465	1.7
235.09666	2.3
245.08002	2.5
247.07565	1.6
251.09132	3.2
261.09161	1.0
263.06927	1.4
263.09183	11.6
264.07596	1.3
273.12399	0.9
281.07977	1.0
295.09622	1.2
307.09540	1.3
309.07205	0.9
323.09021	1.6
327.12357	0.9
331.08139	1.2
339.12061	2.0
355.11688	3.2
357.13300	0.9
367.11655	3.4
369.13321	0.9
371.14713	1.8
381.13190	3.1
387.14386	9.1
399.14349	4.9
417.15424	29.1
417.20142	1.8
418.15530	1.3
435.16364	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1646
Annotation	Inflatin D
Peak:m/z	Relative Intensity
53.03938	4.2
55.01867	5.0
55.05510	4.0
65.03929	7.8
67.05506	3.6
69.03410	2.2
69.83215	10.9
71.04962	1.9
75.04478	4.1
78.04715	6.3
79.05482	7.9
81.03413	3.1
81.07047	4.7
83.04976	2.8
83.08605	1.9
85.02914	8.5
89.03904	2.5
89.06033	2.5
91.05483	23.4
93.03403	20.9
93.07030	11.8
95.04956	10.0
97.06534	7.3
98.20734	2.9
99.04427	1.8
100.11254	9.2
103.05437	8.6
105.07028	3.6
106.04169	41.7
107.04947	5.6
107.08607	2.8
109.02864	2.2
109.06491	1.9
111.04422	4.1
112.73728	2.1
115.05399	2.8
117.03346	1.9
117.07048	2.3
119.08517	2.6
121.06502	47.9
123.04420	4.1
123.24545	1.7
125.06003	12.4
128.07104	2.0
131.04948	2.3
133.02812	2.9
133.06468	3.5
134.03648	5.5
137.05956	9.5
138.06723	3.5
139.07532	3.0
145.06424	2.8
148.05170	2.8
149.05977	63.7
151.07556	3.3
153.05452	5.6
153.09099	16.6
153.12753	5.9
155.07036	3.1
161.05959	3.1
163.03915	3.9
163.07390	1.8
165.05458	5.5
167.07034	19.2
171.06493	4.6
177.05466	39.8
180.07809	2.7
181.04973	42.5
181.08565	35.2
182.15385	4.8
187.07527	2.8
191.06970	3.9
193.05074	2.3
201.05504	2.0
203.03502	1.8
207.06508	3.4
208.07321	6.4
209.08073	100.0
210.08710	2.3
210.14973	4.5
221.90105	1.8
225.07607	4.8
226.08418	3.9
229.13361	7.9
233.08104	17.5
257.12854	26.0
263.09091	3.1
268.12759	1.6
268.21442	2.3
285.12387	7.9
352.39404	2.1
387.14224	2.1
417.15323	7.3
435.16241	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	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11038	0.7
53.03937	1.5
55.01849	1.2
55.92453	0.6
65.03941	8.2
67.05489	2.9
69.03433	3.4
70.59507	2.3
77.91741	0.8
78.04683	1.4
79.05492	7.9
81.03414	4.0
81.07037	1.8
82.04195	3.6
85.02898	4.1
91.05476	2.7
93.03379	2.5
93.07020	1.7
95.04963	4.1
97.06532	3.1
102.14314	0.7
103.05442	1.7
105.07021	1.6
105.75450	0.6
106.04149	0.7
107.03855	0.7
107.04952	18.6
107.08558	0.9
108.02087	1.5
109.06535	0.9
110.03648	3.4
111.04456	1.5
115.05457	3.9
116.06222	1.3
117.07017	4.7
121.06496	1.0
123.00832	0.8
123.04418	4.4
124.05237	3.5
125.05997	4.6
127.03938	5.3
128.06210	1.7
129.06987	2.7
131.04887	1.6
131.08559	3.4
133.06482	1.7
133.10130	0.7
135.04388	0.9
137.05954	1.0
138.03090	2.4
141.06972	2.0
142.02600	2.7
143.04958	1.0
144.05717	3.6
145.06485	9.4
147.04359	0.9
147.08034	1.8
149.05975	1.6
151.03999	1.0
152.04659	2.2
153.05452	2.7
153.12733	1.9
155.04906	1.4
155.06021	1.7
156.05611	1.3
157.06479	2.4
159.08067	3.9
160.05190	1.2
160.08780	1.0
161.05981	5.4
166.02637	0.8
167.07043	53.0
168.07344	1.0
171.06587	4.9
172.05200	12.0
173.05940	5.2
175.07553	2.5
177.05450	1.7
177.09082	1.4
181.04958	100.0
182.05316	2.1
183.06602	0.9
184.05219	0.8
185.06004	1.6
187.07547	8.0
189.05440	3.3
190.06258	1.4
191.07083	1.8
191.10648	1.9
193.08586	0.7
195.06483	2.4
200.04674	6.0
201.05423	7.4
202.06172	0.8
203.06981	1.7
204.07716	1.0
205.08606	5.7
206.05722	2.8
207.06534	1.3
207.10213	1.1
217.08568	1.6
218.05707	6.8
219.06416	1.2
219.10132	5.2
221.08061	6.6
233.08083	64.6
235.07529	1.3
235.09695	2.1
245.08131	2.6
247.07477	1.5
251.09126	3.3
263.06747	0.6
263.09152	13.1
265.08630	0.9
277.08591	1.2
280.07031	0.8
293.08157	1.0
295.09668	0.9
307.06253	0.9
307.09711	1.4
309.07581	1.4
321.07437	0.9
325.10593	1.1
327.12253	1.0
335.08972	1.3
339.12396	2.0
344.12460	0.9
355.11752	3.9
367.11694	3.2
368.13022	1.0
371.15186	1.7
381.13455	3.2
384.12000	1.4
387.14355	9.5
399.14450	6.0
417.15439	33.5
418.15787	1.2
435.16098	3.5
435.27472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.61779	1.1
53.03946	2.6
55.01858	2.0
55.05526	1.6
65.03941	8.3
67.05498	4.5
69.03426	4.1
69.07083	1.5
71.09174	2.2
71.09544	2.3
78.04713	2.4
79.05495	9.7
81.03404	3.6
81.07061	3.7
82.04179	1.9
83.96132	1.2
85.02887	6.2
87.06675	1.3
91.05493	7.9
93.03399	4.8
93.07050	2.6
95.04942	6.9
97.02872	1.2
97.06542	9.1
103.05476	4.9
105.03362	1.7
105.07025	3.4
106.04176	9.8
107.04954	18.0
107.05620	1.6
108.02098	1.5
109.06487	1.9
110.03650	3.7
111.04430	3.0
115.05447	4.7
117.03297	1.1
117.07016	5.8
119.04980	3.0
119.08591	1.4
121.06522	9.7
123.04449	3.0
123.80925	1.1
124.05225	4.7
125.06000	7.0
125.83918	1.2
127.03919	4.7
128.06233	2.1
129.07028	3.7
131.04919	2.8
131.08543	2.2
133.06502	3.1
134.03572	1.8
135.04436	1.5
137.05995	3.6
138.03094	2.9
139.07573	1.3
141.05444	4.1
141.07021	3.1
142.02634	2.0
144.05722	3.5
145.06488	9.8
149.05997	10.2
151.07500	1.4
152.04668	2.3
153.05470	4.0
153.09138	2.2
157.06509	3.6
157.10176	1.2
159.08076	3.9
161.05994	9.2
163.03914	4.2
163.07596	1.4
165.05493	4.1
166.02646	1.9
167.07037	49.9
169.04987	6.6
171.06567	6.9
172.05205	10.5
173.05949	4.7
175.07605	2.5
177.04016	1.2
177.05417	7.1
177.09059	1.4
178.06096	1.1
179.07074	2.2
181.04956	100.0
181.08397	5.4
182.05403	1.4
182.09419	1.2
183.06598	1.4
183.11624	1.6
185.06017	1.7
185.13199	1.2
187.07527	10.1
189.05495	2.9
190.06218	2.5
191.07014	5.6
191.10606	1.7
192.47125	1.1
195.06491	5.1
196.07265	1.3
200.04674	3.9
201.05424	5.8
203.07007	1.4
205.08527	6.0
205.10303	1.2
206.05769	1.8
207.06557	1.5
209.08076	19.9
210.08887	2.0
211.09518	1.6
215.07004	1.4
217.08644	2.6
218.05736	7.1
219.06393	2.1
219.10054	5.3
221.08102	5.2
228.88632	1.2
229.12291	1.9
233.08080	49.8
235.09570	2.2
237.11192	2.2
245.08122	2.9
247.07526	1.6
251.09192	3.9
263.06873	1.5
263.09232	10.7
267.09882	1.2
277.05017	1.2
279.10196	1.2
280.07303	1.5
289.53888	1.3
293.08017	1.3
307.09732	1.6
335.09253	1.9
346.58087	1.1
355.11884	4.4
357.09708	1.4
367.11832	3.0
372.12158	1.3
381.13489	2.7
387.14478	9.8
399.14355	5.2
417.15390	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	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
60.41329	0.6
60.79850	0.6
61.02917	1.5
65.20838	0.5
66.92576	0.6
69.03428	1.0
70.06587	1.0
70.30291	2.5
71.01357	0.7
72.93475	0.6
73.02507	0.7
73.02915	13.5
81.03441	0.7
85.02916	1.0
91.05477	1.0
93.03387	0.6
95.04941	0.7
107.04922	0.6
109.02857	0.7
111.00806	0.7
115.03900	0.8
121.02852	1.1
121.06524	0.9
137.02333	4.2
137.06030	0.6
144.13297	0.7
150.97781	0.5
153.01819	4.5
163.03947	0.9
165.01819	2.2
167.07057	3.5
181.05000	0.6
183.02986	1.0
201.05434	2.3
209.08150	0.9
229.04938	4.0
229.13391	1.2
247.06038	1.2
257.04459	2.3
257.12863	2.4
274.04663	0.8
285.03876	1.3
303.04984	100.0
304.05295	2.8
399.15567	0.9
417.15854	1.3
435.16290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
56.05024	0.5
56.51426	0.4
57.03432	0.8
59.12390	0.4
61.02919	1.5
61.78530	0.4
65.03934	0.5
67.05509	0.7
68.99786	1.0
69.03414	1.4
69.53904	2.3
69.54311	1.0
70.06592	2.0
73.02921	9.3
77.55782	0.4
81.03406	1.1
81.07063	0.8
83.04973	0.6
84.08156	0.8
85.02911	1.6
86.09709	0.9
88.55781	0.3
91.05454	0.4
94.12078	0.4
95.04953	0.9
97.02924	0.8
98.20678	0.4
105.07043	0.5
107.04963	1.3
107.08573	0.5
109.02865	1.5
111.00803	0.8
115.03938	0.8
116.98613	0.6
119.08641	0.5
120.08075	0.5
121.02872	1.6
123.04412	0.5
127.03940	1.3
131.05016	0.6
137.02310	3.8
137.05989	0.9
137.09586	0.6
144.27325	0.4
145.06474	0.5
149.02397	0.7
149.09645	0.6
153.01842	5.1
160.15118	0.5
161.05963	1.7
161.07172	0.9
163.03897	1.5
165.01845	2.3
167.07062	0.7
181.04988	0.6
183.02902	1.2
187.03999	0.5
191.03391	0.4
201.05449	2.3
207.10190	0.6
229.04930	6.1
232.32352	0.4
233.08282	0.4
247.06088	0.8
257.04456	3.0
273.12445	0.9
274.04779	1.1
285.03876	1.7
303.04996	100.0
304.05383	3.1
315.05075	1.9
345.05994	1.1
369.06039	1.1
399.07077	1.2
417.07797	0.5
435.08618	0.9
435.18185	1.5
435.27118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41329	0.6
60.79850	0.6
61.02917	1.5
65.20838	0.5
66.92576	0.6
69.03428	1.0
70.06587	1.0
70.30291	2.5
71.01357	0.7
72.93475	0.6
73.02507	0.7
73.02915	13.5
81.03441	0.7
85.02916	1.0
91.05477	1.0
93.03387	0.6
95.04941	0.7
107.04922	0.6
109.02857	0.7
111.00806	0.7
115.03900	0.8
121.02852	1.1
121.06524	0.9
137.02333	4.2
137.06030	0.6
144.13297	0.7
150.97781	0.5
153.01819	4.5
163.03947	0.9
165.01819	2.2
167.07057	3.5
181.05000	0.6
183.02986	1.0
201.05434	2.3
209.08150	0.9
229.04938	4.0
229.13391	1.2
247.06038	1.2
257.04459	2.3
257.12863	2.4
274.04663	0.8
285.03876	1.3
303.04984	100.0
304.05295	2.8
399.15567	0.9
417.15854	1.3
435.16290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01873	3.1
57.03431	10.5
58.06606	3.1
61.02905	2.1
67.05513	2.4
69.03422	12.6
70.06554	2.8
70.45618	5.4
70.46021	3.1
71.05010	2.2
71.57185	1.8
75.04491	5.5
77.08504	1.7
81.03446	4.4
81.07038	3.3
81.07777	2.2
85.02901	21.9
86.09689	3.7
86.55840	1.8
91.05466	9.7
93.07044	2.1
95.08617	2.7
97.02891	7.8
99.04434	2.9
103.05463	29.0
105.07039	3.2
107.08607	2.4
109.02901	2.7
109.06564	2.1
110.03713	4.2
119.04939	11.1
119.08625	2.2
121.06506	5.4
123.04440	11.0
124.05252	4.0
127.03910	10.2
128.06178	1.7
131.04929	100.0
133.10146	3.6
135.08084	3.2
136.05167	2.0
137.05971	18.5
138.06766	16.0
145.04994	2.1
145.06477	2.4
147.04356	2.6
148.05162	12.8
151.07562	11.1
153.05464	2.2
161.05971	3.9
163.07539	67.8
166.06248	23.3
166.07538	2.6
175.07581	3.3
179.06993	4.7
181.08601	27.6
219.10207	2.4
231.04993	8.6
237.11201	14.7
255.12285	52.7
256.12784	2.5
303.04919	2.9
395.65042	2.1
401.65854	2.1
416.25879	4.2
434.27036	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	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01864	0.3
57.03421	0.6
61.02931	0.9
64.35883	0.2
67.05497	0.2
68.99786	0.8
69.03423	0.6
70.06570	0.4
70.90466	0.1
71.01019	0.5
71.01364	0.3
72.08159	0.3
73.02911	8.8
73.48269	0.2
79.05477	0.4
81.03407	0.5
81.07054	0.2
81.93359	0.2
82.82456	0.2
85.02879	0.4
86.09695	0.4
91.05449	0.3
93.03397	0.2
95.04955	0.4
97.02892	0.4
107.04948	0.3
109.02886	0.6
111.00784	0.9
115.03912	0.8
120.08076	0.3
121.02853	1.1
123.04437	0.4
127.03924	0.3
131.04910	0.2
135.04413	0.3
137.02341	3.4
137.05902	0.2
145.06448	0.4
149.02328	0.7
153.01822	4.5
155.04913	0.4
157.06487	0.2
161.05984	0.4
163.03897	0.8
165.01810	2.3
166.02547	0.4
167.07011	0.6
173.05997	0.6
181.04948	0.6
182.05307	0.3
183.02866	0.6
183.04300	0.4
187.03912	0.4
195.02924	0.2
201.05455	2.1
205.04958	0.2
207.02917	0.2
213.05469	0.2
215.03375	0.2
219.02879	0.2
219.06477	0.3
221.08125	0.2
223.05928	0.3
227.35316	0.2
228.04106	0.3
229.04953	4.9
230.05225	0.2
239.03421	0.2
247.05983	0.9
257.04395	2.8
273.12253	0.2
274.04758	0.6
275.05524	0.2
285.04028	1.4
302.04053	0.2
303.04974	100.0
304.05292	3.6
315.04922	0.6
345.05920	0.4
369.05969	0.5
399.06689	0.8
405.14291	0.4
417.08154	0.2
435.09183	0.8
435.16470	0.4
435.22012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1807
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	1.0
57.03421	1.5
61.02927	2.3
61.14033	0.4
64.84677	0.4
69.03429	7.2
70.06591	1.1
70.97906	1.2
71.04987	0.8
73.02917	1.5
79.05480	0.5
81.03413	3.6
84.08147	0.7
85.02905	11.1
86.09695	0.7
87.00803	0.5
87.04475	1.2
91.03953	0.8
91.05470	1.6
95.04982	1.6
97.02903	4.8
99.04433	1.1
103.05495	0.7
105.07041	0.8
107.04948	92.4
108.05265	0.8
109.02871	1.6
115.05444	9.7
117.07015	1.6
119.04931	1.7
121.02879	0.7
121.06484	3.4
123.04421	10.8
127.03905	3.8
131.04939	2.2
133.06493	2.0
135.04417	1.3
135.06734	0.6
136.07581	0.8
137.05969	1.4
142.85191	0.5
143.04915	17.8
145.04919	1.1
145.06482	10.1
147.04395	1.0
148.05141	0.5
148.07625	0.6
149.05957	1.9
151.07513	0.6
153.05379	0.5
161.05966	14.9
161.07234	1.0
164.07066	8.4
166.07817	0.6
178.08643	1.0
181.06462	0.6
181.10112	0.6
185.08089	0.6
191.08615	1.3
194.07320	1.4
195.07974	0.5
209.06041	0.7
209.09596	4.2
218.97456	0.5
219.08061	0.9
222.06534	0.5
226.06281	1.1
231.04842	0.6
237.09015	4.1
238.51823	0.6
240.07840	1.3
244.78040	0.5
245.08719	0.5
255.10150	38.5
256.10516	0.6
272.12802	43.1
273.13177	0.6
282.31918	0.6
303.04993	2.0
317.00571	0.5
434.18097	100.0
435.18414	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	20.2
59.04997	4.2
60.04497	1.8
61.02913	4.9
69.03421	75.0
70.46241	4.4
70.81384	1.4
71.04988	2.5
71.83257	1.2
73.02922	3.8
79.05491	1.5
81.03411	5.1
85.02898	83.2
86.09714	1.3
87.03926	1.6
87.04462	52.4
97.02882	64.3
98.20850	2.0
99.04458	4.1
103.03964	2.2
105.07015	7.4
107.04981	2.2
109.02863	4.1
115.03919	100.0
123.04390	2.6
127.03901	21.8
133.04956	96.7
145.04947	32.0
145.06100	1.4
150.07600	14.9
159.71877	1.7
161.05865	1.5
162.06366	1.6
163.05995	32.3
167.06979	3.2
168.07436	2.0
169.05035	1.8
181.04933	13.7
182.05304	9.7
189.09186	2.2
193.08710	1.7
201.09129	2.8
221.08188	2.3
222.08398	5.3
222.32677	1.5
223.06062	2.3
241.07077	2.4
250.07915	2.4
252.93658	1.5
259.08109	4.3
267.91235	1.5
277.09210	2.6
285.13397	3.7
288.06073	2.2
295.10257	2.7
303.04990	5.0
404.14117	12.5
443.17209	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
54.06059	1.3
55.01868	13.2
57.03435	4.9
58.06595	9.5
61.02917	5.3
68.99786	4.7
69.03068	2.4
69.03426	32.2
70.05328	7.5
70.06592	4.8
70.68131	1.4
71.01357	1.9
71.04982	5.9
72.08153	1.9
72.63456	1.3
73.02914	6.2
79.05499	2.0
81.03417	23.6
84.08133	1.9
85.02902	100.0
86.03258	2.0
86.09704	2.3
87.00828	14.7
91.05478	8.0
94.34938	1.4
95.04954	1.7
97.02884	20.4
98.21451	1.8
99.04452	14.0
100.72215	1.2
105.01842	11.4
105.07043	2.1
107.04948	25.3
108.04485	1.6
109.02878	31.4
109.06534	1.6
115.05444	5.3
117.01871	1.6
119.04942	6.4
123.04427	3.6
127.03912	58.1
128.04214	2.5
129.01849	5.0
131.04886	1.7
133.06459	1.3
137.05977	5.0
143.04883	4.2
143.14941	1.4
145.04953	30.1
145.06448	3.0
147.02892	5.4
151.07538	29.8
153.05458	4.7
154.05910	1.9
159.02834	6.6
161.05992	6.2
163.04013	1.5
164.07095	2.6
165.09077	1.7
167.06990	2.1
171.02875	2.8
185.06340	1.3
185.08121	6.5
186.08415	4.8
189.04012	2.0
189.09152	2.4
193.08640	6.2
211.09569	2.1
213.03961	4.1
217.08690	2.8
231.05002	30.1
235.09578	7.2
249.06015	10.2
249.08078	1.2
255.10240	14.0
259.09613	4.7
272.12769	14.6
277.10648	15.7
303.04932	2.9
381.11627	2.4
434.18121	31.5
435.18143	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	434.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01875	14.2
57.03426	6.7
61.02917	6.5
61.03238	2.2
67.05488	2.0
68.99768	4.3
69.03421	26.6
70.06585	4.3
71.01355	1.8
71.04984	6.0
71.64387	2.4
73.02898	8.0
81.03410	25.3
83.01328	1.9
83.04919	2.1
84.04476	2.1
84.08132	3.4
85.02898	100.0
86.09695	3.4
87.00830	21.0
91.05481	12.4
95.04958	4.1
97.02896	18.8
99.04446	17.4
103.05457	2.1
105.01870	10.8
105.07019	2.6
107.04936	2.9
109.02875	28.1
110.06090	2.1
111.04470	2.7
119.04937	9.6
125.05984	3.3
127.03915	58.3
128.68800	1.6
129.01810	5.8
131.04944	2.1
132.97653	1.9
133.06514	2.9
136.05136	1.9
136.07603	2.1
137.05940	4.6
145.04958	27.4
147.02850	4.0
147.04424	2.9
151.07535	45.7
153.05453	7.4
154.05864	3.7
157.06514	2.8
159.02878	6.2
161.05922	3.6
162.02167	3.6
163.03912	6.3
163.07532	2.5
165.09052	3.6
167.07014	2.5
169.08585	4.6
175.07579	3.1
177.05432	2.4
179.07001	1.8
183.02850	2.0
185.08116	8.1
186.08415	6.4
189.03954	4.1
189.09084	3.8
193.08609	10.7
213.03964	5.8
216.07423	2.3
217.08543	4.9
231.04970	24.5
235.09674	7.8
249.06133	8.1
259.09631	13.6
266.08698	1.7
277.10718	18.6
303.04977	4.5
316.68900	1.8
363.57764	1.8
381.12109	2.9
410.45337	2.0
434.16721	3.1
435.18439	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	433.3102
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
52.86261	1.0
55.05507	10.2
57.07063	3.1
65.03920	1.0
67.05504	17.9
69.07067	19.3
69.44402	8.0
71.08668	1.0
74.02195	0.9
74.10695	0.9
75.75650	1.1
79.05495	10.1
79.07029	0.9
81.07054	41.1
83.08619	4.8
85.06535	1.8
91.05470	11.5
93.07043	16.7
95.04928	2.2
95.08604	27.7
97.06528	1.3
97.10152	2.0
105.07026	22.9
107.08585	20.5
109.06469	1.6
109.10149	47.3
111.11704	1.1
113.00002	1.1
117.07008	5.9
119.08578	18.9
121.06520	3.5
121.10139	13.6
123.08070	1.0
123.11700	12.0
128.06227	2.2
129.07001	5.0
131.08571	11.9
133.10123	12.6
135.08134	1.6
135.11685	8.5
137.13269	6.0
141.07030	3.2
142.07784	6.2
143.08562	12.1
144.09331	2.4
145.06450	1.3
145.10110	16.9
147.08006	1.2
147.11694	9.3
149.04718	1.1
149.05934	1.7
149.09657	2.0
149.13228	5.5
153.07076	1.3
155.08545	9.8
156.09293	3.0
157.10124	22.8
158.10878	4.3
159.08066	1.7
159.11684	26.0
161.09578	1.7
161.13258	6.8
163.11235	1.9
163.14832	3.0
165.07097	2.1
167.08591	3.8
168.09325	1.9
169.02588	1.6
169.10136	10.8
170.10913	1.6
171.08058	1.4
171.11699	8.4
173.09662	2.0
173.13280	7.1
175.11221	6.2
175.14828	2.7
177.12782	1.7
177.16457	1.8
179.08604	4.0
181.10112	8.0
182.10771	1.2
183.11682	12.0
185.09673	1.0
185.13300	6.1
187.07590	1.4
187.11229	2.4
187.14882	3.7
189.12720	1.7
189.16324	1.8
192.09346	1.5
193.10129	3.6
194.10898	2.4
195.11711	10.6
196.12465	2.2
197.13274	8.0
198.13986	1.3
199.11133	2.3
199.14842	4.0
201.09148	1.3
201.12703	2.9
201.16454	1.5
203.10565	1.9
203.17943	1.4
205.10211	1.6
206.10953	2.2
207.11723	6.2
207.50311	1.0
208.12543	1.7
209.13245	13.7
210.13899	1.3
211.11151	2.6
211.14816	5.6
213.12785	3.2
213.16380	2.3
215.17966	2.3
219.11716	3.2
221.13249	5.2
223.14827	8.7
225.16406	2.6
227.10555	2.2
227.14493	1.4
227.17961	3.2
229.12201	11.5
229.15907	1.2
229.19519	1.7
233.13341	3.0
234.13919	1.9
235.14851	5.8
237.12665	1.5
237.16382	6.2
239.17966	3.5
241.12239	2.7
241.19370	1.4
243.13855	1.6
244.97340	1.3
247.14819	2.9
249.16412	7.9
251.17931	5.5
253.15903	1.7
253.19569	1.8
255.13751	3.4
255.17487	2.4
257.15421	1.4
257.19025	5.7
261.16412	3.2
263.17966	7.2
264.18753	1.2
265.19421	5.3
267.17514	1.3
267.20825	1.1
269.15445	1.5
269.19073	2.3
271.17178	1.2
273.18521	2.2
275.17764	1.4
276.18637	1.1
277.19427	4.5
279.17581	1.1
279.21088	2.4
281.18939	1.3
289.19455	1.9
291.21036	3.2
295.17007	2.0
297.18488	2.8
303.17706	1.3
303.21140	2.9
305.19061	1.5
305.22577	3.6
307.20602	2.1
307.24075	1.8
309.18576	5.3
311.20084	2.7
317.22592	2.1
319.24277	1.7
323.20102	2.8
325.21548	1.6
333.25977	1.8
335.23865	1.4
337.21674	2.8
339.23450	1.2
349.21765	1.5
351.23242	2.9
359.23547	1.2
360.28098	1.1
363.22937	1.6
364.24115	1.8
365.24887	1.6
372.40308	1.2
375.26859	1.8
377.24777	3.6
387.30469	15.3
389.32159	6.3
405.31677	7.9
415.29883	8.5
433.31021	100.0
434.31589	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.0
55.68036	2.9
56.96776	3.1
57.87540	2.9
59.05000	63.1
67.05496	14.2
69.03429	4.6
69.07068	9.5
69.34807	24.7
69.35235	12.8
79.05485	14.3
81.07063	19.2
85.06544	100.0
86.61634	3.0
91.05485	38.1
93.07048	34.4
95.04993	6.3
95.08621	25.3
99.08089	6.3
101.06063	3.7
105.07028	45.3
107.08605	21.6
109.06531	8.8
109.10155	20.1
111.08088	12.0
115.05485	3.6
117.07018	17.1
119.08584	63.3
121.06492	3.9
121.10130	24.2
122.07301	4.6
123.08049	9.6
123.11679	4.0
125.09641	29.5
128.06236	7.7
129.07014	7.0
130.07767	3.5
131.08571	24.5
133.10127	25.4
135.08054	7.8
135.11707	8.7
136.68683	3.4
137.09622	19.6
141.07016	3.8
142.07793	13.2
143.08586	24.1
144.09338	4.6
145.10107	30.2
147.08025	7.5
147.11682	7.7
149.09604	9.3
151.11224	24.0
155.08580	10.3
156.09348	10.9
157.10115	27.9
158.10907	4.5
159.07959	3.4
159.11694	12.7
161.13269	4.2
163.11211	5.7
168.09412	8.9
169.10109	18.7
170.10966	7.8
171.11703	22.1
173.13280	3.9
175.11136	4.9
179.08583	6.3
180.09276	5.3
181.10115	7.5
183.11719	18.2
185.13213	10.6
187.14911	4.2
189.12798	5.0
193.10120	9.1
194.10776	3.6
195.11696	10.4
196.12408	6.3
197.13199	7.9
203.14221	5.9
207.11681	5.6
208.12436	4.1
209.13289	12.1
215.17953	3.6
220.12424	4.2
221.13278	7.1
223.14845	5.8
227.14264	3.9
235.14865	5.0
271.06015	6.5
311.29855	3.7
433.23871	13.5
433.30988	6.8
434.31155	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28815	1.9
52.15921	2.5
55.05514	27.1
59.05000	60.7
65.10371	2.1
67.05502	16.6
69.03411	4.3
69.07062	7.2
69.33756	20.6
69.34161	4.2
71.04985	3.0
79.05490	14.9
81.07061	16.9
83.04966	3.7
85.06543	100.0
91.05478	39.0
93.07037	30.2
95.04964	6.5
95.08602	21.5
97.06524	3.8
99.08077	3.5
101.79671	2.3
103.05466	3.8
105.07024	34.2
107.08594	21.2
109.06493	9.8
109.10146	12.0
111.08095	12.2
115.05426	4.0
115.74120	2.2
117.06998	14.9
119.08581	63.8
120.16845	2.1
121.06549	3.6
121.10118	22.6
122.07267	3.6
123.08057	10.7
123.11700	3.8
125.09619	26.1
128.06223	5.5
129.06976	8.4
130.07773	4.9
131.08562	22.9
133.10121	25.4
135.08029	6.1
135.11670	9.9
137.09618	24.3
141.06978	5.9
142.07774	15.8
143.08580	23.2
144.09314	4.7
145.10115	33.7
147.08055	6.0
147.11743	10.6
149.09593	10.3
151.11189	34.0
153.06999	3.0
155.08580	12.3
156.09319	9.9
157.10146	22.4
159.08070	2.5
159.11662	13.1
161.09653	3.1
161.13264	3.3
163.11188	9.4
165.06953	2.1
166.07794	3.1
167.08542	5.8
168.09329	6.3
169.10114	10.0
170.10886	5.0
171.11691	20.7
172.12407	2.6
173.09662	3.0
173.13235	8.9
175.11110	4.4
175.14861	3.2
177.12674	2.7
179.08521	6.0
180.09355	5.4
181.10109	8.8
182.10820	3.9
183.11710	15.6
185.13255	11.1
187.11139	3.0
187.14795	2.6
189.12695	5.8
191.14343	2.4
193.10117	5.8
194.10902	6.0
195.11765	10.6
196.12424	2.9
197.13246	8.8
199.14870	4.0
203.14352	7.1
206.10849	3.1
207.11655	7.1
208.12465	4.6
209.13219	15.5
211.14867	4.8
213.12708	3.6
215.14284	5.2
219.11755	3.0
221.13266	7.8
223.11150	2.3
223.14830	7.5
225.16426	3.0
233.13177	3.1
235.14832	3.2
237.16403	2.8
249.16344	5.2
261.16382	2.9
263.18030	5.0
265.67990	2.5
291.20959	3.0
323.98035	2.7
332.35013	2.3
354.25797	3.1
401.28543	4.0
433.30902	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	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47196	1.5
53.03937	4.8
55.01880	9.7
55.05262	2.2
55.05512	29.3
57.03436	8.9
63.17165	1.4
65.03933	2.9
67.05505	37.5
69.03439	2.5
69.07062	14.2
70.17407	8.6
78.87492	1.5
79.05064	3.2
79.05495	45.8
81.03400	8.0
81.07060	33.6
83.04977	7.0
83.08628	13.3
84.08144	4.0
85.02892	3.6
85.06572	2.7
86.78699	1.5
91.05482	38.4
93.07046	33.2
95.04961	32.3
95.08596	21.1
97.06527	11.9
97.10163	18.6
105.07042	26.8
107.04952	17.3
107.08578	21.6
109.06513	6.6
109.10152	9.1
115.05455	6.1
117.07011	16.1
119.04924	3.8
119.08583	16.6
121.06515	15.4
121.10126	15.7
123.04404	1.9
123.08046	5.1
123.11711	1.6
125.09646	16.9
128.06233	5.4
129.05502	4.0
129.07010	26.4
131.04939	12.4
131.08574	31.8
133.06511	10.4
133.10115	9.0
135.08038	9.4
135.11708	3.2
141.06976	10.4
141.92805	1.7
142.07806	3.0
143.08569	16.5
145.06490	20.7
145.10094	11.8
147.08017	8.4
147.11705	2.5
149.09621	22.5
149.13220	1.8
151.07513	2.9
153.09117	3.3
154.07858	1.8
155.08546	7.8
157.06497	3.9
157.10150	8.0
159.08017	9.8
159.11632	7.9
161.09666	4.7
161.13295	2.7
163.03883	3.1
163.11229	5.6
166.07768	1.6
167.07053	5.0
167.08568	4.1
169.10124	9.9
171.08102	4.4
171.10258	2.7
171.11664	17.4
173.02356	3.1
173.09604	8.4
177.12729	2.4
179.08603	2.4
181.04970	13.9
181.10100	4.1
183.08061	2.8
183.11722	5.3
185.09612	6.0
185.13292	4.6
187.11151	9.4
189.09180	3.6
189.11208	12.4
189.12793	11.2
190.93571	1.6
195.11711	4.5
197.09619	2.8
197.13271	2.5
199.11241	3.6
199.14754	1.7
201.12787	2.0
203.14340	2.1
205.12260	7.6
209.13405	1.7
211.11247	6.5
213.12823	3.2
215.07033	2.2
215.10738	1.8
215.14296	2.5
218.25194	1.7
223.13260	3.6
224.13200	2.1
225.12788	6.1
227.12738	5.4
229.12207	3.7
233.08513	1.7
243.13844	5.6
249.14957	3.4
257.15338	3.5
259.09723	8.0
261.14847	2.1
267.15973	5.7
273.14835	3.4
292.24030	1.7
295.20450	3.6
305.18973	2.3
313.21750	6.8
323.20096	25.5
341.21115	100.0
342.21716	4.5
359.22003	8.4
379.22607	2.2
397.23654	2.8
415.24808	37.4
433.25891	71.2
434.26514	2.2
446.01978	2.0
458.39816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2431
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.88791	5.0
51.33721	5.3
55.05504	7.6
57.03428	21.0
59.04996	5.1
65.03928	7.4
67.05501	21.7
69.03428	68.9
69.07058	6.9
69.74520	37.2
71.04963	7.7
75.64437	5.4
78.27438	4.6
78.89942	4.6
79.05492	18.7
80.48540	5.8
81.03428	7.5
81.07056	38.9
82.14267	4.9
83.04947	5.0
83.08613	10.2
85.02899	82.6
86.09692	12.4
87.04463	28.3
91.05475	15.5
93.07030	22.9
95.04945	22.7
95.08601	39.8
97.02874	38.7
97.06508	16.0
98.97612	8.6
99.04449	7.5
105.07011	53.1
107.04941	18.8
107.08571	33.6
109.02882	11.5
109.06534	13.3
109.10145	21.2
111.08064	8.8
115.03939	46.1
117.06998	13.9
119.08580	37.4
121.10134	18.3
123.08076	15.6
124.05262	6.2
125.06007	7.7
127.03909	14.7
131.08568	12.4
133.04950	49.3
133.06454	9.0
133.10123	36.1
135.08012	5.9
135.11699	13.0
137.06018	7.1
143.08566	13.7
145.04958	19.4
145.06477	5.5
145.10161	13.3
147.11708	22.4
149.13258	20.9
151.07510	22.6
157.10132	13.1
159.11678	67.7
161.05962	17.2
161.09619	11.0
161.13277	28.9
167.07048	25.9
168.07404	5.8
169.13319	5.7
171.11642	5.4
173.13248	8.0
175.11075	6.5
175.14748	7.0
177.12733	16.9
179.14316	19.6
181.04964	72.5
189.16385	85.8
193.08600	7.3
199.14902	20.3
207.17470	23.7
217.15871	69.2
221.08089	20.3
231.10095	7.2
233.08040	6.5
233.11707	5.9
235.16922	100.0
235.57486	5.6
237.02844	5.6
249.07526	10.0
253.17908	32.4
260.25027	6.2
271.19073	19.0
314.10217	5.6
322.47693	5.5
337.94727	5.2
394.76443	5.5
403.13940	24.6
415.14142	6.6
432.65356	9.1
433.14990	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2432
Annotation	Dictamnoside A
Peak:m/z	Relative Intensity
50.56453	5.0
52.68399	5.8
53.56797	5.1
55.01859	8.0
55.05516	7.9
55.12130	5.6
57.03432	8.4
59.96269	5.9
61.02906	5.9
67.05481	12.7
69.03403	14.0
69.07055	8.3
70.86652	12.4
70.86995	10.9
71.04983	8.7
72.08166	10.0
79.05482	22.0
81.03403	6.5
81.07063	33.3
81.82261	5.4
85.02904	27.0
91.05463	21.3
92.35365	5.6
93.07024	22.6
95.04961	12.2
95.08607	32.9
97.02857	8.8
97.06518	17.4
105.07037	46.2
107.08585	21.9
109.10147	16.5
117.06960	7.3
119.08577	31.4
121.10133	13.2
131.08553	20.5
133.06622	5.4
133.10100	17.7
135.08008	16.2
137.05934	6.3
143.08522	17.6
145.10133	9.2
147.08060	11.5
147.11679	6.6
155.08580	8.1
157.10094	16.8
159.11707	18.7
161.13242	42.6
163.14780	5.8
166.90822	6.6
169.10219	7.7
171.11769	9.0
183.11824	7.8
185.13272	9.0
187.14923	7.4
189.16425	12.2
197.13181	11.8
199.14806	33.4
203.14255	8.0
215.14401	6.6
217.15976	27.6
235.16942	100.0
241.15990	10.3
250.40665	7.5
253.18004	95.4
255.11299	16.8
259.16876	12.2
271.19107	15.1
277.17029	5.6
283.10828	6.2
287.05515	6.7
343.19095	9.7
361.19998	23.1
379.20862	19.8
397.27640	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	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
57.03446	5.4
58.47378	3.2
65.03947	4.2
67.05508	24.0
69.03419	16.0
69.07053	8.4
69.82115	23.9
70.06583	5.4
71.05001	18.3
72.08131	8.6
79.05496	19.1
81.03420	7.6
81.07048	35.9
83.05005	4.0
83.08595	4.8
85.02892	31.9
86.09714	6.8
91.03963	3.6
91.05479	21.6
93.07053	19.0
95.04945	10.0
95.08614	28.8
97.02901	11.2
97.06536	18.9
97.10159	10.6
105.07033	40.7
107.04954	7.5
107.08578	20.0
109.02976	4.1
109.06499	7.4
109.10148	15.0
111.04436	10.1
111.08051	4.6
117.07011	11.7
119.08575	25.2
121.06527	7.0
121.10128	10.2
123.08067	8.4
125.47298	3.6
127.03907	5.4
128.06259	6.7
129.05479	7.8
129.06981	10.0
130.18480	3.2
131.08572	15.1
133.10115	13.8
135.08051	17.3
135.11732	7.8
137.09586	3.5
139.07558	4.7
141.06953	5.2
143.08580	19.1
145.06438	5.3
145.10110	18.0
147.08032	6.5
147.11678	6.4
149.13300	5.6
153.05490	3.6
155.08553	7.3
157.10098	23.5
159.08038	5.5
159.11700	27.5
159.20659	3.3
160.05199	6.4
161.05951	23.5
161.09653	4.5
161.13252	37.6
163.14833	5.3
167.08612	7.3
169.10075	6.5
171.11652	7.9
173.13237	7.7
175.14920	6.3
181.10094	3.7
183.11693	5.1
185.13268	8.8
187.14848	9.0
189.09061	18.7
189.16371	10.5
195.08060	4.0
197.13280	5.1
199.14818	27.7
201.12630	4.3
202.04659	4.0
203.14308	6.0
213.16342	7.0
215.07047	12.6
215.14383	7.9
217.08727	7.9
217.15871	31.7
229.15727	4.7
235.16905	100.0
236.17267	5.4
241.08691	7.0
241.15868	10.0
253.18013	84.7
254.18523	3.7
255.11342	12.5
259.09689	12.8
259.16977	9.9
270.14612	3.7
271.19046	13.3
287.05530	52.1
288.05914	6.1
301.18237	3.8
305.03973	3.6
313.17633	3.1
343.19263	4.4
361.19955	20.8
379.21173	14.1
433.15402	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.05498	18.4
57.03429	10.7
58.06568	9.3
61.02884	6.8
64.55607	7.1
65.03917	7.8
66.26411	6.0
67.05506	39.1
69.03432	13.9
69.07053	30.2
69.79895	44.4
70.06586	16.8
71.04984	9.9
79.05482	31.7
81.03399	13.5
81.07050	61.3
83.04984	16.0
84.08127	28.3
85.02917	40.4
86.09698	26.0
91.05465	47.3
91.29783	6.2
92.58019	7.2
93.07050	49.9
95.04958	30.6
95.08603	54.6
97.02893	15.9
97.06530	41.6
98.21477	11.8
105.07022	80.0
107.04944	20.7
107.08580	49.7
109.06487	11.5
109.10142	26.0
111.04416	14.0
117.07009	25.9
119.08574	79.0
121.06486	9.6
121.10125	21.2
123.04446	7.9
123.11720	13.4
125.05927	9.6
127.03894	12.3
128.06204	10.4
129.07014	18.6
131.04907	8.5
131.08575	44.2
132.08047	8.8
133.10153	44.2
135.04332	7.7
135.11673	7.2
137.05954	19.2
139.03885	8.0
141.07002	8.5
142.07819	9.6
143.08565	26.2
143.19650	6.7
144.09261	11.0
145.10124	19.8
147.08054	6.7
147.11668	30.9
149.13223	24.8
151.11227	8.7
157.10092	29.0
159.11705	100.0
159.52974	7.3
161.06017	13.2
161.09631	10.1
161.13271	64.0
163.03889	13.4
163.07491	8.9
167.07053	19.2
167.08540	10.3
169.07709	8.1
169.10022	12.4
171.11633	12.0
173.13257	11.7
177.12714	32.1
181.04953	65.0
181.06384	10.3
189.16364	49.6
195.08043	17.9
198.06711	8.0
199.14812	35.1
212.04599	8.1
213.05530	8.8
213.09128	21.5
215.06969	14.7
217.15836	69.9
221.08083	18.7
223.07680	11.1
235.16899	40.1
241.08594	52.4
255.11253	9.7
259.09653	31.3
271.05975	25.4
271.19162	9.7
274.11795	12.1
284.10287	9.0
372.86636	8.1
403.13721	25.7
426.57336	8.7
433.15009	32.4
433.20282	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2429
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
67.05504	11.6
67.60600	5.6
69.03438	9.1
69.07079	5.3
69.69731	38.5
71.05022	5.0
81.07078	13.0
84.08156	13.4
85.02927	16.6
91.05508	9.5
93.07053	10.3
95.04986	8.2
95.08619	9.4
97.02911	10.1
97.06564	23.6
105.07052	23.7
107.08603	10.2
119.08622	12.1
128.35640	4.8
131.08566	6.3
133.10153	14.7
143.08575	6.1
147.11772	7.6
157.10193	14.2
159.11696	28.1
161.13271	20.3
163.03944	6.9
171.34665	5.0
173.02425	5.4
175.14977	5.8
177.12827	23.4
181.04956	12.6
199.12306	8.9
199.14915	6.8
212.09523	7.4
215.07066	12.2
217.15930	19.1
227.11734	28.7
235.16989	26.8
240.08998	14.3
241.09647	8.1
253.17877	8.7
255.11276	100.0
259.09656	10.4
283.10754	36.9
292.81018	5.7
415.14795	9.5
433.15341	18.0
434.15894	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	433.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.9
65.03931	7.3
67.05488	33.4
69.03432	17.0
69.07069	17.3
69.82090	44.5
70.06585	23.7
71.05004	7.1
72.08163	10.7
76.22399	7.4
79.05483	29.1
81.03398	12.3
81.07050	55.1
83.04978	9.2
83.08611	8.7
84.08130	19.9
85.02889	30.4
86.09705	41.0
88.07771	7.1
91.05479	35.3
93.07048	38.6
95.04930	10.4
95.08609	43.6
97.06525	34.2
105.07029	82.0
107.08603	41.9
108.04385	6.7
109.10172	25.0
117.06989	22.7
119.08571	59.5
121.10117	20.2
125.10828	6.1
127.03902	7.8
129.06999	12.1
131.08545	32.4
133.10153	51.8
135.39101	6.3
137.05969	48.3
142.07806	9.0
143.08543	33.5
144.09299	10.9
145.06459	8.8
145.10083	18.4
147.11685	19.7
149.13261	22.1
157.10120	40.5
159.11673	100.0
161.05998	44.6
161.13248	80.3
167.06952	10.6
167.14380	8.9
169.12198	7.3
171.11665	8.0
175.14772	9.4
177.12772	32.8
181.05013	14.5
189.16365	46.7
195.08095	9.8
199.14859	35.4
213.09096	16.5
215.07018	25.9
217.15837	55.0
227.48317	7.6
235.16939	21.6
241.08604	27.4
249.08966	8.5
255.11388	16.7
259.09644	27.3
281.09503	8.0
309.11069	11.9
323.11404	7.1
342.56137	7.2
369.95160	7.9
401.13934	15.9
402.21072	7.1
433.15677	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	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05518	12.2
57.03438	13.7
57.07070	3.5
57.43789	2.0
58.84783	2.1
65.03931	2.4
65.08819	2.2
67.05505	49.6
67.37324	2.2
69.07061	10.0
71.08633	3.7
71.64182	3.3
75.72978	2.1
78.53519	1.7
79.05493	41.9
81.07052	58.6
83.08636	5.9
85.06552	3.2
85.10166	3.1
89.70921	2.0
91.05479	20.4
93.07045	53.6
94.18823	2.2
95.04942	4.9
95.08607	49.8
97.06512	4.2
98.98463	69.0
99.08095	2.8
105.07032	17.9
107.08588	33.1
109.06485	2.6
109.10154	20.8
113.09608	2.4
117.06984	12.6
119.08569	12.1
121.06536	2.7
121.10149	26.7
123.11713	7.6
129.05458	2.4
131.08554	22.5
133.10123	11.7
135.11749	15.6
137.13232	3.3
145.10095	14.5
147.11707	6.9
149.13258	11.7
155.01067	7.9
159.11714	7.2
161.13292	6.8
163.14815	16.1
171.11775	2.4
173.02139	12.2
173.13370	10.3
175.14905	2.8
177.16383	3.9
181.04984	2.8
187.14836	5.9
217.19461	2.4
233.22728	4.5
243.21146	27.7
261.22141	54.8
266.04706	2.2
317.24832	9.2
335.25800	100.0
336.26123	3.2
433.26486	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03930	2.4
55.01854	2.0
55.05508	14.7
56.63641	1.7
57.03441	14.1
57.07064	4.4
65.03942	1.9
67.05503	66.8
69.07073	12.0
70.68355	3.6
70.68748	4.2
71.08614	2.7
72.85719	2.0
75.04894	1.7
77.51102	1.6
79.05051	3.1
79.05491	37.8
81.07055	72.6
83.08620	6.4
85.06551	2.8
91.05488	15.9
93.07043	51.5
95.04980	4.6
95.08605	56.6
97.06543	2.4
97.10186	2.0
98.98463	89.4
105.07037	15.6
107.08598	30.6
109.06546	2.1
109.10152	25.8
114.93790	1.7
116.99523	3.6
117.07043	7.2
119.08566	13.4
121.10142	20.9
123.11704	12.7
130.07774	1.9
131.08542	14.0
133.10091	10.1
135.11684	17.2
137.13301	3.3
145.10110	12.4
147.11684	11.1
149.13252	16.2
155.01028	8.2
159.11693	8.5
161.13246	5.3
163.14828	10.0
173.02118	14.2
173.13264	8.5
175.14822	3.4
177.16319	2.1
187.14856	5.7
243.21089	16.0
261.22131	51.1
279.23312	4.4
315.88513	1.8
317.24774	9.3
335.25806	100.0
336.25839	4.1
357.51578	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	433.1492
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03938	2.9
55.01857	2.1
55.05504	2.0
57.03432	1.5
59.16142	1.3
65.03940	6.1
67.05487	4.0
69.03418	3.5
69.07053	2.7
69.39333	2.7
69.39745	9.8
70.06593	1.3
77.03967	1.2
78.04689	2.0
78.58125	1.0
79.05490	12.4
81.03387	1.8
81.07053	2.6
82.04180	2.7
83.04948	1.1
85.02892	6.5
91.05457	3.5
93.07004	1.5
94.04182	1.1
95.04948	8.1
95.08574	1.5
97.02858	2.3
97.06519	8.9
97.10140	1.0
98.21480	2.2
99.04450	1.0
101.34209	1.2
103.05458	3.4
105.07020	7.7
107.04955	18.4
107.08604	1.3
108.02029	1.3
109.02847	1.4
109.06503	1.5
110.03638	5.0
111.04413	4.2
115.05437	3.6
117.07037	1.5
118.04154	10.4
121.06465	1.6
122.03660	1.8
123.04385	8.0
123.11716	1.4
124.05193	4.3
124.63553	1.2
125.05976	5.4
131.04897	3.2
133.06476	9.7
135.04413	1.4
135.05544	1.2
135.08003	1.5
137.02332	2.1
137.06004	2.0
138.03111	2.0
140.04669	1.3
141.05464	2.0
141.07008	1.1
142.02594	2.8
145.06480	2.5
146.03642	2.1
152.04668	2.4
153.05457	4.1
155.07024	3.3
159.04420	2.3
160.05232	1.4
161.02304	1.3
161.05966	13.0
163.03886	4.5
163.07535	2.0
167.07028	65.2
168.07391	1.6
169.04956	1.7
171.06479	5.9
173.02332	3.5
173.05942	2.4
175.07530	1.9
181.04950	100.0
182.05359	3.3
183.06493	5.6
189.05463	21.3
191.03426	2.9
191.06984	2.6
193.08592	13.0
195.08051	1.5
205.08563	2.4
206.05615	1.3
207.06509	2.6
209.08107	1.4
215.06985	4.6
219.06512	1.8
220.05168	1.1
221.05937	2.4
221.08067	30.3
224.08258	1.3
225.09138	1.2
233.08040	5.5
235.07553	1.6
237.05377	1.8
249.05351	1.6
249.07570	15.4
251.06889	1.3
251.09239	1.9
259.09732	8.7
263.06848	1.7
265.08713	1.3
287.70422	1.1
291.06509	1.8
295.09601	3.5
323.09210	3.0
343.11841	5.8
355.11765	2.2
373.12668	7.0
383.11508	1.4
401.12305	4.1
403.08533	2.6
403.13870	52.1
404.14017	3.3
405.15158	2.0
415.13763	2.4
433.14758	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1493
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03940	1.6
55.01858	2.6
55.02092	0.6
55.05502	1.4
57.03458	0.6
60.89236	0.6
65.03939	7.8
67.05508	5.3
69.03416	2.6
69.07059	2.4
69.98204	3.5
70.06572	0.6
71.04996	0.9
77.03904	0.7
79.05489	10.4
81.03401	0.9
81.07044	2.6
82.04193	3.3
83.04926	0.8
83.08623	0.7
84.08130	1.7
85.02507	0.6
85.02908	6.5
91.05472	2.7
93.03397	1.7
93.07030	2.3
95.04957	7.2
95.08624	2.7
97.02917	0.9
97.06519	6.5
101.02314	0.7
103.05470	1.0
105.04530	0.6
105.07020	10.0
107.04954	14.9
107.08591	1.9
108.02097	1.3
109.06523	1.0
109.10162	1.2
110.03650	4.0
110.37103	0.6
111.04421	1.8
115.05473	1.7
117.06971	1.3
119.08540	2.0
121.02872	0.7
121.06495	1.2
121.10141	1.3
123.04433	5.3
123.11714	0.6
124.05202	2.0
125.05997	3.8
127.03909	0.6
129.06992	0.6
131.04890	1.3
131.08572	0.6
132.05702	0.6
133.06477	6.3
133.10115	1.7
135.04393	0.7
135.11641	0.7
137.05937	2.0
138.03136	2.1
139.03908	1.2
140.04680	1.3
142.02568	3.1
145.06447	1.3
146.03688	0.9
147.04398	0.6
147.11673	0.9
149.05983	0.9
149.09589	0.9
152.04652	1.9
153.05420	1.4
155.07033	1.7
155.08508	0.6
157.10126	0.8
159.11697	1.3
161.05989	10.0
161.13258	1.0
162.06564	0.6
163.03885	3.0
163.11208	0.9
167.07042	21.9
168.07434	0.7
171.06531	6.2
173.02336	1.1
177.12691	1.0
178.06294	1.2
179.06938	0.7
179.10413	0.6
181.04950	100.0
182.05267	2.4
183.06537	3.8
183.11642	0.6
189.05466	1.3
191.07010	1.1
193.08607	11.9
199.14838	0.9
205.08643	0.8
206.05740	1.6
207.06482	1.5
217.15843	1.1
219.06427	0.7
221.08080	29.8
222.08443	1.0
233.08118	4.1
235.16850	0.9
243.14189	0.6
249.07570	17.4
259.09735	4.3
263.09094	0.9
277.08698	0.9
325.10645	0.9
341.21048	1.9
342.10855	0.9
353.10318	0.6
357.21307	0.6
372.12079	1.0
373.12909	1.0
374.36465	0.6
385.12402	0.6
403.13879	54.7
404.14319	4.3
415.13852	2.3
415.24576	0.9
433.14865	4.8
433.26056	2.8
434.15988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1491
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03931	1.4
55.01857	1.1
65.03933	7.9
67.05507	2.6
69.03404	1.7
69.07045	0.7
69.57401	4.6
70.06577	0.8
71.04973	1.5
79.05491	9.3
81.03445	0.5
81.07004	1.0
82.04204	3.3
85.02905	6.9
86.09671	0.7
91.05466	1.5
93.03373	1.6
95.04973	6.4
97.02863	1.5
97.06524	3.5
103.05446	1.3
104.93512	0.5
105.04465	0.7
105.07038	7.1
107.04951	18.1
108.02061	1.0
110.03658	3.3
111.04424	2.0
115.03870	0.6
115.05450	1.2
122.03649	0.8
123.00798	0.8
123.04418	5.6
123.08052	0.6
124.05199	2.1
125.06013	2.8
131.04912	1.2
133.06485	11.1
137.05952	0.8
138.03125	2.7
140.04692	1.3
142.02579	2.3
146.03583	0.7
151.07553	1.0
152.04668	1.2
153.05496	3.3
155.07045	2.6
161.05974	10.8
167.07033	21.1
171.05371	0.6
171.06551	5.7
178.06323	0.6
181.04945	100.0
182.05313	2.5
183.06494	3.2
189.05423	1.7
191.06946	0.5
193.08601	12.8
205.08528	0.6
206.05727	1.8
221.08075	33.1
233.08080	0.7
249.07585	18.3
250.08063	0.6
287.05527	5.5
299.09113	0.6
325.10571	1.0
327.08554	0.8
341.10303	0.9
342.10968	0.7
372.12088	1.3
373.12775	1.5
403.13867	68.8
404.14154	4.5
433.15436	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01862	2.5
57.03420	1.7
61.02906	1.4
65.03937	0.8
67.05491	0.9
68.99778	1.4
69.03425	6.2
70.14617	3.0
71.04990	0.7
73.02904	1.0
75.04472	1.0
75.92770	0.7
76.90678	0.7
79.05481	1.5
81.03413	7.1
81.65611	0.7
82.04175	0.7
83.04963	0.7
85.02419	1.0
85.02904	16.1
86.09692	1.2
87.00823	6.1
95.01303	1.8
95.04964	1.4
95.49294	0.6
97.02889	6.9
99.04455	3.5
105.01846	3.7
105.07014	1.1
107.04939	1.8
109.02857	6.8
110.03662	8.5
111.04414	2.5
117.01830	1.3
123.04433	1.7
125.05983	29.8
127.03909	12.1
129.01823	2.4
133.06517	1.3
137.05936	0.8
138.03098	1.1
139.03891	6.2
145.04930	3.7
147.02847	1.3
147.37027	0.8
151.07547	1.1
153.05455	53.7
154.06245	19.3
155.03387	1.6
155.07016	1.1
159.02921	5.2
161.05972	1.4
163.03851	1.0
166.06396	1.2
167.07028	5.1
169.05016	2.2
170.05727	9.0
171.06528	0.8
178.06259	3.4
181.04944	11.8
184.07272	1.6
185.08081	100.0
186.08417	1.6
189.03854	1.0
192.07809	0.9
193.08633	1.2
194.05748	2.1
206.05788	1.4
209.08086	7.4
215.06880	0.9
221.04433	0.9
221.08104	4.5
227.09175	4.8
231.04997	1.3
236.06772	3.6
236.44067	0.7
247.09669	1.4
249.07564	2.6
251.09116	2.3
275.09033	3.8
287.05414	1.4
293.10248	4.8
326.97455	0.8
403.13907	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	433.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01858	2.9
55.05504	1.4
57.03435	1.2
58.06591	1.5
58.99575	0.8
61.02921	2.6
64.06035	0.7
65.03923	1.1
67.05524	1.0
68.99794	2.1
69.01733	1.0
69.03436	9.8
69.07048	1.0
69.81937	0.9
70.06581	2.2
70.27232	3.8
71.04986	1.3
72.08161	1.0
73.02905	1.8
79.05485	2.4
81.03423	7.1
81.07066	1.5
83.04950	1.5
84.04498	1.4
84.08125	1.6
85.02908	17.5
86.09693	3.3
87.00821	6.3
91.03953	1.0
91.05462	1.6
95.01324	2.2
95.04956	3.4
95.08595	1.9
97.02908	6.6
98.21451	1.5
99.04453	4.0
103.05470	1.6
105.01887	5.3
105.07032	1.3
107.04948	2.4
107.08591	1.9
109.02890	8.4
109.06528	0.9
110.03672	8.9
111.04431	3.4
119.08580	1.1
121.10178	1.1
123.08079	0.9
125.05991	30.2
127.03922	12.4
129.01871	1.7
131.04922	2.3
131.08499	1.0
132.15976	0.9
133.06488	1.2
135.04362	1.2
137.05963	3.8
139.03928	5.8
141.06927	1.5
145.04924	4.2
151.07515	0.9
152.04524	1.0
153.05466	57.6
154.06244	17.4
155.03392	1.0
155.06992	1.9
159.02890	4.4
161.06004	2.3
166.06372	1.0
167.07083	6.9
167.08351	1.4
169.04919	1.5
169.06390	1.2
170.05797	8.0
177.05469	1.4
178.06245	3.3
181.04948	7.3
183.06557	1.7
185.08093	100.0
187.07620	1.3
188.06929	1.0
193.08604	1.7
194.05811	3.1
195.08043	1.5
200.04753	1.6
209.08064	6.6
213.09097	2.3
215.06985	4.5
221.08104	3.3
221.86162	0.8
227.09085	4.6
231.05080	2.0
236.06848	3.2
241.08591	1.9
247.09579	1.1
249.07414	1.9
251.09151	2.7
251.11893	0.9
259.09598	4.7
260.34344	0.9
275.09097	2.9
277.08554	1.8
293.10159	5.6
367.00827	0.9
381.08661	1.0
401.14105	1.2
403.14014	5.6
433.15344	4.7
453.32254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35586	1.7
51.60796	1.7
53.03910	1.7
56.96563	13.2
60.70899	1.7
69.03410	5.2
69.36197	10.7
69.36626	8.1
70.98112	2.8
71.04992	3.0
72.08137	4.0
73.02888	2.1
77.00895	3.8
81.03400	5.1
81.77259	1.8
85.02861	4.6
86.09753	2.6
95.04972	2.8
99.04466	9.6
100.00089	4.4
101.00865	5.4
109.02877	3.7
109.03520	2.1
110.26975	1.8
113.00893	5.1
114.06774	19.1
115.01673	2.4
115.02367	9.5
116.98637	3.9
118.01144	14.1
119.01918	24.5
119.02708	3.0
131.00174	2.0
131.01891	24.9
132.02681	2.9
132.49750	1.9
133.03481	17.0
137.02956	5.5
138.01642	7.3
141.03990	5.3
143.01796	2.5
144.02710	5.2
145.03453	9.3
145.38066	2.1
146.99660	3.0
147.05042	2.4
149.02982	2.7
151.02541	2.3
155.05478	2.7
156.02672	51.9
157.01714	2.5
157.03452	12.4
158.04182	6.7
158.99745	1.7
159.01370	4.7
159.05045	16.7
161.01239	3.7
161.02965	7.3
166.01176	8.4
167.01910	6.2
169.03397	9.0
170.04297	2.3
171.05032	21.0
173.02954	4.1
173.06601	24.8
174.03716	9.0
175.04530	7.0
181.03430	6.8
182.04257	2.8
182.06676	2.5
182.99870	1.7
183.04999	2.9
184.02164	50.0
185.02963	10.5
185.04507	2.1
187.04504	3.1
189.06050	9.8
191.02284	3.0
191.03951	3.7
191.07668	8.5
195.04999	3.5
196.05795	3.2
197.01254	2.4
197.06622	3.2
198.03719	17.2
199.04527	33.8
201.00780	3.4
201.04320	2.7
202.03194	8.5
203.03978	4.6
203.05795	1.8
213.06087	14.6
214.06802	3.6
215.02275	5.3
215.07643	3.7
216.04816	8.7
217.05580	31.0
218.43201	2.1
219.01758	4.3
221.06499	2.7
222.06111	2.8
231.07121	11.4
233.03308	10.1
235.06610	3.3
237.06177	2.2
241.05586	2.9
249.08191	100.0
250.08337	4.3
255.07213	3.6
263.09793	3.6
265.05887	2.3
267.09250	54.7
272.06885	1.9
272.09549	3.9
281.10767	5.8
290.10812	3.7
311.09689	3.0
313.11288	9.9
329.10809	57.8
339.09250	7.1
343.04993	2.3
345.13983	4.6
353.09064	6.7
357.10281	63.4
371.07608	2.2
371.11768	12.8
373.10162	2.6
375.11331	89.7
376.11310	2.5
383.08142	3.5
389.12921	69.6
390.13373	2.4
393.12335	7.8
398.12875	4.1
401.09232	2.6
407.13879	2.9
415.10809	10.1
433.11902	50.4
434.12091	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
52.45208	0.2
55.01865	0.5
55.05502	0.4
57.03422	0.9
61.02924	1.2
67.05489	0.6
69.03432	0.6
69.07059	0.4
70.95663	0.5
73.02914	9.3
79.05477	0.8
81.03415	0.3
81.07039	0.6
84.08104	0.4
85.02884	0.7
91.05459	0.8
93.07047	0.4
95.04945	0.8
95.08615	0.3
97.06529	0.8
97.10170	0.3
105.03373	0.2
105.07033	0.7
107.04977	1.2
107.05617	0.2
107.08597	0.4
111.04439	0.2
115.03919	0.7
119.08590	0.4
121.02850	2.9
121.06491	0.2
121.10136	0.4
123.04414	0.4
124.01549	0.4
129.07022	0.3
131.04883	0.3
131.08560	0.4
133.02843	0.4
134.03596	0.2
139.84422	0.3
145.58647	0.2
147.04398	0.5
149.09654	0.2
151.03871	0.6
161.13322	0.3
163.03908	0.5
167.03392	2.6
167.06970	0.4
171.11678	0.3
179.03381	1.0
181.04977	0.6
189.12747	0.4
197.04353	0.5
199.07434	0.4
203.58017	0.2
212.04727	0.5
227.07034	0.6
241.08640	0.3
245.08179	0.4
255.06490	0.9
257.04520	0.8
258.05219	5.6
259.09644	0.5
272.06723	0.8
273.07635	0.4
283.05936	0.7
286.04712	4.4
301.07047	100.0
302.07410	3.2
313.07065	1.2
339.08673	0.2
341.20996	1.2
343.08115	0.6
359.22318	0.3
367.08118	0.5
373.08942	0.3
379.07904	0.4
397.09131	0.6
415.24768	0.6
422.36832	0.2
422.43155	0.2
433.10779	1.9
433.25516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01862	3.7
55.05508	7.2
56.05032	11.8
57.03436	4.6
58.06604	12.0
60.04512	2.0
61.02913	5.4
67.05502	11.0
69.03423	19.3
69.07055	9.4
70.06585	9.6
71.04988	6.0
71.38156	3.8
72.08145	4.7
73.02922	2.6
79.05479	6.8
81.03398	6.7
81.07067	13.6
83.04948	2.2
83.08620	3.2
84.04495	3.5
84.08133	6.8
85.02895	23.5
85.90183	1.8
86.06069	2.2
86.09711	6.6
87.04459	3.2
87.10036	2.7
91.05474	7.4
93.07027	12.1
94.06535	2.1
95.04993	3.9
95.08607	25.3
96.08137	7.3
97.02905	13.0
97.06522	3.3
97.10137	2.6
98.06027	2.0
98.09693	5.8
98.97581	2.8
99.04461	10.8
101.23495	2.0
105.07025	15.8
106.32143	2.0
107.08573	18.2
108.08096	7.6
109.02876	4.2
109.06523	8.5
109.10150	11.7
110.09690	7.7
111.08085	4.9
113.09681	2.2
115.05400	2.3
117.07043	4.1
119.08586	24.3
120.08053	3.0
121.06525	2.2
121.10133	13.4
122.09704	3.0
123.08046	9.0
123.11741	3.4
125.06021	4.0
125.09612	2.9
127.03915	11.6
129.06987	2.5
129.10202	2.7
131.08588	8.4
133.10110	23.3
134.09599	3.1
135.08070	3.3
135.11655	12.8
136.11208	2.7
137.05957	2.9
137.09583	5.3
138.77101	2.1
139.11186	2.5
143.08572	2.8
144.09268	2.0
145.10103	7.4
146.09625	2.8
147.11679	4.8
149.13239	3.5
150.12894	2.3
151.03903	9.0
151.07558	3.0
152.04283	4.1
153.05484	6.6
153.09108	2.9
154.06270	3.3
157.04999	2.5
158.10928	3.8
159.11763	10.3
160.11218	3.5
161.13287	2.6
163.03951	2.4
169.04959	4.9
173.13228	14.0
174.12634	2.4
175.09601	2.5
175.14864	8.8
178.12343	2.1
180.94092	2.1
184.07291	4.3
185.08115	15.1
186.07599	2.6
187.01395	1.9
191.14261	3.7
193.15874	3.3
194.15457	2.7
204.08699	7.0
208.17010	3.1
216.17459	9.7
216.67612	2.3
217.12494	1.9
217.15923	2.9
222.09726	3.7
226.18082	2.6
234.18501	47.2
235.16925	6.4
252.19553	62.4
270.07745	3.5
270.20615	17.6
396.23730	4.8
414.24835	100.0
415.25031	4.7
432.25919	55.8
433.16492	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.02717	1.8
57.07079	20.4
62.02495	1.7
67.05505	3.0
69.07052	6.8
71.08632	16.8
71.64337	2.9
81.07066	9.8
83.04947	2.4
83.08599	5.4
85.10171	7.2
88.32053	1.6
93.07044	6.6
95.08602	7.8
97.10172	5.6
99.11730	2.3
105.07023	2.0
109.06534	4.5
109.10149	4.4
111.11707	2.9
121.06483	2.4
123.08073	3.4
137.05965	14.0
139.07536	6.1
149.05986	3.7
151.07533	27.8
157.21667	1.8
161.05992	2.7
161.09584	3.0
165.05469	11.2
165.09129	11.7
167.07034	100.0
175.07570	6.1
175.11212	2.3
177.09074	5.2
178.06059	1.7
179.07057	3.1
179.10696	5.4
181.08630	4.6
189.09087	7.4
191.07039	2.0
191.10667	2.2
192.07811	2.2
193.08572	12.7
203.10651	5.5
205.12125	2.6
207.10164	16.3
217.12219	4.1
221.11694	6.7
225.67444	1.8
231.13835	2.5
231.70035	1.6
235.13286	3.7
239.48933	1.7
245.15286	1.9
263.16260	1.8
403.35501	2.7
413.34030	5.8
431.35175	38.5
432.35471	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	432.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.4
55.01862	6.5
55.05509	15.0
56.05021	14.9
57.03432	7.1
58.06594	13.8
60.04519	4.1
61.02922	6.2
67.05503	10.5
68.87298	2.5
69.03425	43.6
69.07064	14.5
69.53069	25.8
70.06591	17.3
71.04981	8.1
72.08134	11.0
73.02888	2.5
74.06063	3.7
79.05480	6.4
81.03409	20.5
81.07051	15.4
83.04978	8.2
83.08607	17.1
83.20825	2.6
84.04501	6.2
84.08143	10.7
85.02900	33.9
86.06065	5.0
86.09698	18.6
87.00830	3.3
87.04469	4.1
87.10048	2.7
91.05470	12.2
91.94184	2.8
93.07046	16.1
94.06587	3.4
95.04953	6.5
95.08596	21.3
96.08109	6.5
97.02882	19.8
97.06515	4.8
98.06046	3.6
98.09679	7.8
98.20760	6.2
99.04443	12.0
102.05569	3.5
105.07031	19.1
107.04942	5.5
107.08598	13.5
108.08115	12.1
109.02877	9.6
109.06511	5.8
109.10156	9.6
110.09669	7.3
111.04433	4.9
111.08066	7.1
117.07026	5.9
119.08567	27.7
120.08100	5.4
121.06506	4.9
121.10127	13.9
122.06061	3.0
122.09645	3.3
123.08046	8.6
124.11199	4.7
125.05974	7.3
125.09633	3.0
127.03902	27.8
131.08594	14.6
133.10136	28.0
134.09619	3.5
135.08064	5.1
135.11691	12.4
136.11205	4.4
137.06006	3.8
137.09612	5.8
139.07579	3.1
139.11186	3.3
141.05424	3.3
143.08493	6.8
145.04964	4.1
145.10103	9.5
147.04384	3.0
147.11678	5.9
151.07579	5.8
153.05443	17.6
157.04968	2.6
159.11685	10.1
161.13278	3.8
163.03894	4.0
165.05569	3.8
169.04927	5.7
171.11600	3.4
173.13269	15.9
175.09714	14.1
175.14775	10.0
177.12749	2.9
178.12241	3.7
179.03358	4.2
184.07295	5.8
185.08084	26.5
185.09569	4.7
186.07657	3.8
191.14322	3.9
193.15891	3.7
194.15424	4.6
204.08711	8.9
209.15326	4.6
216.17511	9.3
222.09766	3.4
234.18512	41.9
235.07677	3.5
235.16728	6.0
241.08714	3.2
252.19574	65.8
270.07742	5.3
270.20645	22.8
271.11707	3.9
283.11584	3.6
301.32751	3.3
396.23828	4.4
402.82300	2.9
414.19305	5.4
414.24820	100.0
432.25989	50.0
433.16656	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	430.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12823	23.7
66.63175	24.1
67.05495	32.2
69.07047	40.7
70.16495	100.0
70.16912	44.5
71.04932	36.7
78.81484	26.3
81.03451	26.5
81.07046	62.9
81.48198	30.0
93.07028	27.9
95.08595	69.5
105.07011	50.3
107.08591	46.3
114.69963	25.5
119.08578	53.8
157.06415	28.7
170.06868	28.4
231.85738	26.7
317.73041	27.9
377.26785	29.4
430.32233	44.9
431.09030	31.5
444.88086	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	430.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.8
67.05486	19.2
69.07056	11.4
69.65038	18.2
69.65440	70.2
79.05488	15.4
81.07041	38.2
85.02936	12.0
88.02918	10.8
91.05444	17.2
93.07014	32.1
95.08605	35.1
98.21638	14.7
105.07052	26.2
107.08587	29.3
119.08588	15.8
128.13358	11.5
157.10027	12.4
159.11681	17.6
161.13124	11.1
184.21632	10.7
189.12726	19.2
273.49759	11.9
360.03168	13.4
430.19183	20.3
430.27655	11.1
430.32452	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	431.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05513	12.9
57.03431	12.6
57.07050	3.0
67.05500	27.7
69.03404	2.4
69.07059	10.5
71.04987	3.0
71.08616	1.7
71.62608	2.3
75.00416	1.8
75.04482	2.9
79.05485	31.1
81.03403	3.6
81.07056	39.1
83.08621	6.0
84.95810	1.7
91.05470	42.5
93.06490	2.3
93.07041	37.1
95.04942	5.5
95.08602	26.1
97.06513	5.2
97.10166	2.7
98.98463	100.0
99.08096	2.9
103.34844	2.0
105.07027	44.7
107.08591	25.7
108.31020	2.1
109.06467	4.1
109.10195	9.7
111.11752	2.1
116.99503	2.0
117.07032	11.3
119.08578	57.0
121.10152	21.6
123.08059	2.1
129.05447	4.8
129.06982	8.7
131.08563	19.9
133.10129	39.4
135.11681	18.7
139.09285	1.7
142.07655	2.5
143.08548	7.9
145.10118	20.9
147.11688	35.7
149.09604	2.3
149.13293	12.2
155.00993	4.3
157.10123	11.0
157.11208	2.0
159.11685	17.8
161.11978	3.9
161.13249	47.0
163.11201	2.1
163.14806	5.7
169.10042	2.5
171.11697	15.0
173.02109	22.6
173.13251	15.0
175.14830	26.8
177.12732	4.3
185.13258	11.2
187.14789	5.2
187.90523	1.9
189.12733	3.4
191.14127	2.1
199.14830	6.0
213.16240	2.3
215.17924	4.6
217.19505	6.1
229.48363	2.1
231.21034	9.8
238.41653	2.2
241.19499	56.9
243.21126	3.0
259.20578	80.9
277.21487	5.1
297.38116	2.1
315.23163	7.5
333.24219	92.5
334.24353	1.8
431.21924	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.9
57.03436	22.4
57.07067	17.4
57.43629	1.8
60.04527	2.4
61.02916	3.6
63.04492	21.5
69.03428	62.8
70.06581	5.0
70.74985	5.5
73.34616	1.8
81.03399	2.0
84.04454	2.5
85.02900	61.2
86.09693	10.3
87.03922	3.2
87.04464	54.0
94.71753	2.0
97.02287	3.7
97.02890	56.2
109.02866	3.1
111.14697	2.4
115.03930	83.4
119.10697	100.0
127.03887	11.6
133.04967	76.7
137.05928	6.7
145.04933	9.1
150.07648	4.1
189.09111	41.9
207.10153	28.9
233.11742	18.7
241.07126	2.8
251.10588	3.0
251.12796	4.6
259.08203	4.2
296.06567	2.4
307.16269	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	430.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01873	4.4
55.05521	4.8
56.30599	3.7
57.03441	10.1
57.07038	4.1
58.06585	14.5
61.02922	4.1
67.05505	16.7
69.03425	19.1
69.07053	9.8
70.06596	44.3
71.63827	5.6
72.08151	11.8
73.02924	7.1
79.05463	6.5
81.03406	8.9
81.07043	7.4
83.04980	9.7
84.04488	7.1
84.08141	17.9
85.02911	48.1
85.06546	10.9
86.06062	5.8
86.09714	52.3
87.04446	4.2
91.05415	4.3
91.94081	3.2
93.07043	10.8
95.04964	12.7
95.08607	57.1
96.08128	4.6
97.02875	15.5
97.06502	3.8
97.10217	3.2
99.04443	3.9
105.07022	21.1
107.08604	17.3
108.08118	61.0
108.08847	5.5
109.06492	8.8
110.06047	14.0
111.04462	4.3
112.07661	4.2
113.05965	9.8
117.07020	4.9
119.04958	4.2
119.08589	31.5
120.08121	5.5
121.06493	10.7
121.10157	31.2
122.09699	6.9
123.08073	33.8
123.11709	7.1
124.07581	5.6
125.09594	5.5
127.03898	19.5
129.06926	4.5
129.10303	4.1
130.06462	4.3
131.08557	16.0
133.06506	7.8
133.10138	12.5
135.08023	8.2
135.11665	11.0
137.05966	10.4
137.09589	4.7
143.08554	13.2
145.04936	10.7
145.10127	12.7
147.11653	23.4
149.09647	23.8
151.07515	5.0
152.10619	6.2
153.05383	3.8
157.10092	4.7
160.11250	4.1
161.06015	5.0
161.08365	5.9
161.09618	3.4
161.13258	10.3
163.11169	8.6
165.12671	4.5
167.10594	6.9
171.11641	8.7
173.13255	6.4
174.12811	3.6
175.11150	7.8
176.10692	28.1
179.92018	3.4
185.13222	4.8
189.09109	73.8
189.12686	16.8
190.07816	3.9
190.09430	4.7
190.15955	6.1
191.08545	32.9
193.12227	4.8
207.10208	35.4
207.13780	70.1
208.14183	6.0
208.16858	5.7
213.12741	15.5
215.14317	5.1
219.08043	22.9
222.18416	3.7
223.06012	11.8
231.13715	8.3
232.16919	16.6
233.11760	34.8
233.15331	8.7
248.12808	4.3
250.15366	3.2
250.17999	100.0
251.10712	32.5
251.12929	6.8
251.16386	7.2
252.11063	4.3
268.06244	3.6
268.13446	7.0
268.19052	12.4
269.07889	5.4
279.58319	3.4
280.12515	3.4
356.59940	3.5
360.02798	5.4
412.23679	5.6
430.19107	5.1
430.24451	7.6
431.18814	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72820	0.3
53.03938	0.8
55.01861	2.2
55.05513	0.4
57.03432	3.7
59.79497	0.4
61.02932	3.9
67.05495	0.5
69.03074	0.6
69.03428	9.1
69.07065	6.1
69.58775	3.1
71.01344	0.5
71.04984	0.8
73.02898	1.6
79.05496	1.9
81.03413	3.7
81.07030	1.1
81.62079	0.3
82.06557	0.6
83.04967	0.6
85.02902	36.4
87.04465	0.6
91.03953	1.6
91.05466	2.8
95.04944	1.0
96.08135	0.5
97.02901	3.0
97.06518	4.5
99.04471	2.5
101.02372	0.7
103.03908	1.0
107.04958	0.5
109.02873	1.8
109.06451	0.6
117.07042	0.5
119.04924	2.2
121.06542	0.4
123.04424	3.3
127.03915	12.4
128.06221	0.4
131.04942	0.4
131.08595	0.4
135.04396	0.6
136.05156	0.5
137.05972	16.4
144.06548	0.5
145.03885	0.7
145.04955	9.2
145.06259	0.6
145.06519	0.6
145.98557	0.4
147.04446	0.4
149.05949	0.5
151.07549	0.5
153.05519	0.6
154.06259	1.0
154.07837	0.7
158.07193	0.8
159.08046	1.2
160.05185	1.2
161.05940	0.7
161.23691	0.4
161.39095	0.4
162.07590	0.9
163.03923	0.4
163.05989	2.4
164.13364	0.4
165.05495	5.3
169.10233	0.4
173.04642	0.5
173.05910	2.2
179.07103	0.5
180.08667	4.1
181.04982	0.4
185.59901	0.4
186.06764	1.1
187.07484	0.5
187.11142	0.7
189.09117	0.8
191.07028	23.3
192.07399	0.7
197.09674	0.8
202.09756	0.4
204.07819	0.8
205.08612	0.8
215.10684	5.6
233.11719	100.0
234.12135	2.4
241.08321	0.6
241.10718	9.3
251.12758	3.0
289.63513	0.3
290.51099	0.4
341.13638	0.7
359.14859	0.8
370.81049	0.3
377.16061	0.7
394.91837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03432	6.0
61.02921	4.1
67.05471	1.7
69.03091	2.1
69.03424	11.6
69.07076	3.9
69.91387	7.8
71.05006	3.1
71.20438	1.2
79.05485	4.9
81.03422	5.8
82.03770	1.8
85.02902	48.5
89.06064	1.8
91.03963	1.7
91.05486	4.1
95.04971	1.9
97.02906	5.7
97.06527	35.3
97.07128	2.2
98.03236	1.6
98.21472	1.6
99.04429	2.3
105.07012	2.1
106.12267	1.5
107.04990	1.2
109.02885	2.9
109.06486	1.4
112.48995	1.2
115.05421	1.4
117.07005	3.6
119.04978	2.4
121.06516	2.5
123.04445	3.7
127.03931	14.6
131.04961	2.6
133.06487	1.5
135.04428	3.1
137.05968	26.7
145.04953	8.7
145.06464	7.5
147.04431	1.7
149.05983	13.9
151.07515	2.4
153.95384	1.3
159.08069	2.0
163.03876	3.0
163.06146	2.6
163.07555	7.1
163.13219	1.4
164.13675	1.5
165.05493	6.1
167.07060	6.7
169.04094	1.2
169.10072	2.6
173.06030	4.2
177.05475	1.6
177.37305	1.3
179.07022	4.6
181.04964	12.2
187.11166	1.8
189.09109	5.5
191.07010	16.4
197.09630	2.0
207.10149	7.8
215.10646	12.8
229.80174	1.4
233.11723	100.0
234.12122	2.8
251.12790	54.6
377.15900	1.5
401.37939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03432	3.3
61.02931	5.1
65.72974	0.9
69.03423	8.0
69.07066	6.4
70.32774	4.0
78.61897	1.0
79.05490	2.2
81.03411	4.2
81.07046	2.0
85.02898	38.3
91.03980	1.0
91.05469	3.6
95.04978	1.0
97.02912	4.8
97.06528	19.7
98.95042	0.9
99.04462	2.3
102.55451	1.0
103.04013	1.3
109.02911	1.4
109.06615	0.9
119.04914	2.4
123.04458	1.7
127.03909	13.4
135.04382	1.1
137.05968	28.6
145.04936	8.9
149.05965	1.1
159.63539	1.1
162.07616	1.5
163.05980	2.0
165.05515	3.1
173.05943	2.1
179.06990	1.0
180.08702	2.5
187.11093	1.0
189.09065	1.7
191.07022	19.6
207.10202	3.1
208.40578	1.1
215.10641	5.7
233.11711	100.0
234.12120	3.3
241.10703	4.1
251.12750	13.9
327.77383	1.0
359.14960	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01862	2.8
57.03420	3.7
61.02927	5.3
69.03132	0.8
69.03432	9.3
69.07073	8.7
69.58659	5.0
69.59081	1.8
71.04980	1.1
73.02904	1.8
79.05489	2.4
81.03420	4.5
81.07061	0.9
85.02901	48.9
87.00803	1.2
90.07185	0.9
91.05444	3.6
93.93648	0.8
95.04986	0.9
97.02888	4.8
97.06535	8.4
99.04453	3.1
103.03928	1.8
109.02866	3.0
117.06971	0.9
119.04948	2.6
123.04417	2.8
127.03917	17.0
131.08511	1.1
135.04420	1.0
137.05971	21.6
145.04935	9.7
149.05928	1.0
153.05449	1.6
158.07112	1.1
159.02831	0.9
159.08086	1.1
160.05179	1.5
162.07611	1.1
163.03902	1.1
163.06001	1.5
165.05542	5.1
173.04529	1.0
173.06038	2.6
180.08687	2.6
181.04890	1.0
186.06790	1.3
191.07011	27.9
205.08537	1.0
215.10681	6.3
233.11722	100.0
234.12044	2.0
241.10699	6.9
251.12759	4.1
324.79431	0.9
359.14706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05497	3.3
57.03438	5.4
57.07072	1.7
65.03912	0.8
67.05505	10.6
69.03436	0.8
69.07056	3.4
71.07400	0.7
71.31572	0.7
71.64614	1.6
79.05492	10.7
81.03391	1.5
81.07051	11.4
83.04962	0.9
83.08612	2.0
85.06532	1.1
86.09721	3.8
87.81643	0.7
91.05449	5.4
93.07047	13.8
95.04948	1.8
95.08609	9.9
98.98465	1.5
99.08124	0.8
105.07032	6.0
107.08591	8.1
109.10178	4.4
113.00016	100.0
117.07022	2.3
119.08583	3.5
121.10133	7.5
123.11707	2.2
125.00029	2.8
131.01086	1.0
131.08553	5.6
133.06508	0.9
133.10132	2.9
135.11664	5.5
136.06200	1.4
137.13245	0.9
145.10121	5.1
147.11688	3.1
149.09579	1.3
149.13255	3.7
152.05669	0.9
154.02594	0.9
155.00999	0.9
157.10179	0.9
159.11702	3.7
161.13245	2.3
162.07748	2.8
163.03920	1.4
163.14822	4.8
169.02608	93.8
170.02980	1.4
173.13284	1.9
175.11253	0.8
184.07301	7.0
187.03877	0.8
187.14827	1.8
189.05576	0.8
193.04913	1.1
193.12331	0.7
233.22682	0.9
239.84120	0.8
243.21056	7.2
261.22156	21.0
261.24811	1.2
262.22678	1.2
275.23831	1.1
359.02875	0.9
429.13519	1.1
429.18863	6.7
429.23654	1.0
429.88956	0.8
430.19565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05511	4.1
57.07073	21.4
57.45435	0.7
58.88602	0.7
67.05237	0.5
67.05502	5.9
67.85268	0.6
69.07064	4.2
71.08631	15.0
71.59514	0.8
71.59851	1.0
79.05506	3.0
81.07047	8.9
83.04976	1.0
83.08629	3.5
85.10170	5.6
88.86688	0.6
91.05477	3.3
93.07030	2.5
95.08611	8.2
95.67752	0.7
97.10155	1.6
105.07036	3.3
107.08582	7.5
109.06560	1.2
109.10149	8.3
111.04431	1.5
111.11706	0.7
117.07017	1.2
119.08569	4.7
121.06557	0.8
121.10121	4.7
122.07285	1.1
123.08047	1.1
123.11707	1.5
125.06008	0.9
131.08542	3.9
133.10114	1.8
135.08038	6.7
135.11685	2.8
137.06039	0.9
137.09619	14.1
139.07521	2.7
144.09286	1.0
145.10104	3.4
147.11703	1.0
149.09616	16.2
149.13214	0.8
149.36429	0.7
151.07542	1.8
157.10071	0.9
158.10922	0.7
159.08009	1.2
159.11713	4.0
160.08894	0.6
161.05951	0.6
161.09633	1.4
162.06728	1.0
163.07480	1.0
163.11174	19.1
165.09106	100.0
166.09421	2.5
170.23872	0.7
173.09633	3.3
173.13263	1.9
175.07593	0.7
175.11159	5.5
176.08315	1.8
177.09090	13.4
177.12718	2.8
178.09427	0.7
179.10652	2.0
185.09711	0.8
186.10417	1.6
187.11186	3.0
187.14786	0.9
189.09044	1.3
189.12700	1.7
190.09860	1.7
191.10667	10.5
193.12236	0.9
200.12053	0.8
201.12834	3.1
203.10678	2.8
203.14195	0.8
204.11496	0.9
205.12224	10.1
205.13962	1.1
215.14343	1.1
219.13806	4.0
229.15663	0.7
233.15367	2.1
247.16937	1.9
261.18469	1.1
275.20013	1.7
289.21466	1.4
303.23254	1.6
317.24902	0.8
331.26227	1.0
337.37677	0.6
359.29199	0.6
401.34311	1.6
411.35822	1.6
429.37265	26.8
430.37546	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	HMDB12168
Peak:m/z	Relative Intensity
55.05505	12.2
55.22300	3.2
57.07087	20.0
65.59601	3.6
67.05511	15.5
69.07066	30.1
71.08636	16.5
71.66168	3.4
72.02561	2.9
79.05484	10.2
81.07047	41.8
83.04962	4.4
83.08613	14.7
85.10174	8.6
91.05470	11.0
93.07051	23.9
95.08597	49.8
97.06530	4.9
97.10169	14.6
105.07018	23.6
107.08583	21.6
109.06529	3.2
109.10160	19.9
111.11721	9.2
113.36675	3.6
117.07041	6.5
119.08571	11.3
121.06485	10.6
121.10135	12.0
123.08070	5.4
123.11696	9.4
129.06973	5.7
131.08565	13.9
133.10114	14.1
135.08081	6.0
135.11708	10.6
136.80251	3.6
137.09587	6.2
143.08536	5.4
145.10110	12.4
147.07964	3.1
147.11705	14.1
149.09596	10.8
149.13249	8.1
155.08536	5.5
157.10098	15.7
159.11700	13.7
161.09666	6.2
161.13263	7.4
163.11206	10.9
165.09131	29.7
166.09349	3.9
171.11656	9.6
173.09703	3.7
173.13232	6.5
175.11217	21.8
185.13353	4.9
189.12819	4.8
197.13191	3.1
198.00728	4.0
211.14732	3.9
229.15775	5.3
231.17685	5.1
233.15337	4.1
253.19406	4.8
393.35236	8.0
405.92264	3.3
411.36227	26.2
429.32047	3.3
429.37271	100.0
430.37625	8.9
444.51660	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26729	1.5
53.03944	9.0
54.16282	1.4
55.01865	6.2
55.05507	16.3
57.03176	1.7
57.03439	17.7
59.15447	1.4
61.02918	2.4
67.05504	23.0
69.03073	2.0
69.03431	33.5
69.07062	5.1
69.60013	11.2
70.06599	1.9
71.01353	2.1
71.04986	10.8
72.08174	2.8
73.02915	4.6
79.05495	20.7
81.03417	90.6
81.07051	29.6
83.04982	22.4
83.08619	22.1
85.02904	32.6
85.06537	2.2
86.09707	6.0
87.04452	1.9
91.05465	26.5
93.07040	15.6
95.04967	26.0
95.08611	10.5
97.02896	52.7
97.03510	3.3
97.06532	9.8
97.10171	4.5
98.21436	3.4
99.04439	8.2
99.08069	2.5
101.02394	3.1
103.03943	3.1
105.07029	21.8
107.04967	6.5
107.08603	9.8
109.02880	16.1
109.06522	6.1
109.10152	6.4
111.04425	10.0
111.08081	11.8
113.06023	1.5
115.05482	1.7
116.06281	1.9
116.07066	1.8
117.07029	4.3
119.04978	2.4
119.08571	14.9
121.06504	4.0
121.10136	8.9
123.04479	2.6
123.08065	2.0
123.11688	2.2
125.09655	2.9
127.03914	16.9
127.07520	3.0
129.05518	4.6
129.06985	9.9
131.08582	8.7
133.06494	4.6
133.10150	8.0
135.08058	3.3
135.11674	3.3
137.06020	6.3
137.09596	7.4
143.08522	2.0
145.10126	3.4
147.04417	2.7
147.08092	2.8
147.11684	19.9
149.05963	2.0
149.09639	6.5
155.08572	1.8
157.10115	13.4
159.11765	1.6
163.11234	4.4
165.05460	1.7
165.09094	3.3
165.12753	7.8
167.06964	1.6
173.09573	1.6
175.07550	2.4
175.11180	15.3
177.09206	1.5
181.04909	1.6
181.12244	3.0
183.06572	6.5
187.11172	1.9
189.09132	6.2
191.07066	1.8
191.10652	3.5
193.12253	59.6
201.07523	2.5
207.10172	9.8
211.13286	100.0
212.13605	3.6
217.12314	3.1
227.12769	3.7
229.14479	5.6
233.11723	18.8
235.13261	4.6
249.14893	6.2
251.12868	8.0
259.05743	1.5
259.13272	1.8
260.19577	1.6
265.14355	2.3
267.16040	6.0
273.14963	3.2
279.12253	3.7
285.16986	24.2
297.13861	1.9
301.14343	3.3
309.17334	1.6
313.16479	2.4
337.16434	3.7
355.17596	5.1
375.18182	2.6
393.19147	2.2
411.20294	6.7
429.21332	58.8
430.21774	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	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03770	1.2
50.55288	1.2
53.03949	8.7
55.01863	5.9
55.05501	14.3
55.05739	1.4
55.61218	1.1
56.58127	1.3
57.03431	16.6
58.51260	1.2
61.02923	2.1
67.05498	14.8
69.03423	40.0
69.07075	5.4
69.89975	5.8
71.04998	7.8
73.02925	2.0
79.05486	15.3
81.03409	87.1
81.07048	19.8
83.01337	1.9
83.04970	22.4
83.08607	18.8
85.02896	27.9
85.03352	2.1
85.06562	1.6
91.05456	16.9
93.07034	9.7
95.04956	20.1
95.05537	1.3
95.08604	7.1
97.02882	53.4
97.03488	2.7
97.06562	3.5
97.10178	3.0
98.21386	2.3
99.04439	8.6
103.03929	1.3
105.07021	16.3
107.05007	4.1
107.08593	6.1
109.02873	14.1
109.06547	3.6
109.10214	3.3
111.04433	8.3
111.08074	9.9
115.68578	1.1
117.07032	2.8
117.94489	1.2
119.08576	11.7
121.06528	1.3
121.10184	5.5
125.09680	1.8
127.03909	13.7
127.04611	1.2
129.05481	7.1
129.06976	8.2
131.08575	7.4
133.06514	2.3
133.10172	5.5
135.08145	1.9
135.11736	1.8
137.09642	2.1
142.07718	1.4
143.08638	1.5
147.08087	2.4
147.11678	13.4
149.09718	3.9
153.12769	2.1
157.10117	11.2
159.11700	1.5
163.03926	3.4
163.11261	3.3
165.12770	4.0
171.11717	1.5
175.11145	13.3
191.10765	2.7
193.12227	56.5
211.13264	100.0
212.13664	3.4
213.05504	1.5
227.11011	1.3
227.12915	5.7
229.14458	3.2
249.14827	6.7
265.14600	1.8
267.16187	2.1
285.16998	8.1
319.15567	1.3
337.16708	3.0
355.17358	6.5
429.21304	58.1
429.32138	10.0
430.21588	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	429.2117
Annotation	Lactuside B
Peak:m/z	Relative Intensity
55.01878	2.7
56.96552	2.5
61.02902	4.1
67.05507	2.1
69.03415	6.6
69.07085	2.1
69.82689	11.2
70.06582	4.4
71.04971	3.7
72.10268	2.2
73.04749	6.5
79.05489	3.3
81.07034	6.9
84.59761	2.0
85.02902	10.6
86.09711	2.8
91.05833	27.8
93.07016	4.8
95.04976	2.3
95.08592	5.0
97.02890	6.1
98.20801	3.0
98.98469	2.3
99.19991	1.9
105.07021	11.8
107.08584	3.5
109.02837	4.0
115.05438	2.3
117.06989	6.8
119.08585	9.3
127.03902	2.3
129.06914	1.9
131.08531	9.5
133.10121	2.9
143.08528	6.7
145.06487	2.1
145.10062	4.4
147.08034	2.7
147.11737	2.8
154.49637	2.2
155.08511	3.2
157.10110	10.1
159.08104	3.9
159.11702	16.5
163.03828	3.0
167.05600	10.2
171.08011	2.9
171.11794	3.4
173.09592	2.4
175.11151	3.1
183.11647	3.9
185.13283	4.6
195.11717	3.4
198.10347	2.2
201.12688	3.5
203.14323	3.4
205.12279	2.1
213.12778	6.9
219.13803	2.6
223.13310	7.9
231.13783	22.1
249.14851	100.0
250.15205	3.0
251.16533	2.9
267.15967	16.3
342.99960	2.0
359.02817	12.0
387.06030	3.8
411.20120	2.6
429.21204	27.5
453.26822	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	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01865	5.6
55.05504	16.5
57.03432	15.4
58.06569	1.4
59.04973	1.3
61.02916	1.6
65.03921	1.3
67.05503	17.9
69.03426	34.5
69.07059	5.8
69.62805	9.9
70.06574	2.1
71.01344	2.4
71.04987	7.3
73.02917	3.4
79.05483	17.7
79.05903	1.9
81.03413	100.0
81.07052	23.8
83.04974	19.9
83.08618	20.5
85.02899	25.3
85.03363	2.2
86.09716	2.1
87.04457	1.8
90.33544	1.2
91.05472	23.6
93.07037	11.6
95.04962	25.1
95.08624	7.6
97.02886	54.5
97.06532	5.5
97.10168	3.2
98.78893	1.2
99.04437	6.4
101.02365	2.1
103.03942	2.0
105.07029	12.9
107.04931	8.5
107.08580	6.5
109.02867	16.7
109.06499	4.2
109.10138	2.3
111.04427	8.5
111.08067	10.3
113.05976	1.4
117.07024	3.1
119.08572	17.2
120.44799	1.4
121.06497	2.7
121.10126	7.0
123.04456	2.5
123.08038	3.4
123.11671	2.0
125.05975	1.4
125.09621	2.7
127.03888	17.8
128.06206	1.7
129.05470	4.2
129.07004	8.0
131.08551	11.0
133.06509	3.4
133.10112	9.7
135.08018	1.8
135.11696	1.7
137.05978	4.0
137.09622	1.6
142.07750	2.0
145.10162	4.6
147.08026	2.3
147.11673	16.7
149.09653	5.8
153.12695	1.4
157.06612	1.6
157.10118	12.4
163.11162	4.7
165.12796	3.9
169.10173	1.3
173.09558	1.3
175.11151	13.2
181.12256	4.1
183.06546	2.9
189.09122	2.1
189.12677	2.4
191.10669	3.7
193.10397	2.5
193.12228	57.8
207.10220	3.4
211.13280	90.2
212.13676	1.5
217.12263	1.4
224.62546	1.3
227.12804	3.6
229.14456	3.5
231.13997	1.4
235.13179	1.7
249.14836	6.1
267.15912	6.1
273.14825	2.6
285.16940	20.3
301.14380	2.9
313.16714	1.7
337.16498	2.8
355.17636	5.0
411.20154	2.9
429.21194	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01236	0.8
53.03939	3.0
55.01866	3.5
55.05511	6.0
57.03425	2.8
57.07067	9.0
61.02916	2.8
61.56834	0.7
61.99248	0.8
67.05499	0.9
68.99814	0.8
69.03434	12.6
69.36702	1.7
69.37114	6.8
71.04987	2.0
73.02907	2.2
79.05488	1.0
81.03415	11.6
83.04977	1.2
83.08630	1.9
85.02902	29.8
87.00832	11.2
87.04453	1.0
89.06028	25.6
91.03934	1.1
91.05479	1.2
97.02883	11.6
97.06529	0.8
98.20703	1.4
99.04465	5.4
101.09656	12.2
105.01875	8.3
105.07046	1.5
105.14426	0.8
107.07066	26.4
109.02876	11.2
117.01860	1.1
117.06966	1.4
119.08572	1.1
123.04414	0.9
127.03921	21.2
129.01839	2.2
142.07683	0.8
143.08513	1.1
145.04947	9.2
145.10161	0.9
147.02893	1.2
159.02878	6.2
163.13292	100.0
164.13675	1.8
171.11740	0.8
185.13300	1.1
203.10594	1.1
213.03920	1.2
227.79446	0.9
231.05023	3.8
231.10187	7.7
235.13220	1.2
249.11418	0.9
279.10391	3.7
382.16754	1.1
411.14404	1.2
428.17429	1.7
429.21237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.9
55.05508	6.0
56.30021	3.1
57.03416	6.1
58.06592	9.0
65.18250	2.9
66.70618	2.7
67.05508	17.2
69.03426	15.4
70.06580	13.3
70.92954	7.3
70.93321	5.3
71.04969	5.7
72.08134	4.7
79.05486	18.4
81.03428	4.8
81.07047	12.4
82.06582	6.5
83.04962	5.6
84.08128	5.6
85.02907	21.1
85.06535	8.6
86.09701	8.6
86.62772	2.8
91.05443	27.9
93.07058	16.8
95.04976	20.0
95.08615	14.7
96.08141	3.6
97.02906	9.5
97.06535	5.2
97.08901	5.5
98.09701	9.6
98.19543	3.6
99.04449	6.6
105.07022	30.4
107.04948	5.3
107.08610	14.5
108.08079	4.6
109.02888	7.0
109.06525	12.7
109.10197	3.5
110.06084	4.3
113.05939	5.7
115.05428	4.0
117.07021	10.3
119.08571	20.2
121.06489	8.0
121.10144	4.5
122.06064	5.8
122.09556	3.9
123.04428	6.2
123.08046	4.9
125.05929	3.4
125.09650	3.7
127.03931	8.1
128.06207	16.8
129.06978	9.3
131.08563	29.5
133.10089	15.2
135.04430	5.1
135.08035	11.6
137.06032	6.7
138.05518	12.6
141.06979	7.2
142.07751	6.2
143.08548	44.1
145.06462	7.8
145.10118	15.8
147.08063	10.3
147.11678	6.4
149.05971	4.4
149.09622	6.2
151.03886	41.6
151.06329	3.8
151.11192	3.9
152.07036	4.1
153.07007	7.6
155.08582	9.8
157.10150	7.0
159.08034	29.6
159.11676	12.7
161.09627	17.8
163.07590	4.2
163.11195	3.4
167.08516	3.6
167.10680	5.0
168.09354	12.1
169.07343	12.8
169.10094	5.1
170.06036	3.0
171.08057	11.4
173.13239	7.5
174.12735	8.5
175.07503	3.1
175.11182	5.6
176.10719	9.1
177.09177	3.3
179.03426	8.5
180.03517	4.8
180.04898	8.6
180.13799	3.2
183.11699	18.4
185.09599	6.0
187.11200	9.3
189.09055	11.6
192.10194	8.1
201.12665	15.0
202.12280	14.2
203.12816	3.7
204.10193	6.5
207.10213	4.4
211.11061	4.7
219.13814	9.9
220.13377	15.5
223.06125	4.7
229.12254	16.6
247.13333	15.2
248.12830	100.0
248.16440	6.8
266.08997	12.1
266.13831	89.3
266.16583	7.0
274.07410	7.9
307.15274	16.2
329.83612	3.3
332.70688	3.1
350.14102	9.4
410.18021	4.6
428.18808	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84250	1.6
53.24954	1.5
53.54439	1.7
55.01863	4.1
55.05509	4.8
58.60482	1.6
58.99574	3.8
59.31971	1.6
67.05491	3.1
69.45122	16.1
70.02964	4.1
70.06538	1.9
71.04996	4.1
74.00677	2.1
74.08085	1.7
74.37279	1.5
76.02229	4.2
79.05498	5.7
81.07063	7.1
83.05005	2.4
85.06543	5.4
88.02210	9.5
88.03989	52.8
91.05479	11.6
93.07040	9.8
95.04955	2.7
95.08631	4.2
97.01109	3.0
97.06531	2.6
105.07024	37.6
105.07742	2.0
107.08585	6.3
115.05446	3.2
116.06175	1.7
117.07013	9.6
119.08573	10.7
121.06480	3.2
122.02733	5.6
128.06195	12.0
129.06996	14.7
130.03233	3.8
130.07826	2.1
131.08565	30.8
133.10133	8.1
139.23701	1.9
141.07024	8.0
142.07768	19.6
143.08557	35.7
144.09335	4.8
145.06471	4.8
145.10100	21.9
147.08006	3.0
147.11670	5.2
149.04198	2.2
151.11278	1.9
153.07030	4.7
155.08559	12.3
156.09340	4.8
157.10110	44.9
158.10883	2.4
159.08081	8.5
159.11693	18.4
161.04225	13.8
161.06003	1.7
161.09662	2.1
161.13283	2.1
163.05766	3.6
167.08459	2.3
168.09334	21.3
169.10133	6.1
170.10887	4.2
171.11717	5.9
173.04213	2.3
173.05917	2.9
173.09628	3.8
173.13255	11.9
175.05840	2.2
175.11174	24.4
175.14845	2.9
181.10109	4.4
182.10968	3.0
183.11691	51.1
185.04114	2.0
185.13246	100.0
186.04973	2.3
187.05847	2.0
187.07504	4.3
187.11153	10.2
196.08897	1.8
199.11140	4.3
200.06549	5.1
201.12766	24.8
203.14340	9.0
205.10455	2.1
207.08450	1.9
211.11183	7.4
215.08922	17.4
217.10422	3.4
217.12257	7.3
222.59966	1.7
229.12238	63.8
233.09943	5.6
235.11430	2.6
247.13330	7.7
251.10992	3.7
261.09531	8.3
263.10999	6.7
279.10480	8.2
287.10828	1.7
304.13821	4.5
307.68219	2.3
322.14679	2.1
329.08243	1.7
350.14212	4.5
368.15256	5.1
382.16867	2.1
410.16345	2.2
411.14917	2.2
428.17267	5.5
441.00198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.5
55.05492	4.8
58.99574	1.8
67.05492	2.4
69.03436	1.8
69.07051	2.8
70.02942	4.1
70.54384	4.6
71.04983	2.6
74.00649	2.5
76.02216	4.4
76.22483	1.5
79.05490	5.5
81.07058	8.9
84.04484	2.5
85.06538	2.9
86.99012	2.0
88.02213	9.5
88.03986	61.5
91.05476	14.7
93.07024	8.9
95.04971	2.7
95.08587	2.1
95.87734	1.5
97.01115	4.1
98.20815	2.2
100.97791	1.9
103.05502	2.7
105.07029	31.4
107.07964	1.7
107.08573	8.9
108.87383	1.6
115.05455	3.2
117.07038	9.0
119.08580	11.9
122.02747	7.9
128.06215	11.7
129.07001	19.4
131.08565	27.0
132.01163	2.7
133.10123	6.5
134.02707	3.1
141.06985	6.9
142.07777	18.9
143.08560	35.6
144.09322	6.4
145.06496	6.0
145.10120	20.8
147.08031	3.6
147.11653	7.6
149.04243	2.8
153.07004	4.2
154.07796	2.3
155.08566	10.8
156.09303	5.0
157.10110	38.4
158.10852	1.9
159.08098	5.8
159.11697	16.4
161.04187	10.4
162.92415	1.5
163.05750	4.2
167.08412	1.7
168.09344	18.6
169.10107	6.4
170.10956	6.0
171.11705	5.9
173.04384	2.0
173.05994	5.3
173.09668	2.3
173.13246	12.3
175.05759	3.4
175.07678	1.4
175.11159	20.0
175.14690	1.7
181.10112	2.6
182.10870	2.7
183.11690	42.0
184.12462	2.1
185.13254	100.0
186.13550	3.0
187.07533	4.9
187.11160	6.9
189.07300	3.0
193.10135	1.7
199.11157	6.2
200.06505	3.7
201.12727	26.8
203.14290	7.2
211.11140	7.4
215.08916	11.4
217.10352	2.6
217.12230	5.9
227.07437	1.8
229.12227	80.7
230.12563	3.0
233.10019	2.8
235.07780	1.7
235.11505	6.2
247.13412	9.7
251.11006	2.6
261.09442	5.4
263.11026	6.1
271.38501	1.5
279.10501	10.3
297.11606	4.0
304.13507	4.2
322.14621	4.2
339.12537	3.1
350.14090	5.0
368.15347	8.3
382.16727	2.9
410.16678	2.3
428.17178	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	427.3933
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03949	1.5
55.05503	19.1
56.01072	1.5
57.07070	10.8
58.77798	1.6
67.05499	29.9
69.07063	57.7
70.45918	7.4
71.08636	4.1
79.05493	15.0
81.07052	100.0
82.07391	2.8
83.08620	23.2
85.06530	2.3
87.08096	2.9
91.04967	1.4
91.05471	8.9
93.07037	32.4
95.08601	93.6
96.08926	2.1
97.10148	15.4
105.07030	20.6
107.08582	45.3
109.06533	1.8
109.10149	72.3
111.11730	7.6
117.07004	2.3
119.08575	24.3
120.08888	1.7
121.10133	39.1
123.11705	43.7
123.12573	3.3
125.13265	3.8
131.08556	3.2
133.10120	18.3
135.11684	27.5
137.13243	26.4
145.10127	7.8
147.11678	17.5
149.13249	21.9
151.11200	2.0
151.14810	6.3
159.11642	9.2
161.13248	14.9
162.13614	1.7
163.14781	17.2
165.16339	2.1
173.13258	5.9
175.14845	9.7
177.16385	9.6
179.14302	3.2
179.17947	2.6
187.14844	4.7
189.16310	10.1
191.17902	8.9
193.15982	4.0
201.16408	3.8
203.17987	7.9
205.19531	6.9
206.66689	1.7
215.18060	5.5
217.19560	7.0
221.19063	3.4
229.19443	2.5
231.21068	2.5
233.22546	2.0
235.20589	3.6
243.21237	2.6
247.20547	1.8
249.22238	1.9
257.22647	4.7
259.24222	3.7
271.24265	2.5
285.25821	2.2
303.26859	1.9
327.30798	2.1
336.96191	1.9
345.31183	2.0
377.82175	1.7
409.38245	11.2
427.39386	57.1
428.39517	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.5
57.07077	5.3
66.02896	0.9
67.05494	5.6
69.07062	28.2
71.08635	2.4
71.65752	1.6
79.05484	2.1
81.07055	7.1
82.62843	0.9
83.08621	9.2
85.10178	1.6
90.53196	0.9
91.05495	1.7
93.07043	4.0
95.04971	0.8
95.08599	6.0
97.10179	5.2
105.07032	2.6
107.08585	3.8
109.10153	6.7
111.11708	2.9
114.61433	0.9
119.08587	3.7
120.11678	0.8
121.10149	3.2
122.07270	1.3
123.11716	3.0
125.13284	1.5
131.08554	1.7
133.10126	2.0
135.08061	3.8
135.11659	1.9
137.09593	9.7
137.13231	1.2
139.07520	1.1
144.09271	1.0
145.10120	3.4
149.09616	9.7
151.07568	1.5
155.08421	0.9
158.07434	0.9
159.11700	2.6
161.09573	1.1
163.07568	1.3
163.11171	6.9
165.09105	100.0
166.09480	2.5
171.11496	0.9
172.34415	0.8
173.09659	1.5
174.10472	1.1
175.11198	3.0
177.09096	7.0
177.12808	1.2
179.10674	2.5
187.11238	1.2
189.09068	4.2
189.12695	1.1
190.09850	1.5
191.10669	8.4
199.11206	1.1
201.12654	1.9
203.10655	7.1
203.14331	2.1
205.12198	9.6
209.13173	0.9
217.12225	1.1
219.13861	3.2
231.13719	2.5
241.38792	0.8
280.35217	0.9
289.21735	1.1
404.89352	0.9
412.33224	1.0
427.35657	9.4
428.82584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77712	1.9
53.03957	2.5
55.05510	7.8
56.12791	2.0
57.07072	3.4
65.23264	2.3
65.36137	2.0
67.05493	17.4
67.57686	1.9
69.07071	31.9
70.89797	6.5
72.23175	2.2
79.05500	15.8
79.25618	2.2
81.03416	4.6
81.07055	38.8
83.08613	7.5
91.05479	19.8
93.07043	29.1
95.08609	31.9
95.94081	2.2
97.10182	2.9
105.07033	31.3
107.08599	19.3
109.10150	17.6
113.26097	2.1
117.07006	16.5
119.08583	21.3
121.10153	16.0
123.11703	10.5
129.07036	12.4
131.08551	17.8
133.10138	20.8
135.11703	11.5
139.07559	6.1
141.06978	5.6
141.44830	2.3
142.07751	2.9
143.08565	15.5
145.10127	23.1
147.11665	12.1
149.13252	4.0
152.59486	2.0
155.08498	11.6
157.10132	21.2
159.11691	45.1
161.13297	19.9
163.14850	2.9
164.02545	2.4
166.61406	2.6
167.08511	4.7
169.10158	17.3
171.11713	15.3
173.13251	15.8
175.14876	4.1
179.08615	2.3
181.10127	8.3
183.11694	18.0
185.13235	19.4
187.14818	8.2
189.16341	3.6
195.11674	10.1
196.12390	2.9
197.13283	13.9
199.14789	16.5
201.16402	3.7
203.17914	2.4
205.12099	2.5
209.13196	21.8
211.14850	18.2
213.16302	16.2
215.18008	2.7
223.14841	14.9
225.16425	15.5
226.17163	2.8
227.17952	11.4
228.74918	2.2
231.13823	3.4
237.16371	8.4
239.18013	15.7
241.19637	4.8
251.17990	16.1
253.19507	10.9
254.20270	8.0
255.15991	3.6
255.21149	5.3
260.18686	2.4
265.19516	20.7
267.21075	14.2
279.21173	8.8
281.22552	5.6
285.18314	3.0
293.22760	3.4
297.18661	3.2
299.20029	4.8
307.02557	2.4
311.20114	3.4
321.25778	100.0
322.26096	4.6
323.27310	11.0
324.32544	3.0
339.26840	16.5
349.25275	5.6
367.26303	66.2
381.27884	20.6
385.27249	2.6
405.81540	2.6
412.08063	2.8
427.19479	4.5
427.28452	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.7
55.05507	17.9
57.07058	5.7
61.48681	4.4
67.05503	27.2
69.07066	98.5
70.05379	17.8
79.05496	26.2
81.07052	63.6
83.08606	9.6
91.05486	29.4
92.37730	4.2
93.07034	80.8
95.04996	5.4
95.08600	73.9
97.10130	6.0
98.20814	4.4
105.07030	87.6
107.08594	46.5
109.06500	4.8
109.10178	21.1
115.05332	5.6
117.07011	17.4
119.08563	58.2
121.10130	39.1
123.11671	10.3
128.06166	6.2
129.06990	13.3
130.07797	4.4
131.08565	36.7
133.10100	38.0
135.11659	21.4
139.07516	23.4
141.06964	5.7
142.07805	9.6
143.08548	28.2
144.09348	10.0
145.10138	44.7
147.11691	27.6
148.07712	5.1
149.05937	4.5
149.13257	11.1
151.07454	4.0
155.08546	21.9
156.09381	9.8
157.10123	52.7
159.11688	100.0
160.12265	5.3
161.13222	58.7
163.14774	12.6
169.10104	25.7
171.11667	32.2
171.12920	4.8
172.12244	5.3
173.13228	21.6
175.14821	15.6
181.10124	6.2
183.11682	21.1
185.13268	26.2
187.14844	19.5
189.12624	6.7
189.16411	5.9
195.11726	12.9
196.12463	5.2
197.13268	27.9
199.14827	27.5
200.15288	5.3
201.16400	6.3
205.12108	5.2
207.13770	4.4
209.13261	9.0
211.14752	25.0
212.15535	4.1
213.16360	18.1
215.17920	7.3
223.14784	10.8
225.16423	14.6
227.18019	9.0
229.12154	6.2
231.13956	6.5
237.16342	9.7
239.17958	23.9
241.19431	5.0
243.13843	8.1
243.21091	19.2
251.18004	11.8
253.19580	25.7
254.20242	48.7
255.20963	10.3
265.19479	16.2
267.21140	11.8
279.21008	6.7
281.22568	8.4
299.20041	17.3
321.25766	22.5
323.27304	18.6
339.26611	5.1
367.26447	26.8
383.45517	4.7
388.02350	5.4
427.28250	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.0
57.07072	11.8
62.85868	5.8
67.05501	38.0
69.07066	48.3
71.09540	17.1
76.80491	6.5
79.05488	22.7
81.03387	8.4
81.07059	56.4
83.04905	6.8
83.08611	6.4
91.05486	30.9
93.07030	59.8
95.08614	47.3
105.07024	66.1
107.08609	52.3
109.10161	56.5
117.07008	20.2
119.08583	52.5
121.10139	57.2
123.11735	13.9
128.06207	6.3
129.07019	17.1
131.08574	43.3
133.06462	9.0
133.10132	28.3
135.11717	15.9
142.07727	12.0
143.08565	25.0
143.79355	7.8
144.09364	9.8
145.10150	39.8
147.11688	25.5
149.13213	9.0
155.08539	15.5
157.10149	35.4
159.11687	100.0
161.13248	47.9
163.14819	9.0
167.71884	6.9
169.10124	23.3
171.11693	24.6
173.13271	23.1
175.14845	10.8
179.14369	12.7
183.11719	16.9
185.13258	20.1
187.14867	16.2
191.10536	7.5
195.11674	15.3
197.13266	20.6
199.14879	18.7
207.13873	8.8
209.13303	15.8
211.14774	15.1
213.16411	14.0
217.84505	7.0
223.14760	15.5
225.16292	11.1
227.17845	9.3
237.16518	13.2
239.17986	10.7
241.19620	6.4
251.18022	15.6
253.19522	17.1
257.15057	6.5
265.19452	22.4
267.21063	14.9
281.83966	6.7
287.34729	7.7
299.20108	13.6
311.20013	11.9
321.25781	71.6
322.26062	8.4
323.27231	19.5
339.26886	27.8
349.25406	13.1
367.26373	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.7
67.05498	26.3
69.07062	53.5
71.64610	9.5
79.05487	22.1
81.03405	8.9
81.07060	70.8
81.09362	7.3
83.08635	17.2
90.38985	6.5
91.05489	45.4
93.07039	74.9
95.04973	7.0
95.08592	60.2
105.07031	100.0
107.08595	65.8
109.10178	19.4
117.07050	24.3
119.08586	68.4
121.10197	32.1
121.29940	6.9
123.11717	8.6
125.06020	10.2
129.07004	11.5
131.08586	29.2
133.10094	39.9
135.11679	18.0
137.05998	12.5
139.07559	28.4
142.07835	10.9
143.08560	20.2
144.09309	8.8
145.10165	36.2
147.11700	18.3
149.13216	8.5
151.07547	10.3
155.08542	14.9
157.10144	38.7
159.11687	95.7
161.13248	68.8
163.14822	14.5
169.10098	11.4
171.11728	21.0
173.13266	22.7
183.11650	13.9
185.13275	28.1
187.14891	9.5
197.13268	28.7
199.14859	16.2
201.16515	11.6
205.12262	17.7
207.13840	11.6
209.13284	14.7
211.14790	12.9
213.16418	9.8
223.14886	10.9
225.16335	7.5
231.13779	11.8
253.19556	19.5
254.20168	10.5
265.19470	14.6
267.21185	7.4
299.20029	41.8
311.20010	17.5
321.25790	29.0
323.27121	8.9
367.26208	34.1
427.24472	27.7
427.29590	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	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62391	0.4
71.62780	0.6
82.39905	0.5
104.80930	0.5
121.20914	0.5
150.52855	0.4
176.04526	0.6
185.13356	0.5
186.06598	0.6
201.05219	9.2
205.04756	0.8
213.08916	3.1
216.07574	100.0
217.08307	8.4
233.07834	4.5
234.08687	1.0
257.10309	2.2
343.18600	0.5
367.77664	0.5
379.15021	1.4
396.15326	1.5
397.16183	0.8
427.17270	82.2
428.17761	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	427.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.4
55.01873	14.3
55.05515	17.8
57.03428	17.1
57.07060	2.6
59.05006	3.5
65.03944	2.9
67.05502	27.5
69.03426	44.2
69.07063	20.4
69.15250	3.0
69.42789	16.4
69.43201	10.1
71.04984	17.1
73.02904	3.9
79.05492	30.5
81.03418	90.2
81.07058	35.6
82.44587	2.6
83.01328	3.8
83.04980	26.4
83.08607	10.6
85.02895	16.9
91.05463	14.8
93.07040	46.9
95.04923	5.3
95.08606	21.9
96.82022	2.7
97.02882	41.4
97.06518	11.0
97.10212	4.7
99.04453	15.2
105.07027	25.2
107.04950	7.5
107.08582	30.9
109.02864	20.6
109.06491	5.1
109.10169	11.8
111.04443	17.4
111.08089	8.0
117.06998	10.5
119.08588	20.5
121.06462	3.2
121.10138	19.4
123.08100	3.2
125.06015	3.9
125.09637	4.3
125.11797	2.7
127.03914	26.2
129.07013	5.0
131.08582	9.5
133.10129	8.5
135.11700	30.3
139.07556	7.0
143.08513	6.7
145.10136	19.7
145.43225	3.0
147.08006	3.3
147.11684	7.1
149.13153	3.2
153.12750	26.7
155.08574	8.7
157.10152	6.0
159.11720	20.3
161.13254	14.6
163.11191	24.5
163.14729	3.3
171.11652	6.6
173.09615	7.9
173.13223	5.0
175.14885	3.2
178.32002	2.7
181.12233	23.4
182.12674	3.2
183.11678	4.5
185.13269	6.6
187.14781	4.0
189.11209	4.4
191.10684	12.0
197.13214	5.1
199.14856	5.3
209.11629	12.9
211.14902	3.6
223.14906	3.7
227.12755	41.9
227.17686	3.2
237.16179	3.8
239.17960	4.0
253.19353	3.9
254.20302	6.0
265.19443	3.7
283.15613	3.7
311.19910	3.0
321.25873	8.0
323.27252	3.7
353.16077	13.5
367.26532	7.6
427.19626	100.0
427.29175	5.5
428.19974	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
57.04549	0.5
69.03420	0.2
70.06581	0.9
70.38489	0.4
70.38885	0.3
72.08134	0.2
73.02889	0.3
81.03410	0.3
81.07027	0.2
83.41754	0.1
85.02898	0.5
86.09697	0.2
91.05476	0.2
93.07030	0.2
94.04053	1.3
94.48936	0.2
95.08637	0.2
97.02882	0.4
108.04380	0.2
114.83151	0.1
115.03908	0.2
117.85361	0.1
119.03597	0.1
123.06683	0.7
124.07616	0.2
131.08574	0.2
133.05048	0.2
134.15100	0.2
135.05383	0.4
138.05325	0.1
148.06166	0.3
150.07735	100.0
151.06168	0.2
151.08142	1.1
153.49548	0.2
163.03908	0.2
166.38550	0.2
176.05789	0.2
179.03363	1.2
203.12578	0.2
229.12245	0.2
247.09473	0.3
260.02045	0.2
265.12601	0.2
266.13870	0.2
282.11963	0.7
295.11472	21.4
296.11691	0.5
406.49448	0.2
427.19901	0.4
445.02747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.1
55.05511	26.8
60.12550	4.3
64.54597	4.7
65.03957	4.8
67.05511	31.2
69.07072	41.6
71.62942	4.9
77.31202	4.9
79.05494	33.8
81.07052	87.0
83.04979	56.9
83.08614	13.0
91.05473	45.5
93.07044	65.7
95.04984	10.9
95.08607	55.2
97.06509	11.3
99.08124	5.0
105.07030	100.0
107.08596	50.6
109.10173	39.6
117.07034	23.5
119.08582	79.1
121.10138	49.1
123.08048	7.6
123.11738	10.9
128.06239	14.1
129.07019	18.9
131.08577	46.9
133.10132	44.6
135.08015	5.4
135.11691	34.6
141.07002	11.8
141.90039	5.4
142.07800	15.3
143.08549	33.2
144.09389	13.7
145.06487	7.1
145.10118	34.5
147.08006	5.0
147.11678	30.2
149.05991	11.8
149.13281	7.3
153.06912	7.8
155.08572	28.0
156.09378	11.1
157.10117	43.0
157.52892	4.4
159.08011	7.1
159.11702	72.0
161.13275	80.0
165.06973	9.2
165.09128	6.8
166.07755	4.5
167.08582	15.8
169.10088	41.7
171.11690	29.3
173.09723	7.8
173.13301	19.2
175.11180	8.9
175.14751	7.1
179.08565	9.0
180.09393	9.0
181.10130	18.2
182.10779	7.3
183.08125	10.5
183.11688	31.9
185.09612	9.1
185.13274	14.6
187.11264	13.4
187.14838	15.3
189.12819	5.9
193.10107	14.3
194.10811	7.0
195.11693	33.9
196.12447	7.3
197.13245	32.8
199.14877	17.3
201.16373	12.5
205.12227	10.5
205.15979	5.4
206.10841	5.5
207.11723	18.0
209.13231	28.2
211.11230	10.3
211.14830	29.5
213.16422	9.2
218.76372	4.6
221.13260	15.9
223.14796	22.9
225.16441	8.6
229.12134	7.4
231.13843	5.4
233.13287	6.2
235.14896	13.2
237.12566	4.9
237.16466	13.7
241.12309	6.2
243.13857	10.2
249.16431	10.2
250.17114	4.8
251.18024	21.9
252.18710	5.0
253.15851	21.9
253.19553	14.1
255.13753	7.1
263.18011	23.0
265.19458	13.1
277.19583	10.5
281.18982	7.4
291.17712	5.6
291.20911	6.3
297.18353	7.6
309.18491	16.1
319.24109	25.3
321.25848	15.8
337.25351	13.1
347.23700	5.3
365.24762	38.0
407.33145	13.9
425.26117	11.0
425.34207	10.1
430.58521	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	425.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39057	10.1
55.05493	45.0
57.07045	12.0
57.86737	9.2
60.93668	9.0
66.05841	9.4
67.05500	81.5
69.03432	9.5
69.07064	82.8
69.58020	84.2
79.05482	39.4
81.06714	8.7
81.07064	88.8
82.06567	35.6
83.04971	28.9
83.08604	27.2
91.05470	47.1
93.07050	60.9
94.06577	29.6
95.04961	24.5
95.08613	54.2
97.06525	13.7
97.10187	17.0
105.07027	100.0
107.04911	13.3
107.08575	45.2
108.08126	11.4
109.06473	15.4
109.10172	48.6
109.11349	9.2
117.07004	26.0
119.08583	77.9
121.06497	16.9
121.10128	37.3
124.07533	12.4
125.06036	9.7
128.06270	10.1
129.06995	26.9
131.08563	37.9
133.10103	32.3
135.11685	19.1
136.07512	10.7
138.23308	9.8
141.07007	14.3
142.07660	12.2
142.08606	30.9
143.08536	38.3
144.09309	14.5
145.10101	43.2
149.05988	14.7
151.07487	12.7
154.08656	66.6
155.08519	38.6
156.09308	14.8
157.10139	49.6
159.11646	71.7
161.13297	30.5
163.11090	13.8
167.08566	22.5
169.10094	44.0
171.11650	13.2
173.13153	19.4
179.08498	21.3
181.10066	34.2
183.11664	42.0
185.13280	21.3
187.11227	15.8
193.10072	17.1
195.11624	40.0
196.12521	15.9
197.13257	42.0
199.14900	15.3
205.12154	24.3
207.11646	18.9
208.12305	13.5
209.13286	49.2
211.14844	26.7
221.13155	16.8
223.14842	23.8
225.16331	14.1
227.12648	10.0
235.14920	16.2
237.16348	23.7
239.17912	19.2
249.16290	18.0
251.17905	35.0
253.15555	13.5
253.19498	36.4
263.18213	15.5
265.19482	23.4
268.21237	12.5
279.20929	20.7
319.24258	40.5
321.25735	55.3
337.25452	11.9
365.24792	79.3
409.63882	10.4
425.26138	19.2
426.09833	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	425.1804
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
55.05499	8.0
67.05476	11.1
69.03427	10.0
69.07063	10.9
70.02942	10.7
70.06578	6.4
71.64315	10.9
76.02180	5.6
81.07057	16.2
82.16378	5.7
83.04967	22.4
85.06554	7.5
91.05486	16.8
93.07062	11.1
95.04994	9.6
95.08624	8.9
97.02901	7.5
97.06531	13.7
99.04437	9.2
105.07019	25.4
107.08575	10.0
109.02840	8.0
115.05422	7.4
116.01658	7.8
119.08551	19.7
120.09864	6.4
121.06538	10.5
121.10178	5.9
128.06230	12.1
129.06999	8.5
131.08560	19.0
135.08034	33.6
141.06996	9.6
142.07793	8.4
143.08525	33.1
145.06105	19.6
145.10121	26.0
147.08116	7.1
147.11639	5.9
149.05969	7.2
153.07048	12.6
155.08527	13.6
156.09323	11.3
157.10146	38.3
159.07985	9.0
159.11720	17.8
168.09332	7.6
171.08015	10.0
171.11775	7.8
173.09619	9.8
173.13400	7.4
175.07587	6.5
175.11215	13.6
183.11673	31.4
184.08795	10.1
185.13260	100.0
187.11197	15.7
199.11176	27.9
201.12764	16.7
203.10626	16.4
212.08266	11.1
215.08861	11.9
215.10699	46.1
217.12247	6.1
223.07555	6.0
227.10686	22.2
229.12233	47.1
233.11836	11.9
244.51668	6.5
245.11742	42.8
259.09708	6.9
263.12711	15.0
283.09708	7.4
322.14789	8.8
397.16623	12.0
407.16080	12.7
425.16992	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	425.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.9
55.05515	31.3
57.07072	4.9
62.52901	4.0
67.05508	35.0
69.03456	4.4
69.07070	41.8
69.89280	25.4
74.09718	5.5
75.03249	3.8
76.71234	4.4
79.05486	33.3
81.07059	86.0
83.04980	64.1
83.08620	14.6
85.06587	5.8
91.05484	41.4
93.06554	5.3
93.07056	54.7
94.70193	4.5
95.04973	17.2
95.08595	50.4
95.20899	3.6
97.06503	7.7
97.10166	8.9
105.07038	100.0
105.07688	3.8
106.07352	5.8
107.08602	54.8
109.06551	9.1
109.10162	33.8
115.10882	3.7
116.06197	4.0
117.07014	23.5
119.08585	66.8
121.10149	38.3
123.11713	6.6
125.09695	5.3
128.06244	7.8
129.07002	17.8
130.07780	5.5
131.08594	42.4
132.08890	3.8
133.10133	36.9
135.11696	19.8
141.06992	14.3
142.07773	16.6
143.08577	31.1
144.09346	11.5
145.10181	28.2
147.08015	8.8
147.11676	19.3
149.05965	11.7
149.13261	9.1
153.07050	5.5
155.08589	30.8
156.09305	14.3
157.06441	5.0
157.10146	47.2
158.10748	4.1
159.08121	5.4
159.11708	66.6
161.13248	78.8
163.07603	5.1
163.11249	5.0
165.06956	9.3
167.08559	17.2
168.09348	7.0
169.10138	49.9
171.08064	6.3
171.11697	28.0
173.09712	6.0
173.13283	18.0
175.11188	8.7
179.08563	12.2
180.09329	11.5
181.10121	25.5
182.10962	9.5
183.08092	7.1
183.11690	28.3
185.09630	9.9
185.13246	13.7
187.07433	6.9
187.11166	14.9
187.14850	9.1
189.12817	5.4
193.10136	12.9
194.10901	7.2
195.11760	29.8
196.12468	5.5
197.09633	5.1
197.13232	27.8
199.11089	4.8
199.14854	12.7
201.12778	8.4
203.10712	14.4
205.12244	11.3
207.11726	15.2
208.12392	7.7
209.09789	5.4
209.13264	34.0
210.13820	4.5
211.14761	21.2
213.16426	6.7
216.07616	6.1
217.12305	5.4
221.13289	24.3
223.14781	25.9
225.16489	15.1
227.10645	5.7
233.13403	6.1
235.14897	10.0
237.16386	12.1
241.12129	8.5
243.13826	14.5
249.16379	12.7
251.17982	15.5
253.12317	5.1
253.15836	23.2
253.19495	9.2
261.16290	5.9
263.17886	16.2
265.19583	12.4
269.15341	5.9
277.19397	8.6
281.15518	6.9
281.18961	7.1
291.17508	6.7
293.22614	6.9
297.18445	5.2
309.18524	17.4
319.24225	23.1
321.25732	12.3
337.25357	14.3
365.24704	37.0
425.15341	14.7
425.26425	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39690	0.7
54.98016	0.6
56.96568	3.6
68.32138	0.6
69.03396	0.8
69.83358	3.8
71.41752	0.6
77.00903	0.9
81.03399	0.8
82.99858	1.9
85.02905	1.8
97.02869	1.2
98.20760	1.3
98.97588	6.8
100.99152	1.1
101.00876	15.2
109.02824	1.1
110.97547	1.4
112.99139	2.3
113.00859	1.8
115.02427	0.6
116.98606	2.9
119.01918	31.7
120.02012	0.8
127.02407	1.8
127.03910	0.9
128.98589	1.8
131.00197	1.8
131.01891	10.5
133.01614	0.7
133.03459	1.6
134.99608	1.2
137.02943	2.5
137.05957	1.1
139.02386	1.1
142.03474	1.0
143.00102	1.5
143.01894	31.1
144.01904	1.0
145.03455	10.7
146.99615	1.9
147.01372	1.0
149.01178	1.7
149.02980	1.9
155.01889	14.5
157.03450	7.3
158.99658	1.5
159.04948	0.8
161.02950	59.5
162.03127	1.5
163.02754	1.0
163.04454	1.9
167.01917	7.0
169.03436	4.5
170.99738	1.2
171.04977	2.3
173.01382	1.3
173.02954	25.2
174.03050	0.9
174.99136	1.3
175.04532	2.1
177.00720	1.7
179.01859	3.1
179.04062	0.9
181.03532	0.9
184.04539	2.4
185.02954	42.0
186.03221	1.5
186.99004	0.9
187.04482	5.5
189.00740	1.7
189.06033	0.9
191.02359	1.3
191.04008	5.6
193.00262	1.2
197.02945	13.6
198.03397	0.9
199.04535	1.1
201.64931	0.6
203.02347	1.1
203.03989	20.3
207.01764	1.1
208.04634	1.2
209.02969	1.8
215.04005	8.1
219.01784	2.3
219.07101	0.9
221.05125	2.7
227.03996	8.4
232.99701	0.9
233.04941	1.4
237.02789	1.5
239.03923	1.3
239.06157	0.9
245.05066	100.0
246.05203	3.4
249.08246	0.9
251.04439	1.3
251.08076	0.7
257.05081	5.8
263.00705	2.6
263.06131	29.2
267.09064	1.0
275.06104	14.0
276.06067	0.6
281.01703	2.2
283.07104	0.9
286.07642	1.5
287.05649	0.7
291.09366	1.4
293.07251	4.2
305.01941	3.1
305.07239	10.8
317.01596	0.7
319.10800	1.6
321.10355	0.9
323.02933	1.9
335.02432	0.7
335.08124	3.3
343.63394	0.7
365.09344	5.0
425.06113	0.8
425.11154	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	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19941	0.8
56.64212	0.7
59.45151	0.9
69.28217	0.8
69.67260	0.8
69.86784	6.1
82.99857	2.0
90.49720	0.9
101.00878	11.7
109.02865	1.6
113.00861	2.6
119.01923	22.8
127.02415	1.6
131.01926	8.0
137.02943	2.7
143.01897	25.9
144.02034	0.9
145.03462	8.2
149.02974	1.5
155.01900	10.8
157.03471	6.0
161.02963	45.1
162.03053	1.3
163.04547	1.3
167.01924	8.0
169.03471	2.3
171.05008	1.7
173.02960	20.5
175.04602	1.8
179.01944	2.4
179.04083	0.9
184.04512	2.1
185.02954	31.4
187.04517	3.4
191.04015	3.6
197.02957	11.9
203.02252	1.8
203.04002	16.0
209.02994	1.1
215.04050	5.9
221.05055	1.7
227.04013	6.2
233.04922	1.0
239.03990	1.0
245.05078	100.0
246.05324	3.9
257.05182	4.1
263.03333	1.4
263.06128	28.0
275.06100	14.1
276.06345	1.1
286.07730	1.1
293.07227	4.2
305.07159	13.8
335.08224	2.5
363.79697	0.8
365.09232	4.1
391.42453	0.9
425.06473	0.8
425.11179	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01875	2.1
55.05512	10.7
57.03448	3.2
57.07072	5.7
57.25042	0.8
59.05002	1.7
65.03962	1.8
67.05503	50.1
68.05822	0.8
69.03423	5.5
69.07068	11.8
71.05003	3.5
71.08643	3.9
71.53802	1.7
73.02918	1.6
75.04504	0.8
79.05492	16.4
81.03430	4.6
81.07058	32.7
83.05013	3.0
83.08623	5.8
85.02905	1.0
85.06561	3.2
91.05480	13.4
93.07044	22.0
95.04973	2.2
95.08609	20.9
97.02898	6.5
97.06570	3.2
97.10172	1.3
99.04456	6.3
99.08110	2.8
105.07030	10.2
107.07884	1.1
107.08588	15.1
107.09267	0.9
109.02921	2.1
109.06516	18.9
109.07226	1.0
109.10155	25.3
111.08115	2.5
117.07037	4.1
119.08575	10.0
121.06559	0.8
121.10151	10.4
122.07327	1.7
123.08064	38.5
123.11739	2.2
127.03923	5.7
129.07071	1.0
131.08588	5.2
133.10155	5.7
135.08063	9.8
135.11696	4.6
137.09657	3.7
137.13255	1.4
142.07826	0.7
143.08612	1.6
145.10097	5.5
147.11670	5.3
148.34637	0.9
149.09697	3.2
149.13266	7.4
151.11169	0.9
155.10730	1.7
157.10175	2.1
159.11667	5.0
161.13342	2.1
163.14856	1.3
165.12808	1.4
167.14366	1.8
169.10193	1.2
171.11784	1.1
173.11807	5.8
173.13312	2.9
175.14929	1.2
177.12746	4.3
179.14313	71.2
180.14700	2.0
185.13261	1.0
187.14743	1.3
191.14383	1.7
193.16006	2.1
195.13969	2.2
205.16014	3.2
219.17584	0.9
233.19058	1.2
259.20587	1.2
261.22369	1.9
263.20029	1.2
275.20169	3.0
303.26938	3.3
313.25049	0.8
331.22406	2.1
331.26321	42.0
332.26733	2.3
349.27621	3.3
367.25122	1.3
405.30469	0.9
423.31326	100.0
424.31567	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23603	1.3
53.03934	1.6
55.05494	7.0
57.03428	3.4
57.07065	5.5
60.85311	1.5
65.03899	1.4
67.05501	21.6
69.03419	1.7
69.07069	11.2
71.04994	1.7
71.08621	4.4
71.63673	1.9
71.64040	1.7
79.05497	9.6
81.07050	23.6
83.04970	2.1
83.08609	4.7
85.06516	3.7
89.18088	1.4
91.05493	7.6
91.30157	1.6
92.40005	1.7
93.07050	11.0
95.04957	2.5
95.08599	16.5
97.06548	3.1
97.10183	3.4
99.08083	2.2
105.07005	7.6
107.08597	11.3
109.06515	18.9
109.10155	12.9
109.84470	1.5
111.08087	2.3
117.07044	1.5
119.08573	5.8
121.06516	2.3
121.10117	7.4
122.89851	1.4
123.08063	44.2
123.11692	3.0
131.08574	3.3
133.10138	6.9
135.08040	8.6
135.11684	5.3
137.09598	3.5
137.13217	1.8
143.10677	2.0
145.10121	4.1
147.11665	3.8
149.09595	1.7
149.13281	2.7
159.11749	3.3
160.00075	1.6
161.13297	2.4
165.12799	1.7
173.11807	1.9
173.13257	1.5
175.14777	2.0
177.12711	3.5
179.14304	74.2
180.14670	2.3
193.15858	4.5
205.15932	2.5
275.20279	2.4
293.21225	3.1
303.26929	4.3
331.26349	40.6
332.26749	3.6
337.78900	1.6
348.60287	1.5
349.27338	10.7
353.05142	1.6
405.30392	2.5
423.31134	100.0
424.31409	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01856	8.4
55.05510	13.9
57.03439	6.4
57.07082	4.7
65.03941	1.9
66.61703	1.4
67.05504	60.3
69.03435	15.1
69.07063	15.2
70.88196	5.2
71.04990	7.9
71.08630	2.4
73.02924	2.6
79.05492	34.0
79.05915	2.8
81.02350	1.5
81.03427	14.2
81.07054	50.3
83.04980	3.6
83.08604	8.2
85.02908	4.4
85.06567	1.6
91.05486	16.8
91.38026	1.6
93.07043	37.9
95.04984	3.4
95.08610	33.2
97.02893	23.6
97.06531	3.0
97.10170	2.4
99.04456	22.0
105.07030	14.1
107.08582	22.3
109.02888	8.6
109.06531	15.1
109.10155	27.9
111.04459	1.5
111.08103	2.4
117.07051	4.7
119.08578	17.7
121.10149	18.3
123.08065	45.5
123.11716	4.0
127.03917	26.7
129.07056	2.1
131.08585	9.5
133.10144	12.0
135.08075	9.1
135.11707	12.1
137.09656	4.4
137.13293	3.7
143.08574	2.3
145.04991	3.2
145.10164	7.1
147.11729	6.8
149.09650	3.7
149.13275	7.8
155.10666	1.6
159.11713	8.4
161.09641	1.6
161.13318	6.3
163.14874	2.6
165.12798	2.8
173.11780	4.6
173.13396	5.9
175.14874	1.9
177.12827	5.2
179.14314	35.7
179.15843	2.4
187.14897	2.6
188.51971	1.5
189.16524	2.2
196.89680	1.5
201.16347	2.4
205.15981	1.9
241.67381	1.5
243.21185	1.6
259.20734	2.6
261.22110	8.2
275.20078	3.8
277.21799	2.6
293.21091	2.8
303.26950	4.9
331.26266	33.5
336.47971	1.7
349.27551	7.2
367.25131	2.3
395.51935	1.9
423.31296	100.0
430.71130	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.5
55.01843	1.9
55.05505	7.4
55.29536	0.4
57.03432	2.5
57.07076	5.1
59.04968	1.0
65.03918	0.8
67.05501	26.3
69.03395	1.6
69.07063	8.3
71.04986	2.8
71.08621	4.4
71.64643	0.8
73.02885	0.7
77.03864	0.6
79.05066	0.7
79.05487	12.2
81.03394	1.0
81.07050	23.4
83.04942	1.8
83.08615	4.4
85.06547	2.8
90.05896	0.4
91.05473	9.0
93.06479	0.9
93.07038	14.8
94.07345	0.6
95.04930	2.0
95.08601	17.3
95.23179	0.4
97.02296	0.5
97.02884	8.6
97.06514	2.3
97.10145	2.0
99.04456	3.8
99.08100	2.7
105.07022	7.5
107.08588	12.4
109.02821	1.1
109.05790	1.0
109.06516	18.7
109.10149	14.5
110.10492	0.4
111.08073	2.5
115.05447	0.7
117.06981	2.2
119.08578	7.8
121.06510	0.9
121.09305	0.6
121.10133	9.0
122.07269	2.2
123.08060	30.9
123.11657	2.6
124.08404	0.7
125.09667	0.5
127.03890	3.0
131.08559	3.9
133.10124	5.2
135.08031	7.7
135.11674	4.2
136.08780	0.6
137.09599	2.2
137.13206	0.7
139.11182	0.5
143.08562	0.5
144.51523	0.4
145.04967	0.7
145.10121	3.8
147.07999	0.9
147.11693	3.8
149.09546	2.1
149.13220	5.0
151.11185	0.8
151.14767	0.6
155.00710	0.5
155.10667	0.5
157.10132	0.9
159.11671	4.2
160.32732	0.5
161.09535	0.5
161.13245	1.6
163.11220	0.8
163.14748	0.7
163.86566	0.5
165.12732	1.5
167.14287	1.9
171.11636	0.6
173.11688	2.9
173.13217	1.8
175.14778	1.2
177.12747	3.2
177.16393	0.5
179.14301	84.2
180.14645	2.7
183.11684	0.5
185.13293	0.6
185.97365	0.5
186.68724	0.4
187.14822	1.6
191.14331	1.7
193.15857	2.8
195.13838	1.2
205.15883	3.3
214.29468	0.5
233.19000	1.1
243.21167	0.6
261.22116	2.6
275.19998	2.8
277.08643	0.5
289.25354	0.8
293.21271	1.0
303.26779	2.5
313.25293	1.2
331.26291	36.3
332.26700	1.8
349.23431	0.4
349.27347	8.8
367.24899	1.3
405.30301	2.5
423.31158	100.0
424.31534	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.9
55.01869	12.3
55.05506	28.9
57.03412	6.7
57.07050	3.6
59.04971	3.4
65.03929	4.2
67.05499	99.3
69.03131	1.9
69.03423	23.7
69.07065	19.6
71.01338	2.9
71.04992	9.8
71.08615	2.4
71.35942	5.4
73.02908	4.4
79.05486	78.8
79.05949	4.5
81.03407	26.7
81.07050	100.0
83.04966	5.4
83.08619	14.7
85.02883	8.1
85.06537	4.4
91.05470	54.1
92.49458	2.3
93.07034	84.6
95.04974	11.0
95.08596	70.2
97.02264	4.1
97.02879	74.5
97.06512	6.3
97.10158	5.8
99.04440	30.8
99.08113	2.0
105.04535	3.2
105.07014	38.8
107.04948	2.7
107.08584	52.7
109.02869	14.3
109.06493	6.9
109.10149	46.5
111.04472	3.4
111.08085	4.7
115.05420	2.1
117.06274	2.8
117.07002	18.3
119.05998	1.9
119.08560	40.0
121.06444	2.4
121.10127	46.0
123.08040	7.3
123.11685	14.3
127.03903	41.4
128.91911	2.1
129.06966	6.5
131.04895	3.5
131.08566	27.8
133.10138	26.4
135.08023	3.8
135.11688	30.6
137.09586	3.9
143.08542	5.5
145.04906	5.0
145.06499	1.9
145.10110	22.3
147.08043	2.2
147.11685	19.5
149.13228	20.7
155.08549	3.7
157.10068	6.5
159.11668	21.9
161.09549	3.7
161.13210	18.7
163.14810	6.0
165.12679	2.5
169.10094	4.0
171.11662	7.4
173.09564	4.1
173.11681	6.3
173.13223	14.9
175.14772	7.1
177.12700	3.3
179.14308	9.1
183.11671	4.1
185.13179	4.4
187.11101	2.7
187.14812	7.1
189.16411	3.7
195.11652	2.9
199.14691	2.7
201.16331	5.7
203.17990	3.2
215.17987	2.8
241.19592	2.2
243.21025	8.7
259.20590	8.0
261.22107	33.5
273.21875	2.5
277.21732	3.6
329.24438	3.6
331.26175	4.7
339.23206	4.0
357.24130	7.6
405.34946	3.8
423.26462	16.4
423.31546	7.2
423.36267	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01853	7.0
55.05506	21.9
57.03418	6.4
57.07078	2.5
59.04984	2.3
65.03916	2.3
66.44479	1.9
67.05498	100.0
69.03428	13.3
69.07063	17.5
71.01359	2.4
71.04998	12.6
71.57232	4.0
73.02894	5.6
77.08461	2.2
79.05483	60.9
79.11990	1.8
81.03402	7.4
81.07047	83.8
83.04974	4.5
83.08604	12.2
85.02893	3.0
85.06549	3.0
91.05480	36.3
93.07036	71.1
95.04958	9.8
95.08595	48.3
97.02884	79.8
97.06516	5.4
97.10162	6.2
99.04436	40.2
99.08093	2.8
105.07019	24.3
107.08579	36.4
109.02877	10.1
109.06502	4.2
109.10144	48.9
111.08082	3.8
114.85817	1.7
114.86758	1.7
117.06989	8.5
119.08571	20.8
121.10130	38.0
123.08070	8.4
123.11702	11.4
127.03912	29.2
131.08539	16.8
133.10118	15.2
135.07991	2.1
135.11681	20.8
137.09595	2.8
143.08533	3.0
145.04906	10.9
145.10117	13.4
147.11649	13.0
149.13254	15.7
159.11665	13.0
161.13246	8.9
163.14801	5.5
173.11713	11.7
173.13249	9.0
175.14891	2.6
177.12810	4.0
179.14287	8.1
187.14806	5.9
189.16414	1.8
189.79938	1.8
195.13783	3.5
241.19533	2.3
243.20982	6.3
255.50948	2.0
261.22104	22.3
279.23160	2.2
331.26300	3.8
349.26740	2.5
401.17404	2.3
413.47409	2.5
423.26526	19.6
423.31625	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42385	2.3
55.05509	9.0
57.07075	3.7
67.05501	30.5
69.07066	29.5
69.74120	5.5
69.74439	21.7
79.05500	19.2
81.07063	28.9
83.08622	6.0
88.12137	2.9
89.74951	2.6
91.05481	33.1
93.07050	36.7
95.04974	7.6
95.08593	19.4
97.06525	4.0
103.05468	2.9
105.07027	85.9
107.08599	31.8
109.06503	7.4
109.10152	29.4
115.05447	3.6
117.07014	33.1
119.07765	4.6
119.08572	45.5
121.06504	6.2
121.10146	15.3
123.08070	2.9
123.11720	6.0
128.06219	6.7
129.06993	15.3
130.07700	4.1
131.08563	40.9
133.06509	4.9
133.10117	33.2
135.08049	3.8
135.11707	10.3
141.07010	5.2
142.07739	15.3
143.08557	23.0
144.09325	9.7
145.06508	4.6
145.10143	32.1
147.11674	8.7
149.02327	4.7
149.06021	14.5
149.13235	4.8
151.07520	3.7
153.06926	4.9
155.08516	16.7
156.09261	13.8
157.10138	48.4
158.10818	3.4
159.08061	4.0
159.11685	100.0
160.12056	3.5
161.09639	5.7
161.13251	20.1
163.07576	3.8
165.06975	7.7
167.08560	7.4
168.09352	6.1
169.10117	17.4
171.11670	28.5
173.09608	7.7
173.13234	15.0
175.11137	8.4
177.12746	15.2
179.08557	10.2
180.09311	6.8
181.10124	11.0
182.10883	3.9
183.11682	25.8
185.13257	12.3
187.07664	5.9
187.11174	13.5
187.14812	7.5
189.12767	3.0
192.09332	6.0
193.04936	3.1
193.10127	14.5
194.05286	3.3
194.10915	7.0
195.11708	28.2
195.13524	5.0
197.13319	21.8
199.11221	5.0
199.14813	8.1
201.12714	7.9
203.10564	4.3
203.14340	4.1
205.10141	8.8
205.12195	71.3
206.10941	10.0
207.11693	29.5
208.12495	3.9
209.13274	28.4
211.14845	10.8
213.12717	3.6
219.11920	14.5
219.13667	5.1
220.12425	6.3
221.13286	27.1
222.13814	4.3
223.14873	16.4
225.16380	7.6
227.10770	3.9
227.17981	4.0
229.12233	11.8
231.11661	5.7
232.12497	5.7
233.13280	17.2
234.13881	6.0
235.14761	21.3
236.15466	2.9
237.16374	8.1
239.18109	4.4
241.12332	4.9
245.13329	3.0
246.13998	6.2
247.14778	12.6
248.15541	7.8
249.16331	30.1
250.16957	2.9
251.17912	5.9
257.26620	4.0
260.15707	3.6
261.16364	22.4
262.16913	4.9
263.17935	26.4
264.18484	4.5
272.92218	2.8
275.17810	14.2
276.18527	3.7
277.19485	25.1
279.17218	2.9
287.17697	3.4
289.19473	6.9
291.20859	15.2
294.16022	3.4
295.17010	3.1
302.20105	3.3
303.21106	6.2
304.21756	4.3
307.16879	7.6
307.24255	5.1
317.22610	53.6
318.23138	8.1
319.24200	71.9
320.24634	5.9
335.19992	3.9
335.23651	58.3
336.24109	4.1
345.22089	5.4
363.23218	61.6
364.23642	4.2
381.24219	17.5
423.24509	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01863	3.3
55.05504	3.5
57.04578	1.6
57.07069	1.9
58.06598	2.0
61.01140	10.7
67.05499	3.1
69.03428	3.3
70.06593	7.1
71.64221	2.3
72.04511	12.9
72.08146	9.6
73.02908	2.4
78.03787	26.3
81.03430	3.3
81.07053	1.6
83.04933	3.2
83.08554	1.8
84.04504	3.4
84.08141	4.6
84.32837	1.9
85.02899	18.3
85.06541	2.6
86.06050	2.7
86.09709	5.2
88.02200	6.0
91.05482	9.6
92.05811	2.6
95.04978	4.3
98.06093	1.8
99.04427	8.1
99.05563	3.8
100.02177	2.5
102.03763	29.9
103.02164	3.8
103.03938	17.0
109.02866	5.3
109.41243	1.6
112.07620	2.0
113.06022	1.9
114.03745	2.7
114.05484	1.9
119.05028	1.4
120.04812	7.3
120.08084	5.6
121.83440	1.5
123.04404	2.0
124.07607	2.8
126.05508	22.6
127.03902	9.6
129.10208	4.1
131.06367	14.7
132.04778	19.8
133.10097	1.5
136.07559	4.3
140.57744	1.5
141.06615	2.8
142.08636	9.2
146.02679	3.3
149.07431	65.2
151.07607	2.0
152.07086	5.0
154.08612	2.1
155.07002	1.7
159.05811	4.0
175.05383	5.6
175.09589	1.8
180.06517	14.4
183.06601	1.6
184.09641	2.6
195.06514	1.8
198.07639	3.1
216.08672	4.1
231.11641	5.6
257.09784	2.3
261.12747	3.5
264.13153	1.4
275.10568	2.6
293.11636	100.0
294.11981	2.4
405.11972	3.9
405.16928	40.4
423.12546	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	423.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	22.6
56.19617	7.9
57.07051	10.8
67.05226	9.1
67.05509	98.1
69.07062	25.7
70.53807	36.3
71.90183	8.1
79.05483	22.0
81.07055	59.8
83.04987	10.6
83.08661	9.8
85.59650	8.3
87.35452	9.1
91.05482	32.2
93.07041	39.5
95.08625	45.7
97.06590	8.9
105.07043	23.2
107.08580	31.6
107.53967	11.7
109.06543	9.6
109.10160	54.9
119.08585	25.7
121.10136	30.1
123.08048	18.7
131.08524	12.5
133.10114	16.1
143.08484	11.9
145.10118	14.7
147.11688	12.3
147.82118	8.2
149.13304	13.4
155.56418	8.9
156.89920	10.7
173.11830	11.1
179.14334	23.0
179.64420	8.6
185.13217	8.8
199.14810	10.0
216.19974	11.0
221.15346	12.4
233.69711	8.5
349.67963	11.4
423.22763	100.0
423.26321	11.2
423.31644	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	423.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39519	9.1
55.05499	21.5
55.54302	8.4
57.03440	9.5
57.07076	9.9
67.05495	100.0
69.07054	25.8
69.72415	67.0
79.05481	37.9
81.07058	56.0
83.08642	20.1
90.60220	8.4
91.05498	23.6
93.07041	31.9
95.05015	7.2
95.08630	20.0
97.10139	13.9
98.21528	9.1
105.07037	28.1
107.08579	25.1
107.48885	9.8
109.10143	61.3
111.08088	14.1
117.07004	15.1
119.08560	27.5
121.10131	27.0
123.08061	28.5
131.08574	22.1
133.10112	24.4
135.08060	13.2
149.13246	18.8
163.11102	10.3
173.11731	9.2
179.14326	19.6
197.13307	12.0
219.06969	9.5
346.01291	8.2
423.22675	57.7
423.26624	13.3
423.31964	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01864	3.7
55.05507	3.4
56.05024	1.1
57.07058	1.7
58.06594	6.5
60.04520	1.6
61.01149	8.4
65.03950	1.0
67.05485	2.1
69.03415	3.3
69.07063	1.6
70.06596	7.1
71.04989	2.0
71.14027	3.0
72.04510	10.0
72.08151	18.2
72.50835	1.3
73.02922	2.1
78.03793	18.0
79.05492	2.3
81.03419	1.3
81.07053	2.1
83.04984	2.6
83.08614	1.6
84.04510	2.0
84.08137	5.5
85.02905	9.6
85.06554	2.6
86.06093	2.7
86.09700	6.0
88.02206	5.2
91.05472	8.1
92.05821	2.4
95.04957	2.6
97.02885	1.6
97.06544	1.9
98.02413	1.9
98.97565	1.1
99.04446	8.6
99.05557	3.9
100.02169	1.5
101.07129	1.4
102.03761	27.9
103.02151	4.0
103.03943	18.5
109.02839	5.3
112.07642	1.4
113.06011	1.9
114.03748	4.0
114.05496	2.4
115.05012	2.2
116.08922	1.1
120.04800	4.6
120.08107	10.4
123.04375	1.6
124.07571	2.4
125.05917	1.1
126.05517	19.6
127.03893	7.9
129.10234	4.6
131.06404	11.9
132.04781	17.2
133.04953	1.8
136.07555	5.0
137.05997	1.5
141.06647	1.4
142.08615	5.4
145.04904	1.3
146.02679	1.4
146.05301	1.3
147.04416	1.1
149.07434	58.5
152.07011	2.4
154.08667	2.7
156.06639	1.4
157.06544	1.1
159.05821	2.6
167.07065	1.2
175.05403	2.6
177.10214	3.6
179.12900	1.1
180.06561	14.0
184.09682	2.0
191.08611	1.4
192.02927	0.9
198.07584	3.5
205.09737	3.9
216.08543	2.7
219.13428	1.6
231.11569	4.4
257.09583	2.5
261.12637	4.6
273.12238	1.2
275.10666	2.7
275.57083	1.2
293.11642	100.0
294.11920	3.1
302.12405	1.5
405.12122	1.7
405.16858	38.7
423.12744	3.4
442.10861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05321	0.2
53.99198	0.2
55.04247	0.2
55.48359	0.2
58.06532	0.2
58.27912	0.2
67.05461	0.2
68.05012	0.3
70.06589	15.1
71.64519	0.3
74.06079	0.3
79.05485	0.4
80.04996	0.4
82.06575	4.3
84.04504	0.3
84.08138	1.9
86.09200	0.4
86.09698	4.5
91.05452	0.5
93.07048	0.4
97.06510	0.5
98.06039	0.3
100.07610	49.2
101.07960	0.4
105.07026	1.7
106.81731	0.2
107.08577	0.6
114.05550	0.4
116.07079	0.6
117.07037	0.5
119.08576	1.0
120.08109	0.7
126.05488	0.7
128.07071	100.0
129.07448	0.4
131.08533	0.9
133.10120	0.5
142.07716	0.3
142.08670	0.3
143.08549	0.6
145.10141	0.7
147.11673	0.4
149.13280	0.3
152.51335	0.3
154.08633	0.5
157.10141	0.7
159.11716	0.9
166.08742	0.3
173.13223	0.3
175.11189	0.6
183.11632	0.5
185.13255	0.4
187.11136	0.3
201.12715	0.5
229.12323	0.3
239.14018	0.4
247.13318	0.6
279.17215	0.3
316.19098	0.9
334.43567	0.3
362.19617	3.4
376.21146	5.0
377.21664	0.3
422.21725	19.2
423.22076	0.7
424.36258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
55.05491	6.7
67.05499	17.1
67.13000	4.0
68.05823	5.4
69.03407	4.0
69.07068	9.5
71.31399	4.3
71.63739	8.9
72.12657	4.2
72.80402	3.8
79.05490	19.3
80.05828	6.6
81.03410	6.2
81.07037	12.3
91.05478	9.7
93.07075	6.6
93.15540	4.8
95.04949	11.3
95.08603	5.2
97.06503	8.2
97.69511	4.7
105.07001	18.5
107.04960	42.5
107.08566	6.4
109.10131	8.5
110.07180	12.4
115.05442	5.4
119.08604	8.3
121.10113	5.5
133.06451	5.8
135.08017	14.1
137.05992	6.3
137.09613	5.3
158.55051	5.1
159.11708	10.1
161.06004	5.5
163.03938	7.0
163.07541	15.3
167.07050	18.3
195.10168	100.0
204.77100	5.5
215.06964	5.7
259.09686	6.9
260.09860	9.1
330.21475	20.9
404.25006	10.6
422.26318	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	421.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.9
53.03928	5.2
53.09523	2.0
55.01875	12.7
55.05507	31.6
57.03437	13.4
57.07047	2.4
59.04984	2.9
65.03925	3.5
67.05502	79.4
69.03416	17.1
69.07057	26.2
70.06586	3.1
71.04982	7.3
71.64641	3.4
79.05489	50.3
81.03416	28.7
81.07050	42.2
83.04967	10.4
83.08617	17.0
85.02891	5.7
85.06528	4.8
88.07632	2.5
89.03896	5.9
91.05474	49.9
93.07040	37.4
95.04970	62.8
95.08604	27.9
97.02898	12.8
97.06525	81.7
97.10162	12.6
98.06813	3.3
98.97584	2.9
99.04400	3.4
103.05482	3.5
105.07025	31.2
107.04952	31.3
107.08581	16.4
109.02872	5.0
109.06513	9.2
109.10141	27.8
111.08058	6.7
115.05440	4.2
117.03345	5.5
117.07032	18.3
119.04955	3.8
119.08574	23.7
121.06493	25.7
121.10165	12.5
123.08064	10.1
125.09636	9.9
128.06232	4.3
129.07022	15.7
131.04918	3.5
131.08557	27.4
133.06473	9.0
133.10132	12.4
135.04388	11.5
135.08034	8.6
135.11684	6.5
137.06000	2.6
137.09563	7.2
139.07549	2.6
141.06966	7.8
142.07753	4.3
143.08533	13.0
145.01768	2.5
145.02850	9.2
145.06493	6.5
145.10094	15.7
147.04385	2.5
147.08080	11.1
147.11670	8.4
149.02373	3.3
149.09596	7.0
155.08546	6.2
157.06543	3.8
157.10115	14.4
159.04437	3.9
159.08034	4.5
159.11685	13.9
161.02325	6.6
161.09613	5.2
163.03903	64.7
163.11163	8.1
164.04256	2.4
165.07053	2.7
165.09151	2.4
167.08524	5.1
169.10083	6.3
171.08066	4.8
171.11655	4.2
173.02318	21.3
173.09543	2.7
173.11699	7.2
173.13200	5.3
175.11133	10.2
177.12753	4.1
181.10109	3.2
183.11588	3.9
185.09621	6.5
185.13210	5.5
189.09138	7.2
189.11191	8.7
189.12782	4.7
191.03271	3.1
193.04993	3.3
193.12263	11.0
195.08102	3.0
199.11247	4.4
201.12819	3.9
203.10670	9.0
203.12585	4.0
205.12212	6.4
213.12726	3.0
215.07027	36.2
217.12271	2.7
219.13744	2.7
223.13242	3.7
229.23431	2.9
231.13831	5.9
245.15268	2.7
249.14844	7.2
251.22481	2.4
259.09644	100.0
260.10031	10.1
293.19016	2.5
301.21555	7.0
311.20160	14.1
329.21100	83.8
330.21310	5.3
347.22101	9.9
357.24463	2.7
385.23459	5.2
403.13855	6.1
403.24756	47.6
404.25067	2.7
421.14990	14.9
421.25720	67.4
422.26196	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
54.94703	1.8
55.01876	15.8
55.05511	31.4
57.03439	16.3
59.04995	3.9
65.03938	4.4
67.05506	100.0
69.03436	16.8
69.07064	25.7
70.75935	6.5
71.01340	2.1
71.04986	8.7
71.05331	1.9
79.05492	62.7
81.03421	41.2
81.07059	57.6
83.04975	14.1
83.08611	22.6
85.02898	8.3
85.06542	4.2
91.05481	69.5
93.07043	47.8
95.04968	84.1
95.08607	36.1
97.02889	20.8
97.06527	57.6
97.10157	15.9
98.06866	2.1
100.07653	2.1
103.05467	3.6
105.03407	3.8
105.04492	2.4
105.07028	36.5
107.04951	30.9
107.08575	19.9
109.02912	3.8
109.06543	10.3
109.09468	4.1
109.10162	55.1
111.04440	5.5
111.08073	6.2
115.05456	4.6
117.07021	17.8
119.04990	5.3
119.08582	28.9
121.06513	28.8
121.10129	14.7
123.04394	3.0
123.08064	11.9
123.11687	2.5
125.09626	11.4
127.03915	3.5
128.06259	3.7
129.06985	19.0
131.04933	3.8
131.08565	27.0
133.06480	7.6
133.10149	17.7
135.04391	7.2
135.08061	8.6
135.11725	5.6
137.05974	5.3
137.09645	11.6
139.11169	3.7
141.06964	9.6
142.07809	5.7
143.08566	13.1
145.02776	3.9
145.06496	8.9
145.10123	17.5
147.04398	3.7
147.08092	10.0
147.11697	8.1
149.05975	2.7
149.09628	6.9
149.13226	2.1
151.07516	2.7
153.09042	2.5
154.07759	2.4
155.08568	7.0
155.10712	2.1
157.06473	4.8
157.10130	19.9
159.04379	4.3
159.08040	7.2
159.11667	10.7
161.02322	10.0
161.05978	7.0
161.09596	9.8
162.14813	1.9
163.03911	33.9
163.11150	11.6
165.09061	4.5
165.12769	1.8
167.03418	2.5
167.07089	3.1
167.08536	5.4
168.09413	3.0
169.06479	4.4
169.10165	6.3
170.48373	2.0
171.08055	2.8
171.11691	6.4
173.02362	18.0
173.09613	3.0
173.11761	13.1
173.13174	4.6
175.03906	3.5
175.07578	3.3
175.11186	18.0
177.12793	6.2
181.04968	3.2
181.10092	3.8
183.11710	4.0
184.05045	2.1
185.09647	7.8
185.13222	3.2
187.07509	5.9
187.11229	3.5
189.09235	12.8
189.11050	9.8
189.12820	2.7
191.03467	2.9
193.12265	16.4
195.08136	5.6
195.11801	3.4
197.06070	4.3
197.09618	2.4
197.13319	3.2
198.06830	2.1
199.11188	7.1
200.04730	3.3
201.12735	5.7
203.10715	12.5
203.12822	8.3
203.14510	3.7
205.12244	4.8
211.09599	3.9
213.09254	4.5
213.12741	3.3
215.07056	41.8
216.07338	2.8
217.08630	3.6
217.12372	2.5
219.13766	2.5
223.13335	6.9
231.10191	2.8
231.13768	4.5
241.08820	3.7
249.14812	10.5
259.09665	94.0
259.15494	2.9
260.10062	5.0
263.16653	2.5
265.19489	2.2
268.86746	1.9
279.13727	2.5
283.20493	2.5
287.16324	1.9
301.21619	8.0
311.20020	20.9
319.22772	2.5
329.21133	88.5
330.21463	5.4
347.22202	14.2
367.22507	2.5
385.23825	7.5
385.99619	2.0
403.13779	3.1
403.24802	56.7
404.25348	2.6
421.04950	2.3
421.15057	14.1
421.20224	4.7
421.25894	94.7
422.15643	2.2
422.21301	2.9
422.26505	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	421.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	2.3
55.05508	0.6
55.48558	0.4
57.03438	1.0
65.03925	1.2
66.04726	0.4
67.05495	1.4
69.03418	0.7
69.40547	1.8
69.40969	1.6
75.04479	0.6
77.03943	0.8
79.05490	7.8
81.03413	0.6
81.07055	0.7
85.02901	0.7
85.45168	0.3
87.27505	0.3
91.05474	9.1
92.06248	0.7
93.07050	3.8
95.04969	3.4
95.08591	0.4
97.06528	1.6
98.21426	0.6
103.05459	8.6
104.06287	0.6
105.03361	0.6
105.04547	0.6
105.07027	24.5
106.04195	0.5
107.04950	5.4
107.08549	0.5
108.05743	1.6
109.06501	1.9
111.04445	1.1
115.05437	1.7
117.06997	0.9
118.04147	7.5
119.04946	4.4
120.05714	2.3
121.06496	8.5
122.03628	0.7
122.07337	2.1
123.04405	1.7
123.08073	2.5
124.05210	1.9
125.05985	0.8
130.04160	0.4
131.04890	1.9
132.05708	1.0
133.06487	24.0
134.03592	0.4
134.07343	1.7
135.04405	3.2
135.08046	4.8
136.05197	0.6
137.04973	0.6
137.05966	8.2
139.03882	1.1
146.03564	1.9
147.04411	1.7
148.05231	2.0
149.05980	6.1
150.06757	14.7
151.03937	0.6
151.07544	5.2
153.05475	1.3
154.06245	5.4
155.06972	0.8
157.10213	0.3
161.05998	3.2
163.03918	1.0
163.07501	1.7
165.05490	1.6
165.09108	16.1
166.06238	2.3
167.05602	0.7
167.07034	13.4
168.07813	2.9
171.06578	0.5
177.05478	4.2
178.06273	1.7
179.05618	0.5
179.07045	5.8
180.07672	0.3
181.04968	7.3
181.08583	17.5
193.08598	63.6
194.08931	1.3
195.10188	0.8
207.10083	0.5
209.08089	10.4
210.08847	8.5
211.09642	100.0
212.10182	3.9
215.06996	1.1
239.12758	2.4
254.59081	0.3
259.09613	1.4
266.21494	0.3
311.19653	0.4
329.20944	0.5
371.14569	0.4
394.57233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	6.9
55.05512	36.4
57.31521	1.0
61.02934	1.4
65.91774	0.9
67.05501	6.6
69.03415	1.5
69.07068	23.2
69.69737	2.0
69.70155	4.2
70.06590	1.7
71.04986	4.0
72.07516	0.7
72.08151	1.2
74.27026	1.1
79.05501	5.5
79.68680	0.8
81.03463	1.1
81.07049	1.3
81.69381	0.8
83.05000	1.0
83.08618	100.0
84.04491	2.3
84.08949	2.1
85.02889	0.9
86.09736	1.7
87.08118	2.9
91.05497	4.6
93.07040	13.7
95.04980	2.3
95.08619	7.3
97.02891	3.0
97.06525	3.6
98.20847	1.7
103.05460	2.4
105.05553	0.8
111.08080	35.8
113.65673	0.9
115.03934	5.0
120.08095	1.2
121.06503	8.7
129.09125	5.6
133.04994	2.1
137.05960	4.7
139.07549	10.6
143.03404	0.9
147.04364	2.0
155.08551	1.6
157.08614	21.2
165.06981	0.9
169.04987	3.2
175.09663	70.6
176.10023	2.5
183.08124	0.8
201.09106	1.7
207.10158	2.6
225.11240	10.3
229.08601	3.1
243.08775	2.4
243.12312	9.1
244.09570	3.7
253.10704	10.3
259.09808	1.5
271.11758	77.9
272.12140	3.3
357.15445	2.2
378.15427	1.5
379.16092	1.8
385.14691	1.3
403.15610	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01866	12.5
57.03431	6.5
59.89312	1.0
61.02909	3.3
63.53347	1.0
64.32404	1.0
65.03926	1.1
66.14903	1.2
68.99789	5.9
69.03071	2.2
69.03425	33.1
70.06581	1.5
70.96736	1.1
71.01340	1.4
71.04981	4.3
71.39607	3.0
73.02899	4.7
76.54550	1.3
79.05457	1.4
81.03419	18.7
84.08114	1.6
85.02901	100.0
86.52238	1.1
87.00829	14.3
91.05467	4.0
94.04187	1.3
95.04977	1.6
97.02895	18.9
99.04447	16.1
103.03928	2.2
105.01871	10.9
109.02873	27.9
109.06496	1.3
115.03828	1.1
117.01829	1.4
119.04894	3.2
122.03682	2.3
123.04375	2.0
127.03911	63.0
129.01826	6.1
135.04433	1.3
137.05971	64.3
138.06288	1.5
145.04961	29.5
145.06116	1.7
147.02853	4.8
151.07481	1.4
151.69485	1.2
155.07002	1.3
159.02879	6.9
161.05991	3.2
163.03860	4.9
165.05484	1.8
171.02872	2.7
175.07513	1.5
179.07030	7.9
189.03931	3.5
203.06995	2.6
213.03987	3.2
217.08612	1.4
221.08099	4.4
223.13312	1.5
227.06953	1.5
231.04993	35.8
232.79668	1.3
245.08014	5.6
248.07791	1.8
249.06050	12.9
263.09131	9.6
349.09192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	17.4
58.06591	3.8
59.04990	5.9
69.03431	78.4
71.17056	7.4
73.02896	4.3
85.02901	53.0
87.04464	51.0
91.05479	100.0
97.02881	73.9
107.04955	9.4
115.03925	78.9
127.03928	11.6
133.04970	78.1
133.06473	6.4
141.50388	3.8
145.04951	8.1
145.06413	4.3
150.07578	8.4
152.43605	3.6
161.04436	4.5
223.09618	8.5
243.86115	3.8
259.08200	4.6
277.09183	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	421.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01866	6.7
55.05508	35.8
57.03411	0.8
58.06594	1.0
61.02924	2.3
64.00320	0.9
67.05498	8.0
68.87437	0.8
69.03449	0.8
69.07066	21.7
70.06581	1.8
70.37089	3.8
71.04979	3.1
72.08160	1.3
73.02879	0.8
79.05498	4.5
81.03423	1.2
81.07045	1.7
83.04969	1.4
83.08614	100.0
84.04501	3.6
84.08961	1.0
85.02880	2.5
86.09704	1.9
87.04462	1.3
87.08105	2.6
91.05483	5.0
93.07037	12.5
95.04965	3.0
95.08595	6.8
97.02889	4.4
97.06527	2.2
98.21481	1.4
98.97590	0.8
103.05467	2.4
111.08074	34.8
112.08448	0.9
115.03936	4.7
117.06996	0.9
119.04957	1.0
120.08083	1.9
121.06512	8.1
123.04389	1.0
129.09117	6.6
133.05005	1.8
133.10150	1.2
137.05978	7.8
139.07532	10.0
143.03432	1.0
147.04402	3.0
149.05952	1.3
157.08603	17.9
167.07132	1.5
169.04968	3.0
171.07944	1.5
172.08736	2.0
173.06006	1.4
175.09650	71.6
176.10068	1.6
177.08015	0.7
179.10641	1.2
181.04941	1.0
183.08025	1.3
187.07376	3.6
199.07420	2.0
201.09039	1.7
207.10106	2.7
216.07761	1.2
216.09937	1.1
216.65356	0.9
225.11185	9.4
229.08615	2.4
243.08777	15.6
243.12291	8.3
244.09543	30.0
244.12039	1.7
245.10260	1.2
253.10715	11.3
257.10358	0.9
271.11752	75.2
272.12082	2.8
293.63391	0.9
357.15421	1.2
377.14185	0.8
378.15320	14.4
379.16077	12.5
403.15973	5.0
421.17169	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42011	1.3
53.03938	2.6
54.27144	1.4
54.27448	1.3
55.01861	3.9
62.28575	1.4
63.26162	1.2
65.03932	5.0
67.05493	3.3
68.99813	1.4
70.78402	3.8
75.04472	6.1
78.04703	6.6
79.05499	3.1
81.03403	1.6
83.04993	1.6
85.02914	3.8
89.03912	1.8
89.05930	1.5
91.05482	19.9
93.03407	17.1
93.07033	8.0
95.04975	9.8
97.06535	2.8
103.05469	9.1
105.03432	1.7
105.06998	2.2
106.03453	2.2
106.04171	45.0
106.04864	2.9
109.06528	1.7
111.04466	1.3
114.29439	1.5
117.03393	3.1
119.04988	2.7
121.06509	44.4
122.07344	1.8
123.04468	2.1
125.05985	11.8
131.04951	2.3
134.03641	3.9
135.04410	1.7
137.05966	7.9
139.07533	4.3
148.05167	1.9
149.05980	58.0
151.03973	2.0
151.07573	3.4
152.08359	1.7
152.62866	1.4
153.05434	3.0
153.09102	16.2
154.06204	7.6
163.07552	4.2
167.07014	14.0
168.07370	2.4
177.05476	35.4
179.07062	2.9
181.05020	11.5
181.08589	40.8
182.09335	1.8
191.07043	1.5
194.06140	1.4
209.08089	100.0
210.08861	11.7
237.11365	1.4
307.99673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01863	10.4
69.60167	13.9
69.60587	23.2
74.98418	5.9
79.05479	13.2
91.05476	8.2
95.04948	11.5
97.06564	7.7
98.20702	10.0
105.07045	14.6
106.07310	7.2
107.04975	18.8
117.07022	7.9
123.04433	17.3
133.06458	11.3
145.06450	8.6
147.04448	6.6
153.05521	12.0
154.06198	5.7
157.06462	6.3
161.05916	11.6
162.06291	12.2
167.03354	15.6
167.07034	100.0
168.07385	40.6
169.07526	12.3
173.06007	12.1
177.05391	7.5
180.07947	6.8
181.04930	48.1
181.08107	11.0
182.05289	17.6
183.06601	7.9
191.07062	11.2
193.08562	9.6
194.08936	8.5
205.08684	6.1
208.05246	9.6
209.08040	7.3
210.08926	9.3
217.08618	8.4
219.06438	7.7
221.08141	8.1
236.04657	7.9
247.09714	12.7
254.05794	8.0
267.06390	6.7
269.08084	19.9
272.06543	7.7
279.06668	7.6
287.15811	5.7
315.08624	81.0
319.09216	6.6
330.10983	100.0
339.12289	7.2
351.12305	12.5
369.13312	10.1
371.14798	7.5
383.15054	10.3
401.16232	10.5
419.16046	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	419.1701
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
53.03941	1.1
55.01870	1.4
57.03381	0.7
65.03651	0.7
65.03941	6.6
67.05486	2.7
69.03410	2.2
69.07048	1.0
70.06590	0.9
70.68481	1.9
71.04965	1.3
79.05489	4.0
81.03403	1.1
81.07056	1.8
82.04188	2.5
83.04936	1.1
85.02911	7.9
87.00825	0.7
91.05490	2.8
93.03387	1.1
93.07040	1.5
95.04954	1.8
95.08615	0.7
97.02866	0.8
97.06524	2.8
100.11238	0.8
102.70581	0.6
103.05455	1.1
105.01855	0.8
105.07018	2.4
107.04953	7.6
107.08585	0.6
108.02100	1.0
109.02837	1.3
109.10153	0.7
110.03683	3.0
111.04417	2.4
115.05467	1.1
121.06474	2.3
123.04449	1.4
125.05969	2.0
127.03906	2.1
128.06213	1.4
129.06970	2.3
131.04912	1.6
131.08551	1.8
133.06519	0.7
137.05971	0.8
138.03079	2.0
142.02617	2.0
143.04872	0.7
144.05647	0.7
145.04884	0.9
145.06480	1.7
147.08035	2.1
148.05089	0.6
149.05974	1.1
152.04677	0.8
153.05440	1.3
153.12769	1.0
157.06448	1.4
159.08090	2.0
160.05212	1.0
161.05971	2.5
166.02600	1.7
167.07033	30.3
168.07333	1.1
171.06546	5.4
173.05971	1.0
174.06775	1.4
175.07556	5.5
177.05479	1.5
181.04951	100.0
181.08463	2.2
182.05350	1.3
187.07542	2.4
188.08302	1.0
189.05420	0.9
189.09100	7.1
191.07030	1.3
203.07018	2.0
203.10657	6.6
204.07845	0.8
205.08530	1.0
206.09264	0.9
207.10150	3.1
209.07932	1.0
212.34277	0.7
215.06979	0.8
219.10135	5.0
220.07393	0.7
221.08034	0.8
221.11696	1.5
235.09642	8.1
247.09680	5.5
262.66483	0.6
265.10751	6.0
269.08218	0.7
287.05542	2.0
301.25363	0.8
303.72079	0.6
341.13852	0.7
351.12265	0.9
369.13232	0.7
389.15918	1.5
401.15952	1.9
419.11252	1.8
419.17230	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	419.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45469	1.0
53.03929	1.8
54.46608	1.1
55.01846	1.7
55.05519	1.0
55.93219	1.0
56.96292	1.4
56.96562	22.2
57.03422	2.4
58.06581	2.0
60.78562	1.0
61.02900	1.6
69.03422	6.3
70.06573	3.4
71.04978	5.1
72.08130	5.5
73.02894	3.4
74.06086	1.8
77.00912	2.6
81.03400	4.7
81.99117	1.2
83.04970	2.2
84.04494	1.8
84.08112	4.1
84.96046	5.7
85.02901	12.7
86.03292	1.7
86.09712	7.0
86.99308	1.4
89.03937	1.4
94.06564	1.3
95.04932	2.0
97.01433	1.2
97.02866	7.8
98.97578	15.2
99.04450	6.8
100.00085	2.9
101.00867	7.5
102.96867	1.7
104.29811	1.2
109.02869	3.3
110.97549	4.0
112.99145	2.0
113.00840	3.2
114.06781	16.8
115.02425	5.9
115.03907	1.5
116.93342	1.2
116.98607	10.1
118.01163	8.6
119.01920	21.3
121.01568	1.1
127.03927	4.7
128.98601	7.3
129.03978	2.9
129.10197	1.9
131.00182	3.0
131.01892	21.3
132.99937	1.4
133.03473	18.1
134.99625	4.1
135.04366	3.4
136.94005	6.7
137.02933	6.2
137.05908	1.2
138.01605	4.3
138.05463	1.8
139.00703	1.4
141.03934	5.5
141.59793	1.2
143.00153	4.0
143.01855	4.9
144.02664	6.9
145.01677	1.8
145.03439	9.3
145.04881	1.5
146.99625	7.5
147.05046	1.9
148.94020	3.1
149.01176	3.3
149.02966	2.8
151.04471	2.0
153.00557	2.0
153.02266	1.3
155.01904	2.8
155.05461	1.8
156.02669	39.0
157.01692	1.7
157.03511	11.6
158.04247	5.9
158.99678	5.7
159.01381	3.4
159.03333	1.5
159.05055	12.9
160.02164	1.2
161.01216	5.6
161.02953	6.2
162.00189	1.3
163.03816	8.8
166.01057	6.3
166.95033	3.8
167.01981	4.5
167.03807	1.9
169.03426	4.6
169.93068	1.2
170.04242	2.8
170.99648	5.2
171.05048	13.3
173.01292	2.5
173.02919	8.1
173.06586	14.1
174.03700	6.3
175.02856	2.2
175.04489	8.5
177.00681	6.5
177.02272	2.1
177.06129	1.9
179.04153	1.9
181.03511	7.2
182.04239	3.0
183.05057	2.4
184.00557	2.6
184.02167	42.7
185.02968	7.7
185.04800	1.1
185.06592	1.7
187.02864	2.7
187.04521	4.8
188.05260	1.5
189.00691	7.1
189.06100	5.7
191.02359	1.7
191.07655	6.3
193.03645	1.3
195.04994	2.5
197.02983	2.4
197.06531	3.3
198.03810	11.0
198.53967	1.7
199.04524	25.0
201.00752	7.5
201.02318	1.4
201.06085	1.8
202.03270	7.2
202.04813	1.5
202.55084	1.5
203.02296	3.5
203.04027	5.1
205.03796	2.4
207.01762	2.7
207.03537	2.0
207.05292	1.4
211.04459	1.9
212.05449	1.5
213.04199	2.4
213.06046	11.8
215.02245	2.4
215.04140	1.7
215.07611	2.8
216.04826	7.1
217.05571	23.7
218.05762	1.7
219.01833	8.6
219.07155	1.8
221.04980	2.6
223.04678	2.0
227.04010	1.7
229.03635	1.8
231.01918	1.4
231.05231	1.4
231.07182	14.8
233.03268	2.9
235.06630	2.9
237.02740	10.5
237.06149	2.2
239.03902	3.4
240.07166	1.8
243.01764	1.9
243.07265	1.3
245.05130	5.6
248.98990	1.5
249.08195	91.6
250.08470	2.7
251.04222	2.0
257.02847	5.1
257.05099	3.1
261.02768	5.3
265.05859	5.0
267.09253	45.0
268.09555	3.3
269.05109	2.0
272.06509	1.8
272.09775	5.0
273.07950	1.9
275.06674	1.3
275.09656	6.9
279.03870	5.0
283.06985	3.1
286.06464	1.3
290.10803	3.4
291.09125	2.3
293.04877	1.5
293.10666	3.8
299.06271	2.3
303.09134	1.9
313.07916	2.0
313.11313	20.0
317.07156	1.5
319.08713	3.5
321.04883	2.4
321.10477	6.7
329.06873	2.3
329.10788	46.4
330.10812	1.6
331.08813	2.1
331.12137	6.5
339.11273	2.6
349.09650	5.1
357.10242	35.1
358.10223	2.1
359.00629	1.6
359.06659	1.8
375.11334	100.0
376.11749	3.4
393.12341	7.1
398.12881	4.2
401.09198	11.7
416.13937	1.4
419.10211	73.1
420.10443	3.7
420.33817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.75322	0.3
53.03950	0.5
55.01874	0.4
57.03432	1.0
59.58743	0.4
61.02923	1.1
65.03928	1.0
67.05476	0.5
68.99795	0.7
69.03405	0.7
69.99287	2.2
71.01379	0.4
73.02918	11.8
79.05493	0.7
85.02884	1.0
85.60307	0.4
95.04943	0.4
97.06510	0.5
105.03376	0.5
107.04942	0.7
111.00755	0.7
111.04449	0.7
121.02870	2.7
135.04373	0.4
137.02359	0.9
138.03120	0.6
147.04416	0.8
153.01842	4.8
157.06500	1.1
165.01837	2.0
167.07027	3.4
170.60689	0.4
175.07533	0.4
181.04951	12.1
183.02898	1.0
185.06020	0.5
189.09126	1.0
203.06821	0.4
203.10654	0.8
213.05443	2.0
219.10153	0.6
231.06664	0.7
235.09685	0.8
241.04921	0.9
247.09669	0.8
258.05261	0.7
262.41779	0.4
265.10596	0.8
287.05493	100.0
288.05832	3.5
292.44394	0.4
387.99075	0.5
409.34085	0.4
419.16684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.46545	0.3
55.01871	0.6
55.05503	0.4
57.03418	0.9
57.07060	0.4
58.06588	0.4
61.02925	1.7
65.03932	0.3
68.99777	0.7
69.03419	1.0
69.07046	0.6
69.38773	2.0
69.39188	0.9
70.06593	1.5
71.01353	0.4
72.08134	0.9
73.02914	9.6
79.05481	0.5
81.03410	0.5
81.07048	1.1
83.04967	0.5
84.04464	0.3
84.08131	0.5
85.02896	1.5
86.09712	2.1
87.00814	0.4
91.05484	0.5
93.07022	0.5
95.04986	0.4
95.08627	0.3
97.02921	0.6
98.21452	0.5
99.08084	0.4
105.01792	0.3
106.59967	0.3
107.04934	1.0
109.02850	0.7
109.06534	0.3
109.10217	0.3
111.00786	0.9
115.03915	0.7
120.08129	0.4
121.02868	3.7
127.03884	1.1
133.02808	0.5
137.02324	1.0
145.06502	0.6
147.04427	0.6
151.07581	0.4
153.01823	3.9
153.12735	0.8
155.14218	0.4
157.06451	0.6
165.01839	1.5
167.07056	1.0
171.13823	0.4
173.75121	0.3
175.07553	0.5
181.04988	1.0
183.02846	0.7
185.05956	0.5
187.07642	0.4
213.05446	1.2
217.15617	0.3
231.06554	0.7
241.04939	0.9
248.83228	0.3
258.05353	0.9
259.06216	0.4
287.05487	100.0
288.05859	2.9
299.05508	1.3
299.10602	0.3
311.05856	0.3
313.07150	0.4
325.07126	0.5
329.06540	1.2
337.06879	0.4
353.06531	1.1
383.07489	1.6
401.08667	0.3
401.13159	0.4
419.09760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
61.02913	1.2
67.84256	0.3
68.99790	0.7
70.03782	1.7
73.02914	9.0
73.84345	0.3
82.11118	0.3
85.02866	0.6
98.21504	0.3
101.15884	0.3
107.04971	0.5
111.00769	0.6
115.03951	0.4
121.02859	2.7
133.02838	0.5
136.07571	0.6
137.02312	1.0
144.47432	0.3
147.04332	0.5
149.35876	0.3
153.01814	3.6
157.06474	0.4
165.01852	1.5
167.07059	0.4
171.04459	0.3
183.02913	0.9
185.05966	0.6
213.05412	1.7
231.06477	0.7
241.04984	0.9
258.05258	1.0
259.05893	0.7
287.05484	100.0
288.05798	3.6
299.05450	0.6
316.15399	0.3
327.10342	0.3
329.06412	0.4
353.06555	0.7
365.06467	0.4
383.07913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61892	0.3
55.01868	0.6
57.03422	0.9
60.30977	0.3
61.02932	1.8
63.76566	0.3
65.03937	0.8
67.05494	0.5
68.99782	0.8
69.03403	0.9
70.30062	1.1
70.30479	0.6
70.44197	0.3
71.01335	0.5
73.02914	12.6
76.71521	0.3
79.05489	1.0
81.03413	0.5
81.07036	0.5
83.04944	0.4
84.08117	0.3
85.02875	1.3
91.05455	1.0
93.03424	0.4
93.07024	0.4
95.04970	0.9
97.02868	0.4
97.06499	0.5
103.05476	0.9
105.03360	0.6
105.07024	2.0
107.04951	0.8
109.02859	0.6
109.06541	0.4
111.00780	0.9
111.04418	1.3
113.51315	0.3
115.03920	1.2
121.02855	4.3
121.06508	1.1
123.04412	0.5
127.03839	0.4
129.06989	0.4
131.04951	0.5
131.39189	0.3
132.05698	0.6
133.02834	0.8
133.06473	1.1
134.03755	0.4
135.04422	0.5
135.11694	0.4
137.02292	1.1
137.05962	0.5
139.03873	1.3
140.91158	0.3
141.06932	0.4
145.06450	0.4
146.03554	0.5
147.04358	0.8
148.05197	0.6
149.05972	0.6
151.86971	0.3
153.01819	5.4
153.12750	0.7
157.06523	0.7
161.06010	1.8
161.85143	0.4
163.03926	0.5
165.01811	2.2
165.05449	0.5
167.07022	2.3
169.04922	0.5
171.06479	1.2
177.05461	1.3
178.06219	1.3
181.04956	3.1
181.11876	0.3
182.05731	0.5
183.02885	1.0
185.05952	0.8
187.07573	0.4
189.12720	0.5
191.06932	0.8
192.07671	0.3
193.08598	3.5
194.05769	0.6
195.06497	1.8
197.08015	0.5
203.10706	0.3
209.08029	2.6
213.05441	1.7
219.10254	0.4
227.09134	1.0
231.06490	0.8
241.04944	1.2
258.05194	1.3
259.05972	0.6
286.04694	0.4
287.05484	100.0
288.05710	3.2
299.05444	3.0
313.07086	1.0
322.97421	0.4
325.07065	1.0
329.06561	1.7
353.06448	2.3
365.06625	1.0
383.07703	3.4
401.08746	1.2
419.09537	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.2
65.03925	4.0
67.05502	4.2
78.04691	3.8
79.05486	5.9
81.07048	7.4
85.02873	2.8
88.56422	2.3
88.56966	2.0
91.05454	3.9
91.27087	2.1
91.44781	2.0
93.07059	3.5
95.04972	7.9
95.08589	6.3
97.06536	3.9
98.20690	3.7
103.05405	2.4
105.07024	9.5
107.04947	5.3
107.08569	5.6
109.06518	2.7
117.07007	7.5
119.08562	7.7
121.10120	3.5
123.04426	7.4
124.05216	3.9
131.08589	3.4
133.10112	4.6
145.06474	11.2
145.10104	4.5
151.11359	2.3
152.04544	3.2
155.05920	4.6
159.11661	2.6
161.13249	15.6
163.14819	3.2
167.07047	100.0
168.07365	4.4
173.05934	15.2
173.13213	2.7
181.04948	38.9
181.25946	2.3
191.07033	4.7
201.16362	6.6
205.08577	3.5
219.17445	9.4
233.08151	6.4
235.09660	5.2
237.18539	12.2
326.11655	2.6
345.20990	2.3
363.21930	2.6
387.14322	15.3
417.15536	23.9
417.20380	4.2
418.15411	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05498	1.6
63.96743	1.2
65.03937	4.1
67.05503	4.3
69.03415	2.0
69.07024	1.1
70.35500	3.4
71.12825	1.1
78.04687	2.1
79.05489	5.0
81.07056	3.5
84.08128	1.8
85.02900	3.7
86.64069	1.2
91.05479	3.4
93.07039	2.7
95.04941	5.8
95.08615	3.0
97.02913	1.7
97.06521	3.1
98.33136	1.2
103.05463	4.1
105.07020	4.5
106.04176	2.0
107.04942	6.4
107.08597	3.5
109.06521	1.9
109.10181	3.0
113.20823	1.2
115.05431	3.1
117.07008	6.5
117.32610	1.2
119.08544	2.2
120.82948	1.3
121.10181	1.9
123.04391	6.0
124.05209	3.9
127.03881	1.6
131.04930	1.8
131.08589	2.1
133.10080	1.2
137.09639	1.8
139.77806	1.0
145.06496	9.5
145.10121	3.9
147.11688	2.2
151.59003	1.2
152.04703	1.9
153.01826	1.4
155.06024	1.7
159.11685	2.3
161.13237	7.6
163.03999	1.5
163.07558	2.1
167.07034	100.0
168.07388	5.5
171.06546	2.2
171.11656	1.3
173.05995	13.7
173.13225	1.3
181.04973	35.9
182.05290	1.4
191.07037	5.5
201.05435	1.5
201.16391	5.0
205.08644	3.3
213.16811	1.2
217.04852	1.2
219.17470	4.7
233.07983	8.2
235.09689	1.8
237.18480	10.9
255.06511	1.8
328.47641	1.2
355.07892	1.5
366.66241	1.3
387.14389	9.9
399.10440	1.6
417.15701	23.1
418.15881	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01867	0.5
65.03939	1.9
67.05491	0.6
68.17294	0.3
70.96489	1.1
78.04717	3.1
79.05482	1.9
81.07064	0.5
82.04191	0.6
83.16389	0.3
85.02891	1.4
91.05484	1.2
93.03364	0.4
94.04171	0.4
95.04961	1.3
96.05650	0.3
97.06519	1.0
103.05469	3.6
105.03401	0.6
105.07008	0.4
106.04153	1.3
107.04959	2.9
110.03628	1.1
111.04433	0.8
115.05448	3.9
117.07022	5.6
118.04170	0.7
123.04436	6.8
124.05215	2.6
125.05969	1.0
127.05450	0.8
127.24039	0.4
131.04942	2.0
134.03635	0.4
137.05959	0.9
138.03098	0.5
142.02650	0.5
143.04927	0.4
145.06476	9.4
147.04372	0.3
147.31123	0.3
148.05167	1.3
151.03889	1.5
152.04659	2.5
153.05460	0.8
155.06000	2.4
163.07483	2.1
167.07036	100.0
167.64474	0.4
168.07388	1.5
171.06522	1.8
173.05981	15.8
173.07494	0.8
174.06371	0.6
175.07478	0.6
176.04707	0.4
181.04953	31.9
182.05273	0.8
187.07542	0.5
190.06259	0.4
191.07028	7.0
193.08308	0.4
201.05418	1.0
205.08601	3.1
208.08543	0.5
217.08588	0.4
231.83185	0.5
233.08073	8.3
235.09636	4.2
263.09183	0.6
281.08270	0.4
303.05035	0.4
323.01416	0.4
329.10190	0.5
383.76443	0.5
387.09341	0.7
387.14355	14.8
388.14728	1.1
417.15427	26.6
418.15869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
53.03939	0.5
55.00181	0.2
55.01849	0.9
65.03934	2.6
66.04701	0.3
67.05485	1.0
69.03413	0.7
69.65113	0.7
69.65536	1.1
74.46674	0.2
78.04709	2.8
79.05482	2.2
81.03403	0.5
81.07065	0.6
82.04171	0.7
85.02898	1.9
89.38171	0.2
91.05463	1.6
93.03392	0.8
94.04166	0.4
95.04969	1.8
96.05701	0.4
97.02885	0.3
97.06511	1.2
102.04671	0.5
103.05458	4.1
104.74803	0.3
105.03357	0.5
105.04482	0.3
105.06990	0.6
106.04166	2.0
107.04951	3.5
108.02090	0.6
109.06525	0.3
110.03652	1.3
111.03249	0.2
111.04470	0.5
111.08072	0.3
115.05445	3.4
117.07012	5.3
118.04148	1.0
119.04932	0.4
121.06492	0.5
122.03653	0.4
123.04421	7.6
124.05215	2.8
125.05968	0.8
127.05414	0.8
128.06142	0.3
130.04146	0.7
131.03978	0.4
131.04901	3.3
132.05669	0.4
133.02808	0.4
133.06490	0.6
134.03639	0.6
135.04379	0.3
135.08038	0.3
137.05975	0.7
138.03081	0.7
140.83246	0.2
142.02615	0.7
143.04863	0.4
144.05731	0.5
145.06480	9.3
145.07628	0.5
147.04243	0.3
147.08015	0.9
148.05188	2.4
149.06018	0.3
151.03886	1.4
152.04715	2.5
153.01811	0.4
153.05417	0.5
155.04945	0.5
155.06042	2.8
159.08124	0.3
161.05959	0.8
163.03851	0.3
163.07518	2.9
167.07028	100.0
168.06064	0.4
168.07343	2.1
171.06561	1.7
173.05974	15.0
174.06390	0.4
175.07510	0.6
176.04637	0.3
181.04947	34.1
182.05293	0.4
187.07491	0.4
191.07013	10.9
193.08650	0.4
195.06523	0.9
201.05437	0.9
203.07059	0.4
205.08553	3.2
207.06458	0.3
207.10097	0.3
209.08130	0.5
217.08563	0.4
219.10179	0.6
221.08090	0.4
233.08081	8.0
235.07536	0.5
235.09647	3.7
263.06866	0.3
263.09323	0.5
279.09991	0.2
311.09183	0.3
323.09100	0.3
325.10370	0.3
355.11795	0.3
367.11966	0.4
369.13266	0.4
381.13589	0.4
387.14365	12.9
388.14493	0.5
399.14554	0.7
417.15430	24.8
418.15863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02379	0.2
53.03936	0.3
55.01860	0.4
57.03372	0.2
60.43250	0.2
65.03926	1.0
65.91315	0.2
67.05486	0.4
67.11823	0.2
69.03398	0.4
69.94913	1.1
73.76595	0.2
78.04709	2.5
79.05494	1.2
81.03419	0.2
81.07038	0.3
82.04195	0.4
85.02890	0.7
86.09736	0.2
91.05473	1.0
91.53907	0.2
93.03392	0.4
95.04955	1.1
96.05724	0.3
97.06524	0.4
103.05459	1.2
105.07013	0.4
106.04147	1.5
107.04956	1.4
108.02104	0.4
109.06507	0.2
110.03645	0.6
111.04449	0.3
115.05437	3.4
117.07015	5.5
119.08578	0.3
122.03638	0.4
123.04420	7.6
124.05214	2.4
125.05938	0.4
126.70074	0.2
127.05428	0.7
128.06184	0.2
131.04890	0.2
133.06462	0.3
134.03615	0.4
135.04399	0.4
137.06001	0.4
138.03090	0.6
142.02611	0.3
143.04915	0.4
145.06477	8.9
146.06821	0.3
147.08006	0.6
151.03891	1.3
152.04669	2.2
153.05446	0.4
155.04848	0.3
155.06021	2.5
161.06026	0.2
167.07028	100.0
168.07367	2.0
171.06512	1.2
173.05972	16.2
174.06322	0.4
175.07484	0.6
181.04947	19.2
182.05347	0.5
191.06970	0.2
194.03038	0.2
201.05473	0.7
201.16476	0.2
203.07179	0.2
203.61549	0.2
205.08607	3.3
207.10016	0.2
233.08072	7.8
234.08444	0.3
235.09660	3.5
237.18468	0.2
280.07346	0.2
357.18170	0.2
387.14355	13.8
388.14737	0.6
417.15421	28.9
418.15485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03942	0.5
55.01854	0.6
65.03944	1.6
67.05486	0.6
67.15628	0.2
69.03420	0.4
70.54479	0.2
70.54807	0.9
78.04700	2.3
79.05499	1.6
81.03419	0.5
81.07056	0.4
83.04987	0.3
85.02888	1.1
91.05480	1.4
93.03397	0.7
95.04971	1.6
97.06516	0.7
98.94936	0.2
100.47892	0.2
103.05471	1.6
105.07055	1.2
106.04190	1.4
107.04951	3.3
109.02881	0.3
109.06472	0.2
110.03657	0.8
111.04457	0.4
115.05457	3.6
117.07011	5.0
117.27254	0.2
118.04132	0.4
119.04891	0.3
119.08564	0.4
119.74709	0.2
122.03633	0.2
123.03559	0.3
123.04424	6.3
124.05191	2.5
125.06001	0.6
127.05430	0.7
128.06221	0.3
131.04919	1.8
131.60095	0.3
132.05731	1.1
132.14760	0.2
133.06493	1.1
134.03609	0.6
135.04413	0.6
137.05977	0.8
138.03096	0.5
139.03891	0.4
142.02603	0.5
143.04938	0.6
144.05721	0.3
145.06482	7.8
146.06831	0.3
147.04323	0.2
147.08104	0.3
148.05176	0.7
151.03918	1.5
152.04669	2.1
153.01770	0.2
153.05453	0.8
154.06317	0.3
155.06013	2.2
155.07106	0.3
160.05206	0.4
161.05974	2.2
163.07535	0.7
165.05469	0.6
167.07031	100.0
168.07385	1.9
171.06487	1.2
173.05977	15.6
175.07533	0.5
177.05510	0.4
179.06960	0.3
180.07808	0.9
181.04950	25.6
182.05310	0.6
182.09428	0.4
183.06602	0.3
187.07497	0.4
187.14752	0.2
189.05469	0.3
190.06293	0.3
191.07027	2.6
192.07790	0.8
193.08565	0.9
195.06586	0.5
201.05449	0.8
203.07034	0.4
205.08603	3.7
207.06561	0.3
210.08824	0.6
217.08575	0.7
219.06447	0.3
219.10165	0.4
221.08080	0.7
222.42963	0.2
227.43211	0.3
233.05780	0.5
233.08069	8.3
235.07455	0.5
235.09639	4.1
255.06549	0.7
266.11279	0.2
293.08209	0.2
323.09140	0.3
329.10345	0.3
354.11374	0.3
367.07913	1.3
369.13281	0.3
381.13376	0.3
387.14374	14.6
388.14813	0.6
399.14661	0.6
417.15457	28.9
418.15866	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02374	0.4
52.33232	0.3
53.03938	0.5
55.01866	0.9
63.58982	0.3
65.03931	2.4
67.05479	1.0
69.03416	0.5
70.06624	0.3
70.36213	1.0
74.40447	0.3
78.04704	3.4
79.05484	2.4
81.07047	0.6
82.04176	0.8
85.02886	1.3
86.38209	0.3
91.05463	1.5
93.03381	0.7
94.04160	0.4
95.04950	1.3
97.02852	0.4
97.06516	1.0
100.11244	0.5
103.05463	2.2
105.06995	0.5
106.04174	1.7
107.04961	4.8
108.02106	0.4
110.03647	0.9
111.04427	0.8
112.46140	0.4
115.05451	3.2
117.07007	5.5
118.04152	0.5
122.03629	0.5
123.04426	6.1
124.05223	3.1
125.05972	1.0
127.05430	0.9
130.04109	0.4
131.04924	1.1
133.06450	0.6
133.71608	0.3
134.03581	0.5
137.05956	0.7
138.03091	0.5
142.02608	0.6
144.05650	0.4
145.06483	8.2
148.05197	0.8
151.03909	1.4
152.04677	1.9
153.05443	0.7
155.06000	2.3
161.05989	0.6
163.07539	1.5
165.05493	0.5
167.07031	100.0
168.07416	2.1
171.06493	1.6
173.05984	14.8
175.07539	0.6
181.04947	33.3
182.05286	1.0
182.15350	0.4
191.07036	4.9
195.06561	0.8
201.05476	1.0
205.08585	3.7
207.10176	0.4
217.08539	0.6
221.08136	0.4
233.08063	7.4
234.08566	0.5
235.09653	3.3
241.08493	0.7
325.10620	0.3
329.10306	1.5
379.37457	0.4
381.13449	0.7
387.14383	11.4
388.14810	1.1
399.14368	1.5
417.15417	26.3
418.15903	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	416.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59762	2.9
53.99314	2.6
55.01864	4.5
55.05520	3.7
61.01154	3.8
64.38915	2.7
66.77075	2.7
67.05502	6.2
69.38337	25.4
69.38751	7.5
71.05028	3.0
77.00638	6.2
79.05483	11.5
81.07049	8.3
83.08611	2.8
85.06550	5.8
91.05469	16.2
93.07052	11.7
95.08609	3.3
97.02828	3.1
97.06531	5.3
98.21548	6.4
105.07034	25.9
107.04970	4.1
107.08604	8.2
109.06515	2.7
109.10124	3.2
115.05472	4.4
117.07015	10.6
119.08591	12.1
119.19946	3.8
121.06500	5.0
123.04429	6.2
128.06244	10.7
129.06999	12.7
131.08568	39.4
133.10147	6.1
141.06987	7.3
142.07780	28.3
143.08548	45.5
144.09390	3.5
145.06499	13.9
145.10123	14.8
147.08066	3.1
147.11688	3.4
153.01799	7.4
153.06990	8.7
154.07826	4.7
154.48351	2.9
155.08546	17.8
156.09258	3.9
157.10129	84.7
158.10861	3.8
159.08049	10.2
159.11703	18.1
161.06003	3.9
161.09622	4.3
167.07014	47.0
167.08444	5.1
168.09329	35.1
169.10114	13.2
171.08011	6.2
171.11719	5.6
173.05998	8.6
173.09581	4.6
173.13292	12.1
175.05727	3.3
175.11215	18.7
181.04951	17.9
181.10138	10.5
183.11690	90.1
184.12439	4.5
185.13286	12.4
187.11201	11.5
189.09103	7.3
191.06924	6.6
199.11211	8.8
201.12717	36.6
205.10667	2.9
211.11197	11.6
215.08931	7.9
218.88629	3.1
219.13777	3.1
227.10753	3.2
229.10439	6.2
229.12247	100.0
231.42387	3.6
247.11154	5.3
247.13326	10.1
275.10980	21.0
281.12137	4.2
293.12024	14.9
303.10559	4.7
320.54050	2.9
321.11618	32.7
353.14221	7.5
387.14481	5.1
417.15350	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	415.2325
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
50.63029	4.4
53.03950	7.5
55.05499	7.7
56.03550	4.4
56.96551	5.6
57.03432	10.8
61.02887	5.5
61.18335	4.7
67.05500	9.9
69.03419	18.4
69.07061	9.3
70.06259	5.0
70.06596	59.0
71.04973	5.7
71.63612	5.3
72.08162	27.9
72.97326	4.3
73.02937	7.3
73.04752	5.5
75.04472	7.4
77.37792	4.4
79.05474	9.9
81.03407	10.0
81.07059	55.9
83.08620	5.3
84.08141	13.1
85.02906	46.5
86.09690	16.1
91.05469	17.1
93.07043	27.0
95.04934	12.1
95.08611	34.4
97.02880	18.3
97.06486	5.3
98.97569	4.7
100.91135	4.7
102.05491	4.3
105.07025	51.3
107.04942	7.3
107.08611	24.4
109.02873	7.6
109.06492	10.3
109.10147	12.2
110.07155	5.7
111.04455	5.7
116.07059	9.3
117.06963	5.5
118.17363	4.3
119.04916	18.8
119.08584	35.6
121.06465	7.7
121.10142	19.7
123.08079	13.9
123.46806	5.3
127.03910	15.3
129.06947	4.7
129.10190	6.5
131.08568	14.6
133.10139	24.7
135.11700	8.0
137.05968	5.8
142.07831	6.9
143.08533	15.8
145.04968	11.4
145.10072	10.2
147.04408	46.2
147.11662	19.9
148.04732	16.7
149.13225	10.8
151.03918	11.5
157.10118	29.1
159.11700	90.0
161.09599	10.5
161.13229	43.5
163.03873	13.2
163.14850	6.3
171.11673	5.2
173.09242	21.7
173.13293	9.0
175.11122	8.7
175.14774	10.8
177.12788	23.0
189.16377	27.7
199.14819	48.3
201.08559	6.5
217.15883	94.9
235.09615	6.8
235.16928	100.0
236.16974	5.7
253.17960	24.7
257.10553	5.0
333.38776	5.0
334.11960	7.2
344.97879	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	415.2322
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
55.01850	4.0
55.05504	8.6
57.03429	5.8
57.76587	2.3
58.06590	10.5
61.02917	5.9
67.05499	11.3
69.03429	17.8
69.07063	7.8
70.04888	13.5
70.06581	18.8
71.04982	8.3
72.08150	25.6
73.02901	3.1
75.04481	3.0
79.05488	17.7
81.03413	8.8
81.07053	69.1
83.04967	4.9
84.04507	2.8
84.08134	6.3
85.02898	36.3
86.09696	29.4
91.05431	15.0
93.07030	16.6
95.04960	12.4
95.08590	25.9
95.50747	2.4
97.02898	10.9
97.06509	20.7
99.04432	4.0
105.07023	34.8
107.04964	6.1
107.08599	31.3
109.02847	6.7
109.06533	13.6
109.10149	10.0
111.08054	3.1
115.05407	4.3
116.07088	7.6
117.07005	8.1
119.04967	2.8
119.08582	23.8
120.08107	4.6
121.06537	7.8
121.10126	17.4
123.08068	6.0
127.03886	13.7
129.07027	5.8
131.08569	11.7
133.06410	2.6
133.10139	16.0
135.04448	5.0
135.11699	9.2
137.02322	3.7
137.09613	8.6
142.07825	5.0
143.08563	8.1
145.04965	5.7
145.06546	3.3
145.10115	11.4
147.04424	5.5
147.11690	11.1
149.05920	3.6
149.09601	5.9
149.13234	4.6
153.01808	10.0
155.10686	3.9
157.10127	21.7
159.11681	67.4
161.05951	2.8
161.09634	11.6
161.13249	31.3
163.03792	3.2
163.11234	2.6
165.01712	2.6
171.11568	3.8
173.13239	4.9
175.11201	5.7
175.14833	6.5
177.12679	18.0
179.03419	7.5
179.10680	2.5
181.04961	3.1
183.11327	3.6
189.16364	16.8
192.39389	3.0
199.14832	26.4
201.12502	3.3
207.02896	4.7
215.14000	6.9
217.15855	100.0
219.17284	5.5
233.15489	2.8
235.16913	71.9
241.15891	3.7
253.07013	5.2
253.17955	22.1
257.95688	2.4
261.04001	4.3
269.08023	2.8
289.03223	3.5
297.07608	3.1
315.08539	5.3
325.07095	7.7
327.05020	6.6
339.08731	2.6
341.10159	3.3
343.08121	4.7
353.06412	4.6
369.09964	3.2
371.07513	6.3
379.21219	4.9
397.09286	4.5
415.10245	24.0
415.18597	3.3
415.23376	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	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
53.68571	1.0
55.01876	1.8
55.05511	3.8
56.05030	1.9
57.03424	2.2
57.07071	1.2
58.06598	100.0
59.05008	1.7
59.06936	1.5
60.04519	4.0
61.02916	2.9
64.69225	1.2
67.05499	4.2
68.99794	1.1
69.03419	10.0
69.07061	3.7
70.06592	10.1
70.41816	2.8
70.42209	2.2
71.04974	3.3
72.08147	8.4
73.02897	1.0
73.06551	4.5
74.06105	1.9
78.81323	1.0
79.05511	5.3
81.03407	5.1
81.07058	19.0
83.04992	2.6
83.08624	1.4
84.04498	3.8
84.08129	9.7
85.02901	22.6
85.06499	1.1
86.09704	10.3
87.04449	1.0
91.05450	7.9
93.07033	9.8
95.04955	5.5
95.08609	13.9
97.02883	8.3
97.06539	2.9
98.20685	1.1
99.04462	1.4
102.05550	2.3
105.07021	14.4
107.04992	1.1
107.08591	10.1
109.02876	4.5
109.06513	6.7
109.10169	9.5
111.08093	2.3
112.54221	1.3
115.08640	1.0
117.07018	4.0
119.08593	12.8
121.06505	3.4
121.10151	5.2
123.08069	2.2
127.03939	5.6
127.07526	1.3
129.10225	8.8
130.06689	1.1
131.08568	4.8
133.10139	9.2
135.08081	2.0
135.11711	4.6
137.05978	7.9
137.09621	2.3
139.07550	1.3
142.07753	1.8
143.08591	3.3
145.04974	4.2
145.10123	3.7
147.07991	1.4
147.11684	6.3
149.09593	3.2
149.11745	2.1
149.13243	2.0
151.03918	4.1
153.09120	2.3
156.09245	1.3
157.10098	9.0
159.11673	26.4
161.09633	3.2
161.13225	9.1
165.07085	1.1
167.07072	2.9
167.08553	1.3
167.10670	3.9
171.07924	1.3
171.11598	1.7
173.13245	1.2
175.07462	1.2
175.14847	5.6
176.48024	1.2
177.12720	8.9
179.07094	5.9
181.04955	2.3
183.11398	1.8
189.16335	7.2
195.04439	2.4
195.08176	1.5
199.07498	1.4
199.14815	4.9
203.06599	1.0
207.08035	2.0
217.15886	17.2
221.06058	2.0
222.06509	1.6
223.07561	4.1
227.06996	5.0
235.07602	2.8
235.16928	28.4
236.04636	1.6
237.09181	1.4
238.06282	2.6
239.07004	1.7
240.07765	1.1
251.07019	6.1
252.07669	1.6
253.05046	1.5
253.08546	4.7
253.17981	83.7
254.18314	2.4
266.05612	1.2
268.07278	4.7
269.08011	3.1
271.09482	1.3
278.08264	1.4
279.06516	9.4
280.07062	1.5
281.05038	1.1
281.08041	14.9
283.09808	1.3
295.09528	2.3
296.06812	7.1
296.09647	1.1
297.07416	1.6
306.07770	2.4
311.09116	68.2
312.09506	5.0
313.10751	9.2
338.10327	2.5
356.14932	26.2
358.16534	1.5
370.12875	10.3
383.15891	1.6
409.08618	1.2
415.13757	2.1
415.18735	29.3
416.16983	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	415.2326
Annotation	Dictamnoside L
Peak:m/z	Relative Intensity
53.03949	12.8
55.01868	14.6
55.05517	32.8
57.03430	25.4
58.06596	16.7
61.02919	13.3
64.65475	5.7
65.31001	6.7
67.05502	32.7
69.03431	73.0
69.07063	16.0
70.06593	48.5
70.15117	20.0
70.15521	17.4
71.04990	12.3
72.08156	15.3
73.02905	16.5
75.09647	5.9
79.05486	28.2
81.03433	38.3
81.07054	64.2
83.04986	37.2
84.08141	25.1
85.02905	100.0
85.06513	7.5
86.09700	28.8
91.05450	45.3
93.07037	40.3
95.04996	31.8
95.08595	41.6
97.02896	44.6
99.04467	13.1
103.03949	14.1
105.07023	63.0
106.51926	7.4
107.04962	12.6
107.08571	34.1
109.02875	30.8
109.06541	29.0
109.10160	23.8
111.08097	8.1
115.03917	8.9
117.07010	26.0
119.04948	54.6
119.08588	69.2
121.06522	16.4
121.10141	28.2
123.04418	8.0
123.08065	28.5
124.05194	53.7
125.09657	10.5
127.03918	29.3
128.06235	14.2
129.07025	14.1
129.10258	9.2
131.04947	13.8
131.08566	48.9
132.04460	8.6
133.10121	44.9
135.11725	17.5
137.05952	83.4
137.06792	7.5
137.09595	18.8
142.07687	9.3
143.08554	38.5
145.04982	11.9
145.06500	13.8
145.10129	37.3
147.04410	43.3
147.08055	18.9
147.11719	18.7
149.06013	9.7
149.09653	8.2
151.07533	22.1
152.08276	15.7
155.08511	23.0
157.04953	15.5
157.10078	43.7
159.07993	10.7
159.11700	67.8
161.09682	18.4
161.13272	22.1
163.07527	8.9
164.04657	7.7
167.07121	8.6
167.08553	13.3
169.10210	16.0
171.11650	18.8
173.09581	6.8
173.13275	24.6
175.11226	9.2
175.14844	22.0
177.12758	22.5
179.07042	56.8
180.07817	43.9
181.10175	7.8
183.11661	20.9
185.09750	10.8
185.13274	23.0
187.11156	12.1
189.16342	13.1
197.13313	30.3
199.14838	27.7
200.78679	7.1
201.12715	12.2
203.14391	12.1
211.14955	11.2
213.16331	10.7
215.14310	18.7
217.15933	26.3
223.07640	8.6
223.14882	13.0
233.15445	16.6
235.16945	31.7
239.42107	8.5
241.15912	17.9
245.15398	13.1
247.86057	6.3
253.10667	15.7
253.17970	59.4
259.16885	14.9
265.10773	10.1
311.09061	30.9
317.09097	7.4
341.11499	7.6
343.19003	18.5
344.20020	8.1
356.14102	29.6
361.20087	30.0
379.21216	53.2
397.22150	48.5
398.22113	9.2
415.17346	12.2
415.22653	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	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01841	1.2
55.05490	0.9
64.69950	0.6
67.05489	1.4
69.07051	1.0
71.81225	0.6
79.05483	7.7
81.07037	2.0
83.08607	0.6
91.05456	5.1
93.05939	0.6
93.07024	1.1
95.04938	1.8
95.08602	1.8
103.05460	5.4
104.06239	1.0
105.07021	25.0
106.07269	0.8
107.04939	3.1
107.08606	0.8
109.06538	0.9
109.10143	1.3
115.05453	2.1
117.06969	1.2
118.04137	3.9
119.04918	0.8
119.08557	4.1
120.05723	1.2
121.06496	2.8
122.07253	2.4
124.05188	1.4
131.04944	1.1
131.08540	1.0
131.38754	0.7
132.05649	1.1
133.06482	20.7
134.07243	1.4
135.04420	1.6
135.08023	2.5
135.11745	0.6
137.05957	6.9
145.06476	0.8
145.10092	0.7
147.08034	1.8
148.05159	1.2
149.05965	0.9
150.06760	8.2
151.07407	0.9
157.10146	0.7
159.08041	0.8
159.11714	0.6
161.06039	0.7
165.09100	17.4
165.10493	1.1
166.09398	1.0
167.07091	0.8
175.07545	5.3
178.06184	1.4
179.10643	1.2
181.08597	0.9
189.09071	0.9
190.09827	3.4
191.07031	2.1
193.08591	100.0
194.08954	2.9
205.08591	2.4
206.09355	6.0
207.10121	4.1
209.11757	1.1
211.94012	0.6
221.11745	2.3
222.12489	3.8
229.93816	0.7
237.11284	2.2
284.02539	0.7
383.18591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01856	1.0
55.05496	2.4
56.05016	1.6
56.96556	1.0
57.03429	2.2
58.06595	50.7
60.04510	3.6
61.02918	1.9
67.05500	2.5
68.99788	1.0
69.03418	7.1
69.07055	2.1
70.06580	7.4
70.15949	4.1
71.04967	2.3
72.08136	4.8
73.06557	1.0
76.72655	0.8
76.81166	0.8
79.05483	2.3
81.03405	2.2
81.07040	7.1
83.04956	1.5
84.04488	2.2
84.08153	5.8
85.02904	12.6
86.09695	5.8
87.04456	1.4
91.05463	8.4
93.07024	4.0
95.04958	3.6
95.08605	5.8
95.12677	0.8
97.02880	3.7
97.06494	1.2
98.67286	0.8
99.03816	0.8
99.04436	1.3
102.04821	0.7
103.05388	0.9
105.07030	6.2
107.08588	3.6
109.02877	1.1
109.06523	3.4
109.10143	3.9
117.07028	1.0
119.08584	5.1
121.06448	1.8
121.10143	2.8
122.84371	0.8
123.08052	2.2
127.03864	4.4
128.06197	0.9
129.06946	1.0
129.10214	3.7
131.08539	3.0
133.10143	4.4
135.08032	1.5
135.11700	2.1
137.05980	2.4
137.09634	1.2
139.07576	0.9
143.08540	1.3
145.04970	1.8
145.10135	1.9
147.11684	2.5
149.09602	2.4
149.13269	1.3
151.03900	3.8
153.09103	2.1
157.10147	4.3
159.11667	9.6
161.09682	1.1
161.13229	6.4
165.06950	1.1
167.07118	1.3
167.08508	1.6
167.10643	2.8
171.08090	0.9
175.14790	1.9
177.12753	2.1
179.07018	1.5
181.04967	1.4
189.16391	2.7
195.04382	2.0
195.08073	2.1
199.07494	2.6
199.14714	1.7
211.35718	0.9
217.15863	11.3
221.05963	1.5
222.06844	0.9
223.07526	5.2
225.05551	1.3
225.09161	1.0
227.07004	9.6
235.07556	1.5
235.16916	17.0
236.04698	2.2
237.02974	1.1
238.06311	1.6
239.06967	1.7
240.07820	1.3
250.06332	1.7
251.07034	10.8
253.04961	3.8
253.08643	1.9
253.10976	1.3
253.17963	40.2
254.08751	0.9
255.10239	1.4
264.04126	1.2
264.37640	0.9
267.09958	0.9
268.07309	8.2
269.07971	3.0
278.05450	1.0
278.08258	1.7
279.06519	9.7
281.04520	1.4
281.08020	2.3
283.09735	2.2
293.10370	1.6
295.09698	0.9
296.06757	10.2
297.07025	1.4
307.49988	1.0
311.09097	100.0
312.09338	4.4
313.10770	1.4
352.11932	1.6
356.14911	43.5
370.12830	13.9
371.12836	1.0
386.95380	0.9
415.13654	1.2
415.18710	19.5
415.23767	0.8
416.17401	1.5
428.89441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	20.8
57.03428	12.4
61.02919	8.2
69.03413	17.7
70.06580	8.1
71.04974	5.2
71.64165	6.3
73.02897	6.6
81.03429	6.8
84.96053	4.7
85.02911	44.7
91.03935	4.9
91.05463	4.3
97.02895	14.5
98.97580	36.6
99.04458	4.2
110.97589	6.0
112.99139	18.8
116.98637	16.3
119.01905	5.2
127.03918	10.8
128.98602	11.5
131.00186	24.3
131.57077	4.7
143.00102	5.9
143.01901	6.1
145.04974	5.7
146.99640	8.8
149.01212	10.3
149.10907	4.0
152.05682	5.1
158.99686	14.7
159.11647	8.0
161.02925	8.3
170.99677	5.3
173.02893	5.0
177.00658	10.9
182.10757	4.2
189.00703	8.2
193.03787	10.1
201.00812	8.1
211.04840	6.8
219.01813	13.1
235.04924	34.6
235.08890	8.7
237.02856	18.0
244.09566	7.2
245.05026	9.5
253.03625	5.5
253.05965	12.9
265.05966	8.4
279.03897	6.1
294.06085	5.5
334.12656	8.7
373.04443	9.8
415.09952	100.0
415.14951	8.1
416.10519	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	413.3776
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05518	2.8
57.07065	5.3
63.85746	1.2
67.05489	5.1
69.07069	8.6
70.83218	3.5
71.08622	4.5
79.05487	7.9
81.07053	15.4
83.04975	7.5
83.08598	3.7
85.10169	3.8
91.05482	3.6
93.07024	4.6
95.04981	1.6
95.08602	9.7
97.06526	91.7
97.10161	2.5
98.06863	1.2
105.07027	4.5
107.04896	1.2
107.08573	3.9
109.06512	100.0
109.10135	4.9
110.06768	1.6
111.11698	1.6
119.08581	3.7
121.10140	3.4
123.08067	11.1
123.11720	2.4
131.08521	1.6
133.10109	2.8
135.11725	1.6
137.13252	1.6
143.08556	1.9
145.10095	3.3
147.11684	1.6
149.13205	1.6
151.14786	1.3
159.11661	4.2
161.13245	2.4
163.11049	1.9
173.13297	2.5
177.12778	2.1
178.05855	1.1
185.13100	1.9
187.14774	1.3
191.14178	1.3
191.69562	1.1
215.17935	1.5
218.19331	1.3
220.24565	1.3
231.17554	1.2
241.19496	2.5
255.21185	1.9
345.40125	1.4
354.49753	1.2
395.36746	7.1
413.37732	67.2
414.38248	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	413.217
Annotation	CHEBI:69893
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	0.9
55.05511	1.4
56.05025	1.1
57.03432	1.5
57.07071	0.5
58.06582	0.6
60.43897	0.3
65.03953	0.5
66.35282	0.4
66.91979	0.4
67.05512	2.5
68.52570	0.4
69.03428	4.7
69.07064	0.5
70.06588	1.6
70.78683	0.8
70.79074	0.8
71.01333	0.5
71.04990	1.3
72.08163	0.6
73.02916	0.7
74.06068	2.5
75.04487	0.7
77.10995	0.4
77.71141	0.3
79.05485	2.4
81.03409	1.0
81.07057	7.7
83.04980	1.1
84.04507	0.6
84.08153	0.7
85.02907	6.4
85.06544	2.6
86.09701	0.5
87.04453	0.7
89.03902	0.5
91.03949	0.5
91.05470	3.2
93.07040	3.8
95.04964	3.0
95.08616	2.6
97.02883	3.1
97.06523	1.1
98.97627	0.4
99.04486	1.0
102.04901	0.4
102.05534	1.4
103.03921	0.5
105.07023	6.0
107.04955	0.8
107.08595	4.8
109.02872	0.9
109.06525	2.1
109.10143	1.2
111.04466	1.0
115.05454	0.4
117.07053	1.9
117.59487	0.4
119.03568	2.3
119.04900	0.8
119.08584	4.6
120.06586	8.4
120.08030	0.5
121.06479	1.3
121.10141	1.6
123.04424	0.6
123.08080	1.0
125.05947	0.7
127.03904	2.1
128.06218	0.6
129.07010	1.1
131.08554	5.4
133.10138	3.7
135.04395	1.2
135.08035	1.5
135.11661	0.9
136.06184	100.0
137.04576	1.6
137.05675	0.6
137.06531	1.4
137.09590	0.6
139.03841	0.7
141.06935	0.7
142.07762	1.4
143.08588	1.9
144.09332	0.9
145.02820	0.7
145.04903	0.6
145.06497	0.4
145.10107	5.6
147.04420	1.5
147.08058	1.2
147.11659	3.5
149.09599	1.5
150.05467	1.0
151.03906	0.8
151.05777	0.6
151.11130	0.5
153.09166	0.6
155.08517	1.2
156.09338	0.7
157.04915	0.4
157.10114	5.4
158.10786	0.5
159.08081	2.2
159.10464	0.7
159.11696	8.7
161.09596	1.0
161.13199	1.1
162.04112	62.1
163.03821	3.9
163.11206	0.8
164.07103	0.7
165.09148	0.7
167.08566	0.6
169.10094	1.0
171.11618	0.9
173.09676	2.6
173.13298	2.7
175.11183	8.2
176.07013	0.4
177.05452	0.9
177.12766	1.1
182.10867	0.8
185.09616	0.6
185.13316	0.6
186.05602	0.6
187.11098	0.6
187.14804	4.9
189.12749	1.5
191.14296	1.0
193.12253	1.0
197.13287	2.1
199.10989	0.4
200.11992	0.5
201.12759	0.6
203.03337	0.5
203.14233	0.4
204.06529	1.0
205.15883	0.6
213.12671	0.9
215.14323	19.6
216.14685	0.7
217.12173	0.4
217.15843	1.6
220.06120	0.4
221.06354	0.7
222.07634	0.9
231.13776	0.5
233.15367	36.9
234.15694	0.8
235.16965	1.5
237.47728	0.4
251.16435	6.6
268.10336	0.7
281.09927	47.2
282.10153	1.6
293.17511	0.7
359.18402	0.5
377.19638	0.5
395.20654	1.9
413.13959	4.9
413.21844	6.1
414.14471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
52.33609	1.6
53.03933	4.2
55.01859	2.9
55.05505	2.2
57.03416	5.7
61.02925	14.3
66.83799	1.2
67.05489	4.6
68.42870	1.2
69.03072	2.1
69.03429	28.2
69.07052	2.3
70.24521	7.1
71.04980	4.0
71.64630	1.5
73.02906	6.4
73.47906	1.3
76.80216	1.2
79.05482	10.3
81.03410	12.3
81.07055	17.2
83.01337	1.8
83.04965	1.6
85.02902	78.9
87.04456	6.1
91.03954	6.8
91.05459	9.1
93.07040	9.7
95.04959	4.2
95.08598	8.7
97.02893	25.2
99.04435	5.9
105.07024	25.9
107.04909	1.6
107.08586	29.5
109.02891	7.7
109.06535	3.8
109.10168	2.0
111.04448	3.7
117.07013	7.0
119.08592	14.2
121.06512	2.1
121.10116	6.6
127.03913	18.6
128.06134	1.6
129.07011	3.8
131.08568	14.6
133.04950	1.4
133.06493	1.9
133.10109	5.9
135.08104	1.9
142.07748	2.3
143.08577	6.7
145.04948	20.1
145.10117	17.8
147.08083	3.2
147.11687	5.2
152.47601	1.6
155.08562	16.8
156.09206	2.8
157.10132	12.1
159.08069	5.4
159.11676	26.9
159.36678	1.4
161.13254	45.0
163.05980	4.5
167.08653	2.1
169.08788	2.0
169.10109	9.8
171.11685	4.8
173.04541	1.4
173.09650	6.9
173.13263	5.2
175.11223	4.2
182.10915	6.2
185.13263	6.3
187.14812	15.2
197.13290	15.1
199.14809	2.3
201.12837	2.2
203.14346	9.4
215.14310	64.2
216.14757	1.8
233.15359	100.0
234.15654	1.8
251.16435	37.1
305.17444	2.8
366.03806	1.5
377.19595	2.2
395.20572	1.3
413.21790	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	413.2168
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
50.72977	0.4
53.03931	0.6
53.34330	0.4
53.66128	0.4
55.01862	0.6
55.05503	0.5
57.03440	2.1
58.06563	0.6
59.03691	0.4
59.04996	0.7
61.02917	1.2
65.03951	0.5
67.05489	2.0
69.03423	3.5
69.07056	0.8
69.74585	0.8
69.74999	2.0
70.06593	3.0
70.06921	0.6
71.04987	1.0
72.08137	0.7
73.02901	0.4
75.04462	1.1
79.05487	2.7
81.03403	1.8
81.07039	4.4
83.04949	1.8
84.04503	0.4
84.08128	1.2
85.02900	5.8
85.06530	0.5
86.09689	1.2
87.04453	0.6
91.05482	3.7
93.07026	3.0
95.04965	2.6
95.08589	2.1
97.02877	1.8
97.06557	0.6
98.97556	0.5
99.04436	1.6
102.73283	0.4
105.07027	7.3
107.08574	4.3
109.02873	0.9
109.06497	1.2
109.10142	1.2
111.04419	0.8
115.05393	0.5
116.07080	0.5
117.07016	5.5
119.04939	0.7
119.08571	5.2
121.06492	0.6
121.10134	1.4
123.11696	0.5
127.03885	1.5
128.06171	0.7
129.06984	2.4
130.07762	1.2
131.08562	9.9
133.06470	0.5
133.10150	2.7
135.08047	1.0
135.11694	1.0
137.09555	0.7
142.07788	1.7
143.08574	1.4
144.09341	4.4
145.04982	1.0
145.06531	0.8
145.10129	4.8
147.04420	1.2
147.08035	0.8
147.11652	1.6
149.09615	0.7
151.07536	0.5
151.11179	1.1
155.08563	1.1
157.10123	5.2
159.08041	0.9
159.11685	25.6
161.09561	1.0
161.13268	0.9
163.03929	0.5
169.10091	0.7
171.11722	0.6
173.09630	1.8
173.13281	1.1
175.08633	0.6
175.11142	2.4
177.05449	1.1
177.09039	0.5
177.12727	1.4
182.10793	0.6
185.09424	0.4
187.11424	0.5
187.14825	2.6
189.12720	1.4
197.13243	1.7
203.14262	0.6
207.13739	0.7
215.14279	6.7
233.15350	100.0
234.15637	2.7
235.16885	2.8
247.33583	0.5
251.16394	7.3
310.10840	0.4
321.09970	1.0
339.11188	2.2
352.14978	1.4
354.13434	4.3
355.13699	0.7
377.19598	0.7
395.20367	0.6
403.07272	0.5
413.16840	1.7
413.21783	2.1
414.15396	0.8
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	Pterodontoside B
Peak:m/z	Relative Intensity
53.03960	4.6
55.01868	3.5
55.05504	3.0
56.80614	1.0
57.03428	4.7
57.85661	0.8
58.62816	0.8
61.02920	11.1
65.42748	0.8
67.05499	3.8
69.03426	27.8
69.07043	1.3
70.43422	3.1
71.04995	2.1
73.02902	4.7
79.05489	14.8
81.03416	10.8
81.07054	12.6
81.64001	1.0
83.01340	1.0
83.04963	2.7
85.02902	55.8
87.04477	5.2
91.03959	3.7
91.05467	9.4
93.07063	5.6
95.04960	3.0
95.08603	8.8
97.02895	20.7
98.20841	0.9
99.04444	3.8
99.72057	0.9
105.06365	1.6
105.07030	20.4
107.04971	1.0
107.08592	45.1
108.08916	1.1
109.02900	5.7
109.06526	2.6
109.10157	3.4
111.04443	6.1
117.07007	3.8
119.08578	11.9
121.06487	1.6
121.10127	10.3
125.05956	1.0
127.03918	15.3
128.06206	1.5
129.07013	2.5
130.07721	1.0
131.08578	11.7
133.04984	0.9
133.06494	1.1
133.10118	4.0
135.08028	1.7
135.11630	1.0
139.07587	1.2
141.06947	2.1
142.07768	2.9
143.08551	8.6
144.09315	1.7
145.04959	14.9
145.06223	1.1
145.06526	0.9
145.10101	15.9
147.08040	3.3
147.11682	2.6
153.06992	1.2
155.08557	16.2
156.09381	2.4
157.10103	7.5
159.08058	5.6
159.11693	25.1
161.09653	1.5
161.13246	27.2
163.06024	1.4
167.08575	3.3
168.09393	1.9
169.10110	8.3
171.11696	4.9
173.09612	5.6
173.13281	3.8
175.11200	2.0
177.09079	1.4
182.10927	10.1
185.13272	5.1
187.11255	2.0
187.14845	11.0
197.13266	16.4
201.12817	0.9
202.13475	1.5
203.14320	6.3
215.14313	57.0
217.15819	1.3
233.15356	100.0
234.15720	1.0
251.16415	36.9
309.90192	0.8
413.21729	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	413.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52747	0.4
53.03933	0.7
55.05527	0.5
57.03426	1.1
58.06593	0.9
59.19008	0.4
60.04520	0.7
67.05477	0.5
69.03436	2.2
69.07048	1.0
70.06587	3.0
70.76674	0.4
71.04971	0.5
71.63071	0.6
79.05482	0.6
81.03426	0.8
81.07050	1.6
83.04967	0.5
83.08629	0.7
84.04496	0.5
84.08126	0.9
85.02901	3.0
86.09697	0.9
87.04436	0.5
91.05479	1.2
93.07046	0.9
95.04975	1.2
95.08613	1.1
97.02892	1.4
97.06551	0.5
101.00883	0.5
105.07012	1.9
107.04977	0.6
107.08608	1.3
109.06499	0.6
109.10164	0.9
119.04935	0.6
119.08572	1.4
121.06490	0.5
121.10203	0.6
127.03911	0.8
129.10246	0.6
131.04936	0.5
131.08525	1.0
133.10126	1.3
135.11664	0.5
136.06131	0.6
136.07593	0.9
137.06004	0.8
138.71077	0.5
143.08545	0.6
145.10117	1.3
147.11664	0.7
155.08545	0.7
157.10100	1.5
159.08028	0.7
159.11717	1.6
161.02982	0.7
162.03035	0.6
173.13284	0.7
175.08678	0.5
175.11174	1.3
177.05434	2.4
187.14836	0.6
189.12735	0.9
203.05298	1.9
207.10054	0.5
215.14339	2.6
217.12326	0.5
233.15326	5.0
233.17108	0.4
250.08768	0.9
251.09349	0.5
251.16455	0.9
263.09393	0.6
268.09735	1.8
278.08182	1.8
280.09662	0.6
291.09027	0.9
292.09729	1.6
293.10397	2.8
293.15704	0.5
294.11151	0.5
296.09174	5.5
306.07635	3.0
308.09351	0.9
310.10870	1.4
317.17639	0.5
320.09338	0.5
321.09924	6.7
322.10544	1.3
323.11569	1.2
324.08643	2.4
338.13852	1.1
339.11005	24.0
340.11517	1.3
354.13342	51.8
355.13715	2.4
413.16919	13.8
413.21542	100.0
414.17078	1.6
414.21979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2168
Annotation	(+)-Ixerin H
Peak:m/z	Relative Intensity
52.94875	0.6
52.95132	0.5
53.03936	0.8
55.01870	0.5
55.05505	0.9
57.03418	2.2
60.21406	0.5
61.02906	0.7
65.48136	0.6
65.87899	0.4
67.05483	1.4
69.03419	3.8
69.07059	0.7
69.95112	2.6
70.06573	0.8
71.04982	0.7
73.02925	0.6
75.04464	1.0
79.05495	2.4
80.05982	0.5
81.03397	2.1
81.07052	6.9
83.04976	1.5
85.02901	6.9
87.04492	0.8
91.05482	3.3
93.07025	4.8
95.04955	1.9
95.08593	4.0
97.02873	2.2
97.06501	1.0
99.04431	1.2
105.07027	9.4
107.08587	5.9
109.02870	1.4
109.06521	0.9
109.10138	1.4
111.08071	0.6
115.05428	0.6
117.07018	4.5
119.08579	6.0
121.06527	1.0
121.10121	1.8
123.08032	1.2
123.09521	0.5
127.03897	1.7
129.07002	2.4
130.07751	0.9
131.08574	9.3
133.06442	0.7
133.10124	4.2
135.08040	1.6
135.11658	1.4
137.09613	0.9
137.44594	0.5
142.07735	1.7
143.08525	1.5
144.09323	4.2
145.04903	1.0
145.06490	0.8
145.10104	6.6
147.04382	0.9
147.08009	1.2
147.11661	2.1
149.09586	1.2
149.13260	0.7
153.09061	1.0
155.08490	0.9
156.09369	0.7
157.10133	7.2
159.08055	1.5
159.11691	24.7
161.09583	1.6
161.13300	1.1
163.07507	0.8
163.11079	0.7
167.10706	0.7
169.10031	0.8
171.11697	1.4
173.09586	2.1
173.13237	2.3
175.11176	6.1
177.05525	0.6
177.09158	0.7
177.12744	2.4
182.10880	0.9
185.13188	0.5
187.11249	0.7
187.14816	4.0
189.12738	2.0
191.14287	0.8
192.04172	0.5
197.13187	1.7
205.12216	0.5
205.15828	1.2
207.13814	3.0
213.12747	0.9
215.14320	9.1
217.15845	1.0
231.13914	0.6
233.15350	100.0
234.15721	2.0
235.16960	1.9
251.13818	0.8
251.16414	14.8
267.74100	0.5
326.51285	0.7
395.20642	0.8
413.16797	0.5
413.21677	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	413.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52747	0.4
53.03933	0.7
55.05527	0.5
57.03426	1.1
58.06593	0.9
59.19008	0.4
60.04520	0.7
67.05477	0.5
69.03436	2.2
69.07048	1.0
70.06587	3.0
70.76674	0.4
71.04971	0.5
71.63071	0.6
79.05482	0.6
81.03426	0.8
81.07050	1.6
83.04967	0.5
83.08629	0.7
84.04496	0.5
84.08126	0.9
85.02901	3.0
86.09697	0.9
87.04436	0.5
91.05479	1.2
93.07046	0.9
95.04975	1.2
95.08613	1.1
97.02892	1.4
97.06551	0.5
101.00883	0.5
105.07012	1.9
107.04977	0.6
107.08608	1.3
109.06499	0.6
109.10164	0.9
119.04935	0.6
119.08572	1.4
121.06490	0.5
121.10203	0.6
127.03911	0.8
129.10246	0.6
131.04936	0.5
131.08525	1.0
133.10126	1.3
135.11664	0.5
136.06131	0.6
136.07593	0.9
137.06004	0.8
138.71077	0.5
143.08545	0.6
145.10117	1.3
147.11664	0.7
155.08545	0.7
157.10100	1.5
159.08028	0.7
159.11717	1.6
161.02982	0.7
162.03035	0.6
173.13284	0.7
175.08678	0.5
175.11174	1.3
177.05434	2.4
187.14836	0.6
189.12735	0.9
203.05298	1.9
207.10054	0.5
215.14339	2.6
217.12326	0.5
233.15326	5.0
233.17108	0.4
250.08768	0.9
251.09349	0.5
251.16455	0.9
263.09393	0.6
268.09735	1.8
278.08182	1.8
280.09662	0.6
291.09027	0.9
292.09729	1.6
293.10397	2.8
293.15704	0.5
294.11151	0.5
296.09174	5.5
306.07635	3.0
308.09351	0.9
310.10870	1.4
317.17639	0.5
320.09338	0.5
321.09924	6.7
322.10544	1.3
323.11569	1.2
324.08643	2.4
338.13852	1.1
339.11005	24.0
340.11517	1.3
354.13342	51.8
355.13715	2.4
413.16919	13.8
413.21542	100.0
414.17078	1.6
414.21979	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
57.02725	4.1
57.03433	22.6
61.02897	6.2
63.87940	3.8
65.03942	3.7
67.05507	6.6
69.03422	77.3
70.06586	8.4
71.04990	5.3
71.63649	4.6
71.64041	8.5
73.02917	5.2
78.58618	3.8
79.05506	5.9
81.03407	8.9
81.07051	4.3
83.04956	5.0
84.58286	4.4
85.02900	92.3
85.03368	8.1
86.09704	9.3
87.04470	51.3
91.05481	5.9
93.07062	5.4
97.02882	58.6
97.06554	4.8
99.04431	6.8
104.10793	5.0
105.01888	4.5
107.08631	5.4
109.02935	7.2
115.03931	100.0
115.04742	5.4
119.84542	4.4
127.03913	17.8
133.04961	85.0
135.08020	5.0
141.06961	4.6
145.04935	25.8
149.09688	5.1
150.07655	12.1
152.05695	14.4
163.06023	12.4
167.10719	4.2
173.05846	6.2
250.14500	4.9
251.16400	6.2
263.14868	6.7
264.94705	4.2
322.10947	7.8
336.12225	5.2
338.10281	4.6
412.13962	19.3
412.20358	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05501	5.1
57.03439	25.8
58.06569	5.2
59.04998	7.1
65.50986	3.8
69.03425	81.8
70.06583	8.2
70.34142	13.1
70.34550	7.1
71.05011	8.7
73.02931	5.6
79.05491	5.5
81.03404	8.7
81.07056	5.8
83.08631	4.3
85.02899	89.1
86.09709	9.7
87.04455	46.9
91.05468	6.2
97.02887	73.7
97.06507	7.2
99.04495	3.9
109.02888	9.2
115.03929	92.7
125.14284	3.5
127.03905	19.5
133.04964	100.0
145.04955	28.7
149.05908	4.5
149.09619	5.8
150.07628	9.4
152.05658	9.5
163.06024	12.0
167.10762	4.4
177.05431	5.0
188.08278	8.0
288.07275	4.8
317.85895	4.9
412.20279	6.8
413.21545	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	410.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05486	0.6
68.05031	3.7
69.03419	7.1
70.06589	36.8
70.73032	1.2
70.73416	1.4
79.05494	1.7
80.05006	1.3
81.07031	1.2
83.08640	0.6
86.06066	6.8
87.04463	27.6
91.05470	2.3
93.07029	1.9
98.06050	96.9
99.06399	0.7
105.07017	5.0
106.34132	0.6
107.08598	2.0
116.07083	100.0
117.06952	0.7
119.08560	2.4
126.05470	0.7
128.06209	0.6
129.07034	0.8
131.08578	3.1
133.10057	1.0
138.05524	0.9
142.07791	1.3
143.08528	2.1
145.10136	1.7
147.11684	0.9
149.13228	1.2
151.11177	0.6
152.51266	0.6
155.08545	0.8
157.10143	3.3
159.08046	1.0
159.11688	3.2
165.84943	0.7
166.08704	0.8
168.09273	0.8
169.10069	0.6
171.11743	0.7
173.13159	1.5
175.11211	2.1
183.11707	3.7
185.13258	3.5
187.11212	0.8
189.12744	0.6
200.14455	0.8
201.12752	2.5
217.12247	2.8
229.12262	2.6
245.14139	1.8
246.14998	1.1
247.13283	1.0
286.18021	0.7
292.15433	1.2
314.17612	0.7
332.18552	10.3
350.19592	13.4
352.17853	0.6
392.20297	0.6
410.21719	25.4
411.22070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05511	1.5
57.03460	0.7
60.04215	1.1
60.04523	18.6
66.75871	0.7
67.05515	1.0
68.76240	0.9
69.03410	1.5
69.76688	2.2
69.77101	3.8
70.02934	1.6
70.06584	2.8
71.04996	1.1
72.04514	38.2
74.06081	1.1
79.05488	2.6
81.07061	2.7
84.04449	0.8
85.02966	1.0
85.06533	1.1
87.04477	1.1
88.03989	7.4
90.05552	28.7
91.05470	5.5
93.07035	2.6
95.05003	1.2
95.08602	1.0
97.02916	0.8
97.06532	2.9
98.06059	2.5
98.21455	1.1
100.03969	1.0
105.07020	10.6
107.08588	3.6
107.96974	0.9
109.02874	1.0
115.05496	1.1
116.03428	0.9
116.07118	2.2
117.06925	1.9
118.05014	100.0
119.08596	4.7
121.06503	1.1
121.10178	1.6
128.06262	1.6
129.07005	2.8
131.08566	6.8
132.08028	1.0
133.10110	3.0
137.05981	1.4
141.07010	1.2
142.07771	3.5
143.08548	7.5
145.06511	0.9
145.10136	4.1
147.08043	1.1
147.11685	3.0
155.08566	1.7
157.10123	6.5
159.08083	1.6
159.11707	4.4
161.09627	1.2
165.05498	1.2
168.06572	1.2
168.09351	1.8
171.11700	3.3
173.13275	1.8
175.11203	5.3
177.09174	1.2
183.11685	5.9
184.11876	0.8
185.13263	10.8
186.13634	1.7
187.11211	2.6
187.13983	1.2
189.12791	2.9
190.08546	1.1
192.10213	0.8
195.10397	0.9
199.11194	1.5
201.12744	3.5
203.14204	1.2
214.07098	2.3
217.12263	11.8
229.12239	6.5
230.12253	0.9
235.13231	1.9
247.13379	2.4
248.12985	1.1
266.10190	1.6
282.13416	1.1
288.15884	2.8
294.13077	1.4
306.16959	6.5
308.19043	1.1
316.15356	1.3
329.32910	0.9
334.16647	4.3
340.15805	1.3
352.17511	11.7
412.19217	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.9
55.05497	39.7
57.07067	55.1
67.05508	20.5
67.96416	10.6
68.33546	10.5
69.07066	94.1
71.08621	69.2
71.64290	15.8
71.64635	19.9
79.05493	13.7
81.07051	37.1
83.08614	71.1
85.10188	23.9
86.09687	15.4
93.07050	33.5
95.08607	48.0
96.73615	11.4
97.10164	48.8
105.07023	26.5
107.08592	30.8
109.10161	17.1
111.11706	33.4
119.08503	12.0
123.11693	11.9
125.02332	60.4
127.03910	52.0
131.08536	20.9
133.10153	17.5
149.09613	19.2
152.33076	13.2
169.08615	17.9
177.09126	31.5
179.39427	14.4
181.08597	14.1
195.10243	26.8
373.30923	40.8
391.32040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05266	1.5
55.05510	17.6
57.07079	11.1
65.03930	1.5
67.05502	33.7
69.07066	51.7
70.17681	3.9
70.89047	0.9
71.08630	2.1
79.05492	18.6
81.07055	95.2
82.11462	0.8
83.08146	1.1
83.08624	20.5
85.10187	1.2
91.05470	15.7
92.17761	0.9
93.07046	39.8
95.04969	4.3
95.08604	92.0
96.22272	0.9
97.10173	8.5
103.05444	1.3
105.07030	35.2
106.07381	1.1
107.08593	53.2
109.06520	1.4
109.10153	66.4
111.11723	4.4
117.07011	3.6
119.08583	37.6
119.09458	1.3
121.06490	1.8
121.10145	47.3
123.08070	2.5
123.10811	2.1
123.11708	38.9
125.13261	1.9
129.07014	2.0
131.08559	11.8
132.09276	0.9
133.10124	26.6
135.08092	1.2
135.11693	31.0
137.13252	24.4
143.08572	3.8
145.10115	17.5
147.11687	27.7
149.13263	24.4
151.07526	1.8
151.14792	3.7
155.08492	1.3
157.10124	5.7
158.10945	1.3
159.11702	18.7
161.09613	1.0
161.13254	19.0
163.11136	1.1
163.14819	17.5
165.09099	2.6
165.16386	2.0
169.10147	1.1
171.11664	2.9
173.11896	1.5
173.13272	13.4
174.13858	1.0
175.11272	0.9
175.14848	16.8
177.16373	13.3
179.17923	1.3
183.11649	1.3
185.13232	3.3
187.14810	7.6
189.16393	11.9
191.17966	10.4
193.19495	1.0
199.14825	2.5
201.16411	7.0
203.14337	2.1
203.17961	14.2
205.19539	7.3
213.16412	3.1
215.17935	7.3
217.19540	13.3
219.21260	2.0
221.15332	4.3
227.17868	1.5
229.19438	7.0
231.21075	7.6
234.16107	1.0
241.19531	2.3
243.21042	4.5
245.22705	4.3
255.21075	2.5
257.22681	5.9
259.24237	4.0
269.22595	1.8
271.24170	9.0
273.25821	2.5
283.24155	1.9
285.25809	7.5
297.25616	2.0
299.27353	3.7
301.28775	1.0
311.27292	1.9
313.28928	1.5
325.28989	2.9
327.30429	3.7
339.30511	2.9
349.24432	2.8
353.31992	4.0
367.33493	1.9
409.27142	7.4
409.38293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51155	1.9
53.03942	4.7
55.01859	3.6
55.05507	20.6
56.09362	1.8
56.16832	1.6
57.07067	6.9
59.05003	3.2
63.90495	1.5
65.03934	3.0
66.70663	1.5
67.05500	28.4
69.03426	10.1
69.07053	10.7
69.46983	6.9
69.47417	10.1
70.43126	1.6
79.05494	26.3
81.03434	2.9
81.07053	40.4
83.04967	5.0
83.08611	5.0
85.06525	4.4
91.04889	2.5
91.05475	48.8
93.07037	60.0
95.04965	49.2
95.08600	46.3
97.06518	11.7
97.60734	1.8
103.05472	4.7
105.04510	2.8
105.07027	100.0
107.08593	34.8
109.06504	12.5
109.10155	18.1
110.66726	1.6
111.08047	3.4
115.05471	3.9
117.07005	13.3
119.04972	2.2
119.08581	72.2
121.06488	18.1
121.10127	20.8
123.08073	19.8
123.11720	7.3
125.06082	1.9
128.06209	6.9
129.06992	7.1
130.07841	3.6
131.08562	26.2
133.06499	3.6
133.10136	23.6
135.08073	15.8
135.11699	8.8
137.05975	3.2
137.09628	12.4
141.06967	4.2
142.07768	12.4
143.08543	15.1
144.09331	3.6
145.06482	3.9
145.10110	41.9
147.08037	16.5
147.11694	37.6
148.11983	1.8
149.09618	11.7
149.13304	7.6
151.07556	24.4
153.09100	2.1
154.07777	2.5
155.08499	10.3
156.09351	5.1
157.10121	22.7
158.10660	2.5
159.08064	3.8
159.11696	17.3
161.09583	12.1
161.13260	9.6
163.11159	8.8
163.14803	3.2
163.51309	1.8
165.09108	29.3
167.08565	3.2
168.09337	5.8
169.10133	15.2
170.10857	1.8
171.11656	9.6
173.09602	5.3
173.11984	2.1
173.13226	11.7
174.10301	3.4
175.11183	25.1
175.14801	4.8
177.09190	3.4
177.16370	4.3
178.09946	2.0
179.08594	2.5
181.10139	6.4
182.10904	2.2
183.11713	14.1
185.13266	7.8
187.11172	5.3
187.14806	6.9
189.12724	8.1
189.16386	5.0
191.14285	3.7
191.17966	2.9
195.11688	5.0
196.12485	4.8
197.13336	4.4
199.11282	4.5
199.14856	2.8
201.12738	10.8
201.16370	3.3
203.14333	18.0
203.18033	4.3
205.15816	4.7
207.12029	2.3
207.13705	9.1
209.13376	3.9
209.15273	3.8
211.11298	3.3
211.14827	9.5
213.12759	3.1
213.16400	3.0
215.14282	3.9
215.17955	2.3
217.19623	2.0
219.13831	4.0
221.15347	75.2
222.15857	2.1
223.14877	2.9
225.16397	3.0
227.17807	2.8
229.15961	9.3
231.13777	3.8
233.13231	2.4
233.15401	4.9
234.16158	14.5
235.14751	2.6
281.18884	2.1
286.19287	4.1
287.20074	8.8
295.24170	2.7
300.20782	4.4
313.25134	2.4
329.21155	6.5
335.20154	2.1
391.26251	6.4
391.33746	2.5
409.15204	1.9
409.27347	52.7
409.34448	7.3
409.39001	3.0
410.28036	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	409.2733
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03936	3.2
55.01861	2.7
55.05510	16.7
57.03429	1.1
57.07074	5.7
59.04988	3.8
65.03922	2.8
65.49172	1.0
67.05498	17.1
69.03425	8.6
69.07062	7.0
71.04984	2.8
71.65685	1.2
77.02930	0.9
79.05043	1.6
79.05486	20.0
80.07644	0.9
81.03408	1.9
81.07052	29.6
83.04970	4.1
83.08607	1.5
85.06522	4.1
91.05474	40.2
93.07043	46.6
95.04962	53.9
95.08598	26.4
97.06532	7.4
103.05464	4.3
105.07022	100.0
106.07316	1.6
107.04938	2.4
107.08593	22.4
108.05706	1.1
109.06523	12.3
109.10152	7.7
111.08094	2.9
112.49442	1.0
114.73225	0.9
115.05443	3.5
116.06218	1.8
116.92355	1.1
117.07010	13.2
119.04964	2.4
119.08574	64.1
120.08772	1.2
120.09524	1.1
121.06507	15.7
121.10145	13.5
123.08066	18.6
123.11704	1.3
125.06024	1.9
125.09642	1.1
128.06219	5.0
129.06984	8.8
130.07755	5.2
131.08566	20.2
132.09306	1.3
133.06464	4.6
133.10130	20.3
135.08051	16.9
135.11702	3.6
137.05969	2.4
137.09624	10.4
141.06940	3.0
142.07780	11.7
143.08553	14.3
144.09267	1.9
145.06483	2.4
145.10112	36.7
146.07317	1.2
146.10733	1.6
147.08029	17.6
147.11679	39.9
149.09608	12.3
151.07526	18.2
153.07021	2.6
153.09077	2.3
154.07813	1.5
155.08556	8.2
156.09370	3.9
157.10120	22.1
158.10933	1.1
159.08047	6.8
159.11679	13.5
160.08855	1.4
161.09608	8.1
161.13187	4.7
163.07565	1.5
163.11174	4.4
165.09100	37.4
166.09415	1.3
167.08569	2.8
167.10753	1.3
168.09367	4.2
169.10129	10.1
170.10838	2.8
171.11676	7.5
173.09647	6.1
173.13228	6.9
174.10333	1.1
175.11180	29.0
175.14771	1.9
177.09122	3.9
178.09863	2.5
179.08522	2.5
180.09332	1.6
181.10153	3.8
181.12212	2.1
182.10843	2.7
183.11674	8.7
185.09605	2.4
185.13205	6.4
187.11157	3.0
187.14909	2.0
189.12746	6.1
191.14308	2.7
193.10138	2.2
194.10857	1.9
195.11713	4.0
196.12544	1.0
197.13348	3.1
199.11186	3.7
199.14813	2.8
201.12758	7.3
201.16476	2.4
203.14285	16.5
207.11909	2.3
207.13831	8.1
209.13210	2.5
209.15259	1.7
211.11121	1.7
211.14832	4.4
213.12724	3.1
214.13518	1.2
215.14333	2.7
216.15071	1.7
219.13786	5.5
221.13425	2.2
221.15347	65.3
222.15736	1.7
223.14909	1.3
225.16406	1.8
227.14352	1.3
229.15933	5.1
231.13737	2.9
233.13222	2.1
233.15233	1.9
234.13853	1.5
234.16122	16.8
235.14783	1.7
239.14339	1.7
251.17830	1.2
253.15797	2.6
255.17441	1.3
267.17462	1.2
271.17062	1.4
286.19308	4.5
287.20023	7.3
299.20056	1.7
300.20789	3.9
316.92578	1.2
329.21088	3.8
391.26254	3.8
409.27328	32.1
410.27563	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01865	3.2
55.05507	19.2
56.67747	2.0
57.03429	2.3
57.07059	6.6
59.40633	1.6
64.13655	1.5
65.03936	3.1
67.05500	24.0
69.03424	7.0
69.07059	8.3
79.05486	24.0
80.37054	1.6
81.07053	36.5
83.04984	4.5
83.08620	3.9
85.06510	2.1
91.05476	42.6
93.07040	50.6
95.04966	50.6
95.08598	30.3
97.06538	9.5
97.78737	1.4
103.05441	3.0
103.96039	1.6
105.07024	100.0
107.04930	3.2
107.08583	28.6
109.06520	14.9
109.10154	10.2
111.08099	2.1
115.05446	4.0
116.06246	2.6
117.06995	16.2
119.04942	1.6
119.08574	68.9
121.06503	17.9
121.10117	17.1
123.08061	18.8
125.09667	2.2
128.06198	5.3
129.07005	12.7
130.07787	4.8
131.08569	22.4
132.09361	2.0
133.06520	4.5
133.10115	23.3
135.08078	14.2
135.11685	5.3
137.09657	7.7
141.06975	2.6
142.07742	16.4
143.08540	18.8
143.09549	2.1
144.09334	6.5
145.06465	3.7
145.10112	39.2
146.10847	2.4
147.08037	18.3
147.11676	37.1
149.02341	4.4
149.09633	13.3
150.10294	1.8
151.07521	18.6
153.07092	2.0
153.09140	2.2
155.08546	10.3
156.09326	7.6
156.13570	1.6
157.10117	23.7
158.10912	1.9
159.08072	5.6
159.11696	15.0
160.08748	2.5
161.09602	8.9
161.13234	3.6
162.10252	1.5
163.11212	4.5
163.95839	1.5
165.07004	2.6
165.09103	29.0
165.12875	1.9
167.03377	9.9
167.08575	4.8
168.09386	4.5
169.10112	12.5
170.10909	4.4
171.07993	2.0
171.11667	13.8
173.09618	7.5
173.13245	8.6
175.11166	24.7
177.09129	5.4
179.08582	2.9
181.10181	6.2
182.10913	2.5
183.11674	12.3
185.09579	2.8
185.13261	5.5
187.11099	4.1
187.14796	3.7
189.12766	5.2
191.14375	1.8
195.11676	5.9
196.12512	3.0
197.13239	4.5
199.11137	3.9
199.14780	2.8
201.12750	8.7
201.16359	2.0
203.14294	14.6
207.11752	3.7
207.13800	7.1
209.13254	3.7
209.15265	3.3
211.14856	5.2
213.12862	2.9
215.14336	3.8
219.13773	3.3
221.13358	2.8
221.15343	61.4
223.14786	3.3
225.16559	2.2
229.15910	5.8
230.66739	2.4
231.13834	3.6
233.15314	3.6
234.16153	13.9
235.14783	2.2
239.14291	2.1
267.17230	1.9
271.17023	2.3
281.18912	1.7
285.07672	4.5
286.19373	2.2
287.19989	6.5
300.20782	3.4
313.21506	2.0
329.21185	5.5
370.48679	1.6
391.26236	5.9
391.43802	1.6
408.11816	1.9
409.12463	12.1
409.27371	41.5
410.13321	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01859	2.6
55.05512	18.2
57.07063	4.9
57.36699	1.8
59.04985	2.8
67.05501	27.0
68.21619	1.8
69.03420	7.4
69.07064	6.1
70.89288	6.0
71.33286	1.9
79.05505	19.1
81.07059	34.4
83.04984	4.0
83.08599	2.3
85.06541	3.3
86.60030	1.9
91.05479	39.9
93.07042	45.8
93.13194	1.9
95.04971	51.1
95.08611	28.2
97.06543	8.5
103.05475	2.9
105.07030	100.0
107.08596	25.9
107.28352	1.8
108.31641	2.1
109.06538	9.8
109.10162	11.0
111.08096	4.4
115.05464	4.2
117.07016	11.4
118.64026	1.7
119.04945	3.3
119.08582	61.6
121.06479	13.6
121.10146	10.5
123.08094	15.0
128.06218	5.9
129.07011	6.9
130.07793	5.8
131.08578	22.8
133.06473	4.4
133.10135	12.8
135.08051	14.6
135.11694	6.1
136.37036	2.0
137.09618	8.2
141.06966	4.2
142.07787	12.4
143.08586	14.4
144.09401	3.1
145.06433	2.6
145.10136	36.8
147.08057	16.5
147.11691	41.4
149.09637	11.2
151.07561	21.4
155.08543	7.7
156.09340	5.9
157.10129	20.4
159.08067	6.0
159.11684	15.7
161.09621	8.5
161.13255	4.9
163.11143	4.0
165.09102	29.2
167.08504	2.4
168.09393	4.3
169.10165	7.7
170.10861	2.1
171.11682	6.6
173.09621	6.5
173.11888	1.9
173.13313	6.8
175.11169	30.1
175.14856	2.3
176.11555	2.3
177.09114	4.2
179.08527	3.3
181.10101	5.2
182.10872	2.9
183.11681	7.2
185.13239	6.6
187.11284	2.4
187.14769	3.6
189.12793	6.1
195.11652	5.9
196.12428	3.0
197.13281	3.8
199.11174	2.6
201.12791	7.3
201.16403	3.1
203.14352	10.0
207.13766	8.4
209.13301	4.2
209.15282	2.5
211.14839	5.0
215.14606	2.0
219.13744	5.6
221.15372	72.2
222.15666	2.4
229.15849	5.0
233.15349	3.8
234.16228	16.2
286.19180	3.8
287.20044	6.4
300.21069	3.4
329.21130	5.8
391.26038	2.8
409.27328	34.6
410.27420	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	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	5.0
65.53806	2.0
65.63591	2.2
71.05756	2.2
71.44270	4.1
85.02907	3.7
97.02885	4.8
98.97584	9.0
101.00890	3.1
112.99117	4.3
113.00878	2.3
116.98623	4.3
119.01925	9.8
128.98627	2.8
129.03909	2.4
131.00203	3.2
131.01906	8.3
133.03471	4.0
138.05536	19.0
143.00179	2.7
143.01927	11.5
145.03456	6.8
149.60291	2.3
155.01901	6.1
156.87241	2.5
157.03477	3.2
161.01747	3.1
161.02951	14.0
161.10928	2.5
169.03462	8.8
173.01381	2.8
173.03003	9.6
175.02814	3.8
185.02910	5.5
187.04532	6.9
199.00966	2.7
211.02818	2.4
217.01981	3.9
219.01730	3.1
221.05048	3.6
229.05605	5.5
231.03493	3.0
237.02762	5.5
237.56750	8.1
238.20102	2.4
245.05037	4.2
247.06734	3.1
249.04526	2.8
265.05902	3.3
283.06873	2.7
289.04028	8.3
289.07376	4.6
291.09299	6.0
301.04095	3.1
307.05164	10.1
321.10251	4.8
337.08038	3.9
349.09207	3.6
409.11093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05483	1.5
56.96562	41.4
57.03438	2.3
58.06586	2.7
61.02898	3.0
62.11947	1.5
69.03432	8.2
69.84144	12.3
70.06589	5.9
70.98131	4.7
73.02916	9.2
74.58144	1.6
74.97613	2.2
84.04502	2.5
84.08130	4.7
84.96017	6.0
85.02905	10.8
87.04458	2.1
88.99171	2.3
97.02880	12.1
98.21472	3.8
98.97581	100.0
101.00900	2.2
109.02921	1.9
110.97571	9.1
112.99108	2.0
115.03957	3.3
116.98623	72.5
119.01923	8.0
120.08080	3.1
127.03947	3.9
128.78517	1.6
128.98598	18.0
131.00201	4.6
131.01909	5.6
133.03487	2.8
134.99649	27.1
135.00647	2.3
136.06163	2.3
137.06030	4.1
140.00209	4.2
143.00188	6.2
143.01875	8.5
144.98106	3.2
145.01659	3.4
145.04968	1.8
146.99623	17.6
147.03313	3.5
147.04349	4.4
149.01253	5.1
149.06587	2.1
152.98560	2.3
153.00706	2.5
155.01909	5.6
157.01689	2.1
157.03494	2.1
158.01292	2.3
158.99658	29.7
159.03276	2.6
161.01294	9.7
161.02849	11.0
163.02734	3.8
163.03918	5.4
165.00731	4.0
165.04329	4.5
170.99683	9.5
171.01219	2.1
173.01352	3.4
173.02957	9.5
173.06619	2.9
174.99225	2.1
175.02834	3.5
176.99153	3.1
177.00706	50.3
177.02174	3.1
185.01270	4.7
185.06593	6.2
189.00842	8.3
189.02438	4.1
189.04272	10.9
191.02281	2.3
193.00226	3.5
193.03905	1.9
195.01793	4.6
199.08131	2.1
200.02325	4.7
201.00702	5.0
201.02472	5.2
203.02309	7.2
203.07704	4.0
205.00148	2.1
205.03856	2.8
207.01807	5.2
207.05394	2.9
215.10658	1.9
217.03688	2.5
219.01765	25.5
219.03636	2.9
219.05344	2.8
221.03244	3.1
221.05165	5.4
223.04797	2.7
228.30646	1.8
231.05386	2.4
233.03380	4.2
237.00444	3.4
237.02812	50.8
242.03447	2.8
244.04991	1.8
247.01224	17.3
247.04913	4.5
255.04121	2.9
260.04263	2.2
261.02765	3.0
265.02280	5.1
265.05750	4.8
268.05649	2.6
270.02771	2.6
275.09799	4.1
277.05927	2.2
279.03949	9.3
283.07056	3.3
289.02280	7.8
291.04608	3.2
291.07507	23.7
293.10977	10.9
295.07031	4.9
301.03983	3.0
307.03186	2.5
309.08563	63.7
321.05084	3.3
332.10269	7.4
334.07346	3.9
349.07980	5.7
365.12790	11.0
367.08878	4.1
388.41263	2.0
391.08990	21.1
409.10178	28.5
409.15173	2.7
409.21982	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	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87865	0.5
55.01860	0.8
57.03439	0.9
58.06589	0.5
61.02914	0.6
62.06082	0.5
67.25954	0.6
67.91525	0.4
69.03407	1.9
70.06583	2.6
71.04962	0.8
71.64371	0.7
72.08144	1.6
79.05482	1.4
81.03403	1.4
81.07053	0.6
83.04958	1.0
84.04493	0.6
84.08122	2.0
85.02905	4.2
86.09681	2.0
91.05468	0.8
93.07018	1.6
95.04964	1.2
97.02868	2.1
103.05473	1.1
103.88507	0.5
105.07013	1.3
107.04982	1.2
107.08576	0.6
109.02868	0.9
119.08557	0.8
121.06475	2.1
123.04412	2.3
124.05193	1.2
127.03849	0.7
129.10265	0.9
133.06433	0.6
133.10088	0.7
137.05991	0.6
149.05989	2.1
151.03935	1.0
152.04718	1.0
160.04268	1.7
161.06038	1.0
163.03918	0.5
163.07591	0.5
167.07027	100.0
168.07388	2.2
175.07520	0.6
179.07016	0.7
181.08601	3.2
193.08588	4.0
211.09625	15.0
229.10663	8.3
230.11215	0.6
235.05995	0.7
241.10661	0.5
246.07668	0.7
247.13309	1.0
408.17508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05510	27.4
61.90425	3.6
67.05508	19.4
69.07064	40.0
70.97163	12.2
71.04987	7.2
72.08203	3.9
81.07024	18.8
83.04983	12.4
83.08625	6.6
84.04501	4.5
85.02883	6.1
86.09711	6.8
91.05480	6.8
93.07043	12.3
95.08600	62.8
97.02890	3.8
97.06530	5.9
97.10174	5.5
99.04448	4.3
105.07031	12.5
107.08588	20.3
109.10151	25.5
116.01659	6.9
119.08580	41.4
121.10128	11.8
123.08057	7.1
123.11684	6.2
125.09605	23.7
133.10132	68.3
135.11699	24.9
137.09618	31.3
138.77115	4.1
143.10567	3.7
145.39908	3.7
147.11652	6.6
151.14801	5.1
162.02182	7.8
175.14819	100.0
193.15845	87.7
194.16127	5.9
211.16985	11.6
219.51180	4.0
261.11197	6.2
262.11026	4.6
342.93991	4.3
431.29810	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	409.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18788	3.1
56.96564	59.6
61.02934	3.6
69.03426	8.6
70.18863	18.0
70.98131	8.9
71.04989	4.4
71.26474	3.2
73.02920	4.8
74.58849	3.3
81.03419	4.4
84.96027	10.1
85.02903	10.8
88.99120	5.1
97.02901	10.5
98.20792	4.0
98.97575	33.5
101.00886	19.7
104.25755	3.7
110.97548	6.2
112.99137	4.9
113.00896	5.4
115.02410	7.2
116.13058	3.4
116.98605	27.0
119.01916	89.6
119.82545	3.5
121.01655	11.3
124.95526	5.7
127.02394	5.9
127.03948	4.4
128.98640	10.5
131.00223	7.8
131.01917	41.2
133.01718	7.7
133.03458	36.1
134.99670	21.8
135.03220	4.7
135.04393	3.3
137.02962	13.2
141.88104	3.3
142.96506	14.5
143.00246	5.2
143.01903	67.5
145.01677	11.4
145.03467	50.8
146.99651	14.3
147.01414	7.8
147.03265	7.0
149.01193	9.4
149.02959	12.0
151.04535	8.4
155.01877	36.3
157.01677	12.3
157.03465	22.1
158.99667	9.8
159.03230	7.3
159.05026	5.0
160.97604	13.3
161.01407	6.9
161.02953	100.0
163.02696	7.6
163.03990	14.4
165.00713	13.0
165.04433	4.0
167.01970	8.2
168.99857	11.6
169.03455	17.0
170.96053	6.0
170.99820	6.5
171.01414	13.5
171.05005	8.4
173.02957	71.8
174.99199	12.3
175.01219	4.1
175.02664	20.9
175.04527	12.1
177.00691	9.0
177.04207	4.6
179.02168	4.2
183.01347	4.7
183.05058	6.2
185.01384	8.7
185.02985	26.8
187.00897	15.8
187.02757	10.9
187.04405	25.1
188.97078	30.4
189.00710	10.2
189.02473	24.0
189.04056	5.1
189.05949	5.6
190.98616	6.2
191.02419	5.7
191.04089	13.2
193.00221	26.5
196.04501	4.8
196.99275	5.2
197.03029	9.9
199.00862	15.5
199.04518	8.5
201.00697	9.3
201.02432	12.9
201.06113	4.1
202.98593	9.2
203.02316	8.5
203.04042	22.9
205.00177	6.5
205.03693	7.2
206.98067	21.4
207.01753	8.5
207.03568	8.0
211.01077	7.7
211.04538	17.1
213.02446	12.2
214.98604	4.7
215.00433	10.2
215.03999	8.5
217.00186	7.9
217.01978	28.0
219.01703	12.9
219.03577	10.9
220.99623	13.1
221.03181	5.1
221.05110	9.6
223.04587	6.9
224.02081	4.3
224.52042	5.1
225.02492	5.2
229.05597	9.2
231.03551	28.9
232.99770	6.4
233.03206	6.4
235.04842	5.1
237.00150	5.3
237.02794	15.5
239.06146	9.0
241.01773	5.6
243.03574	8.1
245.05121	7.1
247.01207	13.1
247.04993	7.0
249.04684	6.3
251.04475	9.6
253.07693	4.9
255.01003	6.1
259.02972	14.9
261.04755	5.6
263.06097	10.0
265.02386	10.9
265.05829	7.3
269.05600	4.5
271.06628	6.2
275.02557	11.2
277.07794	3.9
281.01801	4.9
281.05441	4.8
288.98724	14.2
289.04169	56.8
291.09250	4.0
293.02017	4.1
293.05371	8.0
301.03986	28.5
303.00174	5.4
303.09116	24.6
305.07162	8.3
306.99814	4.8
307.05124	62.8
315.05606	5.4
316.98038	15.8
317.07147	4.7
319.05246	19.5
321.01205	8.0
329.07199	4.7
330.06683	7.4
330.99564	7.0
333.06598	8.2
349.00998	4.0
349.08139	11.8
361.06140	6.0
365.09479	4.1
373.06076	6.7
377.05508	7.3
391.07355	15.2
409.10147	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	407.3518
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
57.07081	5.6
61.91330	2.8
64.27803	3.4
65.03915	4.0
66.32784	3.3
67.05494	28.8
69.07048	8.8
70.83031	7.7
71.04992	4.4
71.08601	9.8
74.36127	2.9
81.07044	4.8
83.08588	5.3
85.10207	3.3
95.04961	15.2
95.08572	5.2
99.04489	6.7
105.83248	3.1
111.07976	3.3
112.86755	2.7
113.05991	8.6
123.04421	14.8
125.06005	7.5
129.79501	3.1
129.80531	3.1
139.07584	5.1
141.05455	100.0
388.48743	3.5
389.34039	14.2
407.35068	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	407.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15727	7.8
55.05507	47.2
57.07074	69.5
61.83152	7.0
67.05485	19.2
69.07061	80.0
70.96963	19.4
71.08631	48.5
74.59400	7.0
79.05474	35.6
81.07050	73.1
83.08601	65.5
85.10171	23.1
89.06030	8.3
91.05486	9.8
93.07035	18.4
94.20032	9.7
95.04937	11.7
95.08607	72.0
97.06521	7.6
97.10163	32.6
98.86269	7.6
99.04443	13.2
105.07007	14.1
107.08591	20.7
109.06484	17.3
109.10154	42.3
111.04428	23.9
111.11703	22.0
119.08580	18.9
121.10127	27.7
123.08022	16.8
123.11661	29.6
125.05965	78.3
125.13295	13.0
133.10051	15.4
135.11702	11.4
137.05959	100.0
137.13184	11.0
141.05418	18.0
147.11707	13.3
149.13295	11.1
151.07549	23.8
151.11240	10.0
152.41917	8.4
161.09616	8.5
165.09105	23.4
167.10695	16.4
175.11203	9.0
179.10599	40.0
181.12221	22.9
183.10121	11.6
193.12212	41.8
195.13847	11.5
197.11646	19.2
207.13742	22.1
207.17381	10.7
211.13156	15.6
212.79721	8.2
221.15335	25.9
235.16901	33.7
239.16348	8.2
249.18427	36.3
251.19820	9.3
253.17953	17.8
263.20041	34.5
267.19632	11.3
277.21536	20.2
281.21039	14.4
291.23166	12.6
305.24768	12.5
309.24020	14.2
318.77859	8.3
319.26184	17.1
333.27975	10.9
389.34030	62.2
407.35306	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	407.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.6
55.05502	3.1
58.27829	1.5
69.32158	19.0
79.05482	8.2
81.07052	2.5
91.05476	6.7
95.04950	3.8
95.08580	1.7
97.06528	2.1
103.05457	5.3
105.07024	8.2
106.07912	1.6
107.04955	51.7
107.08595	3.7
108.05301	3.1
109.06519	1.6
115.05468	3.8
116.36169	1.6
117.06977	2.4
119.08663	1.5
119.49390	1.6
121.06533	1.7
133.06444	1.9
135.08054	13.6
140.70267	1.5
153.02290	1.5
154.06258	3.4
163.07549	20.9
167.07034	21.4
168.07422	2.4
180.07817	6.0
181.08545	2.2
195.10162	100.0
196.10538	6.3
206.23941	1.5
209.11752	2.3
241.89780	1.8
264.60092	1.7
315.19565	2.7
355.53116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.36647	1.4
56.96565	96.4
57.03432	2.3
61.02933	2.4
69.03430	5.3
70.06592	1.7
71.05016	1.4
71.63437	1.4
71.63798	1.5
71.95278	3.0
72.96038	3.3
73.02914	2.9
74.97594	1.5
81.03423	3.6
84.08159	2.0
84.96037	3.6
85.02897	10.6
86.54991	1.2
92.75143	1.3
97.02908	4.2
98.97585	32.1
99.04463	1.5
101.00871	2.7
107.69543	1.2
110.97559	13.0
113.00887	1.6
113.07177	2.8
115.02446	1.8
116.98617	10.1
119.01904	9.5
121.01642	1.6
121.13194	1.3
127.03945	2.3
128.98599	19.0
131.00206	2.3
131.01878	7.2
133.03497	3.8
134.99640	3.7
137.06013	1.3
139.00661	6.4
143.00140	4.0
143.01897	6.8
145.01685	1.8
145.03479	7.0
145.04968	2.4
146.99648	12.5
149.02951	1.7
155.00157	3.6
155.01892	6.0
156.02693	1.8
157.01753	20.6
157.03442	3.3
158.99648	5.8
159.03204	1.9
161.01352	1.8
161.02969	7.4
163.03897	1.9
164.98639	2.3
165.00722	2.1
167.02058	1.4
169.03429	2.9
170.99663	7.3
171.05022	2.0
173.01237	9.7
173.02974	13.8
175.02792	87.3
176.03165	1.5
177.00700	5.5
179.04451	1.5
182.99649	19.9
185.02992	6.3
189.00696	8.1
189.06003	2.0
191.02287	2.4
191.03992	1.9
193.00201	1.8
193.03842	52.6
197.02933	1.9
198.04353	3.2
199.04587	2.1
201.00699	58.4
203.03975	4.1
207.01738	2.2
214.05972	3.1
215.04034	2.3
217.05693	2.6
219.01768	83.3
221.05034	2.9
222.03928	1.5
224.02351	2.3
226.98648	3.1
231.07213	1.9
236.60866	1.7
237.02853	15.8
238.03087	1.3
239.60292	1.4
242.03351	2.3
243.01773	34.4
243.04196	2.0
244.99678	29.1
245.05113	6.2
249.08247	3.0
251.07990	1.5
255.01649	2.1
255.03848	6.9
257.05011	3.4
261.02774	14.8
263.00748	100.0
267.09171	2.6
273.02725	9.2
275.06049	3.2
281.01810	10.9
286.02350	3.6
287.00742	67.3
287.05890	2.9
291.04132	1.3
291.09372	4.2
299.00607	7.3
305.01797	54.9
317.01825	31.5
321.04962	1.8
321.10318	2.3
323.03036	1.7
328.03369	5.0
335.02802	9.7
347.02957	7.1
347.08307	7.0
362.57574	1.3
363.06024	4.5
363.09906	1.7
370.35272	1.4
389.13351	1.8
407.04791	22.0
407.09412	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2222
Annotation	Icacine
Peak:m/z	Relative Intensity
55.05507	3.9
56.05031	5.5
57.07074	1.2
67.05499	4.5
68.20904	0.8
69.03419	1.5
69.07052	1.7
70.06586	12.0
71.65771	1.6
72.08136	0.9
79.05479	5.0
80.05016	1.0
81.03393	1.1
81.07061	4.0
82.06573	10.1
83.04951	2.7
83.07336	2.0
84.08138	100.0
88.07639	1.0
91.05477	6.9
93.07050	4.4
95.04956	1.4
95.08574	1.7
96.08110	3.1
97.06535	2.7
97.08900	2.3
98.09687	10.6
100.07613	71.2
103.05434	0.9
105.07021	13.7
106.06535	2.9
107.08601	4.4
109.06527	1.4
110.09677	1.4
113.82880	0.7
115.05438	1.8
117.07003	3.1
119.04964	1.1
119.08581	7.3
120.08111	1.0
121.06470	1.0
121.10134	1.6
123.08032	1.6
124.07588	22.2
126.09188	1.8
128.06174	1.8
129.07004	2.8
131.08556	5.0
133.06448	2.0
133.10109	2.4
134.09659	1.1
135.08063	2.4
140.10640	1.8
142.07750	2.6
143.08614	4.3
145.06464	1.8
145.10124	2.5
147.08023	1.2
147.11687	3.6
148.11243	1.1
154.08647	1.6
155.08586	1.0
157.10097	5.6
159.08057	1.4
159.11676	3.9
161.09642	1.8
164.10735	1.3
167.06932	1.1
168.09229	0.8
169.10167	1.4
170.08182	1.8
173.11885	0.8
175.11157	5.1
178.08542	0.9
181.16046	0.9
183.11752	1.4
185.09662	1.1
187.11206	1.1
193.12207	2.3
199.11052	1.0
201.12703	1.8
214.16051	0.9
228.13867	1.0
244.16937	1.0
284.20105	1.4
300.19577	1.9
300.29102	5.7
318.20505	1.4
328.19031	1.1
332.71271	0.7
344.31607	2.0
346.20154	6.7
348.17935	1.4
360.21765	1.3
364.21313	2.1
388.21146	1.4
406.22229	66.9
406.35138	15.2
407.22534	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	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	4.5
55.05493	3.3
56.05031	6.1
57.02961	0.8
57.03444	5.5
58.06582	2.3
58.99587	10.3
68.05016	1.8
69.03400	0.8
69.07066	1.6
70.02930	1.0
70.06577	2.7
71.15392	0.8
71.15740	1.7
72.08159	2.2
73.01129	1.0
73.02915	0.9
74.00651	2.0
74.02402	0.8
76.02226	19.7
76.03991	2.4
79.05479	4.4
81.07055	20.7
83.04983	0.8
83.06087	2.0
84.04504	26.0
84.08131	2.2
85.01102	2.6
85.02891	1.6
86.00639	6.0
86.09688	1.3
86.99049	7.2
87.02685	6.3
88.02200	1.8
91.05475	0.8
93.07033	1.2
94.06574	0.8
95.04945	1.3
95.08579	3.3
96.04485	1.4
96.08125	1.1
97.01079	1.4
97.06516	2.2
98.09693	12.8
99.05582	1.2
99.08080	4.7
101.00605	1.0
102.05548	6.1
105.07007	1.9
110.09659	2.1
112.03962	3.8
113.04225	7.3
114.03742	0.9
115.05767	1.8
116.01678	22.8
122.09666	1.5
123.08061	1.8
124.04009	1.0
125.09587	0.8
127.05758	1.6
129.06589	3.4
129.10208	0.9
130.04968	6.8
130.06825	4.3
130.08612	1.8
139.05737	1.6
142.03183	2.1
143.02708	1.2
144.01143	8.4
145.06039	1.4
147.04433	1.8
151.07449	1.0
156.06572	1.3
156.07024	1.2
156.08414	21.6
156.10190	13.1
157.06819	9.0
161.74121	0.9
162.02205	21.9
167.07014	1.8
174.09477	11.2
177.05586	0.7
179.04836	9.4
181.08482	0.9
184.06007	1.5
187.05417	1.0
189.03250	1.3
202.07039	0.9
210.11226	2.0
216.06905	4.9
233.05911	2.2
242.08502	1.1
250.68088	0.8
259.11115	100.0
260.09140	1.0
260.11447	2.1
262.09402	1.2
277.12125	0.8
278.72104	0.7
285.12723	1.4
296.79669	0.9
313.12167	4.0
331.13260	6.0
388.15384	1.3
406.16397	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01883	13.7
57.03435	6.4
58.06579	3.0
61.02927	6.6
67.05508	3.1
68.99780	4.8
69.03429	34.2
69.30903	2.9
70.06580	5.9
71.04996	5.0
71.62872	3.3
71.63235	4.6
73.02908	10.4
81.03421	26.5
81.04498	3.3
83.04955	3.6
84.08117	3.0
85.02910	100.0
86.09699	3.3
87.00837	25.8
95.04951	3.6
96.15862	2.7
97.02905	31.4
99.04446	17.1
105.01851	20.4
109.02882	84.4
123.04424	48.1
124.03976	3.6
126.05526	4.5
127.03920	65.7
128.72447	3.0
129.01834	7.6
132.04451	3.1
133.02846	5.6
141.05472	36.2
145.04976	30.3
147.02939	3.3
147.04407	5.6
155.01624	13.7
159.02866	13.4
161.06084	4.5
163.03842	5.6
165.05502	11.1
171.61510	2.9
189.03951	9.6
207.06540	15.4
212.29037	2.8
213.03975	3.8
231.04691	15.0
231.06926	4.6
235.65900	3.2
244.00554	2.7
244.06465	3.4
244.10837	12.1
249.07733	17.0
259.11050	3.6
305.97845	2.8
311.33545	2.8
367.01782	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	405.3515
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
53.03934	2.3
55.05512	9.2
56.48691	1.4
57.07071	4.5
62.93905	1.3
67.05503	17.7
69.07071	17.1
71.08611	1.5
71.62678	1.9
71.63064	1.6
79.05497	12.7
81.07063	40.1
83.08627	7.4
86.09638	1.2
89.56698	1.4
91.05470	12.4
93.06472	2.1
93.07041	25.3
95.04978	3.0
95.08610	45.8
97.10171	4.4
105.07034	28.5
107.07876	2.4
107.08594	43.1
109.10156	28.9
115.05482	2.0
117.07017	4.8
119.08577	29.7
119.09378	2.8
121.10141	26.8
123.11703	13.8
129.06956	3.4
131.08575	11.7
133.10139	21.5
135.08055	1.9
135.11693	13.4
137.13258	4.5
143.08556	9.3
145.10123	20.0
147.11678	25.5
149.13252	12.4
151.14857	2.1
155.08575	2.4
156.09363	2.9
157.10104	13.8
158.10883	1.9
159.11693	21.4
161.13268	15.6
163.14857	10.1
167.06998	1.6
168.09332	1.9
169.10156	4.2
170.74632	1.4
171.11690	8.0
173.06691	1.5
173.13255	12.7
175.14810	8.3
177.16396	5.2
183.10237	1.4
183.11726	6.3
184.07361	4.7
185.13222	9.3
187.14790	10.0
189.16380	7.6
191.17966	2.9
195.11731	2.9
197.13266	5.3
199.14862	10.7
201.16380	15.8
203.17938	11.2
205.19446	2.6
209.13106	2.2
211.14856	5.5
213.16364	9.8
215.17944	11.7
217.19499	5.9
225.16496	4.1
227.17966	6.4
229.19580	6.8
237.16400	2.2
239.17879	4.9
241.19485	7.1
243.21130	5.5
253.19508	5.0
255.21054	10.3
257.22784	3.0
267.21088	4.9
269.22696	4.6
271.24271	2.0
281.22610	5.6
283.24265	2.2
293.22845	2.9
295.24493	2.5
297.25790	2.2
307.24048	2.0
309.25906	2.6
321.25772	3.9
328.41104	1.5
333.25916	1.6
335.27335	4.7
349.28845	4.3
363.30588	2.7
382.21466	2.5
405.35181	100.0
406.35422	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	406.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
54.83386	1.8
55.01868	14.4
57.03415	6.0
58.06592	4.1
58.19524	1.8
60.04525	2.0
60.97324	2.0
61.02912	4.9
64.50658	2.0
68.99780	3.8
69.03074	2.3
69.03426	26.2
70.06564	8.4
70.45596	1.8
71.04984	4.2
71.53176	2.7
72.08147	3.7
73.02905	5.4
79.05498	2.9
81.03408	22.0
81.07044	2.1
84.04482	2.2
84.08144	2.9
85.02899	100.0
86.09701	2.7
87.00816	15.0
91.05515	3.0
93.07005	3.5
95.04961	3.4
97.02872	16.4
99.04443	17.3
101.42352	2.0
105.01859	12.6
109.02877	69.5
127.03909	57.9
129.01855	5.4
135.04395	2.4
137.05978	4.0
141.05461	32.9
145.04942	28.6
147.02898	5.9
147.04401	7.8
159.02878	9.0
163.03894	4.4
165.05481	2.6
167.07008	2.6
175.04025	2.0
189.03912	3.7
199.70813	2.2
207.06500	6.8
213.03920	3.0
226.14346	2.7
231.04663	14.3
244.10963	2.3
249.07767	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	405.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05507	6.4
57.07061	1.3
67.05502	11.2
69.07069	15.9
72.64646	0.7
78.04065	0.8
79.05498	10.2
81.07053	27.2
83.08622	4.6
85.06546	7.9
91.05475	13.2
93.07043	16.5
95.04987	1.9
95.08611	26.7
97.06502	1.2
97.10159	1.9
99.08115	1.1
105.07030	18.5
107.08600	15.7
109.06509	1.3
109.10155	15.6
111.08089	1.7
111.11723	2.8
115.05474	1.3
117.07024	6.3
119.08583	16.1
121.10144	10.8
123.11718	5.4
125.09641	0.8
128.06264	1.3
129.07014	4.4
130.07761	1.2
131.08566	13.7
133.10127	13.0
133.47011	0.7
135.11688	6.8
137.09583	0.7
137.13263	3.2
141.06969	2.6
142.07800	3.4
143.08548	9.6
144.09381	1.4
145.10138	13.4
147.11671	8.7
149.09613	0.9
149.13261	8.5
153.07013	1.1
154.07729	1.1
155.08548	6.7
156.09305	2.3
157.10141	13.8
158.10626	0.9
159.08018	0.9
159.11693	15.0
160.12123	1.2
161.09584	0.8
161.13266	4.2
163.11226	1.2
163.14809	4.7
165.07053	2.2
166.07835	1.2
167.06577	0.8
167.08592	3.4
168.09323	2.4
169.10135	12.8
171.11699	10.6
173.09700	1.7
173.13219	5.2
175.11180	6.2
175.14841	3.0
177.12738	8.1
177.16370	1.4
179.08572	3.0
180.09331	1.4
181.10121	6.1
182.10855	2.9
183.11716	10.6
185.13268	6.4
187.14803	4.5
189.12743	2.5
189.16380	4.3
191.17921	1.6
192.09444	0.9
193.10184	3.7
194.10902	2.7
195.11702	10.1
197.13287	10.1
199.14807	2.3
201.12811	1.8
201.16466	2.4
203.17947	1.6
205.10130	1.6
206.10921	1.2
207.11708	5.9
208.12361	1.1
209.13269	9.5
210.13956	1.1
211.14812	8.5
213.12732	2.5
213.16386	2.0
215.14328	2.4
215.17952	2.3
217.15930	1.4
219.11809	2.0
220.12395	0.9
221.13277	3.5
222.14114	1.0
223.14787	9.3
224.15271	1.3
225.16388	2.7
227.14268	3.3
227.17831	4.0
229.15903	1.6
229.19493	5.7
230.21475	1.1
233.13332	1.4
234.14026	1.4
235.14793	3.8
236.15569	0.8
237.16364	6.9
239.14282	1.4
239.18008	2.6
241.15970	5.1
241.19518	2.6
247.14828	2.1
249.16402	6.7
251.17944	3.4
253.15825	1.9
253.19495	2.6
255.17426	5.9
255.21074	2.4
263.17905	3.4
265.19577	3.0
267.17459	5.6
267.20813	1.2
269.19156	2.2
269.22302	0.8
276.18781	0.8
277.19516	3.0
279.21133	2.7
281.19031	5.8
281.22089	1.0
289.19446	1.3
291.21121	1.9
293.18869	1.5
293.22626	1.4
295.20609	3.6
298.55276	0.8
303.21179	1.0
305.22629	2.0
306.42053	0.9
309.22217	1.6
317.22729	1.0
319.24164	2.4
321.22104	1.5
323.23584	4.1
325.24585	0.8
331.24121	1.8
332.24869	1.1
335.23694	1.3
335.27463	1.6
345.25720	1.6
347.27310	11.0
348.27658	0.9
349.25183	2.3
361.29047	1.1
363.26529	1.2
377.31970	1.9
387.30481	14.5
405.20862	9.4
405.31531	100.0
406.20944	1.0
406.32007	6.4
412.10977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
55.05505	11.5
57.03436	6.0
57.07059	5.0
57.11925	1.0
67.05507	5.8
69.07068	11.8
69.71971	8.1
70.19968	1.2
71.08630	1.9
79.05489	4.4
81.07056	7.2
83.08618	9.4
91.05472	2.5
93.07030	6.9
95.08608	7.0
97.06522	2.0
97.10175	6.4
105.07028	3.1
107.08585	3.0
109.10158	3.1
111.08124	1.0
111.11730	2.1
113.00014	100.0
119.08548	1.4
121.10141	4.9
123.11720	1.7
130.98441	1.2
133.10118	1.2
135.11674	3.8
145.10062	2.4
149.13239	1.5
153.86873	1.1
157.10091	1.9
159.11734	1.1
163.14975	1.1
169.02612	88.7
202.86057	0.9
228.81123	1.1
237.22156	7.7
349.13614	1.3
405.35312	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	405.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19287	1.3
51.24604	1.2
53.03938	2.8
55.01869	4.1
65.03938	4.1
66.04710	1.5
67.05498	3.8
69.03423	2.8
70.46624	2.7
76.84744	1.2
79.05492	15.6
81.03416	3.3
81.07045	2.2
85.02908	1.6
88.00887	1.3
89.57629	1.2
90.04768	1.2
91.05476	10.5
93.03380	2.7
93.07027	2.5
95.04977	4.7
97.06519	4.6
98.59918	1.2
103.05460	8.7
105.07023	26.6
107.04951	14.9
107.08576	1.9
108.02082	1.4
109.06528	2.3
110.03689	2.0
111.04447	1.8
115.05446	5.8
117.07034	2.3
118.04171	9.1
119.04936	5.5
121.06502	9.4
122.03635	3.4
122.07289	3.0
123.04413	3.8
123.08065	4.1
124.05199	4.0
125.05982	3.5
129.06989	4.9
131.04921	5.1
132.05722	2.1
133.06493	27.1
134.07364	1.6
135.04428	4.1
135.08057	4.6
136.66399	1.3
137.05968	33.4
138.03076	1.6
140.30431	1.3
143.04974	2.3
144.05722	1.9
145.06494	2.2
146.03612	2.2
147.04434	3.9
147.08070	2.5
148.05103	1.5
149.05997	7.3
150.06764	13.6
151.03923	14.7
151.07549	7.1
153.05452	2.3
157.06485	4.8
161.05988	11.1
165.09116	18.3
167.07030	37.4
171.04408	3.9
171.06554	3.4
172.05196	2.8
173.06061	2.6
175.07565	3.6
177.05461	9.1
178.06216	2.4
179.07036	7.0
181.04947	55.1
187.07658	2.9
189.09103	5.7
191.07108	2.2
192.07608	1.6
193.08603	84.8
194.09338	11.5
195.06555	2.6
203.07019	9.1
205.08600	2.5
206.05800	1.9
209.08052	3.6
211.09647	100.0
212.10077	2.2
215.06844	1.6
218.05649	3.4
219.10074	1.6
221.08099	5.6
226.73424	1.4
233.08109	32.6
235.09793	1.3
251.09259	1.8
263.09167	6.2
277.08563	2.1
309.11197	1.5
337.10785	3.2
351.12201	2.6
357.13336	7.7
369.13297	3.2
387.14417	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	405.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06402	1.0
54.83405	0.9
56.96571	1.9
65.03944	1.0
69.03438	1.3
69.07058	3.3
69.82680	3.0
69.83092	3.5
79.05486	7.6
81.07056	1.5
85.02884	1.2
86.09653	0.9
91.05479	3.9
95.04961	9.9
97.06487	1.5
97.45381	1.0
103.05452	2.4
105.07025	4.3
107.04957	27.2
109.06503	1.0
115.05437	2.1
117.07008	1.1
117.27470	1.0
118.56601	1.0
121.06499	4.3
121.10165	1.1
123.04436	10.9
124.05166	1.5
125.05932	2.0
129.07071	1.2
131.08530	1.9
135.04373	1.4
135.08069	4.3
137.06000	3.4
140.04662	2.8
143.08565	3.6
145.10123	5.7
147.04433	1.2
151.03874	2.3
152.04646	1.6
155.07030	4.7
157.06473	1.2
158.07246	4.5
159.08063	1.4
163.03902	1.5
163.07587	6.7
167.07040	100.0
168.07385	2.4
171.06572	1.2
173.09622	9.1
180.07813	1.2
181.04965	18.9
181.08574	13.1
183.06532	7.2
186.06787	1.1
189.09132	2.2
191.10651	5.7
195.10158	17.5
199.25598	1.3
201.09102	20.5
207.10069	1.3
211.09605	2.9
215.07124	1.1
219.10176	21.3
223.13316	3.3
233.11755	9.0
251.12790	36.3
259.09775	1.8
259.80991	1.1
321.10117	1.2
355.15225	1.8
405.19324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03939	2.2
55.01868	4.6
55.05499	1.5
57.03420	1.9
65.03943	2.4
67.05502	2.5
69.03424	2.6
69.07059	2.2
71.65802	1.5
73.02885	1.1
76.90285	1.0
79.05489	14.0
81.03407	3.0
81.07066	3.3
83.04964	1.8
83.08607	2.7
85.02903	4.3
91.05470	16.4
93.07050	4.5
94.04186	1.3
95.04964	7.8
97.02940	1.3
97.06533	4.3
97.10134	1.2
103.05459	11.0
104.06305	1.2
105.07021	38.6
107.04945	9.8
108.05727	2.1
109.06527	2.9
111.04446	4.3
115.05453	4.6
118.04160	13.5
118.23423	1.0
119.04936	8.7
120.05731	3.0
121.06491	11.9
122.03632	2.1
122.07276	3.2
123.04441	2.1
123.08079	2.8
124.05206	3.9
125.05976	2.2
128.06299	1.0
129.05527	1.4
129.06985	1.5
130.04240	1.2
131.04945	4.2
132.05684	2.0
133.06485	38.0
135.04350	5.6
135.08032	7.9
136.05234	1.2
137.05974	17.1
145.06534	1.5
146.03636	2.3
147.04454	5.7
148.05211	1.9
149.05969	7.4
150.06746	20.8
150.07878	1.7
151.03917	4.8
151.07593	8.0
157.06468	1.5
161.05943	5.4
162.06697	1.2
163.03906	3.4
163.07518	2.5
164.32558	1.0
165.05449	1.3
165.09091	22.2
167.07031	27.7
168.07419	1.4
169.92989	1.0
175.07529	1.5
177.05457	9.5
178.06209	3.2
179.07069	7.8
181.04935	13.9
181.08614	3.1
187.07571	1.8
189.09091	1.8
193.08595	93.1
194.09349	11.5
195.06520	1.5
195.10165	1.4
200.04683	1.5
203.06987	1.8
209.08098	2.9
211.09633	100.0
212.10013	2.6
215.06985	1.7
221.08035	1.3
233.08104	7.0
256.70538	1.4
259.09753	2.0
263.09381	2.2
311.71017	1.1
323.79108	1.2
334.53259	1.2
369.13492	1.5
387.14346	3.1
404.85535	1.2
405.13141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01866	1.9
65.03936	7.7
66.04733	1.2
67.05493	4.4
69.03429	3.1
69.07076	1.1
71.65186	1.6
77.10515	0.9
79.05499	10.4
81.03404	4.2
81.07056	2.4
82.04198	1.9
85.02901	5.7
91.05471	6.5
93.03390	2.2
93.07030	2.1
94.04165	1.3
95.04961	5.8
96.32062	0.9
97.02905	1.0
97.06534	3.6
103.05468	3.2
105.07035	8.0
107.04944	15.2
107.08553	1.0
108.02094	2.6
109.06503	3.4
110.03658	3.0
111.04429	3.2
111.08132	0.9
115.05424	7.0
117.07020	3.7
118.04229	1.1
119.04942	2.8
119.08548	1.1
121.06490	3.5
121.10098	1.1
122.03641	4.0
123.04446	2.0
124.05202	3.0
125.06027	4.4
127.03935	2.2
128.06219	3.7
129.06993	10.5
131.04930	4.0
131.08566	1.9
133.06505	5.5
135.04407	1.7
137.05969	41.1
138.03146	2.4
140.04630	1.0
141.05455	1.3
142.02626	1.8
143.04918	5.5
143.08551	1.2
144.05705	1.3
145.06473	6.2
147.04318	5.5
147.08060	1.8
149.05965	2.7
150.06702	1.3
151.03906	25.9
151.04999	2.1
151.07550	2.7
152.04677	1.3
153.05467	2.5
155.05991	1.2
157.06459	9.7
157.10107	1.1
159.04364	1.0
159.08040	1.6
160.05180	3.1
161.05983	6.7
161.09564	2.0
162.06760	0.9
163.03897	1.1
163.07526	1.2
165.05545	1.7
165.09120	1.2
167.05609	2.0
167.07034	40.1
171.04416	4.9
171.06583	6.6
172.05186	6.7
172.06447	1.1
173.05986	3.8
174.06789	1.8
175.07561	6.0
176.04608	1.2
177.05482	2.5
177.09087	1.4
179.07016	3.4
181.04950	100.0
182.05357	2.2
185.06015	1.2
187.07581	4.5
188.04720	1.3
189.05475	2.7
189.09076	9.0
191.07019	4.1
193.08603	9.3
195.06557	3.9
200.04663	3.8
201.05431	1.7
202.07845	1.3
203.07013	14.2
203.08746	1.4
204.07660	1.1
205.08592	5.0
206.05734	2.0
207.06404	1.0
209.08081	1.3
211.09599	8.4
215.06972	1.3
218.05797	4.4
219.06340	1.4
219.08205	2.1
219.10059	1.4
220.07376	1.2
221.08000	7.9
225.63890	1.2
231.08183	1.1
233.08078	51.6
234.06467	1.4
234.08459	1.7
235.09625	1.7
245.08162	2.2
249.09109	2.1
251.09152	3.3
255.06483	1.0
262.06302	1.2
263.06833	1.4
263.09152	11.2
265.08633	1.5
267.10410	0.9
276.07950	1.4
277.08640	3.4
293.08017	3.0
294.08823	1.1
295.09561	1.1
297.11169	1.7
301.07141	1.8
305.08014	1.2
309.11084	5.0
319.09521	1.3
325.10684	3.2
337.10672	4.7
341.13809	2.6
351.12283	4.2
357.13315	11.8
369.13214	6.1
387.14337	30.6
387.21960	1.4
388.14828	1.3
405.14151	1.5
416.72006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
53.03932	4.8
55.01859	5.3
57.03429	2.2
59.00607	1.2
65.03947	7.4
67.05490	4.0
69.03415	3.8
69.43970	2.7
69.44378	11.3
70.06561	2.5
71.04982	3.3
75.04467	6.1
78.04692	5.2
79.05492	7.6
81.03410	3.8
81.07064	3.4
83.04975	1.9
85.02901	9.1
87.00771	1.5
89.03934	1.9
89.06026	1.8
91.05483	23.0
93.03413	20.9
93.07040	10.8
95.04979	11.3
97.02915	1.8
97.06538	9.4
103.05454	9.3
105.03381	1.9
105.04540	2.2
105.07056	11.3
106.04174	52.0
107.04988	7.9
108.02094	1.7
109.02885	1.8
109.06496	2.5
109.10168	1.5
110.03604	2.3
111.04449	4.6
117.07031	3.3
118.04144	3.9
119.04922	2.4
119.08577	3.7
121.06500	48.9
122.03622	1.8
123.04425	5.8
123.08067	2.0
124.05228	3.7
125.05986	12.9
127.03914	2.2
129.07024	1.9
131.04915	4.3
131.08575	3.1
133.06519	9.0
133.10109	3.6
134.03670	7.4
135.04385	3.9
135.08003	3.2
137.05977	15.9
139.07523	3.3
143.08505	1.7
145.06516	3.3
145.10106	2.3
147.04376	3.7
148.05199	3.7
149.05986	66.2
150.06642	5.1
151.03917	30.0
151.05066	2.8
151.07500	5.4
153.05495	4.2
153.09090	19.4
155.07146	1.4
157.06516	1.8
157.10201	2.7
159.11583	1.7
161.05971	7.9
163.03935	3.1
163.07513	5.2
165.05405	1.6
165.09132	5.4
167.07043	29.5
171.11707	1.6
173.05933	2.1
173.13242	2.9
175.14859	2.1
177.05467	40.7
177.09050	1.6
178.06128	4.4
179.07066	3.3
181.04977	19.0
181.06375	2.1
181.08594	37.5
181.10172	2.2
182.09273	2.2
183.06537	1.8
187.07465	2.3
189.05412	2.1
189.09071	2.3
191.07031	3.2
193.08589	20.3
194.09427	1.4
199.07416	1.4
205.08632	8.1
209.08090	100.0
210.08496	5.4
211.09682	17.4
233.08076	4.4
244.09589	1.4
259.09735	1.6
283.17258	1.6
357.13428	1.7
369.13287	1.5
373.21246	2.6
387.14151	2.6
405.13715	1.4
405.23520	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	405.1542
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
50.94437	1.2
51.68496	1.2
53.03939	1.8
55.01860	1.6
56.87929	0.9
58.06606	1.2
59.24798	1.1
65.03927	7.7
67.05489	3.9
69.03412	3.0
70.54661	3.8
79.05506	10.0
81.03409	4.5
81.07053	2.7
82.04189	2.7
85.02882	4.2
88.68291	1.0
91.05474	10.8
93.03397	1.8
95.04942	5.8
97.02879	1.5
97.06516	3.9
105.03340	2.2
105.04521	1.3
105.07006	3.7
107.04953	14.9
108.02095	2.5
109.06499	3.5
110.03648	4.4
111.04433	2.7
115.05415	5.8
117.06995	4.1
119.04940	9.3
122.03635	3.9
123.04398	5.0
124.05192	3.2
125.05943	3.1
127.03883	1.7
127.05485	1.1
128.06210	2.0
129.06979	10.1
131.04922	2.7
133.02867	1.9
133.06483	3.6
133.10097	1.4
135.29025	1.2
137.05977	32.9
138.03075	3.2
142.02682	1.4
143.04892	3.5
144.05740	2.4
145.06432	5.7
147.04402	4.0
149.05992	1.6
151.03897	21.2
151.05005	1.9
151.07524	6.0
153.05507	5.2
155.04939	1.3
157.06506	8.4
159.08107	1.1
160.05254	2.2
161.05946	6.0
163.03842	2.4
165.05457	4.0
166.02528	1.3
167.07048	35.4
168.07434	1.5
171.04361	3.4
171.06528	5.4
172.05151	8.7
173.05975	2.6
174.06703	1.2
175.07532	6.2
177.05627	1.2
179.07030	5.5
180.07784	2.8
181.04958	100.0
182.05272	3.9
183.06522	1.6
187.07520	6.4
189.05434	3.7
189.09099	9.9
191.06998	4.3
193.04868	1.9
193.08626	2.8
195.06554	4.4
200.04671	3.5
201.05565	1.5
203.06989	13.4
203.08521	1.4
204.07292	1.3
205.08542	5.2
206.05667	2.9
207.06477	2.1
208.07317	4.6
209.08063	1.4
215.06976	2.2
218.05734	4.4
219.06186	1.2
219.08203	1.9
221.08014	6.4
225.07520	3.9
226.08340	3.0
233.08096	47.1
234.06650	2.3
234.08775	1.5
235.09679	1.4
249.09138	2.2
251.09280	1.3
263.09082	7.2
265.08752	1.7
266.09286	1.5
277.08521	2.4
279.06436	1.1
292.07553	1.1
293.08054	2.4
297.11108	1.7
305.07925	1.4
309.07880	1.4
309.11252	3.0
325.10770	3.2
337.10617	4.6
341.13834	2.1
351.12219	3.3
354.10849	1.3
357.13467	9.2
369.13351	5.7
387.14374	25.1
405.13040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1543
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
53.03934	2.1
55.01878	1.7
65.03939	8.9
67.05493	5.1
69.03423	2.2
69.44901	12.9
76.72146	1.2
79.05482	7.6
81.03411	4.5
81.07049	2.9
82.04184	2.5
85.02917	6.1
87.79330	1.2
91.05489	6.6
93.07078	1.4
94.04169	1.4
95.04971	4.2
97.06532	3.2
103.05437	5.0
105.07025	10.9
107.04955	15.4
108.02109	1.8
109.06516	4.0
110.03616	3.7
111.04474	2.7
115.05446	5.1
115.11073	1.5
117.07005	4.4
118.04107	2.4
119.04919	1.5
121.06484	5.8
122.03629	5.5
123.04433	2.7
124.05247	2.4
125.05978	3.9
127.03900	1.6
128.06216	3.2
129.06993	8.6
131.04936	3.7
131.08559	1.4
133.06503	10.7
135.04388	1.7
135.08035	1.9
137.05986	43.4
138.03120	2.6
141.06981	1.6
142.02596	2.7
143.04919	4.2
144.05658	1.4
145.06482	5.9
147.04366	2.4
147.08058	2.2
149.05951	4.1
150.06735	5.6
151.03914	18.0
151.05045	1.4
151.07549	2.5
152.04692	2.1
153.05479	3.1
157.06497	9.9
159.08026	3.0
160.05168	3.1
161.05978	6.1
163.07625	1.4
165.09119	4.6
167.07042	45.2
168.07458	1.5
171.04395	5.2
171.06474	5.5
172.05205	6.7
173.05972	4.1
174.06700	1.9
175.07518	6.0
177.05522	2.8
177.09215	1.3
178.06274	2.2
179.07051	1.8
181.04953	100.0
182.05338	2.8
187.07506	4.8
189.05429	4.2
189.09155	9.3
190.06192	2.0
191.07022	2.6
193.08606	26.5
194.09335	3.7
195.06567	2.6
200.04749	2.4
201.05406	1.7
203.07014	12.5
205.08511	4.3
206.05724	2.6
207.10153	2.5
209.07857	1.5
211.07686	1.2
211.09653	31.2
213.05444	1.5
215.07019	2.1
218.05684	5.9
219.06390	2.1
221.07993	9.1
233.08080	57.6
235.09589	3.3
245.08104	2.5
247.07542	2.7
249.09239	1.5
251.06889	1.8
251.09174	4.8
263.09180	10.1
265.08673	2.4
277.08545	2.1
291.10056	2.1
293.08038	2.8
301.06985	1.5
309.11084	2.9
325.10739	4.0
337.10727	4.4
338.11258	1.7
341.13657	3.7
351.12164	5.6
357.13263	12.9
369.13333	6.0
375.14474	2.2
387.14383	32.7
388.14856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.03950	1.1
55.01876	1.2
65.03944	6.6
67.05497	3.1
68.02628	1.0
69.03446	2.3
69.07094	1.5
71.64189	1.3
79.05492	11.6
81.03415	5.6
81.07057	3.8
81.63346	1.2
82.04219	1.9
85.02917	3.1
88.49400	1.6
91.05473	6.5
93.03387	3.2
93.07015	1.3
94.04194	1.4
95.04967	4.4
95.08624	1.3
97.02917	1.7
97.06533	2.6
98.90121	1.3
103.05472	3.8
105.07040	2.8
107.04950	18.7
108.02090	1.6
109.02921	1.4
109.06526	2.4
110.03669	2.6
111.04424	3.0
115.05473	5.9
117.07016	6.5
119.04927	1.4
119.08572	2.2
121.06509	1.2
122.03638	3.1
123.04419	2.4
124.05242	2.9
125.06007	5.5
128.06256	3.1
129.06990	9.1
131.04959	4.6
133.06499	3.7
135.11528	1.4
137.05966	55.1
138.03111	2.4
141.07004	1.6
143.04910	3.8
144.05710	3.3
145.06444	11.0
147.04390	2.1
147.08037	3.1
149.05989	1.7
151.03905	25.2
151.05032	2.0
151.07561	2.8
152.04642	1.7
153.05449	4.6
157.06490	12.4
159.08121	1.5
160.05190	3.5
161.05971	8.5
165.05499	2.1
166.02605	1.7
167.05618	2.9
167.07034	51.4
168.07440	1.7
171.04428	5.0
171.06561	4.5
172.05182	8.2
173.06012	6.5
174.06676	2.3
175.07545	5.3
177.05554	3.0
179.07062	2.0
181.04955	100.0
182.05304	2.8
187.07567	4.1
189.05449	6.7
189.09137	5.3
190.06239	4.2
191.07028	4.4
193.08629	2.2
195.06583	3.4
200.04704	3.6
201.05472	4.3
203.07011	19.6
204.07578	1.5
205.06841	1.9
205.08510	8.3
206.05760	5.2
211.09637	1.7
213.05406	1.8
215.06999	3.1
218.05644	7.4
219.06320	2.7
219.08211	1.8
221.07980	12.2
223.46820	1.2
224.65048	1.2
231.06436	1.6
233.08061	66.6
234.08498	4.0
235.09744	3.6
244.51886	1.3
245.08200	2.4
247.07495	1.8
249.08995	3.0
250.06129	2.0
251.09128	8.9
255.06339	2.7
258.05350	2.2
259.09644	1.3
262.06345	1.4
263.09183	9.7
276.07687	1.8
277.08801	3.1
278.09280	1.6
279.06381	2.5
282.08804	1.4
286.04529	1.3
293.08005	3.5
294.08768	1.3
301.07050	15.8
305.08090	1.7
307.09686	2.0
309.11124	3.1
315.08716	3.0
316.09515	9.8
322.08490	1.4
325.10556	2.7
327.12228	1.8
329.10245	1.7
337.10748	5.0
341.13910	3.0
342.10977	2.4
351.12253	3.0
357.13272	10.4
369.13330	5.0
375.14407	8.9
387.14423	58.1
388.14752	5.9
403.32648	1.4
405.15747	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	405.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71630	0.9
52.47485	1.0
53.03922	1.3
55.01862	2.2
55.04057	0.9
65.03941	8.2
66.95743	0.8
67.05490	3.6
69.03411	2.7
69.07076	1.3
70.93564	1.1
70.93906	2.5
77.94053	1.1
79.05493	9.1
79.61609	0.9
81.03408	3.1
81.07041	2.3
82.04182	1.4
85.02906	3.8
89.03932	1.2
91.05482	4.8
93.03391	2.5
94.04182	2.0
95.04982	5.8
97.02859	1.3
97.06516	3.7
103.05478	3.3
105.07018	4.2
107.04298	1.2
107.04967	17.3
107.05686	1.3
107.08562	1.0
108.02103	1.9
109.06506	1.7
110.03638	4.2
111.04435	2.0
115.05464	6.4
117.07008	3.5
119.04900	1.5
121.06493	2.9
122.03621	3.1
123.04426	3.1
124.05209	2.6
125.06007	5.2
127.03864	1.8
128.06194	3.9
129.07010	10.5
131.04927	3.3
131.08492	1.5
132.05725	1.0
133.06522	5.0
135.04518	1.6
135.08153	1.3
136.06195	1.0
137.05974	37.6
138.03101	1.9
138.06310	1.2
141.05467	1.3
142.02583	3.1
143.04929	5.3
144.05737	2.2
145.06516	6.0
147.04375	3.2
147.08032	2.0
149.05994	2.0
150.06734	1.1
151.03923	25.1
151.05035	2.7
151.07387	1.0
152.04665	1.8
153.05420	3.8
155.06013	1.3
157.06473	8.9
159.04384	1.3
159.08055	1.7
160.05156	1.3
161.06017	7.5
163.07552	1.8
165.09120	1.9
167.07042	40.1
168.07381	1.1
171.04488	4.6
171.06540	5.1
172.05170	8.0
173.05972	4.1
174.06744	3.3
175.07588	4.4
177.09174	1.2
179.07013	1.5
181.04962	100.0
182.05321	2.9
185.05870	1.4
187.07599	5.7
189.05458	2.5
189.07489	1.3
189.09117	8.1
190.06122	1.2
191.07014	3.7
193.08607	8.5
195.06541	5.2
200.04715	2.9
201.05524	1.6
203.07039	15.4
204.07516	1.1
205.06650	1.1
205.08598	3.7
206.05731	2.0
207.10188	1.3
211.09575	8.3
215.06923	1.7
218.05777	5.0
219.06332	1.6
221.08000	6.2
233.08081	46.1
234.06587	1.9
235.07578	1.5
235.09720	2.2
237.09143	1.4
245.08083	1.8
247.07426	2.1
248.08408	1.3
249.09093	1.6
251.06822	1.7
251.09082	2.9
251.12898	1.8
262.06439	1.4
263.09116	7.5
265.08572	2.9
271.70825	1.0
277.08603	2.9
293.08032	2.2
294.08841	1.4
297.11282	1.6
300.09857	1.0
305.08142	1.8
309.11090	2.6
314.11139	1.1
325.10547	1.8
337.10565	5.0
338.11209	1.2
341.13748	2.4
342.11057	1.9
351.12292	3.5
357.13348	9.3
369.13300	6.6
387.14404	25.5
388.14673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41115	0.6
50.41342	0.7
53.03929	2.6
55.01862	2.4
55.05512	1.5
57.03440	6.3
58.06577	1.1
58.97945	0.6
61.02924	5.8
66.49915	0.5
67.05488	1.2
68.99776	0.8
69.03429	12.8
70.06569	2.8
70.81977	2.0
71.04975	1.9
72.08147	3.6
72.55796	0.6
73.02901	2.5
75.04476	1.1
80.58573	0.7
81.03416	10.8
83.04968	2.9
83.08631	0.8
84.08157	1.4
85.02905	51.1
86.09700	1.7
87.04464	2.7
91.03950	2.3
91.05407	0.6
97.02895	15.5
98.03656	0.9
99.04457	4.8
103.03931	1.9
107.04968	1.0
108.98310	0.7
109.02121	1.4
109.02871	19.2
111.00806	4.3
111.04414	1.2
113.06022	1.4
114.10289	1.8
115.03901	1.3
117.05499	3.0
123.04436	0.7
126.03130	9.5
127.03920	17.3
129.05496	1.3
136.61061	0.7
137.05989	1.1
141.05463	40.3
142.05885	0.9
143.65073	0.6
145.04964	16.8
151.07445	0.7
154.02672	0.9
155.11755	1.1
163.06004	1.4
169.04962	100.0
170.05394	1.3
201.07561	0.8
203.12190	1.1
208.06842	0.9
211.05966	3.1
243.08745	1.0
361.22610	0.9
405.06384	0.7
405.13806	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	405.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
56.96564	20.6
58.99841	4.0
61.02927	2.9
69.03421	3.8
69.31695	11.8
69.32116	17.1
70.98137	3.0
71.04980	2.6
77.00895	5.2
81.03411	10.1
83.04980	3.5
84.96037	3.3
85.02898	10.1
88.01443	2.3
88.99092	2.8
91.02448	3.9
95.01874	2.5
97.02902	5.2
97.96786	3.7
98.97584	7.3
101.00903	17.4
103.02406	3.0
109.02840	3.3
109.03523	4.0
112.82508	2.7
113.00835	5.9
114.06791	3.4
115.02416	7.8
116.98637	3.0
119.01916	55.7
119.02722	4.3
127.03939	3.1
128.98688	4.1
131.01912	32.6
133.03482	34.4
135.26164	2.4
137.02916	8.7
141.03923	6.3
143.00223	5.1
143.01909	3.9
145.03473	9.4
146.99687	3.0
147.05022	3.4
149.02985	7.9
151.04530	6.6
155.00191	2.7
155.01869	6.1
156.02643	4.8
157.03490	18.1
159.05060	13.1
161.02989	10.4
163.03922	6.1
165.00789	3.1
167.01903	4.5
169.03459	5.7
169.58853	2.7
171.04974	17.5
173.01387	4.5
173.02997	8.9
173.06592	29.8
175.03111	2.6
175.04494	12.5
177.00766	4.2
177.05939	3.1
181.03499	7.4
183.05096	8.1
184.02208	6.7
185.02965	30.2
185.06596	5.7
187.04507	3.3
189.04297	4.3
189.06053	6.4
191.02386	3.2
191.07631	10.8
192.05164	2.6
193.03648	2.8
195.04985	5.4
197.06599	17.9
199.04527	56.2
199.06230	4.5
201.00856	3.6
201.06100	5.6
203.02315	2.9
203.04034	6.3
203.07693	3.5
209.03065	5.4
211.04430	4.0
213.06082	16.0
215.07663	34.6
216.07883	3.0
217.05576	39.5
221.05037	6.7
223.04579	5.9
227.04022	36.9
227.07552	20.2
229.05623	4.5
231.07010	3.0
233.03268	5.6
235.06732	5.0
239.04059	5.6
239.06206	3.3
241.05594	44.7
242.05983	4.1
243.03561	4.2
245.05095	24.1
245.08794	4.5
249.08234	12.7
250.05684	3.3
253.05553	10.7
259.06674	62.9
260.06729	2.7
261.04507	4.3
265.01666	2.8
265.05951	21.3
267.09332	8.6
271.06644	7.0
283.06995	22.6
285.04565	100.0
286.04776	5.1
288.07535	2.7
291.09174	5.4
297.04453	11.4
301.07938	3.4
303.05597	27.0
304.05759	3.8
315.05621	30.1
316.11987	2.8
317.10590	4.0
326.07074	3.9
343.08731	9.7
345.06345	4.9
347.08246	4.0
361.09711	6.3
391.09073	7.2
405.07941	26.6
405.12775	12.5
423.85596	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	405.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
56.96564	20.6
58.99841	4.0
61.02927	2.9
69.03421	3.8
69.31695	11.8
69.32116	17.1
70.98137	3.0
71.04980	2.6
77.00895	5.2
81.03411	10.1
83.04980	3.5
84.96037	3.3
85.02898	10.1
88.01443	2.3
88.99092	2.8
91.02448	3.9
95.01874	2.5
97.02902	5.2
97.96786	3.7
98.97584	7.3
101.00903	17.4
103.02406	3.0
109.02840	3.3
109.03523	4.0
112.82508	2.7
113.00835	5.9
114.06791	3.4
115.02416	7.8
116.98637	3.0
119.01916	55.7
119.02722	4.3
127.03939	3.1
128.98688	4.1
131.01912	32.6
133.03482	34.4
135.26164	2.4
137.02916	8.7
141.03923	6.3
143.00223	5.1
143.01909	3.9
145.03473	9.4
146.99687	3.0
147.05022	3.4
149.02985	7.9
151.04530	6.6
155.00191	2.7
155.01869	6.1
156.02643	4.8
157.03490	18.1
159.05060	13.1
161.02989	10.4
163.03922	6.1
165.00789	3.1
167.01903	4.5
169.03459	5.7
169.58853	2.7
171.04974	17.5
173.01387	4.5
173.02997	8.9
173.06592	29.8
175.03111	2.6
175.04494	12.5
177.00766	4.2
177.05939	3.1
181.03499	7.4
183.05096	8.1
184.02208	6.7
185.02965	30.2
185.06596	5.7
187.04507	3.3
189.04297	4.3
189.06053	6.4
191.02386	3.2
191.07631	10.8
192.05164	2.6
193.03648	2.8
195.04985	5.4
197.06599	17.9
199.04527	56.2
199.06230	4.5
201.00856	3.6
201.06100	5.6
203.02315	2.9
203.04034	6.3
203.07693	3.5
209.03065	5.4
211.04430	4.0
213.06082	16.0
215.07663	34.6
216.07883	3.0
217.05576	39.5
221.05037	6.7
223.04579	5.9
227.04022	36.9
227.07552	20.2
229.05623	4.5
231.07010	3.0
233.03268	5.6
235.06732	5.0
239.04059	5.6
239.06206	3.3
241.05594	44.7
242.05983	4.1
243.03561	4.2
245.05095	24.1
245.08794	4.5
249.08234	12.7
250.05684	3.3
253.05553	10.7
259.06674	62.9
260.06729	2.7
261.04507	4.3
265.01666	2.8
265.05951	21.3
267.09332	8.6
271.06644	7.0
283.06995	22.6
285.04565	100.0
286.04776	5.1
288.07535	2.7
291.09174	5.4
297.04453	11.4
301.07938	3.4
303.05597	27.0
304.05759	3.8
315.05621	30.1
316.11987	2.8
317.10590	4.0
326.07074	3.9
343.08731	9.7
345.06345	4.9
347.08246	4.0
361.09711	6.3
391.09073	7.2
405.07941	26.6
405.12775	12.5
423.85596	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	51.8
56.96542	12.8
57.03428	19.3
62.14633	8.7
67.05500	78.1
69.07057	35.1
70.06567	26.0
70.95742	27.8
71.04991	10.7
71.08621	19.5
73.50209	9.8
78.87615	7.9
79.05497	79.0
81.03416	17.9
81.07048	92.4
82.06561	31.2
83.04965	18.8
83.06909	19.7
83.08607	34.4
84.08147	22.1
85.02914	8.9
85.08451	9.1
91.05477	43.9
93.07036	79.2
95.04964	14.6
95.08595	34.3
97.06522	36.6
97.10139	18.1
98.20880	10.7
98.49010	8.9
99.08102	28.9
105.07019	34.8
107.04975	13.2
107.08591	48.0
109.07641	97.4
109.10143	10.7
110.07991	30.5
117.06966	14.1
119.08611	26.1
121.10080	11.8
123.11666	9.3
125.09641	11.5
131.08549	22.8
133.10112	21.7
134.10443	9.5
135.08044	12.5
135.11690	21.1
145.10173	11.8
146.09607	9.2
149.13231	24.1
151.11150	21.6
159.11687	21.3
163.03879	13.6
163.11151	10.5
167.07004	17.8
168.07474	11.6
173.11720	12.2
177.12752	18.6
181.04910	12.9
189.11163	14.9
193.08644	11.5
195.13649	12.4
214.50288	9.7
227.12816	25.0
259.09653	21.7
259.20618	14.9
269.17471	100.0
277.21655	22.6
286.20209	13.6
303.46310	11.2
351.25287	45.2
377.21515	92.3
404.21545	10.4
405.15540	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	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03934	0.9
58.06583	0.4
60.75179	0.4
67.05505	0.4
70.06588	1.3
71.20737	0.8
72.08118	0.6
78.04700	0.9
79.05462	0.7
81.03406	0.6
84.08129	0.4
85.02892	0.8
91.05478	2.4
93.06991	0.7
95.04938	1.0
97.02863	0.5
97.18444	0.6
104.14534	0.4
105.07050	0.5
107.04971	0.4
110.07133	0.4
121.06496	100.0
122.06817	2.6
124.07581	0.4
129.10153	0.4
137.05962	0.7
140.13773	0.4
160.74680	0.4
161.05843	0.4
167.07059	1.6
168.07310	0.5
175.07428	0.4
183.67589	0.4
186.17059	0.4
189.12743	1.0
207.68997	0.4
243.31970	0.4
404.43872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.4
55.01865	7.3
55.05508	10.3
57.03421	5.9
58.06599	10.3
61.02933	6.4
67.05505	9.0
69.03416	22.1
69.07053	8.0
69.29391	16.5
69.29816	28.9
70.06586	15.7
71.04984	12.5
72.08159	10.0
72.28798	3.3
74.24545	3.4
78.06478	3.3
79.05495	13.8
81.03410	15.2
81.07063	10.4
81.55173	3.4
81.86760	3.1
83.08578	4.4
84.04505	5.0
84.08138	6.6
85.02906	57.5
85.06543	8.8
86.09705	9.9
87.00832	14.8
89.26244	4.4
91.05471	24.0
93.07042	10.6
95.04971	9.0
95.08612	13.3
97.02883	18.1
98.21522	7.2
99.04443	8.2
105.01875	15.5
105.07031	67.1
107.04955	5.6
107.08562	10.4
109.02884	13.9
109.06538	25.4
110.07224	4.0
117.07001	9.8
119.08578	72.0
121.02850	8.9
121.06506	14.6
121.10136	21.9
123.04420	5.5
123.08068	14.4
123.11694	7.0
123.89547	3.3
124.22921	3.8
127.03902	25.8
129.07013	4.5
131.08597	11.3
133.06487	8.3
137.05969	10.4
137.09608	9.9
138.33618	4.3
145.04939	9.3
145.06476	4.0
145.10144	15.8
147.04428	4.9
147.07965	4.5
147.11687	94.6
149.09627	13.6
151.07565	6.3
156.09357	5.2
161.05879	5.1
161.09581	4.7
161.13257	4.4
163.03897	4.3
163.07498	7.5
163.11237	4.0
165.12738	7.9
167.07042	13.5
168.07373	8.5
171.11673	5.1
181.04971	24.7
182.05345	16.5
189.03993	6.0
189.12747	61.2
199.26817	3.6
207.13802	100.0
208.14217	4.6
221.08101	6.6
222.08403	11.8
229.08559	6.1
231.05075	5.7
242.08084	19.7
270.05145	3.9
285.07605	7.6
295.05780	4.0
327.08807	6.6
404.13467	17.3
404.22681	10.7
415.00433	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04327	2.8
55.05502	7.3
57.03424	2.7
58.06604	3.8
67.05491	6.7
69.03414	11.5
70.06570	7.4
70.20383	11.7
71.04978	10.2
77.82843	2.5
79.05483	7.8
80.13121	2.7
81.03378	3.4
81.07034	5.8
83.04985	4.2
85.02905	25.7
85.06538	6.8
86.09690	4.7
87.00823	5.6
91.05465	17.3
93.07024	6.5
95.04977	3.6
95.08591	10.3
97.02892	3.5
99.01961	3.0
103.05478	3.2
105.01854	9.1
105.07031	55.2
107.04953	3.5
107.08561	8.5
109.02882	4.2
109.06479	17.2
117.06998	4.7
118.11756	3.0
119.07705	3.0
119.08572	60.6
121.06481	11.3
121.10135	12.8
123.08075	10.7
127.03893	5.6
131.08575	6.5
137.09654	6.1
142.34563	2.8
145.04892	3.7
145.10130	17.8
147.08040	5.8
147.11693	78.2
149.09608	12.9
149.24059	2.9
149.87328	2.9
151.07520	8.7
156.09335	4.2
161.13252	4.4
163.11140	6.7
165.12746	4.2
167.07001	6.1
171.11719	5.3
174.10268	3.6
181.04909	7.9
182.05272	4.5
189.12750	46.1
207.13792	100.0
242.08165	5.7
404.14105	8.8
404.22525	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14935	13.7
51.67278	11.6
55.05508	33.1
56.96565	40.4
57.03432	23.4
58.56874	10.4
67.05514	68.4
67.80029	9.9
69.03422	32.5
69.07054	47.4
70.06555	18.6
71.04989	14.1
71.08632	29.2
74.27142	11.2
79.05495	56.7
81.03405	26.4
81.07058	100.0
83.05000	20.6
83.08617	36.8
91.05466	33.9
93.07034	39.0
95.04961	21.4
95.08616	37.7
95.50221	12.4
97.02848	13.8
97.06519	47.8
97.10189	18.9
99.08087	33.0
105.07027	47.3
107.04974	26.3
107.08585	26.8
109.06535	21.6
109.10177	32.5
111.04485	13.6
117.07011	27.3
119.08579	19.0
121.06529	12.9
121.10124	20.8
125.09635	31.2
131.08582	14.5
133.10092	13.1
135.08017	17.5
140.14293	19.6
143.08603	17.9
147.11609	20.2
148.98369	11.6
149.13303	13.7
157.10132	19.0
159.11757	19.5
163.03845	11.9
165.31883	11.3
167.07018	22.4
171.11725	12.3
173.11797	24.4
173.13255	14.2
175.11153	15.4
177.12755	11.3
179.14432	11.5
184.51976	11.3
189.11169	19.8
194.71234	12.4
214.00803	13.1
215.07132	12.2
227.12788	13.2
235.39197	12.5
245.13765	12.4
259.09671	34.4
269.17438	32.3
277.21582	18.8
351.25168	15.9
367.17978	14.9
386.16205	13.0
395.43604	12.0
404.21426	13.3
404.46487	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50763	1.1
53.03937	2.8
55.01866	12.6
55.05497	1.6
55.27832	1.0
57.03439	5.9
58.06586	3.5
59.04974	1.3
61.02911	4.5
61.25122	1.0
66.45542	1.1
67.05486	2.1
68.38289	1.1
68.99776	3.5
69.03080	2.1
69.03429	29.9
70.06580	4.2
71.01339	1.6
71.04993	6.5
71.63341	1.6
72.08142	2.4
73.02906	6.4
76.83926	1.0
79.05498	2.4
81.03417	21.3
81.07019	1.6
83.04968	1.9
83.08617	1.6
84.08121	2.8
85.02901	100.0
86.03220	1.3
86.09678	4.5
87.00823	16.9
87.04473	1.5
87.10025	1.7
91.03930	1.8
91.05492	2.7
93.07038	3.5
95.04983	1.5
95.08582	1.5
97.02884	23.1
99.04449	17.3
103.03956	2.7
103.05444	2.2
105.01857	12.7
105.07004	1.7
107.04922	1.5
108.04437	1.1
109.02877	31.9
109.06498	1.2
111.04443	1.1
116.47916	1.2
117.01837	1.4
117.07029	2.4
119.08558	2.6
121.06524	6.5
127.03910	60.0
128.04300	1.4
129.01842	4.8
129.15022	1.1
131.04918	2.2
131.08560	1.8
135.08043	3.1
137.05992	3.0
138.09161	1.9
141.05406	1.4
145.04961	32.5
145.06435	3.4
147.02881	4.9
147.11691	2.3
148.05208	2.0
149.05986	2.6
151.07593	1.2
153.01773	1.3
156.10242	1.4
159.02841	7.8
159.08095	2.3
161.05971	1.9
163.07529	5.8
169.04965	4.2
170.60696	1.0
171.02881	2.6
171.11716	1.9
175.07549	1.1
178.07396	1.3
179.06914	1.4
181.08699	1.2
183.08109	1.3
187.07541	4.3
189.03954	5.0
189.09116	3.8
189.12718	3.8
204.12331	1.2
205.08600	11.0
207.10185	3.3
207.13783	7.9
211.07587	1.6
213.03886	5.5
229.08580	8.5
231.02760	2.0
231.04990	26.6
242.08118	11.1
247.09647	15.3
248.07756	1.9
249.06047	13.0
254.11066	2.4
281.09195	1.9
309.08765	1.4
333.10092	1.3
351.10873	2.8
355.09320	1.8
404.11560	2.4
404.16638	3.3
405.05832	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01866	1.9
57.03428	1.2
58.06601	9.8
59.53629	1.0
67.68442	1.1
69.03420	2.1
70.06564	1.7
70.68056	3.2
70.68378	1.1
81.03398	1.6
81.07040	1.0
85.02898	12.2
86.09692	3.9
88.04013	1.2
91.05483	15.0
95.04951	1.1
97.02882	2.2
97.21432	1.1
104.03793	1.1
109.02882	1.8
112.07789	1.2
118.04112	1.2
119.04935	24.0
123.11707	1.7
127.03880	3.5
132.02045	1.8
137.05930	2.6
145.01245	1.0
145.04901	1.1
147.04413	19.8
157.03957	2.1
175.03905	36.7
177.94139	1.1
179.07024	3.6
192.04204	10.4
207.06519	100.0
207.13885	1.8
224.03780	1.9
225.07576	36.6
257.09583	1.8
404.17065	1.6
405.16916	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01866	1.9
57.03428	1.2
58.06601	9.8
59.53629	1.0
67.68442	1.1
69.03420	2.1
70.06564	1.7
70.68056	3.2
70.68378	1.1
81.03398	1.6
81.07040	1.0
85.02898	12.2
86.09692	3.9
88.04013	1.2
91.05483	15.0
95.04951	1.1
97.02882	2.2
97.21432	1.1
104.03793	1.1
109.02882	1.8
112.07789	1.2
118.04112	1.2
119.04935	24.0
123.11707	1.7
127.03880	3.5
132.02045	1.8
137.05930	2.6
145.01245	1.0
145.04901	1.1
147.04413	19.8
157.03957	2.1
175.03905	36.7
177.94139	1.1
179.07024	3.6
192.04204	10.4
207.06519	100.0
207.13885	1.8
224.03780	1.9
225.07576	36.6
257.09583	1.8
404.17065	1.6
405.16916	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	403.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01864	1.0
55.05510	5.1
65.03924	1.1
67.02978	2.4
67.05495	2.8
68.37926	0.6
68.79781	0.6
69.03418	1.0
69.07061	1.0
70.06230	1.0
70.06585	10.6
71.04990	0.9
71.64902	0.8
79.05479	3.0
80.05012	1.9
81.03413	1.2
81.07069	2.9
82.06574	34.1
83.04991	1.4
83.07349	1.5
83.08568	0.8
84.08138	22.2
85.06543	1.0
91.05484	4.9
93.07050	3.0
95.04982	3.5
95.08582	1.6
95.25042	0.6
96.08134	0.7
97.06528	1.0
100.07608	1.6
103.05468	0.9
105.07026	10.6
106.06618	0.6
106.60548	0.7
107.04943	2.9
107.08577	3.3
109.07633	100.0
111.08126	0.6
115.05450	1.0
117.06995	3.6
119.08562	3.2
121.10130	0.9
123.04411	2.5
128.06252	1.2
129.07002	2.6
130.07864	0.9
131.08572	5.3
133.06477	1.5
133.10136	2.6
135.08086	1.0
137.09573	0.7
140.07033	1.4
141.06888	0.9
141.07867	1.3
142.07765	1.9
143.08562	2.3
145.06487	1.4
145.10101	3.9
147.08014	0.9
147.11659	1.2
155.08519	1.0
157.06534	1.3
157.10077	4.0
159.08104	1.3
159.11673	2.5
161.05960	2.2
161.09634	1.6
163.07489	1.1
163.11076	0.8
167.07043	7.7
168.09344	0.8
169.10083	0.7
171.07991	0.7
173.05923	0.9
173.13312	1.2
175.11182	1.6
179.71204	0.6
181.05032	1.5
181.08620	0.7
183.06467	1.3
183.11681	2.8
185.09601	1.0
185.13258	0.9
187.07561	2.5
187.11267	1.9
189.09088	1.8
191.06992	1.4
193.08598	1.7
199.07503	0.9
201.09209	0.8
201.12767	2.3
205.08635	0.7
219.10133	0.9
221.11723	1.5
229.12265	1.8
231.10214	1.2
235.09796	0.8
247.13405	1.2
279.88467	0.6
288.13376	0.7
306.17059	1.5
316.19049	10.3
332.22055	0.9
334.20108	1.6
343.20236	2.6
376.21158	71.5
377.21497	2.1
385.16440	1.7
385.23602	0.7
403.22269	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	403.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01864	1.0
55.05510	5.1
65.03924	1.1
67.02978	2.4
67.05495	2.8
68.37926	0.6
68.79781	0.6
69.03418	1.0
69.07061	1.0
70.06230	1.0
70.06585	10.6
71.04990	0.9
71.64902	0.8
79.05479	3.0
80.05012	1.9
81.03413	1.2
81.07069	2.9
82.06574	34.1
83.04991	1.4
83.07349	1.5
83.08568	0.8
84.08138	22.2
85.06543	1.0
91.05484	4.9
93.07050	3.0
95.04982	3.5
95.08582	1.6
95.25042	0.6
96.08134	0.7
97.06528	1.0
100.07608	1.6
103.05468	0.9
105.07026	10.6
106.06618	0.6
106.60548	0.7
107.04943	2.9
107.08577	3.3
109.07633	100.0
111.08126	0.6
115.05450	1.0
117.06995	3.6
119.08562	3.2
121.10130	0.9
123.04411	2.5
128.06252	1.2
129.07002	2.6
130.07864	0.9
131.08572	5.3
133.06477	1.5
133.10136	2.6
135.08086	1.0
137.09573	0.7
140.07033	1.4
141.06888	0.9
141.07867	1.3
142.07765	1.9
143.08562	2.3
145.06487	1.4
145.10101	3.9
147.08014	0.9
147.11659	1.2
155.08519	1.0
157.06534	1.3
157.10077	4.0
159.08104	1.3
159.11673	2.5
161.05960	2.2
161.09634	1.6
163.07489	1.1
163.11076	0.8
167.07043	7.7
168.09344	0.8
169.10083	0.7
171.07991	0.7
173.05923	0.9
173.13312	1.2
175.11182	1.6
179.71204	0.6
181.05032	1.5
181.08620	0.7
183.06467	1.3
183.11681	2.8
185.09601	1.0
185.13258	0.9
187.07561	2.5
187.11267	1.9
189.09088	1.8
191.06992	1.4
193.08598	1.7
199.07503	0.9
201.09209	0.8
201.12767	2.3
205.08635	0.7
219.10133	0.9
221.11723	1.5
229.12265	1.8
231.10214	1.2
235.09796	0.8
247.13405	1.2
279.88467	0.6
288.13376	0.7
306.17059	1.5
316.19049	10.3
332.22055	0.9
334.20108	1.6
343.20236	2.6
376.21158	71.5
377.21497	2.1
385.16440	1.7
385.23602	0.7
403.22269	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	403.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
63.19061	1.2
67.05500	4.1
67.60803	1.3
69.07064	4.2
70.06593	1.4
71.64432	1.2
71.64823	1.8
78.04785	1.4
79.05500	1.9
81.07040	4.2
83.04998	1.8
86.68110	1.3
91.05463	7.9
93.07034	5.2
95.04977	2.1
95.08591	3.3
97.06532	1.7
103.05442	1.6
105.07036	8.0
107.04941	7.5
107.08595	3.2
109.06536	2.5
109.10130	1.6
115.05446	2.6
117.07008	3.6
119.04921	2.7
119.08546	4.8
121.06516	7.2
121.10136	2.9
123.04446	1.6
123.08060	1.8
123.32964	1.3
129.06981	1.9
131.04953	1.8
131.08565	4.2
133.02821	2.4
133.06476	3.1
133.10062	2.3
134.07266	1.6
135.08057	5.3
136.05151	1.8
137.05939	2.8
143.08487	2.6
145.10114	2.7
147.04414	4.0
147.08052	4.9
148.05219	2.8
149.05988	3.4
149.09602	2.7
151.07567	7.6
153.05467	4.8
157.09981	2.2
159.08075	1.3
161.06024	3.5
162.06891	1.8
162.11118	1.3
163.07558	7.1
164.08247	1.6
165.05458	3.8
166.06252	6.6
167.07054	4.4
167.08476	1.5
167.69647	1.3
168.07814	9.6
171.07968	2.0
175.11191	1.4
177.09195	3.1
178.09865	15.5
179.07039	9.8
179.10579	1.6
181.08600	25.8
183.11710	1.6
185.13263	1.5
189.09241	2.9
193.08604	3.5
194.09393	18.7
194.42752	1.3
195.10104	4.9
199.07527	2.2
203.10657	2.9
207.10117	2.2
209.11728	100.0
210.12027	3.2
221.54547	1.4
235.13263	3.2
255.04036	1.7
317.84802	1.4
327.28503	1.5
402.38675	2.9
403.21213	2.7
403.29996	2.2
403.39249	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01857	2.2
55.05489	0.7
59.04998	0.5
60.45800	0.4
60.69496	0.5
62.66821	0.5
65.03924	1.3
65.24059	0.6
67.05486	1.0
69.03424	0.7
69.07076	0.7
69.66862	1.7
69.67292	2.1
71.81326	0.5
77.03880	0.6
79.05490	7.0
81.07055	1.2
91.05484	6.6
93.07035	1.9
95.04971	2.8
95.08563	0.7
97.06509	0.7
98.21469	0.9
103.05477	5.2
105.07025	24.2
105.21179	0.4
106.07390	0.6
107.04978	3.8
107.08620	0.9
109.06490	1.3
109.10118	0.7
111.04352	0.8
115.05443	1.6
117.06988	1.0
118.04163	4.3
119.02608	0.6
119.04933	1.3
119.08555	1.1
120.05711	1.6
121.06521	3.4
122.03664	0.6
122.07281	1.2
124.05202	1.0
129.06982	0.8
131.04881	1.2
131.08589	0.7
132.05670	1.9
133.06488	20.6
134.07234	0.9
135.04402	2.2
135.08080	2.8
137.05963	7.9
141.07018	0.7
143.08548	0.6
145.10074	0.7
147.08047	0.6
148.05185	1.5
149.05997	1.2
150.06770	7.0
151.07454	0.9
154.06258	2.0
161.05957	0.6
163.07597	0.5
165.05441	0.6
165.09103	16.1
166.06239	0.5
166.09332	0.7
167.07068	3.2
175.07498	0.6
177.05537	0.7
178.06265	1.0
179.07057	1.9
181.04984	4.5
181.08572	3.2
183.11725	0.8
185.91151	0.6
187.07430	0.9
190.35571	0.6
193.08601	100.0
194.09126	4.6
199.07521	0.6
209.08057	2.3
210.08862	2.6
222.12584	1.0
385.16443	0.6
403.24857	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2115
Annotation	Virolongin A
Peak:m/z	Relative Intensity
61.76540	1.4
64.52702	1.7
67.05496	1.6
68.09084	1.4
69.65432	12.0
77.01861	1.7
79.05483	3.9
81.07059	3.1
91.05476	7.4
93.07052	2.8
95.04955	2.7
98.21487	3.1
103.05440	3.4
105.07019	7.1
107.04965	12.2
111.39818	1.9
115.05447	4.6
117.07023	5.2
119.04903	2.9
119.08600	2.2
120.68810	1.6
121.06511	8.7
123.04416	2.5
126.38268	1.7
128.06177	4.3
129.07018	2.5
131.04941	2.2
132.05750	2.3
133.02834	1.8
133.06487	6.1
135.08025	6.9
136.05247	2.1
137.05951	1.8
141.06946	1.7
143.08551	9.0
145.06557	3.0
147.04398	6.7
147.08057	6.8
148.05193	2.4
149.06003	5.1
150.64224	1.8
151.07565	11.6
153.05463	4.4
154.06209	2.4
155.54240	2.0
159.07988	1.8
160.05220	1.7
161.05988	11.4
161.39670	1.7
162.06772	4.5
163.03951	2.1
163.07556	11.4
164.08348	2.4
165.05504	5.6
166.06210	9.7
167.07030	5.7
168.07867	8.6
171.08041	5.5
174.06769	1.9
175.07567	2.2
175.11145	2.2
176.08287	5.4
177.05473	7.4
177.09090	4.5
178.06244	4.6
178.09885	16.5
179.07042	6.9
179.10632	3.5
180.07803	6.5
181.08597	32.6
187.07491	2.7
189.09097	1.7
191.07001	3.4
192.07838	9.8
193.08583	4.8
194.09378	17.0
195.10162	26.5
203.10672	12.4
205.08696	2.3
206.09447	3.8
207.10126	14.2
209.11736	100.0
210.12073	2.8
218.12996	2.1
219.10225	1.8
220.10971	3.5
220.89302	1.6
221.11722	2.8
235.13283	25.5
249.14836	6.2
283.20819	1.7
315.19568	1.9
403.25327	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	403.1747
Annotation	Tupichilignan A
Peak:m/z	Relative Intensity
53.03940	4.6
55.01867	4.0
55.05501	3.3
57.03432	2.1
57.07047	1.9
58.24582	1.6
59.01377	1.6
61.34300	1.7
65.03938	2.2
66.21606	1.6
67.05502	4.8
69.03429	6.6
69.07069	1.8
70.06582	5.6
70.43388	8.0
72.08155	6.0
78.04681	2.1
79.05496	9.7
81.03401	2.8
81.07057	2.8
83.04984	2.2
84.08153	5.3
85.02901	8.2
86.09702	11.3
91.05486	10.2
93.07044	3.4
95.04959	20.1
95.08596	3.5
96.84788	1.8
96.85410	1.6
97.02882	4.1
103.05445	4.5
105.07025	20.0
106.04202	2.2
107.04951	21.4
107.08584	2.5
109.02857	1.9
109.10138	2.6
110.88809	1.6
111.04376	1.9
111.08098	2.9
115.05463	4.4
119.04957	1.7
120.08100	5.0
121.06504	48.1
121.10141	3.2
123.04417	23.0
123.08073	2.4
124.05211	3.5
125.05991	3.4
127.03934	3.4
128.06219	6.3
129.07011	18.8
129.10251	2.5
131.08556	5.8
132.05725	1.7
133.06473	17.1
135.08058	2.6
137.05963	8.8
137.09657	2.1
140.04665	3.7
141.06995	3.8
143.08540	2.9
144.05736	2.2
145.06496	2.7
146.07259	2.6
147.04398	4.1
149.05966	3.7
151.07568	5.0
153.12732	1.9
155.07059	9.2
155.08249	2.3
157.06497	7.8
159.08025	8.5
161.05974	19.0
161.09630	5.8
163.07512	2.7
165.09111	1.7
167.07036	100.0
170.07297	4.7
171.07994	2.9
174.06752	3.4
175.04062	1.8
175.07454	2.5
177.05466	2.2
177.12769	2.0
179.07063	2.7
179.10623	2.2
181.04919	13.3
181.08592	10.1
181.09973	2.0
183.06522	17.7
187.07527	8.4
189.09134	15.7
191.07127	4.3
193.08565	12.4
195.10197	3.5
199.07573	3.7
202.06210	2.3
205.12097	3.5
211.09486	2.0
216.07719	2.9
217.03294	2.0
219.10194	7.0
221.09644	4.1
221.11670	31.1
223.13297	10.5
231.10089	8.6
233.09770	2.6
235.07664	3.1
235.09659	12.5
249.09035	2.5
249.11211	12.1
261.09177	4.1
263.07025	2.5
278.09430	5.6
279.10114	3.2
282.08585	2.3
293.11783	7.1
293.14905	1.8
297.10999	2.5
321.11331	7.5
325.14392	1.9
343.11700	2.4
353.13916	9.9
370.13925	4.2
385.16406	18.5
396.12302	2.0
403.13498	6.5
403.18134	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	403.1748
Annotation	Arzanol
Peak:m/z	Relative Intensity
53.03932	3.0
53.62565	0.9
55.01858	1.7
56.36581	1.0
57.84164	0.9
64.70764	1.0
65.03922	1.7
67.05492	2.0
70.69864	3.2
71.75061	1.2
77.92826	1.0
78.04700	1.9
79.05489	11.3
81.07056	1.4
91.05492	6.1
93.07048	1.6
95.04956	11.4
103.05458	1.6
104.61462	1.0
105.07024	10.8
106.04194	1.2
107.04949	23.7
115.05441	3.1
116.06248	1.4
117.84209	1.1
119.04960	1.8
121.06497	2.6
122.03680	1.2
123.04432	13.2
124.05205	5.7
125.05992	1.5
128.06242	3.1
129.07005	11.1
131.08562	6.8
133.06500	9.0
135.08073	1.4
137.05960	5.4
140.04659	3.8
141.07004	1.9
144.05685	3.2
146.07283	2.2
147.04355	1.4
149.05952	1.1
151.04080	1.1
152.04698	3.0
153.05472	1.1
155.07013	4.0
157.06505	4.0
158.07188	1.3
159.08028	7.5
161.05963	9.6
161.09604	3.6
163.07620	2.2
166.06310	1.0
167.03387	3.9
167.07030	100.0
168.07365	2.9
170.07231	9.3
171.07991	2.1
174.06810	2.0
175.07617	1.9
177.05457	2.0
179.07066	2.9
180.07848	1.1
181.04955	8.4
181.08585	10.2
182.05345	1.5
183.06554	10.6
187.07553	11.7
188.08224	1.9
189.07445	1.2
189.09088	9.1
191.07042	2.0
193.08582	3.9
195.10123	1.4
198.06676	2.3
202.06294	1.3
203.10663	1.8
204.07800	7.1
205.08568	1.5
207.08095	1.5
215.07024	1.0
216.07829	4.1
217.08650	1.2
219.08070	1.8
219.10051	8.5
221.06003	1.8
221.11732	16.7
222.12209	1.2
231.10158	18.4
233.09724	2.8
235.09581	8.5
237.11084	1.0
247.07585	1.8
249.09019	2.0
249.11243	8.1
260.08151	1.3
261.09140	3.6
262.10147	1.2
263.06995	2.2
263.10757	1.1
264.07843	1.8
265.08759	1.6
265.12088	1.9
267.06500	2.7
278.09329	5.0
279.10376	1.0
282.08890	3.1
293.11795	4.9
294.12250	1.1
295.09668	2.3
296.10318	1.1
307.09506	2.1
310.08411	2.7
310.12076	1.3
321.11240	6.2
322.11377	0.9
323.09253	1.9
325.14346	3.2
328.09280	1.5
330.10571	1.9
338.11618	1.6
339.12268	2.1
343.11774	11.5
353.13916	7.7
354.14612	1.7
355.11707	1.5
357.13034	1.0
370.14435	1.1
385.16461	21.0
386.16818	2.4
403.13272	0.9
403.17682	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Arzanol
Peak:m/z	Relative Intensity
50.35654	0.9
53.03944	3.1
55.01859	1.3
65.03956	1.2
67.05499	2.6
69.03434	1.6
78.04688	2.6
79.05495	12.2
81.03375	1.2
81.07063	2.9
85.02902	1.7
91.05484	6.5
93.07050	1.0
95.04965	15.1
95.93226	1.0
98.20784	2.4
102.20737	1.1
103.05460	3.4
105.07029	15.2
106.04152	1.0
107.04956	25.4
115.05453	4.4
117.07033	1.6
118.04169	1.6
119.04978	1.5
121.06499	3.5
123.04424	20.4
124.05202	4.4
125.05990	2.6
128.06212	3.8
129.07011	11.8
131.04900	2.6
131.08565	5.7
132.05748	1.0
133.06497	15.9
137.05984	6.8
138.20406	0.9
140.04697	4.0
141.06999	2.6
141.59190	1.2
143.08647	1.6
144.05708	2.0
145.06442	1.0
146.07269	2.8
147.04453	3.1
147.07988	1.1
149.05925	1.0
151.03893	1.8
152.04704	2.5
153.05534	0.9
155.07053	7.3
157.06490	5.1
159.08064	7.2
161.05998	14.4
161.09604	7.8
163.07545	2.4
166.06245	1.3
166.62242	1.0
167.07042	100.0
168.07416	4.0
170.07289	5.8
171.07947	1.6
174.06728	1.7
175.07555	3.5
177.34700	0.8
179.07048	1.7
181.04965	7.6
181.06281	1.1
181.08597	9.2
181.40527	1.2
183.06537	16.6
187.07545	11.3
188.08286	1.2
189.09102	13.1
191.07042	1.8
192.07777	1.5
193.08630	6.4
195.10197	3.4
199.07576	1.1
204.07854	3.6
207.08197	1.4
216.07857	3.0
217.08656	1.1
219.10120	7.5
220.07295	1.4
221.09755	1.0
221.11717	26.2
222.12187	1.1
231.10162	15.8
233.09604	3.8
234.34818	1.0
235.07477	2.7
235.09686	9.3
236.08220	1.3
249.08972	1.7
249.11235	12.6
250.09895	1.6
260.08380	1.2
261.09195	4.0
263.07123	2.5
264.07727	1.3
265.12131	1.4
277.08551	2.7
278.09467	3.4
282.08868	2.4
289.08890	1.5
290.09250	1.2
292.11020	1.3
293.11707	5.7
294.12222	1.3
295.09698	1.7
306.08893	0.9
307.09659	2.1
310.08286	1.5
315.08414	1.3
321.11331	7.2
324.09970	1.4
325.14340	3.8
330.10938	1.7
338.11661	1.7
343.11765	4.5
353.13861	8.7
355.11487	1.3
366.68176	1.1
370.14087	1.5
385.16425	21.1
386.16458	1.2
403.17661	12.1
404.18179	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
54.91330	0.9
55.01846	1.7
59.82412	1.0
60.59462	1.0
65.03918	1.1
67.05476	2.0
71.32935	2.7
78.04690	1.8
79.05498	10.7
81.07042	1.2
91.05467	7.0
93.07034	2.2
95.04963	10.9
103.05448	3.5
105.04491	1.2
105.07028	10.4
106.04151	1.9
107.04270	2.0
107.04951	25.4
115.05437	3.7
115.06201	1.1
116.06228	1.7
117.68044	1.0
119.04941	1.2
119.08586	1.3
120.05678	1.1
121.06483	2.0
123.04437	13.1
124.05173	4.4
125.05964	1.3
128.06204	3.1
129.07004	8.7
131.04974	1.6
131.08574	6.2
133.06462	8.5
135.08041	1.4
136.05168	1.6
137.05969	4.0
140.04619	1.8
141.06967	2.4
142.07819	1.0
143.08597	1.3
144.05705	2.9
145.06500	1.3
146.07246	1.5
146.43994	1.0
147.04305	1.5
149.05946	1.3
151.03867	1.4
152.04672	2.9
155.07048	2.7
157.06474	2.9
159.08049	10.2
161.05931	10.7
161.09601	2.8
163.07541	1.8
167.07036	100.0
168.07372	2.2
169.07605	1.2
170.07243	7.5
173.06007	1.3
173.09520	1.0
174.06735	2.3
175.07526	1.3
178.07910	1.3
179.07043	1.7
181.04970	7.2
181.08589	9.9
183.06517	9.8
187.07555	17.7
188.07976	1.4
189.05438	1.5
189.09103	9.6
190.07793	1.2
191.06964	1.6
193.08589	4.7
195.10162	1.7
198.06683	1.8
203.10648	1.3
204.07787	8.6
205.08588	1.2
216.07764	3.9
219.10101	10.5
221.06024	1.6
221.11725	14.0
231.10144	17.4
233.09633	3.1
235.07452	2.8
235.09651	6.8
239.06824	1.3
249.11255	7.2
250.09749	1.7
260.08295	1.4
261.09164	2.7
263.06992	2.5
267.06473	2.8
275.10504	1.5
278.09354	3.9
279.10059	1.6
282.08774	4.5
282.11746	1.0
289.08575	1.3
291.10040	1.5
293.11673	6.3
295.09561	1.2
306.08731	1.8
307.09558	1.7
310.08295	1.2
310.11752	1.3
315.08673	3.1
321.10995	5.8
325.14212	2.1
328.09500	2.9
330.10895	3.0
337.10693	1.5
338.11395	2.2
339.12198	1.9
343.11813	10.0
353.13785	7.2
354.14832	1.2
385.16495	19.8
386.16507	1.9
403.17493	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.05503	1.0
67.05499	1.5
68.42434	0.8
69.03407	1.4
69.69324	7.6
70.17693	0.9
78.04706	1.6
79.05481	9.6
81.03419	2.6
81.07065	1.5
88.04556	0.9
91.05474	8.9
93.07050	2.3
95.04420	0.9
95.04954	5.8
95.08624	2.0
97.06538	1.4
103.05457	2.7
105.04535	1.0
105.07019	4.6
106.04153	1.4
107.04955	22.1
107.08613	1.9
109.06512	1.5
109.10099	1.0
115.05457	3.4
116.06257	1.0
117.07021	3.0
117.69118	0.9
119.04972	1.4
119.08608	1.0
121.06492	2.8
121.10166	1.0
123.04424	7.2
124.05167	3.1
125.05969	3.4
125.98511	1.0
128.06200	2.8
129.07008	9.4
131.04933	3.7
131.08578	8.7
133.06470	4.1
133.10152	1.3
135.08075	1.1
137.05962	4.1
140.04736	1.4
141.06982	4.2
143.08482	1.3
144.05707	4.4
145.06482	2.5
147.08069	1.3
149.06000	1.6
151.03891	2.0
152.04646	2.5
153.05457	3.0
155.07014	1.1
156.45221	0.9
157.06487	2.7
159.04413	5.8
159.08041	13.6
161.05986	6.2
161.09592	2.5
163.03952	1.2
165.05511	1.7
167.03406	4.9
167.07033	100.0
168.07382	3.0
169.04776	1.1
169.07600	1.6
170.07230	4.3
173.05940	2.4
175.07538	1.9
177.05583	1.4
177.07573	0.9
179.06932	1.7
181.04959	7.2
181.06364	1.3
181.08536	7.1
183.06577	4.3
187.07538	22.2
189.05457	1.9
189.09058	6.5
191.07024	2.9
191.08614	1.1
193.08624	2.6
195.08147	1.7
195.10208	1.2
197.08072	1.4
198.06754	1.5
199.07460	1.8
203.10635	1.6
204.07793	9.1
205.08508	1.3
207.10130	1.4
208.05243	1.1
216.07657	2.2
217.08492	1.2
219.06483	3.8
219.10135	15.0
221.08150	2.7
221.11632	4.8
231.10144	14.3
233.09616	1.9
235.07553	2.2
235.09656	2.7
239.06958	1.1
247.07376	0.9
249.08937	1.1
249.11229	4.1
261.09164	2.0
263.07108	1.5
277.08472	1.2
278.09317	3.4
279.10178	1.5
281.07983	1.3
282.08862	1.9
293.08359	1.1
293.11630	2.5
295.09686	1.7
306.08734	1.8
307.09595	1.3
310.08170	1.5
315.08585	1.9
316.89633	1.1
321.11246	3.5
323.08914	1.9
325.14340	3.2
330.10950	2.7
338.11359	1.3
339.12384	1.3
343.11810	6.0
353.13870	7.6
354.14618	1.6
373.12836	3.8
375.14316	1.0
385.16422	14.2
385.23636	2.0
403.13632	5.4
403.17004	1.2
403.18100	1.8
403.24789	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	403.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.6
59.49222	2.8
64.70441	3.0
70.00452	17.1
70.06587	5.3
72.08143	5.1
73.02899	3.9
84.00298	2.8
85.02899	4.1
86.09699	4.1
86.76900	3.3
98.97561	3.8
116.74442	2.8
119.01984	3.1
130.26671	3.1
169.03345	3.0
177.00842	3.1
219.01776	4.8
241.01089	82.7
403.06287	100.0
403.13879	10.4
418.53955	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	403.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.22843	0.5
55.01857	1.3
55.05498	1.8
57.03424	2.5
58.06602	9.9
67.05487	1.8
69.03426	1.0
69.07061	1.1
69.59238	2.6
69.59671	2.0
70.06575	2.2
71.04980	1.6
72.08165	3.8
74.06075	0.7
79.05492	1.7
83.08611	3.5
84.08127	1.5
85.02900	2.3
86.09701	10.1
88.03977	1.9
91.05492	3.4
93.07041	1.7
95.04941	1.2
95.08573	0.9
97.02882	1.3
97.06545	0.6
98.21484	1.2
99.04414	0.8
105.07001	0.7
107.04945	1.0
109.02863	0.7
111.08054	1.3
119.04922	2.0
121.06484	1.3
122.03634	1.1
127.03919	1.3
129.10233	0.8
132.10185	0.8
133.04910	1.1
137.05974	77.2
138.06358	1.0
139.07529	0.9
145.04958	0.9
147.04466	0.7
149.05972	0.6
151.07515	2.3
153.05461	0.9
157.08594	1.1
157.13452	0.7
161.05984	1.0
163.07565	0.8
164.04703	5.7
165.05325	0.6
167.07054	2.2
169.04948	1.1
173.12810	1.0
175.07550	3.2
175.09660	1.8
176.04674	0.8
177.05466	1.0
177.09236	0.7
179.07034	100.0
180.07420	1.8
185.12914	1.0
189.12361	1.0
193.08617	0.8
201.12466	0.8
203.14143	0.7
215.86496	0.6
217.08565	1.3
235.09630	0.7
253.10687	25.6
254.11273	0.7
271.11728	3.2
311.11325	1.8
403.15475	1.0
403.19080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85756	6.4
55.05518	7.7
64.59353	5.7
67.05499	22.8
69.07074	48.7
70.45248	26.7
79.05484	22.9
81.07060	45.9
83.08612	7.3
85.06541	9.1
86.92152	6.5
88.07652	9.3
91.05483	20.7
93.07034	49.4
95.08605	60.0
100.45197	7.1
105.07035	55.7
107.08594	26.6
108.80646	6.4
109.10147	19.5
117.07013	14.9
119.08576	42.6
120.08820	5.7
121.10135	36.9
129.06996	10.7
131.08583	31.8
133.10167	37.6
135.11739	17.0
139.07529	13.0
143.08540	23.4
145.10172	31.3
147.11678	20.8
155.08554	12.9
157.10097	20.4
159.11714	100.0
161.13252	29.6
163.11255	9.9
163.14839	17.5
169.10245	9.7
171.11665	17.4
173.13181	7.5
175.11377	9.5
177.12779	28.4
178.12802	6.5
179.14323	10.6
181.10052	6.7
183.11671	12.3
185.13255	11.4
187.14769	8.3
189.12750	51.0
195.11636	7.5
197.13284	11.6
199.14871	10.0
211.14761	9.7
213.16299	14.1
216.34761	6.1
223.14812	8.5
225.16367	12.3
225.31018	6.8
251.17970	7.4
253.19626	23.6
265.19666	13.8
271.20551	17.9
299.20148	9.4
309.22104	6.7
316.91400	6.9
317.20886	6.3
321.25742	24.7
339.26843	40.2
340.35770	12.6
349.25330	15.3
367.26254	28.3
375.23441	6.9
402.39359	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	402.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.1
63.92309	13.8
64.30215	10.6
65.19293	10.9
67.05492	24.1
69.07069	100.0
69.94483	31.0
69.94894	44.1
72.07741	11.0
76.45862	10.9
79.05491	31.6
81.07043	89.5
83.32458	10.4
91.05469	25.3
93.07037	55.6
95.08607	52.3
97.10105	12.4
98.21532	10.9
101.54440	12.5
105.07027	93.0
107.08573	68.7
109.10149	23.2
110.53120	13.5
118.12219	11.3
119.08582	50.9
121.10143	35.0
129.06958	10.6
131.08582	31.6
133.10115	55.9
135.11665	49.1
137.13268	13.1
139.07561	38.6
145.10161	28.6
147.11696	27.2
157.10139	27.4
159.11691	83.5
161.13252	79.0
163.14828	34.1
167.66937	12.7
169.10066	17.2
171.11740	23.0
173.13266	14.2
177.12781	65.0
179.14313	17.7
181.10072	13.8
184.22720	11.9
197.13251	13.6
199.14828	13.8
201.16457	12.0
213.16397	16.4
225.16277	28.1
239.18108	11.3
241.19608	11.4
251.17847	18.5
253.19615	23.9
265.19415	29.0
267.08472	12.3
271.16861	10.7
271.20630	13.9
299.19958	24.2
317.21060	24.5
321.25702	58.8
339.26810	74.0
340.35876	19.4
367.26169	37.8
385.27438	17.1
402.39365	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63604	9.3
53.99842	10.4
55.01862	9.4
55.05523	50.0
57.03436	17.6
59.00828	9.1
67.05507	100.0
69.07071	80.2
69.82220	54.1
79.05497	77.1
81.07056	88.3
83.08623	31.4
91.05476	71.3
93.07036	66.4
95.04985	17.2
95.08601	48.5
95.95081	11.3
97.06526	22.9
97.10144	38.4
98.21485	18.2
105.07033	54.5
107.04925	17.3
107.08574	57.1
109.10152	22.4
117.07008	22.4
119.08591	31.0
121.10129	25.1
123.11710	11.8
125.09626	27.2
129.07021	12.7
131.08574	16.3
133.10132	30.5
135.11678	19.7
139.42812	10.5
145.10083	24.8
147.11725	13.7
149.09593	17.3
149.13222	18.2
159.11665	26.7
167.07053	28.0
177.12692	11.7
181.04936	14.6
189.11217	24.7
193.08644	12.6
199.07510	10.4
227.12801	42.1
245.14014	13.3
253.17931	11.3
255.15974	23.2
269.17459	45.9
275.20114	43.9
286.20062	50.8
349.23737	35.7
384.27142	12.2
402.28464	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	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63604	9.3
53.99842	10.4
55.01862	9.4
55.05523	50.0
57.03436	17.6
59.00828	9.1
67.05507	100.0
69.07071	80.2
69.82220	54.1
79.05497	77.1
81.07056	88.3
83.08623	31.4
91.05476	71.3
93.07036	66.4
95.04985	17.2
95.08601	48.5
95.95081	11.3
97.06526	22.9
97.10144	38.4
98.21485	18.2
105.07033	54.5
107.04925	17.3
107.08574	57.1
109.10152	22.4
117.07008	22.4
119.08591	31.0
121.10129	25.1
123.11710	11.8
125.09626	27.2
129.07021	12.7
131.08574	16.3
133.10132	30.5
135.11678	19.7
139.42812	10.5
145.10083	24.8
147.11725	13.7
149.09593	17.3
149.13222	18.2
159.11665	26.7
167.07053	28.0
177.12692	11.7
181.04936	14.6
189.11217	24.7
193.08644	12.6
199.07510	10.4
227.12801	42.1
245.14014	13.3
253.17931	11.3
255.15974	23.2
269.17459	45.9
275.20114	43.9
286.20062	50.8
349.23737	35.7
384.27142	12.2
402.28464	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	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83596	3.7
55.05506	13.2
57.07066	4.6
65.03951	4.8
67.05505	19.1
69.07061	15.2
69.65293	10.7
69.65718	15.4
71.04984	13.1
79.05491	26.8
81.07072	28.1
83.08630	4.1
85.06512	3.1
91.05482	53.1
93.07050	50.1
95.04953	11.9
95.08611	30.8
103.05480	4.3
104.83440	3.7
105.07031	100.0
107.08599	45.2
109.06521	64.3
109.10116	16.2
111.08073	6.1
115.05463	9.8
117.07017	22.5
119.08572	90.5
121.10122	24.4
123.08040	5.2
123.11733	4.8
128.06221	14.7
129.07013	19.7
130.07756	10.1
131.08560	62.4
133.10127	91.9
135.08066	18.5
135.11696	19.8
137.09669	5.7
141.06943	5.5
142.07768	26.4
143.08566	51.6
144.09312	6.8
145.10118	94.5
147.08072	8.5
147.11623	19.3
149.09621	4.7
153.06960	5.5
155.08536	23.8
156.09344	22.9
157.10144	65.6
158.10876	11.2
159.07993	5.5
159.11664	37.3
161.09619	9.9
161.13228	6.8
165.06998	5.4
167.07132	7.6
167.08598	13.2
168.09392	9.9
169.10143	33.0
170.10878	12.5
171.11687	33.3
172.12331	4.5
173.13245	45.4
175.14798	16.7
179.08572	9.6
180.09352	5.1
181.10153	13.9
182.10875	9.9
183.11696	30.2
184.12334	4.2
185.13278	16.8
187.14816	54.5
192.09332	5.1
193.10156	14.0
194.10892	14.5
195.11699	22.7
196.12523	4.6
197.13216	18.9
199.14801	24.6
201.12823	8.8
206.10939	8.5
207.11649	15.4
208.12460	7.8
209.13237	30.7
211.14861	11.7
213.16298	4.6
215.14250	3.1
219.11636	5.5
220.12531	6.2
221.13235	17.0
223.14909	15.9
225.16327	8.4
231.11797	4.4
233.13283	7.8
235.14803	10.8
237.16380	12.4
239.17920	6.3
245.13229	4.1
246.14032	5.7
249.16383	4.7
251.17915	4.2
261.16483	7.0
263.17990	8.0
265.19470	9.9
275.17953	3.9
277.19473	8.6
279.21234	4.2
315.08746	4.8
330.10706	6.0
337.25153	4.9
343.24155	6.2
401.28369	46.2
403.52939	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2685
Annotation	Aeginetin
Peak:m/z	Relative Intensity
55.05514	15.2
56.49764	6.2
67.05493	24.0
69.07061	43.8
69.49762	27.2
69.50202	38.1
71.05021	7.7
73.90032	6.6
79.05495	21.7
81.07042	44.3
83.04980	7.2
83.08602	12.2
85.06539	51.8
91.05472	33.2
93.07041	53.1
95.08605	53.0
98.20753	11.3
99.08086	52.5
99.17286	6.9
105.07039	76.5
107.08587	56.8
109.10154	32.9
117.07016	14.3
119.08562	57.2
121.10152	22.4
123.11731	10.0
128.06195	7.6
129.07042	33.5
131.08549	35.8
133.10139	25.9
135.08012	7.5
135.11734	17.2
141.06976	16.2
142.07831	10.8
143.08574	46.9
144.24878	6.8
145.10172	56.3
147.11697	30.7
151.11203	7.9
155.08588	33.9
157.10132	61.2
159.11684	40.4
161.13257	34.5
163.14870	9.7
167.08582	19.3
168.09293	7.4
169.10204	40.3
171.11736	36.5
173.13263	29.2
175.11208	11.7
181.10164	35.5
183.11714	61.9
185.13287	31.0
187.11116	8.4
187.14757	17.3
189.12755	7.4
193.10164	8.1
195.11719	34.3
197.13242	57.4
199.14798	34.6
201.16434	11.7
207.11682	14.5
209.13242	46.5
210.34914	7.3
211.14809	57.3
213.16397	19.1
215.14275	8.5
221.13310	20.2
223.14812	96.3
225.16451	24.5
227.18034	20.1
229.15933	9.9
235.14810	9.0
237.16331	48.7
239.17978	32.4
241.19568	14.5
251.17966	11.4
257.15198	9.2
263.17969	27.6
265.19507	20.8
267.17532	7.9
267.21030	11.6
269.19016	11.3
269.22659	8.5
275.16510	11.7
277.19510	36.6
279.21066	82.6
281.19312	12.8
281.22641	30.4
283.16949	8.1
287.20114	8.5
295.20511	12.2
295.24350	6.8
297.22006	10.4
309.18579	8.9
311.23737	8.6
319.24133	43.9
321.25800	25.0
325.21686	22.7
337.25250	81.8
339.26822	29.3
347.23828	8.9
355.26273	36.9
365.24774	100.0
366.25226	8.5
383.25751	57.8
401.26773	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2683
Annotation	Aeginetin
Peak:m/z	Relative Intensity
53.03941	2.0
55.05500	12.3
57.07061	8.7
67.05507	20.3
69.07066	100.0
69.56874	9.0
69.57296	7.7
71.04980	4.1
71.08627	3.5
79.05491	17.5
81.07056	34.5
82.49464	2.1
83.04963	5.4
83.08610	7.9
85.06540	21.2
85.10150	2.4
90.53838	2.3
91.05479	22.6
93.07039	61.3
95.04977	7.2
95.08598	59.5
97.02882	4.9
97.06510	2.7
98.21523	4.6
99.04481	10.6
99.08049	3.1
101.06099	2.0
105.07017	45.8
105.07670	3.5
107.08586	35.8
109.06537	5.5
109.10137	25.0
111.08082	7.9
111.09011	1.8
113.09654	3.7
117.06995	11.5
119.08566	48.2
121.06504	9.0
121.10140	26.3
123.08051	7.5
123.11712	5.3
128.06219	3.5
129.06976	10.6
131.08559	26.2
133.06506	4.3
133.10126	30.1
135.08058	3.6
135.11676	12.4
137.09624	5.1
139.07541	18.2
141.07112	3.2
142.07803	6.0
142.41966	2.1
143.08545	24.9
145.10118	34.1
146.10500	2.6
147.08026	3.8
147.11685	18.9
149.09634	5.0
149.13324	5.5
151.07516	3.6
151.11195	5.6
155.08543	12.9
156.09315	5.0
157.10117	34.5
159.11690	29.7
161.09627	7.5
161.13248	21.9
163.11198	3.4
163.14790	5.9
167.08577	3.7
169.10110	17.0
170.10823	3.2
171.11650	24.3
173.09592	3.4
173.13268	26.1
174.14050	4.1
175.11189	14.9
175.14778	10.3
177.12766	9.0
180.09210	2.1
181.10095	7.6
182.10892	3.6
183.11649	20.1
185.13234	18.8
187.11189	2.4
187.14734	12.0
189.12724	8.0
189.16327	2.7
191.14297	5.1
193.10196	3.7
193.12190	2.9
195.11682	13.1
196.12558	3.1
197.13254	23.5
199.11198	2.9
199.14786	14.1
200.15547	3.1
201.16396	13.6
203.10675	2.3
207.13712	4.7
208.12421	3.6
209.13206	15.2
210.13971	3.4
211.14807	29.3
212.15582	11.3
213.16351	18.8
215.14268	3.2
219.13799	3.2
221.13251	5.4
223.14783	30.0
225.16377	10.6
227.18002	13.0
229.12210	3.4
229.15903	16.2
231.13947	2.9
237.16396	13.9
239.14354	3.7
239.17981	5.6
239.23724	4.1
241.15872	3.9
242.20314	6.3
243.17471	4.5
247.16862	3.5
249.16371	4.8
251.17819	12.3
252.18768	4.8
253.19469	8.2
255.17479	5.6
255.21002	4.2
257.15369	7.2
263.17957	11.6
265.19479	4.2
267.17581	3.4
267.20953	3.2
269.18948	41.2
270.19757	46.0
271.20398	4.9
275.16464	9.9
279.21124	20.7
281.19089	15.7
283.20444	2.4
285.21991	3.5
287.20093	13.7
295.20694	3.6
295.24268	3.0
297.18692	5.0
297.22018	3.1
299.20175	3.8
307.20572	2.8
309.18503	3.7
311.23581	3.3
315.19586	6.7
319.24185	9.4
321.25827	3.5
325.21503	5.7
333.20685	5.0
337.25232	43.0
338.25833	2.9
339.26868	5.5
341.24850	3.6
347.23605	2.6
355.26334	19.3
365.24734	28.6
383.25830	30.8
401.26834	63.6
402.27243	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2687
Annotation	Aeginetin
Peak:m/z	Relative Intensity
53.03923	3.4
55.05505	14.7
57.07069	4.1
64.24924	3.3
65.03940	3.3
67.05499	26.4
69.03404	4.0
69.07066	51.9
70.02578	13.0
70.03001	9.1
71.04981	13.6
71.39564	3.1
79.05490	26.3
81.03413	6.1
81.07058	46.2
83.04967	10.0
83.08615	11.6
85.06537	27.3
91.05471	36.6
93.07047	65.8
95.04950	7.5
95.08608	58.9
97.06523	11.0
97.10196	4.2
99.04454	16.6
105.07023	89.2
105.07671	7.3
107.04997	3.8
107.08594	68.6
109.06512	9.7
109.10152	36.4
111.08076	6.3
117.07021	19.2
119.08575	64.2
121.06525	10.8
121.10136	54.3
123.08024	4.9
123.11699	8.2
123.42054	3.6
125.09624	5.1
128.06219	4.7
129.07027	8.6
131.08569	46.2
133.06490	8.7
133.10141	46.0
135.08006	11.1
135.11720	17.3
137.09605	11.5
139.07513	5.6
141.06970	6.5
142.07771	10.1
143.08562	25.1
144.09277	5.6
145.10133	35.6
147.08022	9.9
147.11670	35.1
149.09570	12.1
149.13208	11.5
149.97093	3.2
151.11230	7.1
155.08534	21.9
155.10640	3.3
156.09323	6.1
157.10167	43.2
158.10852	4.1
158.48412	3.4
159.08058	6.9
159.11685	55.2
161.09602	9.4
161.13248	54.3
163.11111	5.9
163.14865	16.8
167.08618	8.0
169.10077	26.4
171.08144	4.6
171.11687	23.1
173.09570	6.7
173.13309	21.5
175.11160	30.9
175.14812	10.3
177.12755	14.3
179.14284	22.8
181.10162	9.6
183.11667	19.9
185.09619	4.7
185.13246	20.1
187.11179	6.0
187.14825	11.9
189.12756	31.0
189.16359	4.3
190.72835	3.5
191.14322	10.8
193.10287	4.5
193.12148	5.7
195.11659	17.2
197.13274	19.1
199.14824	15.8
201.12878	4.6
201.16353	12.7
203.14294	8.5
205.12219	6.4
205.15894	5.7
207.11757	7.1
207.13818	18.8
209.13239	14.7
211.14790	24.1
213.12842	5.6
213.16466	10.8
215.14438	4.4
221.13272	8.3
223.14859	22.4
225.16316	17.8
227.14229	4.6
227.17958	6.2
229.15884	15.7
231.13933	6.2
235.14885	4.2
237.16373	12.5
239.17947	10.1
249.16505	6.6
251.17897	11.2
253.15700	5.6
253.19539	7.9
257.15488	5.7
263.17847	10.7
265.19666	5.0
267.17560	6.1
269.19040	12.5
277.19489	7.8
279.21130	17.4
281.19025	14.2
281.22369	6.9
287.20007	17.5
293.33820	3.8
297.18640	5.4
297.22192	6.3
299.20026	7.3
309.18600	5.0
309.26208	4.3
315.19415	8.8
319.24231	15.4
321.25854	13.2
325.21542	10.2
333.20694	8.6
337.25272	68.1
339.26859	12.4
341.24768	6.0
347.23621	7.6
355.26349	64.2
364.95667	3.7
365.24777	48.8
373.27280	10.5
383.25784	100.0
383.71994	3.7
384.26089	8.3
401.26834	89.7
401.38092	8.2
402.27271	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	401.2684
Annotation	Aeginetin
Peak:m/z	Relative Intensity
52.31614	3.4
53.03930	4.8
55.05509	20.8
57.07053	6.7
62.36092	3.4
67.05494	22.7
69.07064	100.0
70.69540	7.1
70.69932	9.0
71.04984	9.3
71.08606	3.7
79.05489	27.0
79.52784	3.7
81.07054	58.9
83.04975	5.3
83.08611	10.5
85.06535	33.2
91.05471	40.7
93.07035	71.9
95.04965	9.2
95.08594	47.4
97.06527	13.4
97.10144	5.5
99.04449	10.6
101.94551	3.6
103.05439	4.3
105.07019	99.6
107.08583	61.3
109.06480	6.4
109.10123	17.8
111.08073	6.8
111.30190	3.8
117.07009	22.4
119.08563	71.1
121.06483	13.2
121.10127	31.8
123.08082	4.8
123.11706	11.5
128.06223	6.0
129.06985	14.4
131.08577	37.9
133.06451	5.1
133.10110	58.5
135.07990	5.3
135.10771	4.1
135.11668	20.4
137.05948	5.3
137.09602	5.7
139.07527	38.0
141.06990	4.5
142.07787	14.2
143.08601	23.0
144.09302	6.1
145.10095	35.4
147.11707	17.9
149.13240	8.9
151.07535	14.5
154.15840	3.4
155.08521	13.6
156.09370	10.9
157.10127	42.3
159.11682	53.9
161.09590	6.8
161.13248	54.8
163.11211	6.7
163.14783	11.0
167.07022	4.2
167.08498	5.3
168.09370	4.9
169.10095	20.3
171.11682	23.5
173.13251	13.1
175.11189	25.0
175.14847	8.9
177.12741	12.6
181.10104	14.1
182.10999	3.9
183.11688	24.2
185.13245	16.2
187.14853	6.9
189.12715	15.2
193.10118	6.0
193.12282	3.9
194.10898	5.3
195.11674	16.3
196.12361	4.0
197.13255	17.8
199.14803	12.9
201.12685	6.6
201.16451	5.3
205.12253	10.0
207.11681	10.4
207.13783	15.9
209.13260	14.9
209.15063	4.4
211.14777	22.2
212.15585	4.2
213.12624	5.6
213.16423	6.9
213.36972	3.8
221.13330	5.9
222.13965	4.9
223.14874	12.1
225.16373	13.0
227.14256	6.9
227.17999	9.9
229.12282	6.0
229.15852	9.1
231.13776	8.6
237.16353	10.0
239.17877	5.6
241.12172	4.4
249.16324	5.4
251.17941	20.6
253.19566	6.0
255.17509	4.5
263.17984	7.2
269.19009	21.3
270.19766	3.7
279.21115	11.2
281.19037	9.9
287.20224	6.4
295.24161	5.2
297.18353	11.5
297.21921	4.9
299.20129	6.9
309.18665	6.0
309.25644	4.7
315.19589	16.3
319.24182	12.8
321.25809	5.5
325.21524	5.7
327.19675	4.1
333.20364	19.8
337.25226	46.1
338.25583	4.9
339.26666	5.5
343.24088	4.7
355.26202	17.4
365.24707	34.3
383.26108	13.3
401.19165	13.5
401.27560	55.9
402.28052	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	401.2687
Annotation	Aeginetin
Peak:m/z	Relative Intensity
54.58542	3.8
55.05498	11.8
57.07069	5.2
67.05506	24.4
69.03397	3.3
69.06723	6.0
69.07071	80.2
70.93950	11.3
71.04998	6.0
79.05490	22.3
81.07060	59.5
83.08612	10.9
83.09082	3.8
85.06541	41.7
90.39973	3.4
90.91879	3.1
91.05466	29.4
93.07046	75.9
95.04956	8.9
95.08605	65.9
97.06526	21.0
99.04469	5.0
99.08074	7.2
105.07024	100.0
107.04967	4.5
107.08595	57.4
109.06508	13.1
109.10151	29.5
110.31716	3.5
111.08075	8.5
117.07030	16.0
119.04959	4.7
119.07809	4.9
119.08590	59.6
121.06536	9.6
121.10148	41.3
123.08036	8.3
128.06223	5.4
129.07008	11.1
131.08577	48.4
133.06477	6.7
133.10141	61.6
135.08052	17.3
135.11691	27.1
139.07532	21.5
142.07805	13.9
143.08563	31.0
144.09286	4.4
145.10129	48.3
147.08044	8.7
147.11676	30.7
149.09621	6.3
149.13272	5.9
151.07520	6.0
151.11201	6.3
155.08531	19.6
156.09326	5.0
157.10150	49.0
159.08022	10.6
159.11702	66.7
161.09595	7.9
161.13255	36.9
163.11192	10.4
163.14838	15.4
165.06885	4.9
169.10114	21.5
171.11642	24.6
173.09541	8.7
173.13274	20.9
175.11189	41.9
175.14822	13.6
177.12799	21.0
179.14326	7.9
181.10132	15.2
182.10886	6.1
183.11679	23.3
185.09602	4.5
185.13290	16.3
185.35190	3.9
187.11137	8.6
187.14828	14.7
189.12747	30.6
189.16396	7.5
190.13510	6.5
191.10637	5.8
191.14259	19.0
193.12245	3.8
195.11668	22.4
197.13280	24.6
199.11177	5.5
199.14828	18.3
201.12627	7.3
201.16367	9.0
203.10773	3.9
203.14325	6.6
205.12158	6.6
207.11836	7.1
207.13756	8.2
209.13214	17.0
209.15123	7.4
211.14902	21.4
213.12709	9.4
213.16383	10.3
215.10695	3.7
215.14272	6.5
219.13689	4.6
221.13254	7.3
223.14798	24.7
225.12869	4.8
225.16383	13.9
227.17986	12.3
229.15852	6.9
231.13858	7.4
237.16391	14.4
239.14186	3.8
239.17921	12.6
241.15796	5.5
243.17464	5.9
249.16412	4.1
251.17902	20.9
253.15872	5.0
253.19492	8.6
255.17386	7.0
257.15094	4.1
263.18152	8.5
265.19574	8.5
269.18979	57.9
271.17206	5.7
273.18512	13.1
277.19525	9.7
279.21036	19.0
281.19077	12.3
281.22562	8.3
285.18280	5.4
287.20157	10.6
292.15085	3.6
295.24237	4.6
297.18405	14.4
297.21912	8.2
309.26071	4.2
315.19553	29.4
319.24210	18.5
321.25763	14.0
325.21448	6.5
327.19669	4.8
333.20615	8.9
337.25223	45.0
339.26636	7.5
341.24484	5.2
347.23895	5.4
355.26279	32.2
365.24796	49.2
383.25864	40.3
401.21933	6.0
401.26898	65.5
402.27393	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	401.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	21.1
57.07080	7.3
57.38422	3.4
67.05511	23.2
69.06786	4.5
69.07074	58.9
70.06590	7.9
71.04982	6.2
71.55724	4.1
71.56060	5.8
72.84493	4.5
79.05480	15.1
81.07052	34.4
83.04979	4.5
83.08609	13.4
85.06528	14.3
87.85308	3.7
88.07629	16.4
89.07962	7.0
91.05473	33.2
93.07043	62.8
95.08604	46.2
97.10161	4.2
99.04458	9.8
102.09164	4.3
105.07033	73.5
107.08587	56.7
109.06544	9.1
109.10159	22.4
111.08080	5.8
114.00026	4.2
117.07004	21.0
119.08587	41.4
121.06570	9.0
121.10133	31.7
123.08052	5.0
129.07013	9.7
131.08569	28.2
133.06490	4.2
133.10143	36.2
135.08061	7.5
135.11667	10.8
139.07530	14.6
142.07796	9.2
143.08604	21.3
144.09271	3.9
145.10121	32.2
147.11676	33.1
149.13257	12.0
151.07542	6.1
155.08545	15.9
156.09348	8.1
157.10144	34.2
159.11703	35.5
161.09630	7.9
161.13188	23.5
163.14815	14.3
167.07115	8.1
167.08473	4.5
168.09290	4.0
169.10117	12.3
171.11720	22.3
173.13277	18.1
173.24435	4.5
175.11182	16.1
175.14832	5.9
177.12848	7.0
179.08470	6.2
179.14354	6.5
181.10071	10.7
183.11710	16.3
185.13272	17.6
187.07469	5.5
187.14755	14.5
189.12782	12.8
191.14400	4.9
195.11728	11.3
197.13194	19.3
199.14842	18.7
200.15750	5.0
201.16411	9.8
207.11806	6.1
207.13739	4.3
209.13261	15.3
211.14793	23.9
213.16335	13.2
223.14879	12.6
225.16295	10.5
227.17924	11.4
229.15918	7.9
237.16412	8.5
239.17865	6.1
242.20163	6.4
244.18192	4.7
245.15289	4.6
251.17973	13.3
252.18660	6.2
253.19484	5.9
263.17987	11.0
269.19012	17.0
270.19669	12.2
277.19617	4.2
279.21078	17.4
281.19171	8.6
281.22610	3.9
287.19998	4.9
296.98303	4.4
297.18594	6.4
297.22363	4.7
299.20227	7.5
313.25067	4.6
315.19736	7.7
319.24176	8.5
321.25812	8.2
325.21729	4.6
327.26727	4.2
330.10883	5.6
333.20642	8.3
337.25388	38.5
339.26852	5.4
339.34488	24.6
341.24838	5.7
355.26422	20.3
365.24597	20.9
383.25647	33.4
401.27014	43.9
401.38150	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	401.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58542	3.8
55.05498	11.8
57.07069	5.2
67.05506	24.4
69.03397	3.3
69.06723	6.0
69.07071	80.2
70.93950	11.3
71.04998	6.0
79.05490	22.3
81.07060	59.5
83.08612	10.9
83.09082	3.8
85.06541	41.7
90.39973	3.4
90.91879	3.1
91.05466	29.4
93.07046	75.9
95.04956	8.9
95.08605	65.9
97.06526	21.0
99.04469	5.0
99.08074	7.2
105.07024	100.0
107.04967	4.5
107.08595	57.4
109.06508	13.1
109.10151	29.5
110.31716	3.5
111.08075	8.5
117.07030	16.0
119.04959	4.7
119.07809	4.9
119.08590	59.6
121.06536	9.6
121.10148	41.3
123.08036	8.3
128.06223	5.4
129.07008	11.1
131.08577	48.4
133.06477	6.7
133.10141	61.6
135.08052	17.3
135.11691	27.1
139.07532	21.5
142.07805	13.9
143.08563	31.0
144.09286	4.4
145.10129	48.3
147.08044	8.7
147.11676	30.7
149.09621	6.3
149.13272	5.9
151.07520	6.0
151.11201	6.3
155.08531	19.6
156.09326	5.0
157.10150	49.0
159.08022	10.6
159.11702	66.7
161.09595	7.9
161.13255	36.9
163.11192	10.4
163.14838	15.4
165.06885	4.9
169.10114	21.5
171.11642	24.6
173.09541	8.7
173.13274	20.9
175.11189	41.9
175.14822	13.6
177.12799	21.0
179.14326	7.9
181.10132	15.2
182.10886	6.1
183.11679	23.3
185.09602	4.5
185.13290	16.3
185.35190	3.9
187.11137	8.6
187.14828	14.7
189.12747	30.6
189.16396	7.5
190.13510	6.5
191.10637	5.8
191.14259	19.0
193.12245	3.8
195.11668	22.4
197.13280	24.6
199.11177	5.5
199.14828	18.3
201.12627	7.3
201.16367	9.0
203.10773	3.9
203.14325	6.6
205.12158	6.6
207.11836	7.1
207.13756	8.2
209.13214	17.0
209.15123	7.4
211.14902	21.4
213.12709	9.4
213.16383	10.3
215.10695	3.7
215.14272	6.5
219.13689	4.6
221.13254	7.3
223.14798	24.7
225.12869	4.8
225.16383	13.9
227.17986	12.3
229.15852	6.9
231.13858	7.4
237.16391	14.4
239.14186	3.8
239.17921	12.6
241.15796	5.5
243.17464	5.9
249.16412	4.1
251.17902	20.9
253.15872	5.0
253.19492	8.6
255.17386	7.0
257.15094	4.1
263.18152	8.5
265.19574	8.5
269.18979	57.9
271.17206	5.7
273.18512	13.1
277.19525	9.7
279.21036	19.0
281.19077	12.3
281.22562	8.3
285.18280	5.4
287.20157	10.6
292.15085	3.6
295.24237	4.6
297.18405	14.4
297.21912	8.2
309.26071	4.2
315.19553	29.4
319.24210	18.5
321.25763	14.0
325.21448	6.5
327.19669	4.8
333.20615	8.9
337.25223	45.0
339.26636	7.5
341.24484	5.2
347.23895	5.4
355.26279	32.2
365.24796	49.2
383.25864	40.3
401.21933	6.0
401.26898	65.5
402.27393	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.98445	2.0
55.01867	3.9
55.05503	2.0
65.03915	4.1
67.05471	3.1
69.03432	2.1
69.07056	2.6
71.64294	2.2
73.97794	1.8
78.04689	2.7
79.05489	21.1
81.03395	1.9
81.07042	5.7
85.02889	2.6
85.06526	2.1
90.52780	1.8
91.05477	9.6
93.07032	5.0
95.04964	5.2
95.08586	3.2
97.02899	2.2
97.74335	1.7
103.05437	3.1
103.09727	1.6
105.04512	2.2
105.07009	2.9
105.45599	1.9
107.04942	32.4
107.08588	7.1
109.06458	3.0
109.10108	2.5
115.05433	5.6
116.06180	3.1
117.07017	3.4
123.04420	6.0
124.05193	9.7
125.05976	5.0
128.06166	4.0
129.06976	6.6
131.08553	9.4
135.11662	16.8
137.06061	2.6
137.09680	1.6
141.06967	3.0
144.05676	8.4
145.06445	7.3
145.10139	2.4
152.04642	3.7
153.01834	10.5
156.05707	15.0
157.06471	4.4
158.07216	3.5
159.08070	14.2
161.05946	3.7
167.07033	100.0
168.07440	2.0
169.06482	3.1
171.06549	2.3
173.05978	5.9
174.06732	3.3
175.07504	2.2
177.05498	4.1
179.07039	2.4
181.04961	42.7
181.06506	3.4
181.08571	5.2
182.93239	1.9
184.05200	5.1
186.06776	5.4
187.07443	12.3
189.07085	1.9
189.09100	5.0
190.06274	3.2
190.07854	2.2
191.07033	2.6
191.08557	4.2
193.08641	2.8
195.06488	4.9
195.08078	2.6
202.06209	7.8
202.07878	2.8
203.08640	3.4
203.10608	3.3
205.06885	2.8
205.08566	14.2
207.06522	7.4
208.05177	25.4
209.07909	2.2
209.09653	2.6
210.06841	2.7
211.07382	2.4
217.08609	28.4
218.07271	3.9
219.08029	11.1
219.10188	6.5
220.08858	5.6
221.05928	9.2
225.05438	2.7
229.08543	5.2
230.07256	2.3
231.08270	8.8
231.10138	3.3
233.09552	5.3
234.06712	4.1
235.07550	3.9
236.04626	8.2
236.08319	6.7
237.09026	2.6
238.06296	2.6
240.03925	2.5
245.09618	2.5
246.06718	2.1
247.07442	13.9
247.09677	25.6
248.08237	14.7
249.09065	4.5
251.10666	2.8
254.05780	11.0
255.06685	2.2
259.07541	5.8
261.08957	3.1
262.09888	4.1
263.07501	2.1
263.10648	12.6
264.07782	6.5
265.08716	5.1
267.06577	5.9
268.03494	2.2
269.08051	24.9
270.80481	1.8
271.06342	3.4
271.09616	9.6
272.06754	5.3
275.07043	6.9
276.07800	9.4
277.08472	4.3
278.09091	1.8
279.09998	8.8
281.08038	3.6
282.05618	4.0
282.08838	14.5
287.09216	2.9
289.08514	3.9
290.09323	7.5
291.10080	15.7
292.07401	3.1
292.10565	2.7
293.08069	10.5
299.09070	4.0
300.06232	3.9
300.09622	2.2
301.06879	3.7
305.08182	2.9
305.11496	2.1
307.06311	2.8
307.09424	10.3
308.10306	8.0
310.08478	10.3
311.12759	3.6
315.08612	82.2
316.09256	3.8
318.08817	2.9
319.09518	9.4
321.07776	3.2
321.11176	3.3
322.08237	3.6
323.09229	4.1
323.12772	16.5
325.10776	2.4
328.09418	6.0
330.10977	85.8
331.11612	9.2
336.09875	4.6
337.10608	6.7
339.12228	7.4
341.13892	2.1
343.11746	24.2
351.12283	33.2
352.12918	4.7
353.10010	5.6
356.12616	3.3
368.12469	10.1
369.13281	6.6
371.14948	4.3
383.10886	2.7
383.14871	68.3
401.11197	4.2
401.15948	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
56.10066	1.9
65.12263	1.4
69.39396	16.7
70.90108	1.3
72.79006	1.6
78.04713	2.9
79.05495	18.1
79.60466	1.5
89.85386	1.5
91.05489	9.4
92.05799	1.8
95.04968	6.4
95.08580	1.6
97.06542	2.4
103.05460	3.2
105.07056	2.7
107.04961	28.5
109.06529	2.7
115.05447	7.6
116.06252	3.4
117.07025	4.1
118.98889	1.6
121.06492	3.1
122.03642	1.7
123.04433	7.0
124.05193	5.7
125.05998	4.3
128.06271	2.5
129.07013	7.9
131.04913	3.1
131.08580	7.7
132.05719	2.2
133.06499	3.3
137.05933	1.7
139.03833	1.5
141.06985	4.5
144.05702	6.6
145.06490	7.6
151.03900	3.1
151.07510	3.4
152.04659	4.3
153.01819	3.4
153.05460	2.8
156.05716	12.0
157.06474	1.9
158.07249	2.2
159.08066	14.8
161.05984	3.9
163.03885	3.0
165.05510	3.1
165.06898	3.3
167.07047	100.0
169.06511	3.7
173.05966	5.7
175.07440	1.8
177.05481	2.3
178.08034	1.7
179.07065	3.1
181.05011	14.7
181.08620	3.8
183.08147	1.8
184.05191	4.4
186.06708	3.6
187.07578	9.0
189.05455	3.0
190.06256	3.8
191.06973	4.1
191.08586	3.3
193.06590	3.1
193.08499	3.2
195.06546	3.6
197.06052	2.3
201.09077	1.8
202.06256	5.3
202.07878	2.5
203.08612	3.8
205.08553	15.7
207.06520	6.2
207.08249	2.2
208.05188	24.8
208.08803	3.4
209.05853	2.6
210.06792	3.4
211.07600	4.0
215.06851	3.3
217.08582	27.9
218.07336	5.0
219.08072	12.7
219.10114	3.8
220.08795	4.4
221.05951	6.6
225.05484	1.8
226.06306	2.7
229.08611	5.9
231.08096	8.7
231.09976	1.7
232.08926	2.7
233.09654	5.5
235.07433	4.4
236.04695	8.2
236.08418	4.6
238.06297	3.0
239.07097	3.1
240.04213	3.7
241.04935	2.3
245.09674	3.9
246.06810	3.6
247.07495	14.5
247.09717	19.7
248.08272	13.8
249.05373	3.5
249.09131	5.1
250.06352	4.0
253.08734	2.2
254.05714	12.6
255.06590	1.8
257.04410	2.4
260.08334	1.7
261.09076	7.6
262.09912	4.6
263.07040	6.6
263.10516	9.7
264.07904	8.3
265.08563	3.8
266.05872	2.5
267.06598	7.7
268.03601	3.6
269.08151	22.2
271.09656	8.1
272.06781	4.9
274.06320	1.8
275.07132	6.7
276.07779	7.3
277.08548	5.8
278.05661	2.9
279.07144	1.7
279.10172	7.0
280.10782	2.7
281.08078	3.5
282.05295	4.6
282.08871	19.1
283.09509	2.1
285.07605	3.3
287.09302	2.1
288.07422	1.8
289.08435	2.4
290.09393	5.3
291.10141	20.2
292.07288	6.4
293.08090	11.4
294.08853	1.7
295.09491	2.5
296.10425	2.2
299.09253	4.7
300.06259	2.4
301.07065	3.5
305.08020	4.9
305.11603	3.2
307.06488	1.8
307.09543	7.8
308.10370	6.2
309.07535	2.2
309.11063	3.8
310.08386	9.9
311.12704	3.7
313.10638	2.1
315.08633	80.1
315.12329	4.0
316.09085	2.6
319.09595	11.0
321.07568	4.1
321.11221	1.9
322.08255	2.8
323.09189	3.0
323.12811	15.0
325.10587	3.3
328.09406	6.4
330.10989	77.0
331.11874	13.5
336.09933	5.7
337.10684	6.2
339.12286	9.1
340.12888	2.4
343.11758	22.1
351.12259	27.6
352.13211	2.7
353.10184	6.8
356.12646	4.8
368.12454	10.2
369.13159	3.4
371.14975	5.2
373.12827	5.7
383.14890	59.3
401.11966	5.7
401.16479	15.1
412.21976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96750	1.2
53.03933	3.5
55.05508	1.9
65.03952	1.9
67.05488	2.7
71.63499	1.8
71.63959	2.4
72.55547	1.2
72.67587	1.2
78.04707	2.5
79.05492	14.2
81.07039	4.7
91.05498	9.3
95.04948	6.0
95.08632	2.6
97.06518	2.8
103.05431	1.8
104.37510	1.6
105.07035	4.8
106.04149	1.8
107.04959	29.4
109.10143	1.8
110.03749	1.4
115.05461	3.0
117.07047	1.3
121.10171	1.7
123.04435	6.1
124.05187	5.2
125.05954	3.6
128.06223	5.0
129.06992	7.2
131.08571	10.7
133.02841	1.5
133.06494	2.5
137.05957	2.5
141.06958	5.6
144.05682	6.8
145.06474	2.9
145.10153	1.5
146.03598	1.6
147.04381	3.3
147.08020	1.8
149.06044	1.5
151.03903	2.5
152.04655	4.8
153.01837	1.9
153.05347	1.4
156.05684	15.2
157.06456	3.3
158.07324	2.2
159.08061	13.4
161.06000	2.3
163.03905	4.0
165.05568	1.8
165.06958	1.5
167.07039	100.0
169.06435	2.3
169.07664	1.8
170.07249	3.2
171.06577	1.5
172.05228	2.1
173.05998	3.9
175.07486	2.7
177.05452	2.1
179.07111	3.2
181.05002	12.7
181.06509	2.5
181.08600	2.6
184.05182	3.2
185.06001	1.6
186.06789	4.4
187.07561	11.8
190.07704	1.9
191.08540	2.6
193.08531	2.8
194.09377	5.6
195.06450	1.5
202.06229	4.9
202.07837	3.1
203.08656	3.0
205.06693	2.9
205.08521	12.6
207.06477	7.0
207.10133	1.7
208.05150	7.4
209.06049	2.4
209.07962	1.9
210.06743	2.5
211.07623	2.9
215.06911	3.2
217.08589	33.9
218.07211	3.7
219.08037	10.3
219.10196	5.1
220.08899	3.9
221.05957	4.9
229.08540	3.9
231.08025	5.3
231.10190	4.6
233.06079	2.5
233.09654	2.9
234.06660	3.0
235.07520	3.6
236.04768	2.9
236.08354	4.2
238.06248	3.2
245.09613	1.9
247.07477	10.6
247.09695	19.8
248.08263	10.7
249.05492	2.3
249.09146	3.1
251.10654	2.9
252.07813	1.9
254.05721	2.8
255.06381	2.3
256.07367	1.9
259.07587	2.6
261.09143	4.9
262.09747	4.0
263.07443	1.9
263.10638	8.3
264.07736	6.4
265.08640	4.0
266.06049	2.1
266.09332	1.8
267.06442	2.7
269.08102	7.5
270.99472	1.6
271.09616	7.9
272.06680	1.7
274.09671	2.6
275.06992	4.9
276.07675	6.4
277.08545	4.6
278.05725	2.1
279.07013	1.5
279.10226	7.1
281.08020	2.8
282.08972	3.4
283.09915	2.2
285.07584	1.9
289.08487	1.9
290.09406	3.3
291.10092	10.8
292.07321	1.8
293.08200	8.1
293.11227	2.0
299.05820	1.6
299.09134	5.9
301.07260	1.7
303.06375	1.3
304.07352	1.4
305.08087	1.5
307.09515	10.0
308.10440	6.0
309.11212	2.6
310.08438	2.4
311.09103	1.6
311.12759	1.6
315.08597	19.2
319.09540	7.2
321.07660	2.4
321.11371	1.4
323.09113	2.5
323.12683	12.1
325.10657	2.0
330.10950	21.8
331.11700	13.2
335.08887	2.0
336.09976	4.9
337.10730	4.0
339.12137	10.1
341.13693	2.1
343.11838	5.1
351.12219	22.4
352.12933	3.1
353.10114	6.0
355.11713	1.7
356.12424	2.6
368.12357	7.7
369.13214	3.5
371.14859	4.6
383.10275	2.7
383.14917	44.1
383.22287	2.3
384.15067	2.2
401.11505	2.3
401.16211	14.4
401.21344	1.8
401.23093	1.7
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
51.96750	1.2
53.03933	3.5
55.05508	1.9
65.03952	1.9
67.05488	2.7
71.63499	1.8
71.63959	2.4
72.55547	1.2
72.67587	1.2
78.04707	2.5
79.05492	14.2
81.07039	4.7
91.05498	9.3
95.04948	6.0
95.08632	2.6
97.06518	2.8
103.05431	1.8
104.37510	1.6
105.07035	4.8
106.04149	1.8
107.04959	29.4
109.10143	1.8
110.03749	1.4
115.05461	3.0
117.07047	1.3
121.10171	1.7
123.04435	6.1
124.05187	5.2
125.05954	3.6
128.06223	5.0
129.06992	7.2
131.08571	10.7
133.02841	1.5
133.06494	2.5
137.05957	2.5
141.06958	5.6
144.05682	6.8
145.06474	2.9
145.10153	1.5
146.03598	1.6
147.04381	3.3
147.08020	1.8
149.06044	1.5
151.03903	2.5
152.04655	4.8
153.01837	1.9
153.05347	1.4
156.05684	15.2
157.06456	3.3
158.07324	2.2
159.08061	13.4
161.06000	2.3
163.03905	4.0
165.05568	1.8
165.06958	1.5
167.07039	100.0
169.06435	2.3
169.07664	1.8
170.07249	3.2
171.06577	1.5
172.05228	2.1
173.05998	3.9
175.07486	2.7
177.05452	2.1
179.07111	3.2
181.05002	12.7
181.06509	2.5
181.08600	2.6
184.05182	3.2
185.06001	1.6
186.06789	4.4
187.07561	11.8
190.07704	1.9
191.08540	2.6
193.08531	2.8
194.09377	5.6
195.06450	1.5
202.06229	4.9
202.07837	3.1
203.08656	3.0
205.06693	2.9
205.08521	12.6
207.06477	7.0
207.10133	1.7
208.05150	7.4
209.06049	2.4
209.07962	1.9
210.06743	2.5
211.07623	2.9
215.06911	3.2
217.08589	33.9
218.07211	3.7
219.08037	10.3
219.10196	5.1
220.08899	3.9
221.05957	4.9
229.08540	3.9
231.08025	5.3
231.10190	4.6
233.06079	2.5
233.09654	2.9
234.06660	3.0
235.07520	3.6
236.04768	2.9
236.08354	4.2
238.06248	3.2
245.09613	1.9
247.07477	10.6
247.09695	19.8
248.08263	10.7
249.05492	2.3
249.09146	3.1
251.10654	2.9
252.07813	1.9
254.05721	2.8
255.06381	2.3
256.07367	1.9
259.07587	2.6
261.09143	4.9
262.09747	4.0
263.07443	1.9
263.10638	8.3
264.07736	6.4
265.08640	4.0
266.06049	2.1
266.09332	1.8
267.06442	2.7
269.08102	7.5
270.99472	1.6
271.09616	7.9
272.06680	1.7
274.09671	2.6
275.06992	4.9
276.07675	6.4
277.08545	4.6
278.05725	2.1
279.07013	1.5
279.10226	7.1
281.08020	2.8
282.08972	3.4
283.09915	2.2
285.07584	1.9
289.08487	1.9
290.09406	3.3
291.10092	10.8
292.07321	1.8
293.08200	8.1
293.11227	2.0
299.05820	1.6
299.09134	5.9
301.07260	1.7
303.06375	1.3
304.07352	1.4
305.08087	1.5
307.09515	10.0
308.10440	6.0
309.11212	2.6
310.08438	2.4
311.09103	1.6
311.12759	1.6
315.08597	19.2
319.09540	7.2
321.07660	2.4
321.11371	1.4
323.09113	2.5
323.12683	12.1
325.10657	2.0
330.10950	21.8
331.11700	13.2
335.08887	2.0
336.09976	4.9
337.10730	4.0
339.12137	10.1
341.13693	2.1
343.11838	5.1
351.12219	22.4
352.12933	3.1
353.10114	6.0
355.11713	1.7
356.12424	2.6
368.12357	7.7
369.13214	3.5
371.14859	4.6
383.10275	2.7
383.14917	44.1
383.22287	2.3
384.15067	2.2
401.11505	2.3
401.16211	14.4
401.21344	1.8
401.23093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26320	5.3
64.80487	5.6
67.05496	6.9
68.28759	5.6
71.64478	6.2
71.64862	7.2
79.05467	10.0
81.07065	33.6
91.05457	15.2
93.07066	10.5
95.08563	7.7
105.07022	40.9
107.08604	35.1
109.06502	6.2
109.10217	5.3
115.03915	85.9
117.07024	6.4
119.08590	19.7
121.10091	11.3
122.67251	5.4
131.08580	17.5
133.10181	6.6
136.61700	5.6
142.07780	14.3
143.08594	44.2
145.06544	6.0
145.10104	7.6
157.10121	41.3
159.11670	9.5
161.13147	7.0
163.14806	26.7
167.07079	13.4
169.60301	5.4
171.11690	14.0
199.13156	10.2
199.14816	100.0
217.15900	31.4
259.16943	11.7
266.14066	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	401.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12981	0.6
53.03945	0.9
55.01860	2.6
55.05501	1.3
56.05012	0.6
58.06600	4.6
58.68422	0.6
65.03954	3.3
67.01865	0.7
67.05505	3.1
68.99780	0.8
69.03422	2.4
70.06573	3.4
70.28278	2.3
78.48985	0.6
79.05492	1.4
81.03390	1.0
81.07068	1.0
82.04183	1.7
84.08154	0.7
85.02908	5.0
86.09695	2.6
91.05486	1.2
93.03401	1.0
93.04503	0.6
95.01334	6.2
95.04942	1.5
97.02882	1.7
97.06509	1.8
105.07034	1.0
107.04946	2.1
109.06492	1.0
110.03658	1.8
111.04446	2.4
115.05441	1.5
115.64702	0.6
116.07114	1.1
121.02891	0.7
123.00793	20.9
123.04416	2.3
125.02353	2.2
125.05985	2.2
129.79718	0.6
133.06477	2.2
134.05984	0.6
137.02361	0.7
137.05975	2.9
138.03111	1.7
139.03920	1.0
140.04677	1.8
141.00746	1.4
141.01820	24.2
141.05486	0.6
142.02602	0.9
153.05493	1.4
155.07040	1.4
161.05989	3.7
167.03368	0.8
167.07060	1.9
169.01335	2.2
171.06477	4.0
177.05444	2.2
181.04958	100.0
182.05307	1.6
189.05473	2.8
198.03271	0.8
201.12337	0.6
206.05743	0.8
209.08115	4.5
214.56935	0.6
217.05106	0.8
221.08189	1.3
231.06523	1.4
237.07510	0.8
245.04552	0.9
249.07628	1.8
251.09248	1.0
253.08612	1.2
259.05966	0.9
275.13419	0.7
277.07037	6.1
281.08130	2.6
291.08640	0.9
295.08231	0.7
305.06561	20.9
313.10675	1.2
323.07596	1.7
325.09149	1.2
358.16641	0.8
401.17429	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	400.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01857	0.7
56.38983	0.3
56.96559	0.7
57.03424	1.4
58.06619	0.3
60.41719	0.4
61.02919	0.5
67.60973	0.3
69.03423	3.5
70.06590	0.9
71.01354	0.7
71.63437	0.3
71.63963	0.4
73.02899	0.9
79.05476	0.4
81.03406	0.8
83.04980	0.5
85.02904	2.7
86.09702	0.4
87.04473	0.5
89.06016	0.5
91.05476	0.3
94.04018	0.5
97.02887	3.3
98.97582	1.0
99.04459	0.4
101.06023	0.5
103.03907	0.4
107.04982	0.5
109.02856	0.4
111.04400	0.5
115.03951	1.5
116.98616	0.6
119.01860	0.3
119.03548	0.9
127.03918	1.0
128.98599	0.4
129.05525	0.5
132.75095	0.3
133.04965	0.7
135.04408	0.7
136.06184	100.0
137.04585	0.8
137.06610	0.5
145.04958	0.4
146.99620	0.4
163.03917	2.2
177.00674	0.4
177.05423	0.4
181.04977	1.2
197.05673	0.3
229.38786	0.4
237.02806	0.8
244.09621	0.4
250.09579	0.3
268.10416	8.2
400.14630	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.4
55.01874	3.0
55.05508	25.2
57.07072	5.9
59.04996	4.9
67.05504	42.3
69.03419	3.6
69.07068	58.3
69.97390	5.8
69.97805	14.6
70.07408	3.1
71.04982	11.1
73.65504	2.8
79.05486	30.6
81.07059	52.0
83.05002	18.0
83.08624	17.7
85.06533	19.7
91.05473	48.6
93.07043	83.2
95.04962	17.7
95.08601	54.4
97.06525	8.9
97.10174	4.0
99.04430	16.6
99.08070	5.8
103.15767	2.7
105.07027	100.0
107.04950	3.1
107.08598	67.7
109.06509	10.1
109.10165	29.5
111.08083	8.2
115.05499	7.4
117.07023	28.4
119.04957	4.7
119.08579	72.1
121.06499	9.6
121.10139	39.5
123.08060	9.2
123.11707	8.9
125.09652	2.9
128.06201	8.3
129.06985	24.7
130.07726	4.2
131.08563	54.2
133.06462	6.2
133.09222	4.0
133.10147	44.5
135.08043	10.0
135.11693	22.2
137.05936	4.6
137.09650	6.5
141.06979	11.8
142.07745	15.2
143.08571	47.1
144.09346	10.9
145.06491	5.1
145.10118	58.9
147.08055	7.8
147.11682	22.7
149.06023	13.7
149.09645	5.6
149.13231	4.7
151.07613	3.2
151.11182	11.1
154.07724	3.6
155.08562	36.1
156.09361	11.2
157.10121	48.2
159.08052	10.5
159.11690	88.3
160.12144	2.8
161.09613	17.4
161.13245	24.4
163.11163	3.0
165.06979	8.5
166.07762	5.2
167.08511	14.0
168.09302	10.8
169.10129	39.1
170.10880	3.3
171.08105	10.7
171.11684	27.1
173.09624	14.6
173.13281	26.4
175.07704	3.8
175.11205	19.7
175.14760	5.9
177.12784	8.9
178.07713	5.5
179.08540	14.4
179.14305	4.1
180.09288	8.1
181.10129	23.0
182.10893	10.2
183.11713	38.8
185.09627	11.7
185.13243	28.4
187.07582	4.1
187.11198	20.7
187.14815	9.5
189.09091	6.0
189.12737	7.0
189.16492	3.7
191.08588	4.4
191.10666	5.3
192.09462	4.8
193.10100	20.2
194.10927	7.8
195.11664	35.7
196.12466	9.8
197.09644	5.0
197.13240	35.4
198.10437	3.6
199.11237	16.5
199.14815	23.4
201.12747	12.1
201.16408	9.9
203.08824	4.0
203.10736	6.9
203.14278	5.6
205.10271	5.4
205.12212	66.4
206.10979	6.2
207.11729	18.5
207.13394	3.7
208.12257	4.7
209.13263	44.6
211.11182	8.8
211.14841	41.4
213.12750	10.2
213.16344	7.8
215.14322	5.4
217.12263	6.4
217.15855	3.2
219.11752	9.2
220.12502	5.3
221.13260	29.1
222.14056	4.0
223.11237	4.0
223.14786	31.3
224.15524	4.3
225.12758	9.5
225.16360	12.0
227.14198	13.8
227.17877	6.5
229.12250	9.9
229.15828	8.7
231.11659	3.5
231.13876	3.7
233.13303	8.5
234.14063	5.6
235.14752	16.5
237.12834	4.3
237.16393	19.3
238.17152	4.4
239.14272	8.8
239.17998	15.2
240.18724	5.4
241.12242	5.1
241.16011	6.9
241.19615	6.0
245.04564	3.4
245.11765	7.8
245.15350	6.2
246.14000	4.3
247.14890	8.2
249.12727	5.9
249.16370	13.4
251.17990	27.1
253.15944	8.6
253.19566	12.3
255.13936	6.7
255.17368	7.9
261.16431	9.9
262.17047	4.3
263.17984	17.1
265.19537	6.5
267.13889	7.7
267.17422	21.9
269.19043	12.6
275.18057	6.9
277.19522	28.0
279.17444	15.0
279.20709	6.3
281.19052	17.8
283.20557	7.4
285.18607	14.8
293.19211	6.3
293.22571	4.6
295.17313	4.8
295.20572	12.8
297.18542	11.4
299.05502	5.2
307.16980	5.6
307.20709	3.1
307.24289	9.7
313.03363	13.2
313.18057	30.1
317.22778	14.5
319.24222	11.3
323.20029	9.8
325.18042	7.4
325.24893	3.9
335.23663	67.1
337.25269	19.4
341.20956	3.7
353.24753	42.0
355.08121	7.1
363.23215	35.6
371.25571	6.4
381.24213	41.7
399.10739	24.4
399.25314	60.8
400.25488	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	399.2526
Annotation	Jaspolide F
Peak:m/z	Relative Intensity
55.01858	3.9
55.05499	16.3
57.07072	8.3
58.93804	3.2
59.05007	4.5
67.05495	21.2
69.03426	7.4
69.07063	63.2
71.04977	3.8
71.08621	7.0
71.10093	7.3
79.05482	25.9
80.57102	3.4
81.07056	40.3
83.04945	6.3
83.08614	13.4
85.06532	6.2
86.09689	20.2
91.05465	45.6
93.07040	62.0
94.43613	3.7
95.04970	12.4
95.08593	46.3
96.65458	3.8
97.06523	11.4
105.06288	4.8
105.07019	100.0
107.08588	63.0
109.06500	11.6
109.10146	28.2
111.08060	7.5
115.05477	4.3
117.07001	10.6
119.04927	5.5
119.08572	59.6
119.09346	5.7
119.40990	3.5
121.06484	22.2
121.10145	47.0
123.08045	13.1
123.11667	9.3
125.09624	8.4
128.06181	6.3
129.06940	8.4
130.07819	4.3
131.08554	33.7
132.10185	10.5
133.06523	8.8
133.10130	44.9
135.08057	27.5
135.11649	8.8
137.05927	6.0
137.09642	7.6
139.07500	7.0
141.06964	6.6
142.07776	4.6
143.08583	24.8
145.06448	5.5
145.10141	37.5
145.37360	3.4
147.08031	21.5
147.11655	19.3
149.05989	6.3
149.09607	17.8
149.13280	4.1
151.07515	13.0
153.09064	5.1
155.08514	10.0
156.09329	4.6
157.10141	21.6
159.08028	12.5
159.11700	31.7
161.09624	13.5
161.13246	96.4
161.14580	5.2
163.11195	9.0
163.14786	10.1
165.09091	5.8
169.10120	11.7
170.10840	4.1
171.11653	18.2
173.09669	19.7
173.13248	12.3
175.11172	26.4
175.14761	8.9
177.09096	7.5
177.12720	5.1
179.08519	4.6
179.14325	54.6
181.10077	5.5
183.11641	12.1
185.09586	6.6
185.13298	7.8
187.11183	17.5
187.14841	4.9
189.12723	69.1
189.16341	6.0
190.13472	10.1
191.10718	19.3
191.14285	4.8
192.11441	7.8
193.10626	3.6
193.12201	23.2
195.11710	6.4
197.13260	12.3
199.14780	14.7
201.12750	8.2
201.16315	8.6
203.14320	11.2
205.12196	6.6
207.13768	31.0
208.14622	4.2
209.13240	13.1
211.14818	8.2
213.12778	9.6
215.14333	4.7
217.12311	3.9
217.15948	9.9
223.14761	7.3
225.12769	5.7
225.16351	7.0
227.14381	10.4
229.12154	4.7
229.15829	5.8
231.13817	13.3
237.16324	4.5
239.14336	6.0
241.12192	4.2
241.15813	4.9
245.15350	14.6
251.17915	7.0
255.13837	3.7
265.15805	5.7
267.17377	6.9
269.19128	5.6
277.19482	5.5
283.16849	4.6
285.18387	23.4
293.18930	5.4
293.22491	4.7
295.20578	5.0
297.18536	10.0
313.17993	4.5
325.17981	6.2
325.21576	10.3
325.25226	7.3
331.18951	7.1
335.23608	27.5
343.18942	5.9
353.24731	75.3
363.23132	14.5
371.25745	9.0
381.24167	50.2
381.28616	5.4
399.25223	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.05495	10.2
60.04514	10.4
67.05495	33.8
69.03416	10.4
69.07066	100.0
69.37891	64.9
69.52457	5.9
79.05486	21.6
81.07053	30.8
83.08593	9.4
85.06484	7.1
85.92107	5.7
91.05470	39.2
93.07035	62.6
94.06178	5.3
95.04972	15.6
95.08619	44.9
95.30262	5.7
97.06472	10.3
105.07032	89.9
107.08581	55.1
109.06506	11.8
109.10133	21.8
117.06985	10.2
119.08584	54.7
121.06477	30.7
121.10136	31.8
123.08085	8.1
123.11703	10.2
125.09595	7.8
129.06999	6.3
131.08592	38.1
133.06487	9.7
133.10124	36.2
135.08034	19.7
135.11676	18.6
137.09566	8.6
139.07539	88.9
142.07790	11.1
143.08551	21.0
145.10107	23.5
147.08072	16.3
147.11676	20.9
149.05969	7.4
149.09612	14.3
151.07582	14.5
155.08516	13.0
157.10104	23.4
159.08083	8.7
159.11636	30.0
161.09636	14.6
161.13252	96.3
163.11147	9.3
163.14789	6.7
165.12778	6.4
169.10085	11.8
171.11659	8.4
172.59334	6.8
173.09686	6.9
173.13121	9.3
175.11163	35.4
183.11676	13.9
185.13235	7.0
189.12724	14.9
192.11386	7.7
193.12207	31.3
194.10880	7.0
195.11697	13.3
197.13329	7.7
199.14809	11.7
205.12271	11.8
207.11867	9.1
207.13777	24.7
209.13272	9.5
217.12312	6.6
217.15784	7.3
221.13423	7.4
223.14703	8.4
225.16226	9.7
227.14333	11.9
231.13838	7.7
245.15302	8.9
267.17224	8.7
279.17554	7.2
285.18555	19.5
295.20636	9.4
297.18491	17.2
307.23846	6.8
313.17886	12.1
335.23682	25.7
353.24738	87.5
363.22894	11.8
381.24316	16.9
399.25342	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.6
57.07088	4.5
61.77916	4.0
62.30917	3.9
67.05505	27.5
68.18891	4.1
69.07064	62.7
71.04971	14.1
71.26595	8.7
71.26944	6.3
79.05479	24.0
80.70186	4.3
81.07055	28.9
83.04976	24.0
83.08632	9.5
85.06535	34.2
91.05476	41.9
93.07034	75.4
95.04961	7.2
95.08610	45.9
97.06487	6.4
99.04460	21.4
99.08080	5.9
105.07024	97.9
107.07930	6.0
107.08592	52.2
109.06533	5.2
109.10134	30.4
111.08046	5.4
113.09601	5.6
115.05427	5.3
117.07012	34.9
119.08575	63.4
121.06460	4.7
121.10146	22.7
123.08046	4.3
125.09602	4.7
128.06181	5.3
128.17534	4.6
129.07018	17.5
131.08562	49.2
131.19693	4.7
133.06467	8.0
133.10126	42.1
135.08009	10.7
135.11674	18.2
137.05984	4.8
137.09581	12.3
141.06985	8.7
142.07764	17.9
143.08542	30.3
144.09320	10.7
145.06430	7.0
145.10107	42.8
147.08022	5.3
147.11688	29.1
149.05963	9.6
149.09616	8.0
149.13249	6.7
154.07808	5.2
155.08516	29.1
155.10568	5.0
156.09230	6.2
157.06404	5.3
157.10120	72.2
159.08092	5.1
159.11687	57.9
161.09662	6.2
161.13219	22.5
165.06947	6.3
166.07817	4.9
167.08540	11.9
168.09348	10.0
169.10069	30.3
171.11659	20.0
173.09557	4.7
173.13297	13.5
175.11179	100.0
179.08540	17.8
180.09288	7.7
181.10130	30.1
182.10867	6.8
183.11667	22.4
185.13264	24.8
187.11157	12.3
187.14835	14.3
189.12680	11.0
191.08559	8.0
191.10466	6.3
192.09326	6.3
193.10097	17.1
194.10924	10.6
195.11700	31.0
196.12411	6.1
197.13234	33.8
199.14789	29.2
201.16302	6.2
205.10240	9.4
205.12222	29.5
206.10922	11.3
207.11739	32.6
208.12456	9.2
209.13255	46.3
210.14079	4.7
211.14757	32.8
213.12737	7.4
213.16341	6.7
215.14322	9.0
219.11647	8.7
221.13280	34.4
223.14806	40.9
225.12807	8.1
225.16353	17.3
227.14261	13.7
229.15955	10.5
231.13754	6.0
233.13292	7.5
234.14001	5.6
235.14745	21.5
237.12830	6.4
237.16280	23.1
239.14201	8.6
239.17683	5.9
247.14757	12.0
249.16423	15.2
251.17935	19.7
253.15814	4.6
255.13887	5.2
255.17513	4.3
261.16306	9.8
262.17041	8.9
263.17911	12.4
265.19958	4.4
267.17511	9.4
267.21149	5.7
269.18973	8.8
277.19498	60.8
279.17422	20.8
279.21057	28.5
281.18997	10.4
285.18347	5.2
293.19006	5.6
295.20480	10.4
297.18503	6.1
305.19165	6.3
307.16733	4.4
313.18130	5.0
314.98639	4.5
317.22653	17.8
319.24094	7.6
323.19769	13.0
325.17865	5.5
325.25229	7.2
335.23627	69.0
337.25284	35.4
343.19147	4.5
353.24731	56.5
355.26233	6.3
363.23013	19.1
369.60202	4.7
381.24191	30.1
399.25378	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	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05511	19.7
57.07051	5.7
59.04982	6.5
67.05496	31.3
67.60587	3.2
68.94635	3.1
69.06723	5.4
69.07066	68.6
70.68436	8.2
71.04986	14.0
79.05492	31.6
79.49220	3.1
81.03416	4.7
81.07060	40.1
83.04976	29.9
83.08614	12.7
85.06537	35.5
91.05483	45.4
93.06474	5.8
93.07043	79.0
95.04984	9.5
95.08617	39.7
97.06518	4.8
97.10151	4.6
97.90700	3.3
99.04453	17.1
99.08116	5.5
105.07034	88.8
107.08601	60.3
109.06491	8.3
109.10171	32.3
111.08111	5.0
113.09629	5.8
117.07020	33.0
119.08577	61.2
121.06490	9.7
121.10135	27.3
123.08042	8.3
125.09616	7.1
128.06198	10.9
129.06996	32.3
130.07761	4.9
130.38565	3.4
131.08574	52.3
133.06439	7.9
133.10135	41.3
135.08070	11.8
135.11726	17.6
137.06029	4.1
137.09604	11.6
141.07014	10.6
142.07788	24.4
143.08562	47.2
144.09328	11.8
145.10104	52.8
147.08018	7.6
147.11703	23.2
149.05933	11.0
149.09598	6.9
149.13148	7.7
153.07065	5.0
155.08548	33.2
155.10579	4.9
156.09291	11.0
157.10121	75.5
158.10902	4.0
159.07991	5.3
159.10425	6.3
159.11676	57.7
161.09572	5.0
161.13263	18.9
165.06941	5.4
167.08580	10.8
168.09370	5.0
169.10118	31.9
170.10907	4.4
171.08035	6.1
171.11646	30.9
173.09598	13.8
173.13280	16.3
175.11182	100.0
175.14828	3.9
177.12753	8.2
179.08533	14.7
180.09311	7.6
181.10110	26.2
182.10948	6.6
183.11682	24.2
185.09560	8.0
185.13234	20.8
187.11133	9.5
187.14851	11.8
189.09129	4.2
189.12694	12.0
192.09352	10.3
193.10106	20.2
194.10904	7.9
195.11702	34.9
196.12509	7.3
197.13248	37.3
199.11198	5.0
199.14812	36.8
201.16464	6.5
203.10785	5.0
205.10339	6.3
205.12219	29.7
206.10847	12.8
207.11710	18.0
208.12494	7.2
209.13272	47.8
210.13904	11.1
211.11220	4.8
211.14824	31.4
213.05420	4.1
213.12729	8.2
213.16336	7.9
214.01404	4.0
215.14375	6.4
219.11749	13.1
221.13234	51.3
222.13979	5.1
223.11037	4.4
223.14792	36.2
224.15514	6.3
225.12744	6.1
225.16383	8.2
227.14287	14.7
229.12251	4.7
233.13368	6.2
234.14032	4.1
235.14865	20.8
237.16380	18.2
239.14333	9.0
239.17900	7.4
241.15895	5.9
247.14807	10.3
249.16428	19.3
251.14191	4.3
251.17934	17.3
253.15840	6.1
253.19499	7.1
255.13800	5.3
261.16440	18.2
263.17978	14.3
264.18707	4.6
265.19476	5.2
267.21100	6.5
269.19034	6.0
275.17957	7.8
277.19525	63.1
279.17459	20.5
279.21094	28.8
281.19028	10.0
295.17294	4.6
295.20572	11.8
297.18414	11.6
305.18915	5.0
307.24124	5.3
317.22574	9.6
319.24142	9.8
323.19986	11.2
325.17950	6.5
325.25336	7.4
335.23734	70.8
337.25305	38.2
341.21210	4.8
353.24716	42.7
355.26382	3.9
363.23138	23.2
381.24231	34.5
399.25409	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.7
56.73121	3.7
67.05498	39.2
69.07063	56.2
71.04980	18.0
71.64286	8.3
79.05489	27.7
81.07055	40.3
83.04978	26.2
83.08630	7.6
85.06545	34.8
91.05478	46.7
93.07040	80.7
95.04961	10.3
95.08592	44.7
96.43688	4.7
97.06537	8.9
97.10169	4.5
99.04442	26.9
99.08137	4.7
105.07023	100.0
107.08586	59.7
109.06493	8.2
109.10136	26.9
111.08087	8.4
113.09626	5.6
115.05436	6.5
117.06998	33.5
119.08565	70.1
121.06508	12.5
121.10137	29.0
123.08057	7.2
125.09653	4.9
128.06177	8.7
129.07005	29.8
130.07782	6.4
131.08569	53.3
133.10109	38.5
135.08064	13.5
135.11665	15.0
141.06963	12.2
142.07730	22.0
143.08545	40.0
144.09319	13.0
145.10117	49.2
147.08032	9.6
147.11678	23.3
149.06013	11.2
149.09598	9.6
149.13179	6.8
151.07574	4.9
155.08536	30.7
157.10124	69.9
159.11679	63.5
160.12106	4.9
161.09758	10.0
161.13255	17.3
163.07516	7.7
165.07030	5.5
165.09129	5.1
165.12756	6.0
166.07834	5.6
167.08571	13.4
168.09229	6.2
169.10081	33.9
171.11636	28.9
173.09697	8.0
173.13248	22.5
175.11169	69.1
177.09189	4.6
177.12782	6.7
178.07814	5.4
179.08556	15.0
181.10103	20.7
182.10887	8.9
183.11659	26.7
185.09532	10.3
185.13277	17.6
187.11140	11.9
187.14803	11.2
189.12791	10.9
191.10814	5.0
193.10133	16.1
194.10921	5.7
195.11691	38.6
197.13284	34.9
199.14818	30.7
201.12672	5.1
201.16393	4.7
205.10292	10.4
205.12234	31.2
205.13925	5.2
206.10962	12.5
207.11679	23.2
208.12453	8.8
209.13206	31.0
211.14839	24.9
213.12767	11.9
217.15779	5.6
219.11685	13.3
220.12332	6.6
221.13231	44.8
223.14818	33.3
225.16319	17.7
227.14244	12.6
227.17603	5.1
229.15970	7.0
231.11578	5.6
233.13280	6.3
235.14874	17.1
237.16373	16.9
239.14479	7.0
239.17847	8.4
241.12213	5.1
247.14977	8.5
249.16373	19.6
251.14223	5.0
251.17906	19.9
253.15855	5.3
253.19540	7.9
255.17586	5.5
261.16422	11.4
262.16965	5.5
263.17908	8.5
265.19730	7.6
267.13760	6.2
267.17529	8.8
269.18997	5.7
275.17923	12.2
277.19522	39.1
279.17508	13.2
279.21103	18.7
281.18890	9.1
283.20483	4.8
285.18948	8.8
285.69702	4.7
293.18991	10.6
295.17322	6.2
295.20578	12.4
297.18597	7.9
305.19287	6.3
311.20102	8.7
311.29678	5.4
317.22507	14.5
319.24268	9.5
321.18518	5.5
323.20172	9.2
325.17813	6.2
335.23669	59.4
337.25195	23.8
339.19519	13.1
341.20950	6.1
343.18823	6.2
353.24854	46.0
363.23203	18.6
381.24268	39.6
399.25360	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	399.2529
Annotation	Apo-12'-fucoxanthinal
Peak:m/z	Relative Intensity
53.03933	2.1
55.01853	3.5
55.05503	14.5
55.14698	2.0
56.25145	2.2
57.03435	3.2
57.07047	3.0
58.28137	1.8
59.04985	4.5
65.03931	2.9
67.05505	24.5
69.03412	3.1
69.07066	16.5
71.04997	21.5
71.08614	4.6
71.62878	3.6
79.05489	18.3
79.22068	2.1
81.07059	31.7
83.04976	6.5
83.08620	6.2
85.06527	11.3
87.08128	4.7
91.05476	25.1
93.07034	38.0
95.04973	8.5
95.08608	31.0
97.06525	7.8
97.10151	3.6
98.95236	1.8
99.04468	2.1
99.08068	2.3
103.05451	3.3
104.37172	2.0
105.07031	65.5
106.07409	2.7
107.04963	2.4
107.08597	46.7
109.06522	7.2
109.10155	23.9
111.08066	4.4
113.09592	3.2
115.05469	4.0
117.07011	15.9
119.05002	3.7
119.08582	36.7
121.06474	8.0
121.10140	18.2
123.08083	9.0
123.11740	2.5
125.09631	6.5
128.06239	5.6
129.05431	4.1
129.07004	11.9
130.07834	3.1
131.08556	30.1
133.06514	4.8
133.10107	23.0
135.08080	7.1
135.11671	9.7
137.09622	8.7
139.07463	2.3
141.07002	6.9
142.07777	11.3
143.08563	24.7
144.09378	4.7
145.06488	4.8
145.10114	27.9
147.08044	5.7
147.11713	16.8
149.05948	2.9
149.09669	3.2
149.13264	8.5
151.11142	5.2
153.07013	3.2
153.09070	2.7
155.08548	17.8
156.09373	2.3
157.06473	2.2
157.10130	39.1
158.10864	2.1
159.08086	6.8
159.11681	49.0
161.05952	6.7
161.09619	5.2
161.13254	14.7
163.07570	6.6
163.11159	5.9
165.06989	4.9
165.12785	3.1
166.07794	3.4
167.08586	8.4
168.09288	2.8
169.10139	19.7
171.07991	4.8
171.11676	19.0
173.05986	3.5
173.09615	6.3
173.13257	9.7
175.07553	2.8
175.11176	25.7
177.09105	2.8
177.12756	26.2
178.07738	2.4
179.03395	9.7
179.08614	5.2
179.14308	8.7
181.10074	16.5
182.10942	4.6
183.08063	3.2
183.11696	22.1
185.09686	5.5
185.13268	10.1
187.07443	4.3
187.11201	9.6
187.14751	4.1
189.09157	3.7
189.11273	2.4
189.12805	9.8
191.14348	4.0
192.09384	9.2
193.10136	18.8
194.10939	6.6
195.11703	39.8
196.12379	3.0
197.13225	19.0
199.11186	6.2
199.14871	8.8
201.12790	8.7
201.16388	3.4
203.10724	7.5
205.10295	3.8
205.12216	27.2
206.10927	4.8
207.11694	22.7
207.13763	8.6
208.12370	4.0
209.13269	26.6
210.13992	3.7
211.11226	8.6
211.14796	15.9
213.05478	2.2
213.12762	4.5
213.16292	2.6
215.10704	4.9
215.14363	4.4
217.12314	4.2
217.15866	2.4
219.11685	3.2
220.12456	4.3
221.13356	14.3
223.14845	14.5
225.12840	4.0
225.16382	9.5
227.10658	2.6
227.14316	8.0
229.12263	18.2
229.15817	4.4
232.12601	2.4
234.13998	3.4
235.14781	5.9
237.12769	3.1
237.16472	8.1
239.14323	7.2
239.17995	5.6
241.12149	2.7
241.15938	2.6
243.13904	4.3
246.14011	2.7
249.16400	57.0
251.17963	7.0
253.15880	3.1
255.13846	6.1
255.17526	3.1
255.21225	3.0
257.15393	5.1
261.16534	4.3
263.17932	5.1
265.15891	3.5
265.19531	15.5
267.14313	3.3
267.17456	19.2
267.21118	3.8
269.15637	2.1
269.18994	7.5
270.11319	2.3
271.17023	2.5
277.15527	3.1
277.19373	4.1
279.14090	2.2
279.17374	3.4
281.19037	6.1
283.17725	2.1
283.20520	12.7
285.18585	6.9
293.19028	5.0
295.17090	5.1
295.20541	4.7
297.18411	3.3
301.21649	3.3
311.19992	16.1
313.17896	5.6
317.22461	3.2
319.24158	3.6
323.20099	6.1
325.25397	4.0
329.21179	13.1
335.23642	28.9
337.25159	2.7
339.23129	2.4
341.21335	3.0
353.24774	49.3
363.23212	15.5
371.25964	6.3
381.24326	44.0
382.24673	2.6
399.25327	100.0
400.25894	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03953	1.7
55.01870	1.1
57.03434	5.9
61.02937	2.5
69.03426	7.0
71.04980	1.2
71.27522	1.1
73.02914	1.7
75.04470	1.1
77.03934	0.5
81.03416	3.9
85.02903	23.1
87.04465	1.7
91.03960	0.5
95.04926	0.7
97.02888	7.0
99.04459	2.1
102.04703	0.9
103.03973	1.6
103.05464	45.5
104.05806	1.2
105.04543	0.3
105.07049	1.0
107.04908	0.6
109.02890	4.3
115.03917	0.5
115.05399	0.4
117.05502	1.8
127.03922	8.6
129.05502	0.6
130.04123	1.2
131.04926	100.0
132.05264	2.2
133.06506	0.8
134.14964	0.4
145.04987	2.7
145.06479	0.5
148.05190	10.8
160.05176	0.4
161.05962	3.3
163.07539	51.7
164.07863	1.5
169.06462	0.4
175.07523	1.3
183.06657	0.4
189.09123	0.8
192.33017	0.4
193.15169	0.4
201.09113	2.7
219.10233	0.8
237.11195	1.5
312.78772	0.4
369.65619	0.3
388.11560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01858	3.3
55.05515	1.2
57.98750	0.9
65.03934	3.5
67.05482	3.0
68.99787	2.9
69.03428	16.1
69.07070	1.5
69.58525	3.5
69.58952	5.5
74.65347	0.9
79.05492	6.0
81.03417	8.3
81.07053	2.1
82.06723	0.9
82.64719	1.0
83.04990	1.1
85.02887	4.7
87.00822	3.6
89.03890	1.1
91.05475	5.5
93.03386	1.0
93.07045	2.2
95.04947	6.5
95.08633	1.1
97.02898	6.4
97.06532	7.2
103.05462	1.7
105.03378	4.7
105.07018	3.0
107.04935	4.5
109.02873	12.1
109.06519	3.9
111.04465	1.4
115.05460	3.2
117.06977	2.2
119.04931	3.5
121.02870	1.5
121.06489	3.7
127.03928	8.0
128.06192	2.0
129.06970	1.2
130.74615	1.0
131.04915	3.6
132.05698	1.1
133.02800	1.3
133.06480	4.0
133.10007	1.4
135.04422	3.5
136.01579	1.7
137.02412	1.4
137.05997	5.8
138.03119	2.0
140.75931	1.0
143.05042	1.0
144.05658	1.3
145.02946	1.6
145.06474	1.6
147.04425	1.2
147.08025	2.8
149.02301	1.4
150.03131	1.3
151.03900	100.0
152.04205	1.8
153.01819	3.0
154.02623	3.1
157.10175	1.1
159.11708	1.1
161.05983	2.9
163.03903	42.8
164.04547	1.2
165.04314	1.0
165.05479	6.8
167.03415	3.4
169.04973	6.7
172.05226	1.8
174.03064	1.5
175.03908	5.2
175.07501	3.0
176.04677	2.3
177.05464	7.7
178.02625	4.1
181.04948	23.4
185.05965	1.6
187.07516	2.4
188.04715	3.4
189.05460	19.5
191.03372	5.2
192.04105	6.5
193.04964	89.5
194.05305	1.2
195.02824	2.8
200.04706	2.3
203.07016	27.1
205.05002	2.2
206.05731	3.8
207.06445	1.4
213.05589	1.7
215.07063	8.0
217.04951	44.9
221.07965	1.7
229.04961	2.2
231.06612	9.3
235.05904	1.6
237.00723	1.8
237.12003	1.1
244.03662	1.9
245.04468	2.3
247.06049	2.4
259.06015	68.2
260.06335	2.9
273.03891	4.1
277.07068	8.2
285.03860	1.2
299.05515	1.6
301.03482	3.8
301.07077	1.2
302.04199	4.1
303.05054	3.2
313.03403	7.8
345.06027	5.6
355.08127	7.8
363.07037	9.1
381.08289	2.4
399.10638	31.1
400.10693	1.9
416.37939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	1.8
55.05497	1.0
57.03413	0.8
67.05511	2.7
68.99788	2.0
69.03423	1.4
69.07066	7.5
71.53616	1.3
79.05056	0.8
79.05489	10.5
81.03407	1.0
81.07041	1.7
93.07042	0.7
95.04952	2.4
97.06528	49.4
105.07011	0.8
107.04958	1.0
107.08595	0.8
109.02894	0.8
109.10131	1.3
110.03647	1.4
111.00806	1.6
111.04486	0.7
117.06989	0.6
119.08554	0.7
121.02871	1.5
121.10151	0.8
123.04353	0.6
125.06004	0.8
127.03956	0.7
131.08583	0.8
135.04424	0.6
137.02338	9.4
149.02357	1.1
153.01819	8.1
161.05992	0.6
163.03943	1.6
165.01817	3.3
166.02628	0.6
173.06000	0.8
173.09552	0.6
183.82848	0.6
187.03810	0.7
189.05484	0.7
197.00629	0.5
200.04651	1.0
201.05431	3.8
211.03954	0.6
217.04968	1.2
219.02991	0.7
219.06477	0.7
227.03372	1.3
228.04173	3.1
229.04958	8.5
245.04491	1.9
247.06006	0.7
255.02875	0.7
257.04449	4.8
273.03934	11.3
274.04733	4.6
275.05481	0.7
285.04031	3.9
301.03436	12.4
301.06772	1.2
302.04208	39.0
303.04974	100.0
304.05255	2.9
315.04910	6.9
329.02902	5.3
329.06616	1.0
353.10101	0.9
381.09616	7.0
399.10788	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	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46026	0.3
54.98647	0.5
56.48782	0.3
56.96564	9.7
70.30126	0.9
71.95261	2.1
94.63394	0.3
98.97577	56.9
116.98615	59.9
119.01927	0.6
130.93315	0.6
134.99652	37.6
140.00209	2.0
146.93036	0.3
148.94411	0.4
153.00699	6.4
154.93311	0.4
158.01276	2.1
163.44658	0.3
172.94348	2.5
174.05956	0.3
174.97658	0.7
177.00925	0.8
190.95380	4.8
192.98752	1.2
196.94312	0.3
197.95134	0.5
208.96461	2.3
214.95309	1.7
216.98779	0.9
219.02020	1.3
231.41321	0.3
232.96474	7.7
233.96866	0.8
234.99828	2.2
235.99957	0.5
236.99828	0.5
240.98764	0.6
250.97548	6.7
251.97755	0.4
253.01147	0.8
256.96426	15.2
257.96716	0.5
258.99826	5.0
260.00012	0.8
260.99796	1.0
261.03104	1.9
262.03214	0.5
273.99005	0.6
274.97507	100.0
275.97952	2.3
276.97839	0.4
277.00876	6.8
278.00980	1.5
279.00812	1.1
280.96667	0.5
282.99963	2.7
284.00073	0.8
284.99649	0.6
288.98996	0.3
292.98544	68.5
293.98929	1.4
294.98904	0.4
297.99106	7.6
298.97662	6.4
299.97919	0.7
300.02277	0.4
300.97922	0.2
301.01016	5.6
302.01144	1.3
303.00986	1.3
304.01172	0.3
310.99689	0.5
316.00122	4.2
316.98773	13.5
317.99078	2.1
324.02570	0.5
332.96442	0.4
334.99768	0.4
340.00525	0.9
343.02213	0.3
356.98190	1.5
374.99237	6.9
375.99503	0.4
393.00201	0.6
398.00717	0.5
398.98001	1.2
416.13177	0.4
416.98694	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.9
55.05523	3.5
55.85001	2.8
56.05046	3.7
56.75460	2.9
57.03433	24.9
58.06596	7.5
59.04995	9.2
60.04541	3.4
61.02922	6.4
62.06076	3.8
62.98315	2.7
67.05495	7.4
69.03429	85.1
69.06767	2.9
69.07071	28.5
70.06591	14.4
70.44883	11.9
71.05010	5.6
72.08149	8.0
73.02919	5.2
79.05492	6.3
81.03405	10.0
81.07047	10.5
83.05015	3.9
84.04508	6.0
84.08127	5.2
85.02901	100.0
85.06555	3.5
86.09677	6.1
87.04472	49.2
91.05464	12.2
93.07040	9.9
95.04980	6.1
95.08578	15.0
97.02894	71.7
97.06505	4.4
99.04440	7.4
101.02368	3.0
101.06038	4.4
103.05464	16.1
105.07012	7.3
107.04956	6.5
107.08556	4.1
109.02871	7.1
109.06496	6.0
109.10149	5.8
110.07137	3.4
111.04506	5.5
111.08042	13.9
115.03930	76.6
115.07559	5.3
117.07045	3.7
119.04993	3.8
119.08569	18.8
120.78533	2.9
123.08102	5.1
127.03918	16.0
129.10217	4.1
131.04950	23.2
133.04953	85.5
135.08046	5.1
136.56267	2.9
137.09622	11.1
145.04970	25.8
147.04417	8.6
147.08052	7.3
147.41998	3.0
150.07602	7.4
151.07616	3.1
153.09061	3.6
160.07681	4.4
161.06018	5.3
163.03879	5.0
163.06044	14.3
163.07533	11.9
165.09128	11.9
167.06950	5.5
177.70995	2.9
183.10156	5.5
188.07066	4.8
193.04828	4.2
201.11195	27.3
229.85556	3.0
256.08286	4.0
265.41510	3.3
277.09186	5.5
338.18588	3.5
418.72067	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	397.2222
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03944	1.2
55.01860	1.8
55.05504	2.2
57.03423	3.4
58.06594	0.7
61.02913	3.6
67.05494	4.3
69.03429	15.6
69.07050	3.2
69.07377	0.8
70.06567	2.2
70.77266	0.8
70.77611	2.4
71.01398	0.8
71.04987	2.0
73.02892	2.6
79.05479	2.1
81.03413	4.9
81.07061	4.2
83.04946	0.8
83.08622	1.0
84.08146	1.2
85.02902	30.9
87.04453	2.4
91.05474	3.8
93.07037	7.7
95.04971	17.4
95.08607	7.9
97.02888	10.9
97.06518	1.0
98.21617	0.8
99.04443	2.6
100.62346	0.9
101.02387	0.9
103.03941	1.0
105.07006	6.3
107.08588	7.4
109.02869	5.0
109.06516	12.8
109.10149	8.7
115.03918	1.0
117.06990	1.5
119.08567	7.9
121.06516	3.6
121.10128	5.1
123.08080	15.7
127.03899	9.2
129.07002	1.0
131.08565	4.8
133.06517	1.3
133.10127	4.2
135.08051	9.0
136.03889	0.7
136.67017	0.7
137.09627	4.2
137.87547	0.8
140.14386	0.8
141.52586	0.7
142.07819	1.1
143.08614	3.8
145.04965	5.7
145.10109	2.4
147.08054	11.3
147.11697	1.8
148.08810	2.1
149.09628	12.5
157.10176	3.9
158.88490	1.0
159.11742	4.2
161.09615	20.6
161.13232	0.9
169.09842	1.5
171.11697	1.5
173.13298	1.8
175.11189	2.4
182.67076	0.7
189.16362	3.1
199.14828	6.6
201.11214	4.5
215.14246	1.4
217.15878	100.0
218.16267	3.9
229.15807	2.2
233.15193	1.5
235.16934	20.2
259.16962	3.4
271.16928	2.7
277.17999	3.8
289.18036	3.1
333.39362	0.8
361.20206	3.6
362.20389	1.0
379.21326	3.9
397.21976	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	397.2217
Annotation	CHEBI:69890
Peak:m/z	Relative Intensity
51.37052	2.6
52.22947	2.9
53.03943	4.0
53.11069	2.9
54.09253	2.5
55.01848	4.1
55.05510	8.3
56.05051	2.8
57.03432	11.4
58.06594	14.5
61.02913	9.9
67.05487	12.9
69.03429	27.3
69.07068	9.5
70.06593	22.2
70.71117	2.5
71.04985	6.3
72.08150	11.2
73.02910	6.5
75.04456	4.8
76.96717	2.5
79.05486	20.4
79.56935	2.5
81.03416	12.5
81.07055	41.1
83.04984	6.7
83.08633	3.6
84.08131	6.5
85.02904	72.5
86.09696	24.8
87.04430	4.7
91.05474	14.9
93.07035	30.3
95.04961	10.6
95.08597	26.0
97.02901	28.5
97.06528	5.9
105.07020	48.3
107.08595	46.5
109.02867	7.8
109.06522	9.4
109.10163	15.1
111.04462	3.9
111.08090	3.7
116.07020	3.1
117.07000	13.4
119.04945	4.8
119.08579	49.1
119.46422	2.5
120.08102	4.3
121.06493	2.9
121.10159	18.1
123.08031	6.5
127.03902	19.8
128.06261	3.4
129.07002	10.8
129.10248	3.7
130.07823	3.4
130.11465	2.8
131.08553	23.9
133.10139	29.4
135.08046	3.6
135.11665	5.8
137.05977	3.1
137.09622	4.6
142.07785	9.5
143.08562	19.2
144.09312	5.6
145.04984	12.6
145.06487	2.9
145.10127	23.5
147.04419	4.5
147.08049	3.2
147.11685	16.0
149.09593	4.2
149.13316	3.3
155.08553	4.7
157.10126	41.7
159.11690	100.0
161.09601	9.6
161.13246	36.5
169.10207	5.6
171.11684	14.3
173.09509	3.6
173.13225	8.1
175.14868	5.8
177.12782	7.7
183.11565	4.5
184.12617	3.2
185.13171	5.1
187.14847	7.2
189.12817	3.2
189.16385	24.3
190.84113	3.1
197.13264	4.8
199.14807	36.0
201.12721	6.8
201.16364	11.6
209.13313	3.0
215.14316	7.2
217.15871	87.8
219.17441	5.2
233.15399	3.2
235.16891	30.3
247.17007	7.7
275.09229	5.2
293.10120	3.3
355.09216	2.7
357.15747	3.4
361.20090	6.3
379.21216	11.1
384.80405	3.4
397.22256	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01868	7.7
55.05496	10.3
57.03422	7.7
58.22261	2.3
61.02914	10.0
62.06073	2.4
65.03920	5.6
67.05502	18.8
69.03423	29.2
69.07044	4.8
70.06579	9.4
70.13098	9.0
70.13513	3.9
71.04980	4.7
72.08141	2.8
73.02924	5.0
75.04469	5.7
79.05501	12.3
81.03426	13.6
81.07047	37.1
83.04973	25.1
84.04492	21.5
84.05289	2.9
84.08139	4.1
85.02898	67.3
86.09727	2.4
87.04460	5.2
89.03905	3.0
91.03933	3.2
91.05462	19.8
93.03391	5.5
93.07042	20.7
95.04971	25.3
95.08603	34.2
97.02882	21.5
97.06558	4.9
99.04446	5.3
103.05434	2.8
105.07026	53.1
106.07409	3.4
107.04266	4.2
107.04943	48.8
107.08045	2.2
107.08596	23.1
109.02864	10.1
109.06507	8.2
109.10139	15.7
110.07149	6.4
111.04449	26.4
115.05429	6.3
117.03395	3.5
117.07000	21.2
119.04906	10.9
119.08583	33.4
120.08092	9.3
121.02850	3.9
121.06499	6.0
121.10139	26.9
123.04394	12.8
123.08041	9.5
127.03909	20.4
129.05508	12.0
129.06960	5.5
130.06561	2.7
130.07741	3.1
130.76999	2.1
131.04901	4.1
131.08548	19.3
132.08080	6.0
133.02809	2.8
133.06479	9.9
133.10130	24.7
134.06032	12.4
135.04437	12.4
135.06323	9.2
135.08002	4.0
135.11705	3.1
136.07545	6.2
137.05983	3.0
137.09618	3.1
139.03879	11.2
142.07738	9.7
143.04883	3.4
143.08572	15.1
144.09282	9.2
145.02798	5.5
145.04970	13.1
145.06488	20.9
145.10106	28.7
146.05957	7.4
147.04398	23.3
147.06650	4.7
147.07991	5.4
147.11705	12.2
148.07550	10.0
149.02147	3.2
149.05972	3.8
149.08299	10.8
149.09564	3.1
149.13170	3.3
150.09077	5.1
151.03874	3.2
152.07066	2.3
157.04985	7.4
157.10133	35.6
159.04384	3.3
159.11674	98.1
160.07571	24.1
160.12009	4.9
161.05931	14.1
161.09615	8.5
161.13252	30.1
162.05431	3.5
162.09138	6.9
163.03883	50.5
163.06000	3.2
163.07529	7.9
164.04311	5.4
164.07109	3.3
169.10025	4.0
171.11673	10.1
173.13228	7.8
175.11198	3.8
175.14911	5.2
176.07042	12.5
177.05579	3.8
177.07384	11.4
177.12730	13.9
178.05014	4.7
178.08635	19.6
179.09058	2.4
187.03967	3.5
188.04381	4.9
188.07042	34.5
189.05446	9.5
189.16370	23.1
192.06573	9.3
199.14816	50.3
201.16382	20.8
204.06519	13.6
205.06914	18.7
206.08112	49.6
207.02960	2.9
207.06535	5.1
211.14966	3.0
217.15858	100.0
218.16182	4.2
222.07590	3.9
223.07939	8.1
224.09160	15.1
235.16878	28.6
274.24335	2.7
337.09201	12.3
351.12646	3.4
353.07870	3.0
379.21069	5.7
380.13501	11.8
397.07214	6.7
397.13086	18.6
397.21490	5.0
398.14474	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2221
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03933	2.2
55.01868	2.4
55.05508	1.7
56.96559	1.0
57.03437	4.8
59.05001	0.9
60.87070	0.6
61.02923	4.7
65.03932	0.9
67.05502	4.3
67.20398	0.7
69.03078	0.8
69.03429	15.7
69.07064	2.0
70.06572	2.2
70.97239	1.4
71.01343	0.7
71.04983	2.2
72.08142	1.2
73.02897	3.0
75.04468	0.7
78.22514	0.6
79.05468	3.5
81.03409	5.5
81.07043	8.4
82.56942	0.7
83.04968	1.4
83.08644	1.5
84.04493	1.4
84.08134	2.4
85.02903	34.6
85.03426	1.7
86.09718	1.1
87.04448	2.8
91.03946	2.3
91.05463	5.3
91.25063	0.6
93.07035	10.4
95.04961	19.8
95.08603	8.3
97.02895	13.8
97.06503	1.5
98.05975	0.7
98.97556	0.6
99.04462	3.3
103.03959	1.4
105.07026	8.7
107.04945	1.4
107.08587	7.4
109.02893	4.2
109.06518	14.1
109.10155	8.9
110.07144	0.9
111.04408	0.9
111.08042	1.1
115.03885	1.2
116.78641	0.7
116.98565	0.9
117.07006	3.4
119.08570	9.4
121.06496	2.4
121.10136	5.9
123.04443	0.7
123.08067	15.0
124.08389	0.8
127.03918	9.2
128.06215	1.2
129.06940	1.8
129.10301	0.6
131.08528	4.2
133.06505	1.5
133.10124	6.7
135.04417	0.8
135.08069	7.8
137.05988	2.1
137.09633	2.0
141.06998	1.3
142.07776	2.1
143.08560	4.8
145.04962	7.6
145.06454	1.5
145.10127	5.1
147.08049	9.6
147.11670	2.9
148.08803	1.2
149.09618	9.5
149.63950	0.7
155.08417	1.1
157.10136	6.1
159.08018	1.6
159.11690	10.2
161.05948	0.9
161.08279	1.2
161.09618	22.1
161.13268	3.0
163.03928	3.9
163.06084	1.0
163.07481	0.7
165.05489	0.9
169.10072	1.6
171.11661	1.9
172.07593	1.4
173.09593	0.8
173.13249	1.9
175.11111	3.5
175.14798	1.7
177.12750	2.9
178.04901	0.9
185.13167	0.8
187.14772	1.2
188.07079	2.6
189.12770	1.3
189.16389	3.8
199.11145	0.9
199.14806	8.5
200.06879	0.8
201.12674	1.3
205.06830	1.0
206.08112	2.5
213.12738	0.8
215.14308	2.6
216.14783	0.9
217.15881	100.0
218.08141	0.8
218.16273	3.3
229.15863	2.2
233.15381	2.0
235.06007	3.1
235.16914	24.0
236.09097	3.4
236.17229	1.0
241.15782	0.8
245.15460	0.8
247.16971	4.3
257.15613	0.9
259.16913	5.1
271.16931	1.5
277.17899	3.4
289.18024	2.2
301.18045	1.0
321.93451	0.7
343.19003	1.2
361.20230	5.2
379.21170	4.6
382.86478	0.8
397.13779	1.0
397.22260	11.7
398.14462	1.5
418.30786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
57.03423	1.0
67.05501	2.1
70.33351	1.0
71.09081	1.4
71.09420	1.9
79.05493	2.1
81.07037	4.0
89.03881	1.1
91.05485	10.1
93.07044	2.4
94.04185	1.4
95.04962	2.4
95.08605	2.0
97.02888	1.2
97.06516	2.1
103.05454	3.0
105.07027	4.0
107.04941	2.5
107.08607	1.9
109.06543	1.2
115.05454	2.2
117.07015	2.2
119.04951	6.5
119.08562	1.2
120.05766	1.2
121.10120	2.1
122.03672	6.5
127.03882	1.0
128.06224	3.1
129.07001	7.7
131.04930	1.7
131.08575	4.8
133.06503	1.6
133.10101	1.8
137.05972	87.2
138.06300	2.2
141.06960	4.6
142.07747	2.2
143.08525	1.7
144.05704	2.1
144.08154	1.3
145.06471	3.2
146.03650	1.7
146.07251	2.3
147.04385	3.4
147.07999	1.9
147.89967	1.3
149.05972	5.2
151.07530	11.8
153.05504	1.3
153.06953	2.4
154.07700	2.0
155.08562	3.1
157.06488	3.3
157.10123	2.5
158.07263	3.4
159.08040	6.0
159.11691	1.3
161.05975	13.0
161.09604	3.5
163.07573	2.2
165.07059	4.2
167.07077	1.1
167.08571	2.6
168.05746	1.0
169.06470	2.7
170.07236	2.2
170.84001	1.1
171.08080	6.2
172.08803	3.0
173.06032	1.3
173.09636	2.5
173.13367	1.1
174.06723	1.7
175.07507	5.0
181.06540	2.0
182.07338	6.9
183.08023	3.1
184.05280	2.0
184.08853	2.6
185.06007	1.6
185.09615	9.0
186.06750	2.0
187.07545	6.4
187.11226	1.4
188.08452	1.4
189.09111	4.4
189.12732	2.0
191.06935	6.5
193.06496	1.3
194.07277	2.8
195.08002	2.6
197.06012	1.6
197.09596	10.6
198.06755	14.2
199.07495	6.9
199.11191	1.4
200.08286	4.0
201.09113	5.1
203.08507	1.5
205.08527	1.9
210.06786	4.6
210.14774	1.3
211.07489	5.1
212.08275	3.1
213.09077	21.3
215.08719	2.2
215.10669	6.4
217.08452	1.9
217.10286	2.0
217.11989	1.2
217.15927	1.3
223.07594	1.6
224.08426	1.5
225.09100	11.8
227.10742	2.1
228.07573	1.3
229.08380	1.7
229.10329	1.8
231.08051	2.5
231.10036	1.3
232.08691	2.6
233.09706	1.7
235.16867	1.4
237.09099	1.6
240.07829	1.2
242.09370	1.3
243.07964	2.1
243.10156	15.9
244.08641	2.4
245.09648	4.3
245.11862	2.2
246.10428	1.5
248.08264	1.5
249.09157	2.9
255.10152	7.9
257.09674	4.6
258.10300	1.3
259.07529	2.9
259.11032	1.4
260.08359	2.3
261.09186	7.1
262.09924	1.6
263.10764	2.9
264.07822	2.0
265.08514	3.1
271.07602	2.9
272.08228	1.4
273.09091	3.4
273.11255	62.7
274.09619	2.0
275.06946	1.6
275.10648	4.0
276.07858	1.8
277.08600	5.8
277.12189	3.8
278.09390	4.5
279.10339	1.3
285.09274	1.9
286.09766	2.2
287.07251	2.2
287.10663	1.9
288.07855	2.1
289.08640	3.5
289.12036	2.8
290.09366	3.4
291.10156	9.3
292.07333	2.5
292.10782	2.3
293.08130	3.6
293.11734	4.2
294.08966	2.5
301.08676	2.9
302.09302	3.3
303.10233	5.9
304.10941	1.8
305.08212	2.1
305.11719	3.6
306.08920	2.4
307.09616	11.3
308.10324	6.4
309.11118	3.1
315.09909	1.6
316.11090	1.3
317.11844	4.0
318.12338	1.3
319.09656	3.1
319.13214	2.3
320.10526	3.3
321.11142	6.0
322.12000	1.2
325.10678	3.1
329.11719	2.1
331.09592	2.6
333.11163	4.6
334.11923	2.3
335.12723	6.0
336.13486	3.5
337.14310	1.9
339.12354	4.0
346.12036	1.7
349.14398	6.7
351.12213	12.5
353.13815	3.8
354.14655	27.8
355.15027	1.9
361.14648	2.5
364.12878	1.6
365.13885	2.3
366.14600	1.5
367.15341	4.5
379.15451	18.4
380.15924	1.2
397.16461	100.0
398.16837	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
56.06448	1.5
67.05507	1.9
67.29292	1.4
69.03442	3.5
69.07036	1.7
69.66019	13.0
69.66360	2.3
70.65958	1.6
71.04974	2.3
72.01318	1.7
76.61823	1.7
79.05486	4.0
79.50865	1.9
81.03396	1.7
81.07047	3.5
85.02911	2.1
87.82389	1.8
91.05496	10.8
93.06993	2.2
94.04163	2.0
95.04954	2.9
97.06531	3.2
103.05459	3.5
105.07034	6.5
107.04927	1.9
109.10163	2.5
115.05441	3.6
119.04932	6.8
119.08576	2.0
122.03627	7.0
128.06255	4.4
129.07011	8.5
131.04892	3.3
131.08559	6.7
133.10104	4.2
135.11726	2.4
137.05972	88.7
138.06383	1.9
141.07024	4.2
142.07817	3.2
143.08571	2.3
144.05666	2.1
147.04414	4.4
149.05954	5.5
151.07559	10.8
152.06186	2.2
155.08563	5.3
156.09433	1.9
157.06508	4.0
157.65219	1.9
158.07193	1.9
159.08069	6.2
161.06015	11.8
161.09605	3.9
165.07002	4.8
167.08575	3.7
169.06432	4.4
170.07289	3.3
171.08070	5.6
172.05309	1.7
172.08850	4.6
175.07539	5.0
181.06523	3.5
182.07248	6.0
183.08031	3.6
184.08803	2.4
185.06010	3.2
185.09602	9.7
187.07549	5.9
187.11176	2.8
189.09172	4.4
191.07004	9.1
194.07242	2.8
195.08018	3.2
197.05988	2.6
197.09631	10.0
198.06755	14.2
199.07533	8.3
200.08224	2.3
201.09158	7.6
205.08568	2.3
210.06758	3.0
211.07536	6.3
212.08339	6.3
213.09109	17.4
215.08743	3.2
215.10703	8.1
217.08534	2.8
224.08450	2.1
225.09157	9.9
229.08453	2.1
231.08022	3.4
234.06647	1.6
242.09372	2.4
243.07956	2.5
243.10185	14.8
245.09471	3.5
245.11758	3.5
248.08110	3.7
249.09225	3.1
255.10196	7.4
257.09613	2.4
258.07092	1.9
259.07547	2.6
261.09055	5.1
263.06873	2.2
264.07877	3.2
265.08640	4.7
272.08206	2.3
273.11252	65.5
275.10641	4.8
276.07825	4.1
277.08673	4.0
278.09238	3.4
285.08994	2.8
286.09741	3.0
287.07211	1.8
288.08298	2.1
289.08685	5.0
289.12308	2.8
290.09241	3.1
291.10095	9.6
292.07288	3.5
292.10678	2.2
293.08069	4.8
293.11691	4.8
301.08450	3.7
302.09256	3.1
303.10117	5.2
304.10959	2.7
305.11829	2.6
306.08768	2.9
307.09714	9.6
308.10382	5.9
310.64426	1.8
317.11646	4.5
319.09744	5.0
320.10510	1.9
321.11298	7.7
325.10770	2.3
333.11127	3.8
335.12851	9.1
336.13449	2.6
337.14331	1.9
339.12201	2.7
347.12820	3.4
349.14316	6.9
351.12222	16.4
353.13712	4.9
354.14639	22.3
361.14594	3.4
365.13855	2.4
365.49487	1.8
367.15466	4.2
379.15350	18.9
397.16476	100.0
398.16751	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	396.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19246	2.0
54.57529	2.1
55.05499	4.9
67.05501	6.9
69.07062	7.3
71.64675	3.9
72.08154	2.4
79.05501	9.2
81.07043	9.7
82.35333	2.0
86.09689	2.9
91.05470	19.7
92.14410	2.1
93.07034	14.6
95.04962	5.0
95.08597	8.4
96.08086	2.0
105.07032	34.5
106.07396	2.0
107.08591	12.3
109.06545	2.3
115.05441	2.6
117.06981	9.1
119.08573	20.7
121.06518	2.5
121.10155	4.7
123.08103	2.8
124.99956	1.8
128.06210	21.0
129.07010	29.2
130.07799	2.7
131.08548	16.3
133.10095	3.8
137.09668	2.0
141.06982	5.1
142.07773	34.6
143.08549	73.2
145.10129	14.8
150.44708	2.0
155.08549	6.7
156.09337	11.2
157.10114	70.5
158.10628	3.3
159.11703	9.0
169.10114	6.6
170.10922	3.1
171.11703	17.9
184.07327	9.4
184.12428	3.9
199.12950	4.8
199.14812	100.0
200.15248	3.3
203.10384	2.3
217.15825	13.1
259.16956	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	397.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53939	0.8
56.96559	17.7
61.10151	0.9
71.34141	2.7
71.95295	1.3
84.96053	4.4
85.02914	0.9
98.97583	42.5
110.97569	16.1
112.99128	83.9
116.98618	13.6
124.99186	1.4
128.98589	13.2
131.00166	100.0
132.00500	1.4
134.99670	4.6
140.98584	1.2
143.00130	4.2
144.98116	1.4
145.01775	2.1
146.99649	6.2
149.01219	46.4
152.98552	1.9
154.01715	1.9
155.00108	1.6
158.99644	7.6
161.01221	6.7
162.99104	1.3
163.02800	1.2
167.02319	1.6
170.99580	5.3
172.02776	1.3
173.01224	18.3
175.02820	5.9
177.00699	6.8
187.02800	2.8
189.00752	4.1
191.02252	13.5
193.03841	12.9
201.00594	5.2
203.02283	1.4
205.03853	1.4
209.01239	3.4
211.04823	7.4
214.25742	1.0
219.01753	49.0
220.02306	1.4
221.03313	1.6
227.02286	2.1
233.03273	5.9
235.04860	1.8
237.02823	78.6
238.03136	2.0
242.03387	1.8
247.04997	1.5
255.03827	5.6
257.03241	2.2
260.04483	2.1
263.04404	3.8
269.05423	1.2
275.04376	15.6
277.05920	2.1
281.05536	6.0
283.07126	1.3
293.05460	19.5
307.06989	1.1
319.07111	2.3
337.08051	82.6
338.08313	1.4
348.67004	1.0
355.09109	78.9
356.09351	1.8
378.10651	3.5
397.10156	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	396.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70772	0.7
57.03397	1.8
67.05492	1.0
69.03386	1.0
69.07076	3.2
69.07354	0.6
71.64162	1.2
75.47050	0.6
79.05452	2.4
81.07048	1.5
81.84622	0.6
91.05452	1.1
96.08054	0.7
97.06532	10.1
105.07005	1.0
114.56716	0.6
129.06989	0.6
131.08583	0.9
137.05920	1.2
141.06844	0.6
143.08482	1.7
145.06476	0.8
146.06001	1.3
147.06778	9.7
147.07901	1.3
147.12776	0.6
148.07544	0.8
157.10065	0.9
159.08054	2.3
160.11116	1.6
161.05962	1.2
171.08037	1.0
173.09567	1.5
174.09074	0.8
175.07565	0.8
176.07036	3.0
176.10689	5.0
177.07820	9.3
177.09172	0.9
185.09628	1.6
187.07452	1.6
188.10707	1.7
189.09077	1.4
199.07524	1.1
201.09044	1.1
202.12263	9.9
203.10605	0.8
204.10216	5.2
205.10995	1.6
206.11693	2.3
213.12701	1.2
214.08588	1.5
216.10126	2.7
216.13809	0.8
229.10831	4.5
230.15375	4.1
231.13879	3.8
241.12225	0.9
258.14890	17.7
260.12808	2.4
273.13559	18.4
285.14978	0.7
302.17496	89.3
303.17883	3.6
305.16251	7.2
316.19061	5.9
328.19006	3.2
332.22095	0.8
334.20114	100.0
335.20480	4.6
346.20062	2.7
356.43082	0.8
360.21704	9.4
378.22751	24.0
378.27487	1.3
379.23212	1.8
396.23804	53.9
397.24057	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	396.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54930	0.6
53.03920	0.7
55.01879	0.8
56.05032	68.8
58.06594	1.3
67.05495	1.3
69.07060	0.9
69.57696	3.3
69.58104	1.7
70.06590	0.9
71.04984	1.3
73.02930	0.7
73.50540	0.6
74.06075	49.9
79.05486	2.0
80.05015	1.2
81.03411	0.8
81.07050	1.9
87.47334	0.6
90.05566	0.8
91.05476	4.6
93.07045	3.5
94.06571	0.9
95.08588	1.1
97.06526	1.0
100.07626	0.6
102.05534	100.0
104.99845	0.6
105.07018	10.5
107.08580	4.7
108.08109	1.6
117.07026	2.3
119.08569	5.8
122.09682	0.7
125.09650	0.8
128.06218	0.9
128.07082	0.8
129.07010	1.3
130.07761	0.8
131.08582	5.4
133.06497	0.8
133.10130	2.4
135.08087	1.1
142.04964	0.7
142.07768	1.8
143.08534	3.4
144.08093	0.7
145.10095	4.2
146.09581	0.8
147.08054	0.8
147.11717	2.2
148.64078	0.6
149.13290	1.0
151.11209	0.9
152.07062	2.5
155.08563	0.8
157.10109	6.0
158.09682	0.9
159.08069	1.6
159.10477	1.0
159.11678	6.1
159.72282	0.7
160.11203	0.9
161.05957	0.7
161.09668	0.9
161.13205	1.0
166.08591	1.2
168.09360	1.8
171.11673	2.6
172.11331	0.7
173.09595	1.2
173.13248	2.1
175.11165	5.0
177.09094	1.2
178.08664	0.8
183.11652	3.7
185.13277	2.9
187.11185	2.0
189.12715	3.2
190.08682	1.0
198.07599	4.9
199.11168	2.6
201.12762	3.3
201.14890	0.6
202.61047	0.7
203.14256	1.6
204.10201	1.0
205.38484	0.6
206.11804	1.3
211.11203	0.8
217.12273	8.4
229.12279	3.4
232.13324	2.2
234.15082	0.7
235.13269	2.0
236.96262	0.6
244.17020	1.6
245.14194	0.9
247.13333	2.5
250.10828	1.5
258.73367	0.6
262.17969	0.7
263.15384	0.7
271.38968	0.6
272.16440	2.3
278.13840	3.7
290.14362	0.5
290.17453	12.8
290.20471	1.1
292.18973	1.4
302.17609	2.3
306.33163	0.7
308.18521	0.7
318.16959	3.7
334.20074	2.9
336.18060	12.4
338.15948	1.1
350.19574	3.3
396.19925	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	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52699	1.9
53.71959	2.0
55.05495	9.0
57.07077	14.5
61.60415	1.8
67.05510	19.2
69.07063	24.0
71.08617	10.5
71.13068	5.8
72.88361	1.9
79.05485	12.6
81.07053	52.2
83.08608	11.2
85.10194	12.8
88.94460	2.4
91.05486	19.0
91.42303	1.9
93.07042	18.1
95.08595	32.3
97.10177	10.4
104.67873	1.8
105.07034	30.3
107.08593	18.4
109.10169	16.0
111.11709	7.0
117.07008	13.4
119.08578	13.7
121.10133	8.5
123.11706	7.0
129.07007	5.0
130.07776	2.7
131.08575	16.1
133.10130	31.1
135.11668	4.6
137.13208	2.8
139.14891	1.9
143.08560	6.5
145.10120	52.4
147.11671	25.3
149.13297	5.1
157.10144	8.2
159.11678	38.2
161.13239	8.7
169.19986	2.5
173.13243	10.1
175.14838	2.9
185.13275	3.8
187.14798	5.6
199.14799	6.5
201.16339	3.6
213.16431	5.6
221.22708	2.1
227.90242	2.2
241.19528	7.7
255.21083	6.3
301.28812	3.3
395.36725	100.0
396.36917	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	395.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.8
57.07062	15.1
67.05504	22.0
69.07059	19.0
71.08131	8.3
71.08611	17.6
72.13010	3.8
79.05489	13.9
80.62432	3.4
81.07050	53.5
83.08628	11.3
85.10162	12.7
90.37683	3.8
91.05476	20.2
93.07046	12.8
95.08592	28.8
97.10169	6.7
105.07035	27.9
107.08597	15.9
109.10157	21.0
111.11697	8.1
117.07007	11.6
117.70772	4.4
119.08584	13.1
121.10163	8.5
123.11697	7.7
129.07018	6.0
131.08565	15.5
133.10124	30.0
135.11653	8.4
145.10123	43.1
146.85909	4.6
147.11687	23.5
149.13251	7.4
157.10063	5.9
159.11656	35.9
161.13287	8.3
163.14778	5.2
173.13284	14.0
199.14885	10.1
213.16283	5.4
255.21028	5.7
275.27689	4.6
345.47067	4.8
395.36710	100.0
396.36841	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	395.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.05518	3.9
57.03434	2.7
57.07070	1.9
57.32162	1.5
67.05508	2.2
69.03429	8.8
70.06584	2.8
70.30452	6.1
70.30838	3.4
72.08141	1.7
73.02906	2.6
79.05484	5.0
81.03402	6.6
81.07043	12.4
83.04935	1.8
84.04504	1.9
84.08136	3.4
84.59516	1.6
85.02896	13.2
86.09704	2.0
87.04489	1.6
91.05485	6.5
93.07055	4.8
95.04967	4.4
95.08592	6.0
97.02903	6.3
98.21518	1.9
99.04436	2.4
105.07024	12.5
107.08601	6.3
109.02868	2.2
109.06527	2.0
111.04440	2.3
117.07002	4.2
119.08578	7.6
120.08068	2.9
121.06509	2.7
121.10163	2.0
123.93687	1.5
125.09513	1.4
125.80155	1.7
127.03936	3.5
128.06224	2.0
129.06981	4.8
130.07741	2.3
131.08559	15.7
132.95987	1.5
133.10106	3.0
135.08025	4.1
136.40236	1.5
141.06967	5.7
142.07745	3.6
143.08551	7.6
145.04979	1.6
145.10109	20.0
147.11731	1.8
152.79146	1.4
154.07672	2.0
155.08545	30.9
156.09344	5.5
157.10153	8.3
159.08072	8.8
159.11699	14.6
163.03935	2.1
167.08524	8.1
169.10081	10.2
171.11728	2.0
173.09543	4.2
173.13307	3.1
176.07008	2.4
182.10902	15.5
185.13278	2.4
187.14806	15.1
197.13251	56.2
204.06641	2.3
210.91727	1.8
215.14316	100.0
233.15369	9.1
247.97687	2.0
297.58081	1.9
377.19748	3.0
395.08560	1.8
395.14035	2.2
395.20343	4.3
412.02954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01872	0.7
55.05506	1.8
56.05036	1.0
59.87613	0.4
67.05492	0.7
69.03439	2.1
69.07050	0.8
70.06595	5.5
71.63232	0.8
72.08154	100.0
73.08496	1.3
79.05490	1.2
80.05022	0.5
81.03391	1.1
81.07040	1.1
83.04993	0.7
84.08142	86.3
85.02901	2.1
85.08447	1.1
86.09698	1.9
91.05478	2.1
93.07036	0.9
95.04987	0.8
95.08607	0.6
97.02916	0.7
97.06514	0.8
98.97610	0.7
101.10782	3.5
103.05458	0.5
105.07030	2.4
107.04948	0.8
107.08586	1.1
117.07019	0.5
118.36868	0.4
119.08573	1.6
120.08114	0.7
121.10139	1.0
123.08080	0.5
127.03893	0.8
129.06972	1.2
129.10226	0.5
130.08788	0.5
131.04932	0.6
131.08546	1.5
133.10115	0.8
134.06021	0.6
135.08072	0.7
136.06140	0.6
136.07605	0.6
137.06001	0.8
141.06923	0.7
142.07722	0.9
143.08528	1.4
145.05020	0.4
145.06447	0.7
145.10088	2.1
147.04390	2.8
147.08121	0.4
155.08453	0.6
157.10121	1.6
158.06018	0.7
159.08046	0.8
159.11650	1.3
162.05511	0.8
163.03917	0.8
163.07433	0.5
169.10155	1.1
171.11679	0.9
175.07474	0.5
175.11122	1.2
185.13324	0.9
186.05461	0.7
187.11148	0.8
189.09084	1.1
200.14352	0.7
201.12772	0.8
204.06612	0.6
207.08066	1.2
215.10643	2.2
215.14400	1.2
216.08749	0.5
217.12210	0.6
229.12390	0.5
233.11769	1.5
235.07553	1.3
237.02890	0.9
246.14871	1.2
263.06964	2.6
264.15906	0.9
291.06506	2.2
299.12598	0.5
302.11279	0.6
317.22333	0.6
318.20648	4.3
324.18073	0.5
327.07428	0.6
335.23212	0.9
339.40958	0.5
377.24506	0.5
378.22742	15.5
379.23163	0.6
395.25406	23.8
396.25574	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	395.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01860	5.9
55.05520	9.2
56.44738	1.5
56.96558	2.6
57.03431	7.8
61.02918	5.2
65.03933	2.6
65.18487	1.7
65.72698	1.6
67.05511	10.2
69.03426	28.3
69.07056	6.0
70.06588	5.6
71.01361	1.9
71.04977	6.8
71.63171	3.2
72.08150	4.6
73.02907	4.5
73.48199	1.8
79.05496	11.3
81.03410	12.7
81.07053	21.2
83.04971	5.2
84.04496	2.8
84.08131	5.0
85.02906	40.6
85.06540	2.1
86.09700	7.6
87.04429	2.5
91.03943	2.1
91.05473	15.6
93.07052	20.8
95.04968	17.4
95.08607	14.4
97.02884	13.0
97.06513	5.5
98.97572	2.4
99.04453	5.4
101.02372	1.6
103.03925	3.2
105.07030	33.1
107.04977	4.6
107.08592	21.0
109.02874	5.7
109.06527	10.2
109.10134	4.0
111.04415	3.3
111.08106	2.3
115.03941	4.1
115.05457	2.6
116.98623	1.7
117.07024	12.0
119.04935	2.0
119.08578	22.8
120.08121	2.1
121.06509	8.9
121.10170	9.9
123.04427	3.5
123.08065	4.4
123.11739	2.1
125.06004	2.9
125.09594	2.1
127.03883	15.5
128.06212	2.9
129.06978	9.9
130.07796	5.1
131.08577	24.2
133.06473	6.5
133.10144	14.5
134.05978	3.8
135.08041	8.9
135.11682	5.1
137.05986	3.4
137.09668	3.0
139.03827	1.6
141.06993	5.8
142.07777	11.9
143.08565	13.4
144.09349	3.8
145.04947	4.9
145.06479	8.4
145.10136	33.2
147.04347	3.4
147.08038	9.4
147.11665	9.0
149.09654	5.6
149.13263	2.9
151.03868	2.4
151.11198	3.3
153.06984	3.9
153.09038	2.1
155.08507	9.6
156.09319	6.8
157.10118	28.2
158.07240	1.8
158.10844	3.5
159.08066	21.9
159.11685	29.7
160.12042	2.3
161.06036	2.2
161.09616	6.6
161.13260	4.3
163.03883	1.7
163.11174	4.4
163.14813	6.9
165.07056	2.4
165.09102	1.9
167.08560	7.2
168.09381	3.8
169.10104	11.4
171.08025	3.7
171.11700	12.7
173.09618	15.7
173.13242	12.6
175.11166	17.8
177.09244	2.4
177.12692	2.3
179.08551	2.1
180.09328	2.7
181.10164	5.2
182.10896	8.3
183.08051	1.8
183.11546	4.7
185.09595	5.4
185.13249	3.0
186.10332	3.0
187.11206	5.9
187.14864	19.5
189.12732	5.9
191.10632	2.9
191.14339	5.6
195.11673	5.1
197.09618	2.8
197.13261	18.1
199.11183	7.3
199.14833	3.0
200.11983	3.1
201.12746	11.1
204.06566	3.6
205.15854	5.7
211.11288	2.5
213.12698	10.0
215.10893	3.3
215.14310	100.0
216.14670	3.0
217.12283	2.9
217.15852	6.0
225.12685	3.2
227.14291	5.1
231.13771	4.8
233.11742	3.7
233.15359	45.5
235.17012	2.4
239.14180	2.7
243.13899	2.0
245.15363	4.0
251.16550	3.5
257.15402	5.9
261.14917	1.9
271.13327	2.2
275.16437	4.9
299.16309	3.7
311.16406	2.9
341.17477	6.6
358.08246	4.5
359.18521	10.0
377.19611	16.1
395.13647	3.5
395.20694	43.9
396.12747	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	395.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.05507	9.2
56.17732	3.3
60.06499	3.1
67.05500	11.2
67.21136	3.3
69.07053	4.9
70.24818	16.3
79.05485	25.8
81.07057	35.9
91.05473	48.7
93.07039	31.9
95.04959	9.0
95.08612	25.6
105.04449	3.9
105.07034	63.0
107.04939	4.2
107.08576	17.8
109.06505	7.9
109.10178	5.5
115.05452	11.1
117.07024	28.9
119.08565	30.9
121.06563	6.0
121.10124	11.2
128.06221	10.4
129.06981	21.7
130.07788	8.9
131.08569	66.4
133.10120	12.7
135.08057	4.8
141.06998	18.5
142.07787	13.8
143.08551	25.9
144.09334	5.2
145.06476	8.1
145.10107	58.9
147.08040	5.0
147.11685	5.8
147.68845	3.3
153.06999	10.8
154.07776	7.9
155.08548	49.3
156.09303	11.5
157.10152	22.4
159.08098	19.2
159.11673	30.8
160.47154	3.7
161.13289	8.1
167.08583	24.4
168.09297	8.0
169.10109	34.7
171.11671	13.4
173.09627	12.9
182.10880	24.2
185.13293	12.5
187.14853	31.1
197.13237	64.6
215.14334	100.0
233.15289	5.4
320.01202	3.9
337.28415	3.4
378.23434	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	395.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01868	3.0
55.05496	4.2
57.03418	6.2
58.06599	17.6
61.02915	7.3
67.05485	2.5
67.40086	2.0
69.03427	28.1
70.06579	10.3
71.04980	3.5
71.64917	3.8
72.08158	15.0
73.02911	3.8
79.05482	2.7
81.03404	10.0
81.07054	11.1
83.04987	2.2
84.08142	11.7
85.02899	69.0
86.09710	7.8
87.04481	3.9
91.03928	3.7
91.05476	8.3
93.07037	3.3
95.04978	5.0
95.08598	5.1
97.02884	19.1
97.06505	2.1
99.04450	7.4
105.07022	9.6
107.04939	3.8
107.08591	4.4
109.02883	7.2
109.06532	2.7
109.10059	2.2
113.09679	2.4
117.06999	4.7
119.08565	9.6
120.08095	7.7
121.08432	3.2
121.10123	3.6
123.08042	2.0
127.03903	17.5
128.06281	2.6
129.06979	5.9
131.08566	10.2
133.06458	2.6
133.10078	3.1
135.08037	3.4
137.05942	2.5
137.83183	1.7
141.06958	4.7
142.07735	4.5
143.08543	9.8
145.04951	8.6
145.06456	2.0
145.10123	10.8
147.04382	3.0
149.09659	2.1
153.06982	5.9
154.07738	4.9
155.08553	53.2
156.09276	8.1
157.10114	16.8
158.10858	2.6
159.08037	8.0
159.11739	8.8
161.09607	2.8
165.07021	3.9
167.08557	23.1
168.09271	8.6
169.10133	38.0
171.07939	2.3
171.11700	6.4
173.09581	7.4
173.13307	5.5
175.11195	5.7
179.08516	2.1
181.10173	4.1
182.10905	36.2
183.11569	4.7
185.13261	3.1
187.14809	13.5
195.11726	4.7
197.13251	100.0
199.11253	2.6
201.12660	3.4
203.06952	2.7
213.12833	3.9
215.14301	28.6
216.14659	2.3
232.47168	1.8
233.15343	8.4
258.14572	1.7
268.76678	1.8
273.13602	1.8
289.05179	2.6
302.17700	2.7
334.20160	4.9
367.15381	2.2
374.27731	1.8
377.19373	3.9
378.22836	2.7
395.15445	3.2
395.20569	10.4
396.23849	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	395.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50954	2.8
53.03940	6.8
55.01860	8.7
55.05488	7.8
55.46503	3.0
57.03422	11.6
61.02905	10.8
64.01117	3.1
65.03929	5.2
67.05505	15.0
67.05804	3.0
69.03423	50.4
69.07054	4.8
69.94978	10.3
69.95393	6.3
70.06570	10.6
71.04977	12.4
72.08134	10.2
73.02896	9.6
73.27930	2.5
76.07465	2.7
79.05488	21.0
81.03419	21.7
81.07046	27.8
82.27359	2.7
83.04971	9.8
84.08153	9.1
85.02901	100.0
86.09678	10.7
87.04462	7.9
91.03944	4.8
91.05468	28.5
93.07040	23.9
95.04960	23.2
95.08577	9.1
97.02887	32.7
97.06499	6.5
99.04430	12.8
103.03938	5.1
105.07020	48.1
107.04948	10.8
107.08590	30.3
109.02863	11.8
109.06496	15.0
109.10126	5.9
115.03877	4.7
115.05378	3.7
117.07009	15.5
119.04963	5.3
119.08584	34.7
120.08083	4.6
121.06484	10.1
121.10120	6.5
123.04400	3.7
123.08067	8.6
125.09657	5.6
127.03922	23.5
128.06194	5.7
129.06969	13.0
129.10260	4.2
130.07817	3.3
131.08560	33.4
133.06467	5.6
133.10112	26.5
134.05934	3.9
135.08043	49.1
137.06012	3.4
137.09583	5.6
139.03809	3.1
141.06990	9.3
142.07802	16.9
143.08543	28.3
144.09216	4.3
145.04962	10.2
145.06482	13.1
145.10100	44.2
147.04376	5.1
147.08034	13.7
147.11641	9.5
149.09549	3.2
153.06932	3.8
155.08549	35.1
156.09341	19.8
157.10117	39.5
159.08026	30.0
159.11668	27.5
161.09630	9.1
163.11072	5.2
165.06938	4.3
167.08578	16.5
168.09325	9.5
169.10129	31.0
171.08051	9.0
171.11662	23.8
173.09578	15.9
173.13188	19.2
173.62775	2.8
175.11125	12.3
179.08516	4.2
181.10071	5.9
182.10880	27.0
183.11649	7.0
185.09549	4.3
185.13225	8.7
187.11198	4.7
187.14854	19.0
189.09073	6.9
189.12704	18.0
195.11700	9.1
197.13243	63.2
199.11186	18.8
199.14851	6.6
201.12764	14.6
203.06912	3.3
205.15872	4.5
207.10126	10.9
209.13269	4.1
211.11102	4.9
213.12733	15.2
215.14304	68.7
217.15923	5.9
219.13609	3.3
225.12857	5.1
226.08223	3.1
227.14326	6.7
233.15382	24.5
237.12704	3.9
239.14333	7.3
243.13820	4.6
248.11922	2.8
257.15384	3.8
281.15298	5.7
299.16431	3.9
323.16458	4.0
341.17596	6.5
344.49994	4.0
359.18542	10.1
377.19641	18.3
382.19812	2.6
386.52997	2.8
395.12991	4.5
395.20679	26.8
395.34863	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.3
55.05499	6.5
64.81408	4.1
67.05495	6.3
69.03422	11.9
69.07042	9.1
69.72152	26.1
71.04964	6.4
74.09818	3.3
79.05492	13.7
81.03415	5.1
81.07051	23.4
83.04978	7.5
85.06535	14.2
91.05463	7.7
93.07051	33.3
95.04967	4.4
95.08590	11.0
97.06538	21.1
99.04449	14.2
105.07039	22.7
107.04952	5.0
107.08587	43.2
109.06493	13.6
111.08091	4.1
113.06023	4.7
119.08588	10.9
120.08138	4.1
121.06492	15.0
121.10135	26.8
123.08049	7.3
126.04135	3.5
127.03918	6.9
131.08583	5.6
135.08060	5.1
135.11708	5.8
145.10089	20.2
149.09604	13.0
151.07545	8.3
163.07504	6.6
163.11192	50.7
167.10660	21.7
169.08603	74.9
173.09622	6.8
173.13152	4.4
181.12247	23.1
185.11729	10.9
191.10663	32.4
201.12462	4.7
209.11726	23.6
227.12779	100.0
229.12297	6.7
247.13243	4.8
263.09744	4.1
333.70361	4.4
341.15918	8.5
359.17465	4.4
367.15265	5.0
394.11978	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88897	2.1
59.47089	1.8
70.72411	5.1
79.36129	1.7
94.56729	1.6
98.21529	1.6
101.00910	5.3
119.01941	6.3
131.01938	6.9
137.02977	2.4
142.97592	1.7
143.01929	5.3
145.03499	6.7
155.01903	11.9
157.03477	3.2
161.03015	5.5
165.02322	1.8
169.03517	5.3
171.05150	1.9
173.01555	2.7
173.02959	16.8
175.04471	2.7
185.02948	5.8
187.04596	7.5
203.04163	4.5
215.04063	5.2
222.02567	2.1
233.05159	7.5
240.28322	1.7
244.15926	2.0
263.06134	2.0
275.02875	3.4
275.06119	28.1
276.06418	2.5
287.02686	2.4
289.07959	3.1
293.03827	2.0
335.08145	2.5
395.09604	100.0
396.09961	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77439	10.5
55.05491	17.9
56.96553	44.0
57.03440	11.8
58.06600	18.8
60.04517	20.1
61.02928	14.8
67.05512	10.4
69.03416	41.4
69.80313	62.2
70.06575	34.1
74.02412	12.4
74.06068	17.4
81.03396	20.1
83.04961	16.3
84.04494	18.9
84.08138	72.7
85.02895	61.8
86.09702	17.9
91.05450	27.8
95.04934	11.8
95.08588	13.1
97.02885	39.1
98.97586	39.4
99.04478	17.2
107.04940	34.5
109.02882	19.1
111.04440	11.2
116.98603	36.3
119.04932	90.9
120.08114	14.9
122.06045	15.4
123.04427	13.8
125.02282	14.1
127.03934	14.8
127.92400	11.9
129.10223	19.7
131.01842	11.3
134.06139	11.8
134.99596	13.5
135.04391	21.9
137.05968	73.7
140.07036	15.7
146.99664	15.5
147.04416	100.0
163.03908	16.3
166.05315	20.8
167.07030	17.3
177.00725	15.8
177.05595	11.2
179.07016	97.7
189.00642	12.0
191.20145	11.7
202.04900	17.2
215.14262	22.3
219.01709	18.0
221.03210	12.0
228.99126	10.7
237.02835	30.1
262.09222	10.3
307.90939	12.0
330.20221	13.1
394.10788	14.9
394.34549	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	393.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.1
55.01854	9.2
55.05496	3.1
57.03426	4.1
57.06867	1.8
57.07073	18.9
62.47379	1.8
69.07070	3.7
71.07313	3.4
71.07680	4.4
71.08627	21.1
79.92534	2.2
81.03418	10.2
83.08619	4.4
85.10173	12.4
97.06895	1.8
99.04453	2.1
109.02882	14.9
115.03912	8.8
127.03916	100.0
141.05444	4.1
155.06972	3.4
169.08644	4.6
183.10216	10.0
197.11693	11.5
211.13306	8.6
225.14819	8.8
235.04305	2.2
237.88785	2.2
239.16414	7.7
253.18005	10.3
267.19485	11.7
281.21133	8.4
295.22610	5.9
309.24243	6.8
323.25772	6.3
337.27393	4.7
364.04694	2.1
381.38309	2.1
382.76746	2.3
393.33728	26.7
404.54651	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	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03485	4.6
55.05515	39.5
57.07083	24.3
61.33891	4.3
67.05501	14.6
69.07069	37.2
71.08627	12.3
71.65053	7.5
79.05489	12.9
81.07058	79.3
81.61064	4.8
83.08621	100.0
86.69106	4.3
91.05473	13.7
93.07053	10.3
95.08582	22.2
97.10169	13.5
105.07044	20.9
107.08608	22.3
109.10168	18.1
111.11717	7.6
117.07040	10.2
119.08608	7.0
121.10120	7.1
123.11732	5.7
129.07053	4.3
131.08582	9.2
133.10123	15.9
134.88501	4.5
142.07785	6.8
143.08530	8.0
145.10167	27.7
145.67659	4.7
147.11710	13.0
148.48280	4.5
155.08615	4.0
157.10075	30.8
159.11693	19.4
171.11732	8.9
173.13333	4.9
175.14832	4.8
183.11658	5.6
185.13271	9.8
199.14807	8.6
200.38101	4.9
201.16438	8.2
211.14865	5.6
213.32211	4.5
239.17879	7.2
253.19447	7.8
295.24216	19.1
309.25818	9.7
393.35172	79.2
394.34973	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	393.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92844	7.9
65.72839	7.4
67.72882	6.7
69.89575	43.0
130.00920	6.5
136.72324	6.7
148.45329	7.7
149.94984	7.5
169.21825	8.1
178.88647	6.5
393.16705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1881
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05181	0.5
63.47541	0.5
71.22737	1.4
71.23079	0.6
77.56481	0.6
105.07012	1.0
112.85815	0.7
159.11729	0.7
197.04201	19.2
217.69728	0.6
273.14545	2.0
315.15701	1.5
333.16675	10.8
334.16867	0.7
375.17715	1.4
393.18820	100.0
394.19189	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.05507	22.9
57.07072	12.2
65.27966	2.8
67.05501	34.6
69.03409	4.6
69.07062	22.6
70.68472	2.6
70.68818	8.6
71.08629	4.2
77.03898	2.4
79.05489	46.4
81.07056	60.5
83.04941	4.2
83.08604	8.6
85.06519	3.8
91.05478	59.5
93.07037	80.0
95.04358	3.1
95.04964	60.9
95.08050	3.3
95.08605	48.7
97.06516	13.8
98.98430	8.3
103.05433	4.8
105.07023	92.4
107.04905	3.6
107.08590	55.5
109.06546	12.8
109.10149	33.3
113.29652	2.6
115.05436	4.7
117.07022	22.6
119.08578	100.0
121.06506	25.2
121.10126	41.2
123.08064	6.0
123.11708	12.9
128.06198	11.2
129.07001	15.1
130.07745	7.4
131.08560	41.2
133.10124	56.3
135.08017	7.8
135.11684	20.1
137.09567	4.0
137.86398	2.6
141.06964	10.3
142.07780	26.1
143.08565	37.8
144.09293	10.3
145.06453	3.4
145.10110	74.3
146.07274	3.1
146.10838	3.3
147.08052	5.3
147.11685	27.5
149.09587	7.2
149.13261	4.1
151.11171	3.0
153.07008	4.9
154.07768	5.5
155.01060	14.5
155.05862	2.6
155.08543	17.5
156.09346	16.8
157.10130	65.6
158.10852	4.7
159.08086	5.5
159.11668	44.3
159.12859	4.2
161.09631	14.9
161.13280	5.0
163.11208	4.9
163.14856	3.1
165.06934	3.9
166.07707	4.0
167.08539	8.4
168.09276	5.0
169.10114	22.0
170.10864	5.9
171.11684	27.5
172.12367	3.8
173.09581	6.0
173.13258	28.3
175.11183	8.4
175.14812	19.3
179.08563	5.7
181.10118	16.0
182.10887	8.6
183.11700	21.4
184.12502	3.7
185.09615	3.0
185.13242	10.9
187.11174	10.7
187.14781	11.3
193.10074	6.4
194.10913	6.3
195.11714	8.8
196.12419	6.2
197.13187	16.3
199.14807	9.4
201.12694	3.2
201.16338	10.3
203.14339	2.5
206.10968	3.6
207.11621	8.7
208.12476	3.7
209.13193	18.8
211.14786	13.2
213.00032	2.9
213.16481	3.7
220.12491	3.3
221.13214	4.2
223.14799	10.0
225.16383	5.0
227.14267	3.1
233.13185	2.7
235.14812	7.6
239.14240	4.1
251.17928	3.9
253.15837	5.9
265.19470	3.3
286.95090	2.7
291.20901	3.2
375.26740	9.0
393.27872	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	392.2063
Annotation	roquefortine D
Peak:m/z	Relative Intensity
55.05481	0.2
67.05491	0.3
68.05026	2.9
70.06590	100.0
71.06919	1.0
71.07417	0.2
71.15488	0.7
76.41129	0.2
79.05473	0.6
81.03413	0.3
81.07057	0.8
82.06580	0.6
83.07366	0.4
83.92188	0.2
84.08140	2.4
84.65511	0.2
85.24831	0.2
86.06068	7.6
91.05489	1.1
93.07047	0.9
95.04986	0.5
95.08558	0.3
105.07047	1.5
107.08587	0.7
108.08121	0.3
109.06519	0.4
109.10165	0.2
110.06044	3.4
115.05408	0.3
117.06993	0.4
119.08589	1.0
120.08092	1.1
122.09712	0.2
129.07014	0.4
131.08508	0.6
133.10132	0.5
134.09695	0.4
138.05435	0.2
142.07800	0.5
143.08542	0.3
145.06508	0.2
145.10112	0.3
148.07559	0.3
148.11182	0.3
150.09157	0.5
157.10147	0.7
159.11702	0.8
160.07619	0.3
160.11247	0.3
161.09579	0.4
162.09175	1.0
164.07106	0.3
178.12285	1.1
183.11690	0.5
185.09605	0.2
189.05649	0.2
201.12790	0.3
220.13306	0.4
229.12157	0.3
288.19479	0.3
332.18576	0.7
392.20667	40.8
393.21005	2.8
413.96796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
56.05027	2.8
58.06600	100.0
59.06946	0.5
61.01159	0.9
65.85543	0.4
69.03438	0.9
70.06591	2.7
71.63293	0.9
72.08167	2.1
74.06091	0.5
79.05511	0.5
79.30554	0.4
81.03441	0.6
81.07064	0.7
84.04520	1.6
84.08150	1.0
85.02909	2.2
85.60995	0.4
86.09708	4.1
91.05521	0.8
95.04997	0.4
97.02916	0.5
97.76429	0.4
102.05550	0.6
103.05503	0.5
104.05357	1.0
105.07056	0.7
107.04948	4.6
116.07133	0.7
120.08140	1.4
122.06026	0.5
132.10210	2.2
135.08052	2.1
136.07594	0.5
142.03639	0.4
147.04510	1.0
149.02396	0.8
151.03938	0.7
153.07002	0.7
163.07547	4.7
165.07040	0.8
167.07092	10.3
167.08257	2.2
177.05602	0.7
181.06561	1.1
185.09315	1.1
193.06453	0.5
195.08459	0.8
195.10141	3.7
197.06021	0.6
207.08116	0.6
209.05946	1.0
213.09210	0.5
213.11212	12.3
219.08211	0.6
221.06015	0.8
223.07652	0.5
226.06425	0.6
227.07117	0.8
233.09656	1.4
235.07695	0.7
237.09158	1.1
241.08705	0.8
247.09665	0.4
253.08775	1.1
254.05687	0.5
265.08578	3.0
269.08200	1.2
281.08243	1.1
282.08936	1.3
297.11093	3.8
298.08429	0.8
299.09512	0.5
299.12854	0.7
302.14063	1.4
313.10681	2.1
315.14880	0.7
327.14755	1.1
328.04910	0.5
328.15582	0.6
341.16208	12.4
342.13406	0.6
342.17017	15.9
342.20932	0.9
343.14197	0.6
343.17896	0.5
344.15042	1.7
346.04303	0.4
356.15070	0.6
358.16473	4.2
359.16833	0.4
360.14603	1.5
374.16284	1.6
392.16956	5.5
393.05966	0.5
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
53.03941	3.5
55.01869	3.3
55.05510	14.4
57.07062	9.4
62.51679	2.7
65.03904	5.7
66.46870	2.6
67.05490	24.0
69.03401	5.3
69.07054	12.1
71.08632	4.2
71.64800	2.9
71.65167	4.5
73.43719	2.8
74.42340	2.7
76.91400	2.6
79.05480	26.0
79.92317	3.3
81.03413	3.3
81.07054	38.2
83.04957	8.5
83.08593	6.1
85.06519	5.4
85.19697	2.7
91.05476	40.3
93.07033	34.8
95.04965	44.5
95.08603	23.8
97.06507	8.6
103.05482	3.7
105.07029	75.0
107.08605	26.0
109.06493	10.0
109.10139	11.7
115.05476	6.6
117.07008	23.5
119.08572	60.7
121.06497	11.4
121.10138	32.5
123.08080	6.3
123.11715	5.5
124.72720	2.7
128.06190	13.4
129.07014	17.8
130.07788	8.7
131.08543	24.3
133.06441	3.5
133.10115	17.9
135.08064	4.1
135.11725	5.0
141.06999	8.7
142.07790	18.8
143.08557	36.3
144.09317	5.4
145.10118	43.5
147.08031	5.8
147.11658	12.9
149.02350	18.9
149.09669	3.7
153.07037	3.7
154.07829	3.1
155.08521	13.5
156.09384	15.7
157.10118	37.6
158.10854	6.8
159.08037	10.4
159.11688	18.2
161.09637	7.8
161.13254	3.1
165.06940	6.7
166.07722	3.5
167.08582	8.4
168.09341	8.9
169.10109	24.5
170.10826	5.1
171.08018	6.3
171.11690	15.9
173.09595	8.0
173.13292	13.9
175.11151	6.1
179.08549	13.1
180.09303	9.3
181.10059	14.9
182.10873	9.2
183.11697	21.4
185.09612	5.2
185.13268	8.5
187.11163	4.6
187.14813	3.1
192.09308	6.4
193.10146	16.8
194.10831	8.3
195.11700	17.8
197.09541	5.4
197.13225	17.7
199.11153	10.3
199.14806	8.6
201.12680	4.4
205.10146	5.5
206.10913	8.4
207.11646	16.3
208.12383	8.1
209.09708	2.9
209.13205	21.5
210.13997	5.2
211.14806	13.3
213.12714	4.1
217.10112	7.5
219.11630	10.2
220.12358	6.4
221.13194	15.5
223.11133	6.7
223.14755	8.3
225.12642	6.4
227.14275	6.4
231.11732	4.3
232.12477	3.4
233.13216	10.0
233.15431	5.8
234.13962	4.9
235.14819	10.9
237.12675	5.0
237.16229	7.1
239.17831	4.0
240.61847	2.8
243.11598	3.4
244.12442	3.6
245.13173	4.5
246.14088	2.9
247.14856	9.3
249.16409	15.8
251.18051	5.0
257.13400	3.3
259.09732	3.1
259.14679	5.1
261.16388	6.6
263.18005	9.1
265.19562	4.0
267.17398	7.7
273.16376	5.2
275.17987	6.0
279.17334	5.9
281.19028	3.2
282.19925	4.8
289.19461	4.5
291.17319	4.3
297.18628	6.8
307.20673	3.2
317.18900	3.8
335.19971	11.0
363.26523	3.0
373.25198	21.2
391.26227	100.0
391.35913	5.1
392.26370	8.4
412.32458	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	391.1388
Annotation	Apigeniflavan 5-O-xyloside
Peak:m/z	Relative Intensity
53.03931	6.7
55.01874	9.0
55.05514	3.1
56.20533	2.1
57.03427	3.0
58.06582	3.2
59.04976	2.5
61.02918	2.4
62.67273	1.7
67.05496	10.5
69.03423	7.7
69.07064	8.4
70.06593	2.4
70.98448	3.7
71.01343	11.5
71.04977	9.1
72.08141	2.1
76.75391	1.5
79.05489	9.0
79.75912	1.4
80.79925	1.6
81.03439	3.1
83.04974	5.0
84.08147	3.2
85.02904	4.8
86.09693	2.2
87.04443	3.8
91.05473	7.3
93.07025	2.5
95.04967	24.1
97.02888	6.8
97.06528	49.0
103.05363	1.7
105.07024	3.9
107.04912	2.5
109.02895	2.5
115.03922	2.7
115.05430	10.6
117.03349	2.5
117.06989	2.7
119.08590	3.0
123.04455	10.6
125.09509	1.7
126.88033	1.6
127.03954	2.2
128.06219	4.9
129.07007	9.4
131.08559	5.6
133.04944	4.1
133.06499	5.4
135.04407	6.4
137.06006	6.0
141.06998	13.7
142.07805	2.6
143.03371	16.2
143.04910	3.4
143.08577	9.5
145.06465	2.6
147.04404	7.3
149.02281	10.9
149.06049	2.1
152.06210	3.1
153.06992	3.0
154.07898	2.4
155.08551	2.3
157.05051	4.9
157.06503	5.5
157.10115	7.1
159.08064	3.5
160.05196	39.6
161.02322	3.0
161.05983	78.3
161.09592	2.1
162.06293	1.9
163.03905	55.5
164.04053	2.4
165.05467	4.3
165.07071	4.7
167.07205	3.4
167.08557	21.6
169.05116	3.1
169.06479	8.7
171.08034	9.2
173.05965	19.4
174.06754	7.9
175.03931	7.5
175.07533	19.2
176.04752	2.9
177.05513	3.1
178.38193	2.1
184.05219	5.0
185.05983	11.0
185.09583	9.6
186.06705	1.9
187.07530	13.0
189.05453	7.5
189.09109	100.0
190.09454	3.3
195.08063	25.8
197.06042	3.4
197.09561	1.8
198.06773	6.9
199.07555	5.0
200.04694	2.6
201.05496	2.5
201.09134	9.4
202.06284	4.1
203.07172	8.5
203.10661	13.9
204.04271	2.8
207.02965	2.1
209.04506	2.7
209.08032	8.0
213.09103	54.9
214.09439	2.1
215.07019	74.2
215.10651	6.5
216.07460	2.5
217.08589	21.6
223.07497	3.7
231.10150	34.4
241.08615	16.3
259.09653	93.2
260.09915	3.3
297.70245	1.7
302.07623	2.0
313.66049	1.7
331.11713	11.8
345.13354	16.9
347.11234	2.9
350.35004	2.0
373.12759	8.2
373.21283	2.0
391.14081	34.0
392.13998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1386
Annotation	Apigeniflavan 5-O-xyloside
Peak:m/z	Relative Intensity
53.03938	3.7
55.01859	8.3
55.05496	4.9
65.03905	1.8
67.05489	11.2
69.03416	8.9
69.07055	8.6
69.62338	14.9
70.06553	2.5
71.01351	11.5
71.04999	9.7
71.08609	2.3
79.05475	7.7
81.07043	2.8
83.04960	5.9
84.08150	2.5
85.02918	2.9
87.04475	3.1
88.64302	1.8
89.03878	1.8
91.05455	4.8
95.04968	22.0
95.08598	1.9
97.02871	6.7
97.06529	51.3
99.04450	2.4
103.05418	3.4
105.07018	4.3
107.04969	2.3
109.02863	2.2
115.03922	4.2
115.05457	9.9
117.03304	2.4
117.06998	2.6
119.08564	2.9
123.04446	13.0
128.06203	6.9
129.06993	6.7
131.04912	4.5
131.08548	9.2
133.04953	2.1
133.06497	5.1
135.04375	6.5
137.05934	3.7
141.06981	12.4
142.07817	2.1
143.03413	14.2
143.04938	2.2
143.08554	11.4
145.02788	3.0
145.06491	2.1
146.71388	2.3
147.04372	10.3
149.02373	10.7
149.06007	3.9
152.06223	4.6
157.05162	1.9
157.06511	5.4
157.10123	6.3
159.08104	2.9
160.05203	34.5
161.05983	86.9
162.06512	3.1
163.03911	62.9
165.05505	3.7
165.06973	2.5
167.07208	3.0
167.08537	18.6
169.04962	9.3
169.06480	6.4
171.08035	8.5
173.06035	13.9
174.06772	5.7
175.03899	8.1
175.07550	21.4
177.05476	5.7
181.06476	4.0
183.02800	3.5
184.05203	6.3
185.06010	7.1
185.09604	10.1
186.06763	1.9
187.07497	15.9
189.05501	6.2
189.09103	100.0
190.09459	6.3
195.08070	26.1
197.05928	2.4
198.06793	3.0
199.07536	5.8
201.09096	11.4
202.06180	3.4
203.07056	3.6
203.10663	19.0
204.04166	2.9
209.04359	2.6
209.08092	11.5
213.09116	51.8
214.09421	3.0
215.07018	89.0
215.10551	6.7
216.07303	4.2
217.08623	19.2
223.07555	2.4
231.10158	35.3
238.95331	2.1
241.08603	12.4
249.11082	3.4
259.09656	95.4
260.09915	4.1
267.40363	2.4
277.10745	2.1
316.15805	2.0
331.11758	13.2
344.17474	2.0
345.13403	16.5
347.11224	4.1
373.12970	10.5
374.12692	3.2
391.14108	53.6
391.21729	3.2
392.13742	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01883	1.6
56.96561	9.6
57.03451	1.7
58.06608	2.7
58.99864	6.2
61.02923	2.4
65.48293	1.4
67.74681	1.3
69.03420	4.1
70.02757	8.7
70.06571	1.8
70.68061	1.5
73.02902	3.4
74.06075	1.7
77.00893	6.3
81.03418	4.1
82.06562	1.8
82.99848	3.7
84.04520	1.6
84.96050	3.6
85.02918	7.0
86.09705	2.9
89.79633	1.3
97.02885	4.1
98.21471	1.7
98.97572	5.7
101.00886	33.6
107.21520	1.3
110.97540	2.2
112.99109	2.0
113.00865	6.7
115.02430	3.9
116.98634	2.9
119.01922	80.3
120.02089	1.8
127.03874	2.4
128.98599	2.3
131.00238	3.1
131.01898	45.9
132.01929	1.5
133.03474	8.4
137.03012	7.5
139.02380	1.8
141.03976	6.2
142.03481	2.1
143.01923	10.5
145.03426	5.3
145.04976	1.8
147.05103	2.0
148.04724	2.1
149.01161	1.8
149.02943	7.6
151.04565	1.5
155.01895	16.3
157.03508	15.7
158.99672	1.7
159.05032	11.2
161.02930	12.2
163.03926	4.7
165.03992	2.3
167.01949	3.0
170.99686	2.0
171.05013	3.2
173.02957	29.0
175.02951	2.7
175.04552	6.7
177.00716	3.0
177.06094	8.0
181.03487	5.7
183.05016	18.5
185.01283	1.9
185.02950	18.1
187.04654	2.0
187.08185	2.2
189.00755	2.3
191.04025	2.3
193.03792	2.1
195.05016	3.2
199.04503	40.1
200.04723	3.5
201.00699	2.8
201.02441	3.3
201.06096	25.2
202.06317	2.0
203.04059	15.7
209.02992	3.3
210.05754	1.4
211.04533	3.8
213.06094	3.4
217.05617	3.7
217.07701	1.4
219.01756	2.4
220.06873	6.5
221.05043	6.9
227.04005	54.8
228.04044	2.8
229.01886	2.7
229.05550	3.6
237.02670	2.2
239.03944	6.5
239.06181	7.8
245.02521	2.4
245.05070	47.8
246.05219	3.4
247.03009	2.7
250.05637	1.9
251.04291	1.6
257.05136	5.5
265.05991	4.4
271.00052	2.0
271.03003	36.2
272.03320	2.3
272.06467	3.1
272.56805	2.0
283.03058	2.7
283.06921	5.2
289.04028	100.0
290.04227	6.5
291.09186	3.6
301.04095	24.5
301.07397	2.3
302.04166	2.5
307.05350	2.1
312.05643	6.5
319.05084	22.4
319.08554	2.0
329.07309	2.0
331.05118	7.0
332.05334	1.5
342.06873	1.8
347.08136	10.0
349.05945	2.0
373.06882	1.7
391.06958	32.7
391.14182	1.8
392.07394	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	390.1546
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
55.16513	0.5
56.05040	1.0
56.96568	1.3
58.06598	100.0
59.06929	0.9
60.04513	0.6
69.03447	1.1
70.06593	0.8
71.63776	0.7
72.08146	1.1
79.15379	0.5
81.03450	0.7
81.68203	0.6
84.04510	6.5
84.08126	0.9
85.02925	1.5
86.09706	8.0
91.05535	0.5
93.07101	0.5
96.15295	0.5
97.02934	1.1
98.97599	0.9
102.05531	3.1
107.04956	5.3
116.98608	0.9
130.05011	1.4
132.10240	0.8
147.04428	0.8
148.06032	3.3
161.02902	0.6
163.03908	0.7
165.15552	0.6
197.12914	2.2
211.07584	1.7
215.02283	0.7
215.13960	1.9
228.02773	0.7
228.12434	1.0
233.03293	0.8
239.07127	1.1
257.08234	1.4
264.03503	1.4
267.06458	1.3
285.07507	5.0
287.09204	0.9
390.07828	1.2
390.15469	33.0
391.15732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
56.05035	2.3
56.96566	2.2
57.58889	0.8
58.06602	100.0
59.06888	0.8
62.78317	0.9
63.74743	0.9
67.05478	1.0
69.03415	2.2
69.45044	1.5
69.45445	7.5
70.06581	2.3
72.08143	1.7
74.06075	1.3
81.03407	1.2
84.04500	2.1
84.08150	1.8
85.02889	3.5
86.09703	4.6
98.97585	0.9
102.05532	1.1
107.04958	8.5
124.03986	1.3
127.03916	2.0
129.10272	1.3
129.22037	0.9
144.00966	0.9
185.06126	1.0
187.14410	1.5
210.11258	1.0
228.12346	1.8
237.02727	1.1
267.06714	0.9
269.08087	0.9
327.08566	2.9
331.87454	1.0
347.11246	1.1
372.14447	2.4
390.15445	56.4
391.15854	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49741	3.0
53.03937	4.0
55.01870	6.2
55.61260	2.8
56.96564	5.0
57.03431	2.8
58.06601	25.8
69.03418	9.5
69.91570	20.0
70.06596	20.8
72.08156	10.4
79.05482	5.5
81.03420	3.6
81.07033	3.6
84.04516	3.9
84.08123	4.0
85.02894	21.1
86.09705	13.3
91.05482	6.3
95.04981	4.3
97.02880	6.6
98.21471	4.4
98.91972	3.1
98.97556	6.9
103.05481	9.3
105.07039	41.7
107.04963	6.0
107.08591	3.6
115.05491	7.2
116.98659	3.9
119.04925	4.6
120.08074	3.5
121.06544	6.2
123.04455	3.6
127.03933	4.0
131.04961	4.0
131.08653	3.8
133.06482	44.9
137.05977	15.5
147.04381	3.2
147.08023	3.9
149.06012	8.2
151.07538	6.3
161.05994	100.0
163.03909	7.3
163.07703	3.6
167.07057	5.0
167.10960	2.9
177.05487	4.3
193.08612	60.9
193.10320	4.6
211.07816	3.0
211.09726	12.6
228.15909	4.1
253.08992	3.3
357.15610	6.9
390.18402	38.9
391.15732	29.9
407.12354	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	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99805	0.7
55.01859	1.0
58.06599	60.3
67.05464	0.9
69.03398	0.9
70.06584	2.0
71.63972	2.0
79.05482	0.9
81.06142	0.9
84.08185	1.0
85.02948	1.0
85.06522	0.9
86.09689	1.3
93.48193	0.9
97.02905	1.1
99.04427	1.5
102.63825	0.8
107.04950	1.1
115.05476	1.5
120.08070	1.7
128.06218	1.9
131.08553	1.1
137.05968	1.5
141.06963	2.7
142.07843	0.8
143.04872	0.9
143.08583	1.5
145.06514	0.9
151.03894	1.0
151.07684	0.9
152.06151	1.9
153.07008	2.4
155.08601	1.2
157.06444	1.7
159.08015	2.2
161.05972	1.5
167.04913	1.7
169.06490	2.0
171.08041	2.0
181.06477	3.7
181.08791	1.0
183.04442	1.1
184.05205	3.5
185.06027	1.8
185.09528	1.4
187.07568	2.4
191.69389	0.8
195.08006	1.6
197.05981	2.9
198.06812	1.3
199.07538	2.4
201.05513	1.0
208.05115	1.1
209.05978	5.3
210.06651	1.2
211.03862	1.6
211.07570	3.5
212.04678	4.3
213.05360	4.2
215.07002	6.7
216.04236	4.4
223.07597	2.1
225.05443	3.8
226.06186	6.6
227.06914	1.2
228.04152	2.5
229.04993	3.3
237.05418	6.6
238.06299	1.9
239.06985	2.3
241.08502	6.0
242.05769	4.5
243.06517	19.4
251.07013	1.2
253.04976	16.7
254.05728	50.1
255.06120	2.3
257.08002	5.0
267.06573	2.9
269.08075	98.6
270.05426	1.9
270.08438	3.9
271.05954	5.7
280.03732	1.6
285.07602	13.6
295.05984	7.6
299.09155	3.2
313.07031	3.1
327.08597	3.0
328.21051	1.9
330.07309	24.7
340.01260	0.9
345.09677	100.0
346.09995	3.7
357.15732	1.0
358.19757	1.0
372.23663	1.9
390.15460	55.7
391.15598	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	389.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	1.7
55.05495	2.1
56.05036	8.0
58.06597	4.4
58.41209	1.7
59.06113	2.5
61.48119	1.8
65.03928	1.9
66.03473	3.1
68.05022	18.2
69.03425	1.9
69.76622	12.1
74.58479	1.9
79.05486	5.6
80.81200	1.7
81.07043	8.3
81.29425	1.6
82.06573	1.9
83.06100	17.3
84.04503	5.2
91.05466	7.3
92.61553	1.9
93.07015	2.5
94.06559	4.2
95.04948	3.0
95.08603	4.3
96.04479	3.7
97.06527	3.0
101.07126	2.3
105.07029	14.0
106.06522	3.4
107.06081	13.4
107.08577	5.8
108.06850	8.0
108.08150	2.2
109.06509	3.0
109.07638	49.1
109.10134	2.5
117.07010	5.3
118.06546	2.0
119.04890	1.8
119.08569	8.0
121.06565	1.9
123.08099	2.2
123.09172	2.0
128.06209	2.3
129.07001	5.3
131.08516	8.0
132.08096	2.7
133.06592	2.0
133.07593	1.7
134.06010	2.4
135.05524	6.9
135.09167	4.9
136.06343	9.8
140.05797	31.3
142.07803	3.7
143.08556	6.3
145.10109	4.1
146.09648	1.9
147.08083	2.8
147.09161	30.0
147.11639	3.2
151.08632	3.2
152.07056	4.8
153.06586	75.6
154.07381	15.4
155.08414	7.5
156.09344	1.9
157.10138	7.5
158.09621	2.4
159.09222	9.8
159.11671	4.9
160.09937	6.0
160.11131	2.1
163.08656	7.9
165.06990	2.1
168.09315	2.5
169.10109	2.8
171.11635	2.0
173.10742	2.6
175.11145	4.2
177.10187	2.6
177.60155	2.0
181.10153	2.8
183.11665	10.3
184.11218	4.4
186.12753	3.5
193.10124	3.1
199.12291	2.1
201.12613	3.9
202.12253	2.5
212.12897	1.9
225.46700	1.7
227.10565	2.0
227.15515	2.7
229.12236	4.9
229.82472	1.8
230.11717	2.2
273.19736	4.2
283.18011	6.4
285.19641	4.6
288.15985	3.2
301.19034	9.7
329.18695	12.0
330.17178	1.8
347.19318	2.0
350.14410	2.0
389.20679	100.0
390.21008	5.3
406.42154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	4.2
53.03942	9.3
55.01855	9.1
55.05507	31.6
58.06603	32.9
67.05492	9.2
69.03413	15.0
69.07047	10.3
70.06605	23.5
71.04992	5.6
71.64076	7.6
72.08121	6.1
76.03584	5.1
79.05466	13.0
81.03405	9.2
81.07031	8.3
83.04980	100.0
83.08613	24.3
84.08130	8.8
85.02886	18.5
86.09708	72.6
91.05477	10.5
93.07015	16.2
95.04968	10.7
95.08596	9.9
96.08130	11.1
97.02882	12.7
97.06518	7.9
99.04453	5.4
103.05445	5.3
105.06986	11.6
107.04936	16.9
107.08583	9.4
109.02868	5.9
109.10180	7.4
111.04474	5.6
115.05424	5.2
116.05864	5.4
117.06960	6.0
119.04934	4.8
121.06518	5.4
121.10090	5.7
122.03655	9.0
123.04368	7.1
125.05930	5.9
127.03913	6.1
129.06953	6.8
129.10121	4.9
130.06442	5.5
131.04907	18.3
131.08504	5.3
137.05966	81.0
139.03889	5.8
141.06938	6.0
143.08636	5.9
144.05640	4.4
145.06491	11.5
147.04442	7.0
151.03937	13.6
151.07503	9.1
153.05472	6.4
156.05630	11.1
159.08034	5.6
161.05939	8.8
163.07507	11.2
163.11171	10.9
167.07018	47.5
171.04346	5.1
173.05983	11.0
173.13139	4.4
175.07529	19.4
175.09625	16.7
177.05402	7.9
181.04958	7.0
183.06474	4.8
184.05190	5.3
187.07516	12.6
189.09158	9.3
190.06200	6.1
191.07147	6.9
192.10233	5.4
195.14822	5.0
202.06317	6.9
205.08580	13.0
209.15399	6.4
211.07474	6.8
215.07030	5.0
217.08595	41.4
219.10208	6.0
233.09413	4.9
240.13516	5.9
247.09669	16.8
249.09193	6.6
261.09000	9.9
265.09161	5.1
267.11353	6.0
271.11691	11.4
277.08560	6.3
279.06821	5.8
285.07510	17.0
293.08920	11.2
300.10025	8.5
321.11307	11.4
329.21368	4.9
339.09695	8.1
341.13776	7.6
345.14932	7.2
353.13702	14.0
371.14740	12.9
389.13098	8.6
389.17819	25.7
389.23544	14.6
404.10733	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	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.74281	3.3
55.01869	36.3
65.03942	9.3
65.23026	3.2
65.29834	3.4
67.05493	8.6
67.49246	3.3
69.03417	4.8
71.38750	7.6
79.05467	14.8
79.75748	3.2
81.07036	8.0
82.04185	3.5
85.02911	8.6
85.22915	3.7
91.05466	8.6
95.04947	9.8
97.06521	4.3
98.04149	4.0
102.53954	3.4
102.96444	3.2
103.05468	19.2
104.05751	4.4
105.07011	6.8
107.04928	12.7
110.03630	6.5
115.05434	5.7
117.07035	4.3
121.06472	6.6
122.03601	5.2
123.04357	9.7
123.07836	3.6
124.05195	4.4
125.06033	4.8
128.01360	3.7
129.07008	11.1
129.10275	3.4
131.04918	39.4
132.05278	10.7
133.06511	7.5
135.04340	4.8
137.05966	100.0
138.06291	28.7
139.03949	4.9
139.06522	6.6
143.04900	4.4
145.06474	8.8
147.04378	4.1
149.05913	12.2
150.06664	4.4
151.03853	24.7
151.07399	4.6
152.04257	9.8
153.05487	9.9
157.06522	7.7
161.05975	8.9
162.06303	4.9
163.03854	4.1
163.07533	10.3
165.05505	8.0
167.03375	3.7
167.07037	36.4
168.07463	4.3
171.06569	5.7
174.06677	3.8
175.07527	32.5
176.07906	4.9
177.05444	27.0
179.06938	8.1
180.07744	11.9
181.04955	92.7
181.08232	4.8
182.05315	12.6
187.07458	9.2
189.09053	11.5
191.06918	7.5
193.04999	4.3
193.08531	4.3
193.56195	3.3
195.10162	5.4
201.08977	4.9
204.07477	4.0
205.08713	6.4
207.06561	6.1
209.08060	45.1
217.08575	12.1
218.07271	3.9
219.06274	4.2
219.10150	8.7
228.30667	3.3
239.06970	10.6
241.08595	4.6
246.06749	3.3
248.08260	3.2
261.09094	6.2
277.08536	10.7
280.07059	3.6
285.07544	19.4
293.11664	5.2
300.09949	33.3
309.11044	4.2
321.10989	7.2
326.11502	5.2
339.12296	7.7
353.13867	8.3
359.14142	4.5
371.14899	15.6
389.16122	36.5
390.15848	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	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03939	1.4
55.01872	39.4
55.02139	2.3
55.05502	1.8
57.03429	1.0
59.80354	0.9
61.63757	1.0
65.03932	9.4
67.05519	4.8
67.05813	0.9
69.03422	1.4
69.07043	1.1
70.89372	3.3
71.04971	1.2
79.05479	3.8
82.04179	3.1
85.02903	8.2
86.34852	1.1
89.03936	1.2
91.04942	0.9
91.05475	5.3
93.03416	2.1
93.07045	2.3
94.04168	1.9
95.04982	5.7
95.08578	1.0
97.06526	2.9
103.05476	17.5
105.07021	2.4
107.04953	8.4
108.02081	2.4
108.05227	0.9
109.02858	1.1
109.06479	1.4
110.03643	5.0
111.04440	2.4
115.05459	1.9
117.07027	2.9
121.06506	6.3
122.03654	3.4
123.04466	4.6
124.05227	2.3
125.06001	3.9
128.06194	2.1
129.06998	8.3
129.50581	1.1
131.04926	19.4
131.08572	1.3
131.98674	1.0
133.06497	2.2
135.04387	1.9
137.05971	34.1
138.03094	3.2
138.06335	1.4
140.04672	1.3
141.07008	1.1
142.02620	2.6
144.05606	1.3
145.02829	1.2
145.06487	4.5
147.04358	1.2
148.05125	1.2
149.05980	12.0
151.03922	1.2
152.04686	2.3
153.05461	3.5
155.07060	2.0
157.06438	7.6
159.04413	2.2
159.11626	1.5
160.05188	3.6
161.06020	2.1
163.03850	2.0
163.07518	7.2
167.07057	24.3
168.07341	1.2
171.06549	6.4
173.06042	1.8
174.06790	3.3
175.07538	13.9
177.05476	39.9
179.07135	1.5
181.04956	100.0
182.05336	2.7
183.06538	1.9
187.07564	2.4
188.08307	1.2
189.09119	9.0
191.07085	1.5
205.08623	2.4
206.07237	1.4
209.08089	60.6
217.08624	6.8
219.08005	1.5
221.08020	1.6
234.06735	2.3
235.07588	1.6
235.09727	3.5
246.06708	1.1
247.07498	1.7
249.09033	1.9
261.09137	2.2
277.08588	8.2
279.10175	2.2
279.15701	1.1
293.11743	2.1
309.11285	2.8
311.13074	1.5
320.72415	1.0
321.11166	1.6
339.12228	8.9
341.13867	3.9
353.13992	1.4
359.14847	2.2
371.14874	8.9
389.15970	40.0
390.16187	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01869	10.7
57.03428	3.0
61.02913	4.1
68.99780	5.7
69.03430	30.4
69.92000	7.0
69.92417	3.1
71.04997	3.3
73.02909	5.2
80.49026	1.4
81.03413	18.2
85.02906	100.0
87.00829	17.6
87.37589	1.4
97.02889	18.8
98.21407	2.1
99.04456	18.9
101.02367	2.1
103.03922	1.7
103.68755	1.4
105.01865	10.2
105.07023	5.5
109.02872	31.8
127.03918	55.9
129.01817	8.0
145.04956	34.7
147.02892	5.2
151.84349	1.7
159.02879	6.7
171.02858	1.6
213.03937	3.4
231.04968	32.1
249.06021	15.8
292.11447	1.6
319.75043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
53.03938	2.7
55.05520	2.5
58.06594	9.0
67.05502	12.4
68.76438	2.8
69.03429	26.8
69.07058	4.8
70.06582	7.8
70.70853	10.2
71.04981	2.7
72.08176	2.6
79.05494	5.2
81.03414	9.7
81.07047	19.6
83.04983	7.2
85.02898	100.0
85.06555	3.7
86.09697	12.5
88.03995	3.7
91.05482	5.9
93.07052	7.8
95.04959	4.4
95.08602	27.3
97.02874	16.3
97.06512	2.8
99.04470	8.5
103.05453	3.3
105.07020	10.6
107.08592	11.9
109.02880	5.6
109.06479	5.5
109.10151	35.3
111.04429	4.7
119.08569	15.2
121.10151	11.5
123.08064	12.3
123.11699	98.7
123.12562	5.7
124.12013	2.9
125.06008	19.8
127.03924	18.5
131.08536	4.5
133.10063	3.0
134.39731	2.6
137.05910	4.9
139.07585	2.7
145.04939	5.4
145.10136	8.9
147.07967	4.6
147.11693	19.0
149.09613	18.1
151.07533	14.7
159.08110	3.4
163.11133	5.9
165.12732	5.0
167.10660	2.7
171.11673	4.6
181.61417	2.5
189.12730	22.6
207.13818	79.2
225.14862	31.9
251.09148	3.4
319.88815	2.6
333.16974	18.0
351.18011	32.3
369.18997	12.9
387.16046	2.9
387.20163	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.43415	0.9
53.03939	2.0
55.01871	1.9
55.05490	2.2
57.03422	3.7
58.06598	8.8
61.02903	2.5
67.05493	3.6
69.03085	1.6
69.03426	24.0
69.07060	3.0
70.06599	5.0
70.59450	3.9
71.04975	3.3
72.08154	7.5
73.02905	2.5
76.03970	1.0
79.05470	3.2
81.03412	7.5
81.07049	11.6
83.01304	1.0
83.04972	1.3
84.04492	2.2
84.08126	2.5
85.02899	100.0
85.06514	0.9
86.09689	16.2
87.04477	1.4
91.05460	3.7
93.07032	3.4
95.04952	2.6
95.08603	5.9
97.02888	9.6
97.06528	1.1
99.04443	4.5
103.47275	0.9
105.07022	7.5
107.08595	4.9
109.02879	2.6
109.06508	2.7
109.10147	13.6
111.04438	1.3
117.07026	1.5
119.08585	7.0
121.06510	3.9
121.10121	5.9
123.08062	4.5
123.11697	57.1
124.12055	1.4
125.05987	46.4
127.03918	7.7
129.06958	1.8
129.10233	2.2
131.08548	4.1
133.06464	1.2
133.10127	4.2
135.08089	1.7
135.11688	1.8
137.05959	5.8
137.09654	1.3
139.07535	7.4
145.04936	2.4
145.10107	3.3
147.08041	2.3
147.11691	7.2
149.09583	5.7
151.03922	1.2
151.07542	8.8
161.05988	1.3
161.09578	1.5
161.13255	3.1
163.11198	3.6
165.09093	1.9
165.12732	2.1
167.07040	7.1
167.10669	1.0
171.11679	1.5
173.05963	1.3
177.07759	1.2
179.14439	1.1
181.04930	2.4
181.08640	1.1
181.12212	1.4
187.79053	1.0
189.12740	11.1
191.07001	1.7
191.08736	1.2
192.10172	4.6
201.05449	1.1
207.13788	53.0
208.14117	2.3
223.07533	1.1
225.14844	74.3
226.15131	2.1
265.08643	1.1
333.16809	6.5
351.18024	9.6
356.15186	1.5
361.94217	1.0
369.13870	1.7
369.19098	3.8
387.15329	2.8
387.20105	51.4
388.20297	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	387.18
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
50.28263	0.9
52.27539	1.0
52.87907	0.8
53.03948	3.6
55.01868	1.3
65.03924	1.5
70.45721	0.9
70.85734	2.0
70.86110	2.1
78.04707	1.9
79.05492	12.0
81.03432	0.9
81.07053	2.0
91.05484	14.2
93.07039	10.7
94.04159	1.6
95.04952	6.4
97.06545	1.7
98.03480	1.0
102.60858	0.9
103.05481	6.3
103.89789	0.9
105.04507	1.3
105.07036	3.8
106.04179	1.7
107.04951	30.5
110.03592	1.5
115.05460	2.8
117.07034	3.5
119.04948	2.4
120.05700	1.4
121.06506	12.8
122.03646	2.8
123.04428	5.9
124.05212	6.5
125.05977	4.5
128.06248	2.2
129.06940	1.0
130.07777	3.2
131.04976	1.3
135.08054	1.4
137.05966	24.3
138.06763	2.0
139.07469	1.1
143.08536	6.5
145.06488	3.7
145.10120	14.0
147.04411	2.1
148.05209	1.3
149.06004	4.5
151.03899	4.2
152.04683	2.5
155.08543	5.5
158.07256	19.1
159.07962	2.2
161.05978	1.8
163.07574	1.9
166.06244	10.5
167.07031	86.6
168.07372	4.9
173.06003	2.8
173.09615	24.4
175.07564	1.4
181.05162	5.1
181.08586	100.0
182.08919	2.3
186.06731	3.4
187.07489	1.1
193.08553	1.4
195.10136	7.2
201.09099	48.1
202.09464	1.2
203.07048	1.8
205.08603	1.3
218.09338	3.3
233.11713	37.3
266.83005	1.1
329.10007	1.1
345.12674	1.8
355.15329	1.9
357.13376	3.4
373.40692	1.1
387.13538	6.3
387.18799	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	387.1799
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03925	1.4
55.01854	1.3
67.05490	1.8
69.07072	0.7
70.38242	3.1
74.53046	0.7
77.03059	0.7
78.04707	1.7
78.60519	0.7
79.05486	13.3
81.03402	1.0
81.07051	2.4
83.72941	0.8
91.05473	12.8
93.07039	13.6
93.95725	0.7
95.04989	4.1
95.08584	1.3
97.06485	0.8
98.39157	0.7
103.05458	4.8
105.07011	3.2
105.83248	0.7
106.04225	0.7
106.88846	0.7
107.04945	29.9
107.08576	0.8
109.06492	0.8
109.10181	1.2
115.05412	1.6
117.06987	2.8
119.04950	2.8
119.08534	1.0
120.05705	3.1
121.05637	1.0
121.06496	15.5
122.03647	1.2
123.04413	3.7
123.11686	0.9
124.05200	5.9
125.05964	4.0
128.06192	2.4
129.06987	1.2
130.07796	3.9
131.04944	1.2
131.08537	1.0
133.02814	1.5
137.05972	3.2
138.06747	2.4
139.07568	1.4
141.06931	1.0
143.08566	5.8
145.06480	1.2
145.10115	15.3
147.04340	1.1
148.05150	1.7
149.05989	3.7
151.03882	3.0
152.04675	3.3
155.08517	5.2
157.06517	1.2
158.06064	1.4
158.07269	16.3
159.07883	1.2
163.07491	1.1
166.06256	11.4
167.07031	69.9
168.07362	1.1
169.06403	0.8
171.08026	1.4
172.08855	0.8
173.09605	28.8
174.09952	1.0
175.07469	1.3
181.08582	100.0
182.08965	1.7
183.09227	1.3
186.06754	3.9
189.09036	1.3
195.10130	6.9
201.09097	49.1
202.09576	1.1
218.09361	2.3
233.11702	35.6
315.08270	0.7
355.15308	1.2
358.13809	0.8
387.18073	7.2
387.28818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	0.7
65.03916	1.3
70.69968	1.8
70.70319	0.9
77.03906	1.2
77.88500	0.8
78.04698	1.4
79.05063	0.8
79.05494	14.2
81.07063	1.5
87.44466	0.6
91.04962	1.2
91.05477	12.9
92.07384	0.5
92.66743	0.6
93.07036	9.7
94.04216	0.7
95.04971	4.4
97.84534	0.6
103.05465	5.6
105.03387	0.9
105.04583	0.8
105.07061	3.3
106.04147	1.0
107.04951	31.1
111.04477	0.7
115.05457	1.7
117.07006	2.8
119.04916	2.8
120.05699	2.4
121.06512	15.3
122.03679	1.1
123.04420	4.3
124.05210	7.1
125.05985	4.2
125.90282	0.7
128.06218	2.7
129.06998	1.9
130.07774	4.8
131.04919	1.6
133.02858	1.4
133.06487	0.7
135.08041	1.6
137.05980	2.2
138.06735	2.5
139.07518	1.1
143.08574	7.6
145.06441	1.7
145.10118	17.1
146.10429	0.7
147.04381	1.0
148.05203	1.7
149.06013	4.2
151.03889	2.7
152.04652	2.4
153.05482	0.7
153.07056	1.1
155.08565	5.3
158.07278	18.2
159.07878	1.3
166.06262	11.1
167.07039	79.3
168.07376	2.3
171.08044	1.1
172.08745	1.0
173.09622	33.8
174.10005	1.6
175.07463	1.2
181.08589	100.0
182.08907	2.7
183.09238	0.7
186.06726	3.9
189.09058	1.8
193.08601	2.2
195.10156	8.4
201.09102	52.3
202.09447	2.3
203.07051	0.9
214.87981	0.6
218.09309	3.0
233.11729	38.7
234.12138	1.4
258.13303	0.7
327.11633	0.7
329.09811	0.7
344.12531	1.1
355.15503	1.8
387.18124	7.3
388.18524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62389	1.9
53.03927	3.0
58.89183	1.6
69.84543	11.1
79.05495	19.2
81.07050	3.6
91.05470	16.4
92.06309	1.9
93.07061	12.7
95.04955	6.2
95.08620	1.8
102.30674	1.5
103.05463	5.9
105.07030	2.9
107.04954	31.6
109.06583	1.9
117.07047	2.3
119.04975	2.7
120.05724	3.1
121.06508	17.7
123.04436	4.9
124.05207	8.2
125.05986	4.7
128.06165	2.0
129.07037	2.6
130.07774	6.8
131.08507	1.7
137.05952	5.0
143.08569	6.5
145.10101	16.4
148.05154	2.0
149.06004	4.7
151.03867	4.0
152.04634	3.2
152.39996	1.9
155.08542	4.8
157.06435	1.8
158.07263	22.0
166.06235	11.5
167.07039	82.8
168.07344	2.5
171.08118	1.7
173.09618	30.7
173.10986	2.4
177.41820	1.7
181.08582	100.0
186.06812	4.3
195.10214	8.8
201.09091	54.4
218.09372	2.5
233.11713	43.8
234.12170	2.6
251.49336	1.9
387.18179	8.2
387.25009	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	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05498	3.1
66.63690	2.6
67.05481	2.2
71.33501	2.6
71.63747	6.0
75.05569	3.5
75.38675	2.2
78.04683	2.8
79.05496	14.4
81.07048	5.5
84.08142	3.0
87.13388	2.3
89.25450	2.8
91.05461	10.9
93.07065	6.4
95.04982	6.6
95.08633	3.4
97.06531	14.6
103.05441	6.9
105.07047	17.6
106.04146	4.3
107.04957	62.9
111.95134	2.6
115.05445	11.2
116.86845	2.7
117.06989	5.2
121.06510	7.0
122.03638	7.2
130.07785	2.6
133.06514	13.8
135.08061	15.0
137.05972	88.0
143.08601	2.5
145.06485	7.2
145.10098	3.3
148.05190	3.0
149.05998	5.8
151.03867	6.0
154.06248	4.7
158.07315	4.1
161.05991	13.4
163.07500	24.6
167.07043	69.7
168.07405	3.5
168.16106	2.9
173.06024	6.1
173.09634	8.2
175.07481	2.7
180.07826	3.5
181.05000	22.6
181.08554	24.5
187.07588	3.0
189.09319	2.3
191.07040	4.7
193.08632	21.3
195.08334	5.4
195.10168	100.0
196.10555	4.5
199.11221	2.8
201.09103	11.7
203.07056	4.4
205.08623	3.6
231.09950	2.5
233.11737	9.5
235.87653	2.6
241.08511	4.8
355.15549	2.8
357.13275	9.1
386.19092	2.7
387.14041	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01854	0.7
56.43732	0.6
57.03434	1.1
66.04719	1.0
70.07897	0.5
71.13792	1.0
71.14117	1.1
79.05482	7.6
90.04657	1.2
91.05487	5.9
93.07009	1.6
95.04944	2.2
103.05461	8.9
104.06256	0.8
105.07024	19.6
107.04950	2.2
109.02866	1.2
109.06490	1.9
115.05436	2.1
117.95337	0.7
118.04159	18.2
119.04952	3.4
120.05752	1.2
121.06453	4.4
122.07289	2.6
124.05206	8.1
131.04906	2.1
133.05473	1.3
133.06485	27.5
134.07231	3.2
135.04398	2.1
135.08040	4.7
137.05983	3.1
147.04434	1.0
148.05182	0.9
149.05981	2.3
150.05641	1.3
150.06750	11.1
151.07552	3.7
155.78265	0.8
161.05963	5.2
163.07541	1.0
165.09100	16.2
167.07080	0.9
177.05450	3.4
178.06166	1.1
179.07010	1.5
181.08633	1.1
193.08600	100.0
194.09300	13.1
209.08125	1.5
327.99579	0.8
341.64767	0.7
387.26691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07060	3.0
70.77950	8.8
79.05488	10.7
81.07043	2.2
85.02910	2.6
91.05472	5.2
95.04957	3.3
95.08602	3.5
103.05482	13.5
105.07011	22.1
107.04949	29.4
115.05451	3.8
117.06995	4.2
121.06511	3.8
128.06277	4.3
133.06482	10.0
135.08054	42.9
137.06026	2.5
143.08551	6.7
145.06467	3.0
145.10097	3.3
147.08018	2.4
151.03955	3.1
152.04660	5.1
161.05974	2.7
163.07547	19.8
165.05472	39.8
167.07013	8.8
171.08020	3.8
175.11240	2.4
175.24634	2.6
178.06204	4.6
179.07027	9.2
181.08571	7.3
190.55638	2.5
191.07127	4.7
193.08595	100.0
194.09036	5.5
195.10165	15.3
201.09128	3.0
203.10739	8.2
219.10176	2.9
233.11749	8.7
235.13268	8.4
325.36609	4.1
386.39969	14.4
387.17551	3.8
387.40265	11.6
393.53317	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	387.1435
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.02385	0.2
51.15596	0.2
55.01851	0.2
58.46399	0.2
65.03936	0.9
65.04224	0.2
66.04701	0.3
67.05486	0.4
69.03426	0.2
71.10439	0.3
71.10786	0.3
79.05497	1.0
81.07046	0.6
82.04172	0.2
85.02900	0.4
86.09725	0.2
91.05444	1.0
93.03416	0.2
94.04184	2.7
95.04931	0.4
97.06503	0.4
103.05463	0.4
105.07051	0.2
107.04943	0.8
108.02106	0.3
109.06477	0.2
110.03677	0.5
111.04457	0.3
112.21848	0.2
115.05457	1.7
115.57621	0.2
117.07007	1.5
119.08583	0.3
122.03646	7.8
123.04401	0.6
124.05189	0.2
125.05960	0.3
127.05521	0.2
129.07082	0.2
131.04955	0.3
135.04337	0.2
137.05969	100.0
138.03067	0.2
138.06319	1.2
142.02580	0.3
143.04929	3.2
145.06471	2.5
147.08078	0.4
151.03914	2.3
151.05064	0.3
153.05466	0.4
155.06055	0.7
161.05995	0.3
167.07034	10.8
168.07413	0.2
171.06531	0.6
173.05983	3.5
175.07561	0.9
181.04951	12.0
187.07549	0.2
189.05475	0.2
203.07008	1.9
205.08574	1.9
207.10144	0.2
216.64977	0.1
219.08049	0.2
221.08029	0.4
233.08041	1.1
235.09634	1.8
247.07350	0.2
263.06738	0.2
265.08731	0.2
293.08081	0.2
357.13321	12.7
358.13766	0.4
369.13467	0.3
387.14371	26.0
388.14600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
65.03923	0.7
67.05493	0.7
70.05985	1.9
79.05470	1.1
85.02901	0.8
91.05486	0.9
91.97623	0.4
93.03387	0.4
94.04175	2.0
95.05013	0.8
103.05469	2.1
105.06970	0.5
107.04958	1.3
115.05454	1.5
117.06998	1.3
118.04185	0.5
122.03649	7.2
125.05977	0.4
131.04913	1.4
133.06471	0.4
134.57935	0.4
137.05972	100.0
138.06332	0.9
143.04878	2.3
145.06490	1.8
147.08076	0.7
148.05193	1.6
151.03909	5.6
151.05009	0.6
155.06018	1.1
161.05913	0.4
163.07521	1.8
167.07036	10.4
171.06532	0.7
173.05997	3.1
175.07544	0.7
181.04951	15.5
181.08487	0.7
191.07010	5.9
193.08627	0.5
203.07077	2.1
205.08566	2.5
233.08052	1.1
235.09702	2.8
351.12161	0.5
355.11194	0.3
357.13318	14.9
387.14365	28.3
388.14615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1436
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03927	0.4
55.01867	0.6
63.29473	0.2
63.30337	0.3
65.03933	0.9
67.05505	0.7
70.69400	1.0
74.55021	0.3
79.05480	1.1
81.03407	0.4
81.07049	0.4
82.04201	0.4
85.02883	0.8
91.05464	0.9
94.04177	2.7
95.04954	0.7
97.06513	0.6
103.05486	2.1
105.03385	0.3
107.04955	0.8
110.03638	0.5
111.04453	0.3
115.05440	1.9
117.07020	1.5
121.78587	0.2
122.03648	8.0
123.04408	0.7
125.05981	0.5
131.04933	1.8
133.06476	0.6
137.05972	100.0
138.03149	0.4
138.06317	1.5
142.02618	0.5
143.04922	2.7
145.06474	2.4
145.77382	0.3
146.06911	0.3
148.05179	1.0
151.03908	6.2
151.05022	0.5
153.05508	0.4
155.06155	0.4
161.05963	0.4
163.07561	1.9
165.05507	0.3
167.07048	9.8
168.07330	0.4
171.04372	0.4
171.06593	0.6
173.05978	2.7
175.07530	1.1
181.04958	15.9
191.07031	6.0
203.07025	1.6
205.06760	0.4
205.08566	2.2
221.08072	0.5
233.08076	0.9
235.09581	2.9
243.09506	0.3
307.09647	0.3
355.11676	0.4
357.13312	13.4
358.13748	0.4
387.14380	26.7
388.14655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79436	1.5
53.03922	2.8
54.28491	1.8
55.01865	3.6
67.05511	2.1
69.03413	2.0
69.82319	13.0
79.05483	9.2
81.07079	2.6
89.47110	1.6
91.05474	10.3
93.07030	5.3
95.04954	5.4
103.05479	11.6
105.07014	26.2
107.04957	35.4
107.08595	1.9
115.05435	6.8
117.07027	2.9
117.38052	1.6
118.04092	1.9
119.04931	3.9
119.08580	4.2
121.06481	12.2
128.06204	8.8
129.07021	2.9
131.04942	2.1
133.05482	2.1
133.06480	35.3
133.10088	1.9
134.03575	2.8
135.08051	34.1
137.05988	5.4
143.04913	2.7
143.08536	18.0
145.06476	2.4
145.10121	4.3
146.07213	2.8
147.04384	1.9
147.08037	3.1
148.05180	2.9
149.05988	4.1
152.04753	4.0
160.05241	2.1
160.08855	2.1
161.05972	13.9
163.03880	5.1
163.07562	21.8
164.04758	2.0
165.05470	48.5
165.95799	1.7
167.07030	18.2
171.08041	11.7
173.05949	2.2
174.06729	1.8
175.07552	5.7
175.11171	10.1
176.04671	23.7
177.05476	4.7
177.09090	1.8
178.06271	9.1
179.07037	34.9
181.08636	11.4
188.08282	4.8
189.05443	3.7
189.11223	1.8
190.06084	1.7
191.07011	25.1
192.07706	2.2
193.08597	100.0
194.09013	4.8
195.10164	42.4
202.23656	1.6
203.10666	21.4
205.08644	3.4
206.09320	1.8
207.10196	3.4
211.61066	1.7
218.09317	10.2
219.10014	3.4
220.10861	5.1
233.11707	24.8
235.13278	39.1
272.67773	2.1
293.12000	1.9
355.15097	2.1
386.40100	4.1
387.17838	6.8
387.40167	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	387.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	2.0
69.03433	1.3
70.06585	5.3
71.64244	1.1
71.70947	1.0
72.08132	1.6
81.03394	1.1
84.04478	1.2
85.02879	3.5
86.09663	1.9
88.02176	1.2
91.05482	1.2
97.02833	2.3
104.13445	1.3
115.68195	1.1
123.04381	1.3
125.02332	1.5
126.77140	1.0
131.01907	1.5
137.05963	1.2
139.03799	1.1
142.47083	1.1
165.69833	1.2
167.03377	2.3
167.06989	1.1
185.04271	1.5
225.03700	30.0
264.06326	1.3
289.06992	1.1
325.08838	4.9
329.06964	1.8
343.08633	1.4
369.07925	15.8
387.08932	100.0
387.16559	4.1
388.09238	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	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03951	0.4
55.01864	0.4
58.63818	0.2
65.03938	1.2
66.04729	0.3
67.05491	0.8
69.03422	0.6
70.39577	0.8
79.05505	1.2
81.07035	0.5
85.02884	0.7
89.77238	0.2
90.37958	0.2
91.05492	1.5
94.04182	3.3
95.04964	0.7
95.08601	0.3
97.06525	1.0
103.05497	0.5
105.07039	0.5
107.04953	0.9
110.03655	0.3
111.32244	0.2
115.05470	1.5
116.59836	0.3
117.07035	1.8
121.02810	0.3
122.03643	8.5
123.04407	0.6
125.06015	0.5
129.06955	0.3
131.04887	0.5
133.10103	0.2
135.04353	0.4
137.05975	100.0
138.03149	0.4
138.06326	1.6
143.04939	2.8
145.06458	2.3
151.03903	1.9
151.04990	0.3
153.05457	0.6
155.06004	0.5
158.37566	0.2
161.06033	0.6
163.07538	0.3
167.07037	10.1
168.07263	0.3
171.04411	0.3
171.06584	0.5
173.06000	2.7
175.07553	1.0
177.05446	0.3
181.04956	12.4
181.08496	0.5
189.05458	0.3
191.06989	0.5
202.05003	0.4
203.07013	1.0
205.08575	2.2
215.07016	0.3
221.08063	0.3
233.08125	0.9
234.07559	0.9
235.07498	0.3
235.09605	2.0
253.08623	0.3
263.07053	0.3
297.11227	0.3
313.10623	0.3
325.10690	1.0
329.13864	0.4
337.11188	0.4
357.13324	14.6
358.13516	0.7
387.14371	24.9
388.14871	0.6
407.52475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01863	3.8
55.05521	8.7
57.03436	3.5
57.07067	13.0
58.20760	1.2
61.02929	2.2
65.03951	1.9
67.05502	4.9
69.03427	5.7
70.06590	3.3
71.05003	2.8
71.63554	2.0
72.08157	2.7
73.06542	1.7
74.97202	1.3
79.05499	7.7
80.05815	1.6
81.03413	3.0
81.07072	6.5
83.04974	2.5
83.08616	3.6
84.08140	2.6
85.02905	20.6
86.09689	2.0
87.04466	2.6
89.06033	69.8
91.03960	1.8
91.05462	6.3
93.07046	4.1
95.04975	4.8
95.08613	4.7
97.02887	10.3
97.06550	2.8
99.04472	1.7
100.07623	2.7
101.09663	11.6
103.05465	2.2
105.07047	8.1
106.04160	1.5
107.04948	7.4
107.07060	2.9
107.08600	3.9
108.05273	1.4
109.02885	3.5
109.06499	2.6
109.10142	1.9
117.06985	3.2
119.08598	5.0
121.06529	2.7
121.10149	3.7
123.08082	3.0
125.06068	1.3
126.84389	1.5
127.03939	5.0
128.07037	3.2
130.08641	1.4
131.04958	1.6
131.08551	2.9
133.06465	3.7
133.08615	21.0
133.10080	1.7
135.08070	2.2
135.11646	1.6
137.05992	10.0
143.08659	1.7
145.04988	2.8
145.06459	1.8
145.10188	2.7
145.12236	12.9
147.11700	6.6
149.05972	3.7
149.09631	2.1
151.03905	6.8
151.07642	3.4
151.09660	31.4
151.10909	1.7
161.05975	2.6
162.06557	1.3
163.11070	2.1
165.12766	4.2
167.07043	22.8
168.07376	8.8
175.07494	2.2
177.05455	4.9
181.04958	9.8
181.08598	3.1
187.07506	1.7
191.07103	2.0
193.08566	1.4
205.08630	1.4
207.13911	10.4
207.15904	100.0
208.16324	1.9
215.06958	1.6
224.13684	1.9
225.14792	4.3
228.77798	1.5
231.10252	1.9
232.10570	3.8
234.10010	2.6
235.07492	2.5
253.09790	1.8
261.08871	1.5
262.09763	1.7
268.06870	2.1
279.09845	3.2
281.09128	2.2
283.09174	3.9
294.08826	1.2
294.12152	4.3
307.09174	2.6
308.09903	1.8
309.08588	3.4
322.11499	1.7
325.10477	1.4
326.14636	2.5
343.11771	1.6
344.11972	7.1
350.14716	2.1
354.14182	5.5
355.09219	3.0
357.13516	1.7
368.15601	4.5
386.16782	17.7
386.25201	2.0
387.14587	3.8
387.20145	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01865	4.2
56.05022	14.7
56.96559	3.3
57.03441	18.3
58.06589	12.7
59.04981	5.2
60.04492	8.0
61.02928	8.5
63.55947	3.2
63.79659	3.2
67.05477	3.4
69.03082	4.1
69.03427	77.9
69.07048	5.1
70.06583	22.6
70.23388	7.7
70.23801	11.1
71.04996	4.1
72.08145	7.1
73.02913	4.8
74.06078	44.8
75.96612	4.2
79.05516	6.7
81.03404	10.3
81.07050	6.0
84.04490	3.8
84.08125	7.6
85.02422	6.7
85.02905	100.0
86.09690	10.5
87.04472	49.3
88.03990	5.4
89.17755	3.3
91.05469	11.0
95.04945	3.9
96.73509	3.2
97.02893	70.2
98.97552	3.5
99.04475	4.7
103.03980	3.7
105.07032	4.7
107.04944	8.2
107.08588	3.5
109.02870	8.2
115.03165	4.8
115.03934	67.7
119.04940	3.4
121.06474	4.4
122.02364	8.5
123.04395	7.7
123.11650	4.2
127.03913	25.2
129.10196	3.7
131.08664	3.5
133.04958	78.3
133.10164	4.2
136.06183	3.8
137.05978	7.4
145.04953	34.6
145.06470	5.7
145.10094	4.5
147.04416	5.4
149.05981	7.3
149.08366	4.1
149.09616	4.0
150.07591	7.4
151.03815	4.0
151.07542	5.5
161.06068	3.8
162.09070	4.2
163.06059	16.6
163.11182	9.1
167.07028	23.6
177.05429	6.5
181.04971	3.5
202.06778	9.1
203.07558	4.3
204.20706	3.4
206.08073	5.5
207.13618	3.8
222.04500	5.2
225.14815	4.2
261.86392	4.1
386.15991	22.5
386.21634	24.9
387.16257	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	386.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69429	2.4
53.03927	4.9
53.41311	3.5
55.01871	7.5
55.05494	7.6
56.05040	3.4
57.03435	4.3
58.06591	4.4
58.99577	10.8
61.01158	3.2
67.05499	14.8
67.78015	2.8
69.03436	11.8
69.07076	4.3
70.02941	4.9
70.06592	13.5
71.04992	18.1
71.54663	3.6
71.55000	5.0
72.08155	6.3
73.02912	5.2
74.06081	21.3
76.02225	19.6
79.05493	14.1
81.03461	4.1
81.07056	30.9
83.04966	4.7
84.08130	6.7
85.01136	10.5
85.02908	8.9
85.06526	4.3
86.09715	6.3
86.99054	4.5
88.02212	17.5
88.03982	41.7
91.05475	39.2
93.07028	28.9
95.04969	7.4
95.08591	14.2
97.01101	17.5
97.02873	3.9
97.06524	7.2
99.04463	5.7
99.08113	3.2
103.05451	4.6
105.00092	5.1
105.07030	81.2
106.07375	3.8
107.04963	6.8
107.08579	33.1
109.02877	9.9
109.06496	7.3
111.02702	6.7
111.08060	5.1
113.00587	3.6
115.05432	4.2
115.57518	3.4
117.07030	18.8
118.65530	3.3
119.04906	5.8
119.08573	33.2
121.06495	11.5
121.10144	10.0
122.02745	41.5
123.04442	3.9
123.08047	9.8
125.04179	4.1
125.09615	7.5
127.03910	6.0
128.01697	4.1
128.06195	6.3
129.06993	18.7
130.03261	4.5
130.07811	4.7
131.08556	43.4
132.08955	3.9
133.10121	33.3
135.02640	5.6
135.08055	13.2
137.05983	46.2
138.06334	29.2
139.05664	5.2
141.07007	6.1
142.07788	13.2
143.08537	26.1
145.06461	4.8
145.10124	67.7
147.02661	3.4
147.04495	3.9
147.08055	8.1
147.11687	61.9
149.04218	6.7
149.05975	6.2
149.09612	6.3
151.05971	3.7
151.07497	7.0
151.11198	4.6
153.07086	4.0
155.08575	10.2
156.09369	6.2
157.10144	27.2
159.08098	13.8
159.11737	21.8
161.04254	4.0
161.05969	4.0
161.09663	8.6
163.03870	4.2
163.06062	10.5
163.07516	6.0
164.07071	3.3
165.07401	4.0
167.05267	4.1
167.07048	9.0
168.09343	7.3
169.10161	5.0
171.08064	4.7
171.11653	18.3
173.05962	4.8
173.09584	6.0
173.13272	23.3
175.05759	11.2
175.07564	5.1
175.11153	36.0
175.14986	3.1
176.06989	4.0
177.05577	3.2
177.07312	3.4
177.09099	6.7
179.07062	17.0
180.07393	21.5
183.11653	23.2
185.13303	13.0
187.11186	11.2
189.07361	3.2
189.09099	7.8
189.12675	3.9
191.10663	5.6
193.06848	4.0
193.12291	3.4
194.04559	3.7
199.11270	9.9
201.12740	75.2
201.14500	6.0
203.14432	4.2
205.10480	14.6
207.13774	11.5
211.11316	4.3
215.08878	12.3
217.12260	10.8
219.13820	12.4
229.12247	30.9
233.10007	14.7
247.13292	11.3
251.10960	32.4
261.09430	6.6
265.14157	5.1
269.11945	3.7
279.10486	18.5
297.11572	100.0
298.11661	4.5
312.11783	3.4
322.14719	16.3
340.15820	44.5
351.12610	6.9
368.09662	3.5
368.15262	6.3
369.13705	14.0
386.16391	75.7
386.21680	12.2
387.16574	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	386.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.93908	2.4
55.01856	3.5
55.05507	4.4
58.99586	5.6
60.52549	2.7
61.02911	2.4
67.05496	12.9
69.03423	19.0
69.07056	5.5
69.57121	5.7
69.57526	17.6
70.02955	5.5
70.06590	6.7
71.04984	8.0
72.08127	3.8
73.02897	3.5
74.00658	3.2
76.02216	11.3
79.05494	16.6
81.03423	6.0
81.07048	24.6
82.09698	2.3
83.04992	4.2
84.08137	5.0
85.01116	8.4
85.02904	19.5
85.06556	5.3
86.00647	3.4
86.09706	7.7
88.02214	12.4
88.03989	82.1
91.05463	25.4
93.07034	20.0
95.04978	6.7
95.08608	10.0
97.01081	7.5
97.02895	15.1
97.06539	5.5
98.21464	5.8
99.04445	3.2
105.07026	65.6
106.07365	3.0
107.04964	9.6
107.08603	17.5
108.01752	2.8
109.06512	5.4
109.10148	6.1
111.04430	4.3
111.84571	2.6
115.05439	5.3
116.06243	3.5
117.07016	15.8
119.08573	25.5
121.06514	6.0
121.10145	7.8
122.02757	15.9
123.08072	8.3
123.11676	7.9
125.00600	3.6
127.03915	3.9
128.06204	14.5
129.07040	15.4
131.08582	44.7
133.06480	4.5
133.07481	2.9
133.10121	23.7
135.08041	6.1
137.05920	13.1
141.06967	8.1
142.07796	23.2
143.08563	39.8
144.09372	8.7
145.06483	10.3
145.10127	30.5
147.02629	2.9
147.08015	3.4
147.11658	15.6
149.04262	7.4
149.09573	5.0
153.06961	4.6
155.08580	17.8
156.09306	8.4
157.10127	49.8
158.10863	4.6
159.08087	12.3
159.11693	28.8
161.04181	14.9
161.09674	3.7
161.13188	3.3
163.05783	4.8
163.11121	3.8
165.07115	3.6
166.07788	3.2
167.07066	29.9
167.08472	4.6
168.07376	9.2
168.09360	23.2
169.10120	8.4
170.10976	3.4
171.11713	10.8
173.04260	3.8
173.05959	5.3
173.09578	6.1
173.13257	20.5
175.05830	3.7
175.11171	30.7
175.14816	3.9
181.10139	6.2
182.10944	6.0
183.11681	57.5
184.12326	3.6
185.09760	4.5
185.13258	100.0
186.05016	3.8
187.07553	5.2
187.11183	14.4
189.09134	4.1
189.12746	3.1
199.11237	8.7
200.06520	4.4
201.12755	41.3
203.10791	4.4
203.14337	11.3
205.10506	3.9
205.12251	3.2
207.13763	16.5
208.14157	3.8
211.05444	2.7
211.11227	9.7
215.08868	23.5
217.10362	7.8
217.12305	12.1
218.04768	5.4
219.08066	3.3
219.13808	5.4
224.13614	4.3
229.12219	83.0
230.12747	5.3
233.09911	11.8
235.11533	4.3
236.07906	3.3
247.13255	28.8
250.10083	3.4
251.10947	5.3
260.63422	2.8
261.09525	6.0
263.11014	5.9
265.14331	6.9
279.10477	24.2
280.10721	4.0
283.09183	5.0
287.11227	3.6
294.12088	3.6
297.11441	10.6
304.13495	5.6
311.08728	3.7
322.11340	3.6
322.14798	7.3
329.09781	3.8
340.15759	6.3
344.12149	9.4
349.93448	2.7
350.14111	5.5
351.12567	6.1
354.14175	8.5
368.15335	16.6
369.13623	6.4
386.16003	38.4
386.29004	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	385.2735
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
50.31491	3.8
50.45466	5.2
55.05501	15.0
57.07047	7.2
67.05500	27.7
69.07068	100.0
71.04988	5.5
71.24802	10.2
79.05488	22.2
81.07051	43.4
82.00332	4.0
83.08625	10.2
85.06528	13.1
91.05466	23.6
93.07043	57.5
95.04982	5.1
95.08599	84.8
105.07030	61.8
107.08579	47.8
109.10191	22.0
111.08051	8.8
117.07009	9.7
119.08579	37.1
121.10131	29.0
123.08038	5.0
123.11684	9.1
129.06979	13.5
131.08586	32.4
133.10120	43.3
135.11687	39.4
139.07521	18.0
143.08534	14.2
144.09280	5.0
145.10104	25.2
145.11066	4.6
147.11678	23.3
149.13242	19.9
155.08562	14.5
157.10110	28.1
159.11693	66.1
161.13242	36.5
163.14835	15.8
169.10132	13.5
171.11678	21.3
173.13255	23.5
175.11168	10.5
175.14742	11.6
177.12761	26.1
179.14287	10.6
183.11684	17.2
185.13203	15.9
187.14844	15.8
189.12733	13.4
191.14299	7.3
195.11671	6.5
197.13263	17.0
199.14784	18.6
201.16484	7.9
205.12265	7.0
207.13763	9.3
209.13228	16.1
211.14780	14.4
213.16386	18.5
215.18011	7.2
215.32260	4.1
223.14803	14.2
225.16351	17.1
227.17941	11.4
229.19431	5.6
237.16380	6.8
239.17944	15.4
241.19554	6.2
253.19431	23.2
254.20279	10.7
255.21034	5.9
265.19467	22.7
271.20517	35.1
279.21048	8.1
281.22592	12.7
283.20557	13.8
295.24545	5.0
299.20035	10.9
311.20145	12.2
317.20935	6.4
321.25766	35.7
323.27426	7.7
329.21036	6.3
339.26764	52.1
343.26434	6.2
349.25067	10.7
367.26334	44.3
385.27347	99.6
386.27728	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	386.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
58.06602	4.8
61.19712	1.0
63.17501	1.0
64.00352	0.9
69.01762	0.9
70.06579	2.9
70.10738	5.1
81.03395	1.0
81.07030	1.3
84.08130	1.7
85.02892	1.9
86.09698	3.5
91.05462	1.7
97.02869	2.7
97.06542	1.0
105.07026	1.7
107.08553	1.5
109.02802	1.4
121.10194	1.3
129.10172	1.1
131.08559	1.4
133.10046	1.6
137.05945	3.7
151.03932	1.8
157.10175	1.4
163.11156	1.3
167.07018	4.7
168.07413	1.9
176.11656	1.0
183.11581	1.9
190.08565	1.2
191.07140	1.0
207.06738	1.9
207.13797	1.7
208.07661	1.6
214.08531	1.8
218.06021	1.1
220.07497	2.1
222.05489	2.9
223.06248	2.8
224.07065	1.5
226.04977	1.1
229.12148	1.4
234.05611	1.0
235.06224	3.3
236.07047	8.2
237.07814	5.6
238.04974	1.5
238.08591	1.7
239.05791	1.7
240.06480	1.8
241.07025	1.1
245.18465	1.0
246.05263	1.6
247.06317	2.4
248.07036	3.0
250.04953	3.6
250.08615	3.8
251.05713	6.2
252.06487	4.2
253.07272	1.9
254.04370	1.1
254.08171	4.6
256.09650	5.1
263.05725	1.9
264.06506	10.4
265.07297	13.5
266.04697	2.2
266.08060	7.8
267.05249	5.8
267.08572	1.0
268.06079	2.8
276.06512	3.6
278.04416	3.3
278.08029	4.0
279.05255	2.7
280.06042	12.8
280.09653	22.2
281.06842	9.1
282.07599	13.2
284.09183	8.8
289.07504	1.2
290.07904	1.0
291.05243	1.2
292.06012	5.4
293.06870	4.7
293.10281	1.2
294.04327	1.0
294.07599	22.1
295.04678	3.0
295.08243	2.8
296.05637	2.5
296.09082	13.5
298.10800	2.8
304.05701	1.2
306.03979	2.6
306.07550	9.9
308.05481	6.2
308.09140	7.4
309.06253	4.9
309.09891	5.9
310.07129	38.8
310.10599	4.8
311.07645	2.9
312.08679	23.6
313.09146	1.8
317.06607	1.6
318.07477	1.3
319.08401	2.7
320.05804	1.3
321.06241	1.9
322.07074	5.6
324.04810	1.8
324.08585	27.2
324.12286	7.2
325.09366	11.7
326.10217	28.3
327.10840	5.2
334.07019	2.7
335.07788	10.2
336.08643	10.4
338.06592	57.6
339.06873	3.3
340.11807	28.4
342.13351	54.7
343.13705	1.5
350.10287	5.5
353.08911	16.0
354.09634	1.8
368.11295	100.0
369.11478	5.8
386.12222	33.8
386.16159	2.7
387.12399	2.2
387.19891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.1
61.63844	3.2
62.81420	3.1
67.05508	23.8
69.07067	100.0
70.84493	9.7
70.84859	4.4
77.97501	3.1
79.05502	23.8
79.91740	3.7
81.07051	57.6
83.08618	11.0
83.90997	3.5
85.06536	15.3
91.05482	29.6
93.07040	66.2
95.08601	60.1
97.06515	5.7
97.10150	6.6
98.20809	4.0
99.08087	3.6
105.07026	89.3
107.08590	59.7
109.10150	24.9
117.07005	13.0
119.08576	68.8
121.06513	6.9
121.10144	34.7
123.11663	10.9
129.06998	5.5
131.08546	33.8
133.06509	5.5
133.10124	56.3
135.08015	4.6
135.11690	33.4
137.09624	5.2
139.07535	30.0
141.06969	5.5
142.07788	7.6
143.08542	18.7
144.09302	4.3
145.10109	26.0
147.08015	4.6
147.11670	22.2
149.13231	14.4
151.07561	11.3
151.11168	4.5
155.08556	12.0
157.10100	30.1
158.10753	4.0
159.11691	78.9
161.09676	4.4
161.13251	63.2
163.14830	27.6
169.10120	17.0
171.11688	18.7
173.13295	17.6
175.11205	4.3
175.14725	5.0
177.12747	44.9
179.14330	11.3
181.10043	5.4
182.10767	3.3
183.11711	12.5
185.13223	10.9
187.14807	9.1
189.12761	8.2
195.11691	10.9
197.13223	20.6
199.14819	13.5
201.16397	7.3
205.12279	5.0
207.13861	6.3
209.13252	9.9
211.14790	11.3
213.16374	15.2
215.17903	5.4
223.14862	7.5
225.16373	15.4
227.17842	8.6
229.15955	4.2
237.16460	4.2
239.18027	12.4
243.13953	4.1
251.17924	9.9
252.18726	4.8
253.19533	15.6
257.15286	4.7
265.19479	20.2
271.20599	22.5
279.21155	4.6
281.22614	13.8
283.20468	16.9
297.18967	5.0
297.22537	5.1
299.19974	18.2
311.20111	8.3
317.21127	23.6
321.25745	53.7
339.26822	89.8
340.27127	5.5
349.25311	6.0
357.27798	5.8
367.26343	52.5
368.26495	3.6
385.27322	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	385.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.9
55.05499	16.4
58.03852	4.4
65.03932	4.8
67.05499	28.0
69.07059	89.1
70.19336	19.8
71.08645	7.3
79.05480	25.4
81.07051	75.8
83.04966	4.3
83.08616	10.2
85.06537	10.5
91.05480	39.2
93.07040	65.1
95.04981	4.7
95.08599	60.3
97.06544	7.2
97.10158	5.4
101.09433	4.8
105.07018	100.0
107.04955	4.7
107.08575	70.0
109.06530	9.0
109.10155	39.5
111.08056	5.0
117.07011	10.0
119.08564	99.2
121.06515	5.6
121.10133	53.2
123.11715	11.0
124.07412	4.3
129.07024	9.7
131.08571	37.5
133.06467	6.4
133.10114	58.8
134.82097	3.8
135.08072	8.7
135.11719	31.3
139.07515	13.4
142.07733	8.4
143.08583	19.0
144.09331	4.5
145.10077	41.1
147.11703	31.1
149.09558	4.1
149.13237	32.5
151.07564	9.8
154.07800	4.4
155.08534	13.3
156.09346	4.9
157.10139	30.7
159.11693	81.1
161.09543	5.5
161.13239	92.5
163.14819	28.2
169.10120	17.4
170.10857	4.5
170.24771	4.2
171.11700	15.6
173.13219	26.4
175.11169	10.2
175.14867	16.7
177.12718	38.0
179.14334	10.7
181.10051	6.0
183.11708	12.8
185.13290	19.3
187.14813	13.8
189.12766	11.1
189.16362	10.0
195.11732	13.3
197.13205	14.7
199.14810	13.4
201.12749	4.9
201.16458	12.1
202.20946	4.2
207.13824	12.6
209.13208	11.7
210.14061	6.2
211.14795	16.5
213.16484	12.6
215.14345	4.8
223.14830	4.5
225.16438	19.0
227.17981	8.6
229.15924	4.5
231.13814	4.9
237.16388	10.0
239.18031	9.6
241.15799	5.0
241.19373	7.0
250.53807	4.1
251.18054	10.7
253.19504	14.3
255.21039	11.1
265.19510	21.8
267.21124	5.0
271.20334	7.2
279.21017	6.5
281.22580	15.1
283.20486	15.4
311.20087	9.4
311.27213	5.5
321.25787	53.4
322.26025	6.6
323.27408	11.6
323.90094	4.6
339.26797	79.4
340.26852	4.8
341.28397	5.6
349.25253	4.8
353.13861	6.2
357.27536	7.2
362.11151	4.3
367.26349	47.9
385.16238	5.4
385.27371	80.8
386.27621	4.6
395.24203	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	385.2735
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
53.93231	2.6
55.05505	13.6
57.07058	8.9
58.98221	3.3
62.19173	3.0
67.05501	26.1
69.07065	50.2
69.60698	8.0
69.61111	12.7
71.04984	5.3
79.05484	23.0
81.07054	50.4
82.78549	2.6
83.04980	4.1
83.08610	7.7
84.51998	2.8
85.06532	21.5
91.05466	23.4
93.07040	62.8
95.04952	4.6
95.08599	56.7
97.06511	4.5
97.10143	6.4
99.08093	6.4
105.06384	4.7
105.07031	61.9
107.04997	3.4
107.08591	60.4
109.06504	3.7
109.10162	25.5
111.08089	5.1
117.07006	12.3
119.08575	44.0
121.06471	6.0
121.10143	39.3
123.11710	11.4
125.05953	3.3
129.06998	10.2
131.08554	37.3
133.10123	50.9
135.08044	3.7
135.11674	36.0
137.09564	3.5
137.30241	2.7
139.07509	8.1
141.06992	4.2
142.07794	5.3
143.08583	19.9
143.09511	2.6
144.09328	6.7
145.10120	24.2
147.08083	3.1
147.11674	27.6
149.09668	6.1
149.13251	25.5
151.11192	3.6
155.08543	16.1
156.09363	5.2
157.10126	28.6
159.11687	99.7
161.09610	3.3
161.13246	37.7
163.14806	19.7
167.08499	4.3
168.09383	3.7
169.10127	15.8
171.11627	21.3
173.13277	20.4
175.11252	8.9
175.14896	8.9
177.12752	37.8
179.14311	15.4
181.10133	7.2
183.11772	15.1
185.09547	3.6
185.13283	16.6
187.14822	10.7
189.12732	34.3
189.16423	6.8
190.13438	3.9
191.14307	11.5
195.11745	8.8
197.13278	17.7
199.14783	18.7
201.12869	3.4
201.16394	13.2
205.12271	2.8
207.13826	13.0
209.13243	12.2
210.28543	3.1
211.14833	20.0
213.16365	12.2
215.14293	3.9
215.17947	3.6
221.13438	3.2
223.14803	11.8
225.16344	18.4
225.51849	3.0
227.17870	8.9
231.17459	4.6
233.58379	3.1
237.16437	8.7
239.17957	12.3
240.18509	5.1
241.19475	5.1
251.18066	7.7
253.19527	21.8
255.21204	3.5
257.15378	4.8
257.18839	3.1
265.19604	13.1
267.21176	5.6
269.18933	3.3
271.17947	4.1
271.20471	20.3
272.02536	3.2
272.05630	3.1
279.21066	8.4
281.22604	22.6
283.20602	11.2
293.23853	5.0
297.22043	3.6
297.25473	3.0
299.20053	5.0
311.20087	7.7
321.25806	34.4
322.25858	3.5
323.27365	6.9
327.23239	7.9
339.26819	68.8
341.28461	8.0
349.25256	9.7
357.27844	4.0
367.26300	55.0
368.26544	4.4
368.83020	3.0
385.16815	3.8
385.27368	100.0
386.27615	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	2.2
55.01875	7.2
55.05503	17.7
57.03424	2.5
57.07067	7.1
61.78542	2.1
63.94469	2.1
67.05499	28.7
67.29579	2.1
69.03422	8.2
69.07061	17.6
71.04987	3.8
71.08622	14.5
71.65800	3.6
79.05487	30.4
81.03417	2.5
81.07055	36.2
83.04977	7.3
83.08620	8.4
84.03623	2.5
85.06542	7.7
86.03669	2.0
91.05465	20.5
93.07043	39.8
95.04974	16.2
95.08604	26.7
96.05727	4.1
97.02895	13.9
97.06538	15.3
97.10130	3.5
99.04465	4.6
99.08093	10.2
105.07026	24.3
107.04958	19.9
107.08595	15.9
109.06504	17.0
109.10143	11.2
111.04439	18.5
111.08118	5.6
113.06013	5.7
117.07018	8.9
119.08583	13.5
121.06498	18.9
121.10151	14.6
123.04415	11.2
123.08068	10.6
123.11677	2.6
124.05201	7.8
125.05988	8.9
129.07014	5.4
131.08548	16.7
133.06471	5.5
133.10094	8.8
135.08041	9.0
135.11708	3.2
137.05980	3.3
137.09616	6.1
141.26630	2.2
143.08548	7.0
145.10150	5.0
147.08064	4.8
147.11691	4.6
149.02400	3.5
149.09662	13.6
151.07523	2.7
151.11185	7.8
152.04765	2.5
153.12804	2.8
155.08632	3.7
157.10103	4.7
159.11684	6.0
161.05957	4.8
161.13213	5.1
163.11171	5.8
165.05475	6.6
165.12749	19.8
167.07028	45.4
167.08386	3.2
167.10648	5.5
170.07303	5.2
170.59784	2.1
171.08025	2.4
171.11641	3.9
173.13214	4.1
175.11145	4.1
177.12715	3.1
181.08806	5.0
181.12219	100.0
182.12558	3.2
185.13208	3.4
189.12802	2.9
191.14359	2.6
193.08594	21.1
193.12199	2.8
201.09062	2.4
205.10356	3.6
207.08040	3.2
207.13860	4.1
213.12718	2.5
219.08035	2.4
231.10156	11.2
232.08760	2.6
233.09668	6.9
233.11818	2.6
235.07608	5.5
248.08304	2.5
250.09949	3.3
261.09085	5.6
263.07114	7.4
265.12320	4.0
267.06512	5.4
277.08670	3.8
278.09409	9.2
279.10144	3.7
282.08920	7.1
289.21631	18.4
293.11765	10.9
293.21078	23.5
294.12509	2.4
295.09647	5.0
295.18930	2.9
305.21121	17.4
310.08661	2.9
311.12631	4.3
312.96124	2.2
313.10690	6.8
315.08829	4.4
321.11276	7.1
325.14221	4.4
328.12958	5.5
329.10220	3.0
333.24158	2.7
339.11981	3.6
343.11832	16.4
351.25266	70.5
352.25662	5.9
353.13727	15.3
354.14529	5.6
367.25018	6.6
385.16406	35.1
385.24075	7.2
386.16644	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	385.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05489	1.1
61.52425	0.7
67.05510	1.3
70.91367	1.8
78.04694	2.1
79.05491	15.5
81.03400	1.0
81.07045	3.6
87.20419	1.0
90.89167	0.9
91.05466	4.4
93.07053	2.1
94.04202	1.4
95.04939	4.1
97.06538	1.8
105.07018	1.4
106.04150	1.5
107.04942	30.8
107.08632	1.6
109.06511	1.9
117.07040	0.9
121.06506	3.4
122.03678	1.0
123.04404	4.6
124.05180	6.2
125.05994	3.2
128.06219	1.4
129.06985	1.3
137.05989	1.0
141.06981	2.3
142.07794	1.8
147.04417	1.5
151.03862	1.5
152.04694	3.6
153.01822	6.1
161.05983	2.1
163.03819	0.9
165.06992	1.6
167.07025	100.0
168.05843	0.9
168.07397	2.4
170.07262	13.6
171.02968	1.5
171.07954	1.9
173.05986	2.0
179.03485	1.3
179.07089	1.4
179.08545	1.9
181.06479	1.1
181.08569	6.5
187.07559	1.2
188.08372	1.2
189.07039	1.2
190.07733	1.5
193.12186	1.3
194.07227	1.0
198.06779	3.2
199.07567	1.5
202.07846	1.1
203.08551	1.7
203.10684	1.2
207.08064	3.9
208.05267	2.4
211.07434	0.8
211.11310	0.9
214.07716	1.0
215.08600	1.7
216.07784	6.6
218.07281	3.6
219.08063	3.8
220.08908	2.2
221.06128	4.0
221.09642	2.7
222.10393	2.7
231.08054	2.0
231.10129	33.7
232.08844	3.7
232.10832	1.3
233.09543	10.1
233.11693	1.1
234.10258	1.6
234.44743	0.9
234.98576	1.0
235.07521	7.7
235.11195	1.5
236.07924	1.4
238.06183	1.6
239.07130	3.9
247.07599	2.7
247.11157	2.4
248.08374	2.6
249.05507	1.5
249.09135	4.9
250.09885	7.6
251.10556	1.7
252.07677	1.0
253.08572	1.0
259.07651	0.9
260.08389	2.4
261.09094	9.6
262.09836	1.9
263.07019	6.6
263.10712	3.2
264.07834	2.6
265.08658	1.4
265.12262	5.0
267.06525	6.2
267.10068	1.4
269.08133	2.9
271.09650	3.0
275.10715	1.9
277.08591	5.4
278.09375	13.5
279.10080	6.2
280.07370	1.9
281.08255	1.6
281.11359	0.8
282.08875	12.6
283.09595	0.9
285.07739	1.3
285.11212	0.9
289.08670	1.0
291.06802	1.3
291.10165	1.5
292.07333	1.3
292.10754	1.8
293.08267	1.8
293.11630	19.2
293.14642	1.2
294.12427	2.3
295.09677	6.7
296.10397	1.9
299.09174	2.0
305.07962	1.6
306.08902	4.4
307.09515	4.2
308.06863	1.4
309.07709	1.9
309.11069	1.9
310.08365	7.4
310.12021	4.9
315.08591	6.4
320.10492	1.0
321.11200	11.1
322.11984	1.1
323.09076	5.1
324.09976	1.9
325.10611	1.3
325.14404	9.9
327.08514	1.8
328.09354	4.6
329.10330	1.0
330.10974	6.5
331.11786	1.6
335.12686	1.3
338.11542	4.7
339.12332	3.8
341.10190	2.0
342.10971	1.4
343.11713	22.4
344.12167	1.6
353.13788	27.8
354.14456	6.1
355.11795	3.2
357.13266	2.9
367.22623	1.0
370.13983	4.5
385.12970	3.5
385.16522	55.7
385.23502	6.8
386.16891	3.3
398.51978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
54.05655	0.8
55.01863	2.6
57.03412	1.3
65.03902	1.6
67.05488	1.8
69.03421	1.2
69.07063	1.4
69.46784	7.4
71.67050	0.6
78.04691	0.7
79.05097	0.7
79.05497	6.5
81.07040	4.7
83.08616	0.8
85.02882	2.0
91.05484	3.7
93.07024	1.9
94.04160	0.8
95.04943	2.2
95.08597	1.5
97.06502	1.6
97.22947	0.7
98.21518	1.5
103.05417	0.9
105.07017	1.6
107.04947	9.8
107.08557	1.1
110.03651	1.6
111.04411	2.6
115.05452	2.0
117.07015	1.7
119.08487	0.8
121.02885	1.0
121.06477	2.4
123.04390	1.6
124.05171	2.7
125.05953	4.0
128.06262	1.0
129.07018	1.1
131.04907	1.7
137.05942	1.6
141.06982	1.4
141.82681	0.7
145.06448	1.5
147.08057	0.9
149.02361	0.8
151.03851	1.8
152.04602	0.8
152.06143	0.9
153.01797	4.7
153.05396	2.5
153.06937	1.5
157.06496	0.9
158.07260	1.0
159.07961	1.4
161.05937	2.2
165.05627	1.1
165.06950	4.9
166.07700	1.3
167.07054	32.1
167.08411	1.7
168.05681	0.9
169.06357	1.1
170.07259	4.4
171.02919	1.1
171.07967	1.0
173.05920	1.4
177.06966	0.9
177.09129	0.7
178.07785	3.8
179.03345	1.2
179.08527	3.4
181.04988	1.1
181.06454	3.3
181.08598	1.5
181.10126	0.9
182.07175	1.3
183.08002	2.0
185.05917	1.2
187.07558	1.1
188.15889	0.9
189.06979	2.7
190.07748	2.4
191.07016	0.9
191.08514	3.6
192.05663	0.7
193.06467	1.6
193.10194	0.8
193.12201	2.6
194.07213	2.8
195.08073	3.8
196.08728	1.1
198.06778	1.3
199.07578	1.3
201.05455	1.0
202.07858	1.7
203.08510	1.9
205.06407	2.8
205.10199	1.0
206.07149	2.0
206.59138	0.7
207.08049	6.1
208.08784	2.4
209.05978	1.2
209.09550	1.7
210.06659	1.4
211.07523	3.7
213.09146	1.1
215.08617	1.1
216.07756	0.9
217.04865	1.5
218.07310	4.9
219.08092	5.0
220.08688	1.8
221.05981	5.3
221.09546	2.4
222.06729	4.6
222.10204	1.8
223.07584	4.5
224.08238	2.7
225.09035	2.8
227.06964	1.7
227.14336	0.7
231.07941	2.2
231.10092	8.3
232.08774	2.6
233.05811	1.3
233.09654	5.5
234.06711	3.3
235.07523	10.1
236.08319	4.0
237.05417	1.6
237.09108	3.6
238.06097	1.6
239.06972	3.9
239.10645	1.0
240.07838	1.2
241.08707	0.8
246.06738	2.3
247.07562	4.3
247.11179	1.1
248.08321	3.4
249.05415	2.0
249.09186	4.3
250.06186	2.1
250.09872	4.1
251.07042	5.3
251.10542	2.4
252.07716	2.7
253.08577	4.3
254.05669	1.1
254.09286	1.5
255.06598	1.2
259.07370	1.2
260.08310	1.4
261.05634	1.2
261.09061	4.3
262.06210	1.0
262.09927	0.8
263.06955	6.8
263.10608	1.6
264.07779	6.2
265.08551	5.5
265.12064	2.0
266.05679	1.0
266.09241	1.2
267.06586	5.0
267.09927	4.4
269.08112	1.7
271.09689	1.7
274.06201	1.4
275.06958	1.9
275.10349	1.0
276.07666	1.5
277.08606	5.9
278.09308	6.5
279.06662	2.0
279.10086	8.4
280.07230	1.8
281.08102	5.5
281.10794	0.9
282.08871	9.2
283.09555	2.4
289.08566	1.5
291.10266	1.0
292.07315	1.5
292.10492	0.8
293.08084	2.1
293.11627	8.7
294.08871	1.5
295.06454	1.4
295.09631	6.8
296.10226	1.2
297.11169	2.1
299.09180	1.3
305.07843	1.0
306.08856	1.9
307.09634	26.5
308.10187	1.8
309.07571	1.3
309.11096	2.7
310.08237	5.9
310.11597	1.3
311.08902	1.5
313.10593	1.9
315.08511	2.2
321.11212	4.5
323.09137	7.6
324.09714	1.6
325.10587	5.7
325.14264	3.3
328.09381	2.5
329.13626	2.6
330.10880	2.4
337.10510	1.8
338.11316	2.0
339.12335	3.5
343.08044	1.0
343.11810	13.5
353.10150	1.4
353.13913	7.9
354.14514	1.1
355.11691	2.4
357.13123	2.8
367.11652	2.2
367.23022	0.9
370.14133	1.3
385.12631	100.0
385.16452	10.0
385.23041	5.0
386.13132	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05503	2.0
58.06586	3.4
59.04998	2.7
67.05494	2.5
69.03409	4.2
69.07039	1.3
70.06592	6.1
70.48071	1.1
71.04987	1.9
71.64096	1.6
72.08147	3.4
76.80918	1.1
78.04723	1.4
79.05126	1.3
79.05500	14.6
81.03408	2.0
81.07039	4.0
83.04955	2.8
84.08146	1.9
85.02902	4.3
86.09708	3.9
88.03979	3.7
91.05483	6.9
93.07034	4.8
95.04953	3.1
95.08588	1.3
97.02872	2.4
97.06520	2.5
99.04449	1.5
99.45147	1.1
103.05489	1.2
105.07074	5.5
105.07664	1.2
107.04953	28.9
107.08575	3.4
109.06504	1.7
111.08144	1.3
115.05435	2.1
115.60212	1.1
117.07005	1.9
119.08604	2.7
121.06506	3.1
121.10181	1.5
123.04410	4.0
124.05228	6.0
125.05979	2.6
125.09613	1.2
125.50925	1.1
127.03886	2.0
128.06232	1.8
129.06976	1.8
131.04892	1.6
131.08569	3.5
133.06474	1.5
133.10143	2.7
135.08061	2.1
135.11717	1.3
137.05995	4.3
141.06976	1.7
142.07790	2.9
143.08566	3.5
145.06448	1.8
145.10104	2.9
147.07990	2.0
147.11697	2.6
148.07718	1.2
149.05959	2.0
151.03905	3.2
152.04691	3.5
155.08571	2.0
157.10112	2.0
159.08025	2.0
159.11708	1.8
161.06001	2.9
163.11179	1.9
165.05534	1.9
165.07024	2.4
165.12747	1.1
167.07043	100.0
168.07362	3.0
170.07272	9.4
171.11647	1.7
173.13229	1.1
175.11067	2.1
179.08562	2.1
181.04980	1.6
181.08580	6.6
181.10045	1.5
183.11693	4.9
185.13235	6.2
187.07593	2.0
187.11122	2.2
189.07043	2.0
193.06612	2.9
193.08531	2.7
195.08047	1.1
198.06783	1.4
199.11185	1.5
201.05496	7.6
201.12732	1.8
202.07837	1.3
203.08691	2.2
205.10228	1.9
205.12094	2.8
207.08075	5.2
211.07541	2.0
215.08763	1.9
216.07814	4.2
218.07275	3.8
219.08058	3.0
220.08806	1.5
221.05975	9.3
221.09602	2.4
222.10284	2.3
223.13322	3.6
229.12283	5.4
231.08093	2.4
231.10143	14.9
232.08781	3.1
233.09616	14.6
234.10083	1.5
235.07564	9.8
236.08275	3.1
238.06316	2.4
239.06978	3.7
246.06818	1.9
247.07462	1.6
247.11099	1.7
247.13327	1.4
248.08310	3.4
249.05455	3.1
249.09099	4.9
250.09850	8.6
251.06996	1.5
251.10670	2.4
252.07764	1.4
253.08461	1.7
254.05629	1.4
254.09248	1.2
260.08325	2.7
261.09091	11.3
262.09796	2.2
263.07037	9.7
263.10739	2.2
264.07745	4.5
265.08722	2.8
265.12244	4.6
266.05994	1.3
267.06540	13.8
267.10193	2.2
269.08121	3.3
271.09760	1.8
275.10657	3.3
277.08585	5.3
278.09311	15.3
279.10159	9.1
280.07339	2.9
280.10864	2.3
281.08063	2.7
282.08871	29.2
282.11969	1.2
283.09338	2.4
288.32922	1.4
289.08426	2.8
291.09897	1.4
292.10928	1.6
293.08652	1.2
293.11722	22.7
294.12494	1.3
295.09634	8.7
296.10477	2.3
297.11386	1.9
299.09274	1.6
299.17923	1.2
306.08871	4.4
307.09622	3.8
307.13031	1.5
309.11172	1.5
310.08334	13.2
310.11942	7.7
311.12494	1.8
315.08530	5.8
321.11215	11.0
322.11258	1.8
323.09140	4.6
324.09744	1.9
325.07248	1.4
325.14349	13.0
328.09393	12.9
330.10962	9.6
337.10828	1.6
338.11514	1.6
339.12045	5.5
341.10150	2.8
342.10825	1.5
343.11731	52.6
344.12170	3.6
353.09912	2.5
353.13892	29.6
354.14346	3.7
355.11710	3.5
357.13306	4.6
368.15302	2.5
370.14069	5.4
385.16504	60.3
386.16595	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	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.73350	0.9
54.87896	1.1
55.01878	5.8
56.96561	1.4
57.03437	1.4
61.02925	1.9
66.93188	1.1
69.03420	2.2
70.06596	3.8
70.44861	4.5
74.64900	1.2
79.05495	7.6
81.03428	1.2
83.01325	2.2
84.08147	1.3
84.23044	1.0
85.02905	4.1
91.05493	5.6
95.01321	2.0
95.04961	5.8
97.02914	3.3
98.97576	1.7
103.05453	8.3
105.07026	62.0
106.07352	1.7
107.04982	1.8
109.32381	1.0
115.03942	1.9
115.05441	16.1
117.07031	4.5
118.04169	5.5
119.04905	1.5
120.10077	0.9
123.04401	7.6
127.03925	3.0
129.07042	1.2
131.04942	4.7
132.05722	2.1
133.06490	63.4
134.06819	1.4
136.06195	2.7
139.03929	1.6
140.04672	2.2
141.00433	1.1
141.06908	1.2
143.05988	2.8
145.06467	7.7
147.04404	2.9
147.08078	1.6
151.03885	2.5
155.07086	3.1
157.06517	2.3
159.08122	1.4
160.05148	2.2
161.05972	100.0
162.06386	3.0
163.07613	1.5
167.07033	28.2
167.08412	1.7
170.07146	1.1
173.05962	3.3
175.03912	3.2
175.06082	2.2
175.07535	3.5
178.06088	1.2
179.07066	2.0
181.04846	2.3
183.06544	3.6
186.03108	1.1
189.05515	3.4
190.02513	1.3
190.06258	3.2
191.06950	3.6
192.07849	1.8
193.08595	71.7
194.08990	1.6
201.05447	3.8
203.07072	1.7
205.08597	5.4
206.09215	1.3
207.06529	10.1
213.05540	2.2
217.08577	1.2
218.05711	1.7
219.06506	4.5
220.07246	1.8
221.08156	2.6
229.05042	3.5
231.06516	7.6
233.04420	5.5
233.08109	3.4
235.09694	2.4
245.08110	2.2
247.05959	1.5
249.07582	3.2
251.09142	25.6
252.07257	2.6
253.07632	4.4
257.07932	1.4
259.06070	1.5
261.07562	13.2
263.09247	3.9
271.05869	1.2
275.09164	3.9
277.07224	1.8
279.08780	1.5
289.07123	1.7
293.10175	3.7
301.07019	1.3
307.08151	4.7
319.08096	1.3
367.10132	2.2
385.11237	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.05489	3.5
56.05029	4.5
56.45593	2.1
57.03431	2.3
58.32532	1.9
59.04975	2.3
59.77584	2.7
60.35924	2.0
61.03449	2.1
67.05502	5.2
69.03420	5.2
69.07059	8.1
70.06582	9.8
71.00372	5.2
71.00719	3.5
71.04978	16.1
72.08159	4.9
74.06082	19.4
74.93258	2.0
79.05484	10.8
79.28273	2.1
81.03411	4.3
81.06587	3.8
81.07056	53.7
83.04992	2.8
83.06111	4.7
83.08628	2.9
84.08141	4.7
85.02900	17.8
86.09734	2.4
91.05474	3.3
93.07024	2.4
95.04964	3.6
95.06081	6.4
95.08624	4.1
97.02900	9.0
97.06513	6.3
99.04459	3.5
99.08067	2.6
105.07003	5.5
107.04936	2.2
107.08591	11.1
109.06522	3.1
109.10168	10.6
110.07163	31.3
111.11700	3.6
113.07076	2.2
120.08096	3.2
123.11739	16.9
127.03891	2.3
129.10213	3.1
137.05981	5.3
139.11160	9.6
145.04950	3.4
151.11169	25.5
153.05441	2.5
153.31070	2.2
156.07661	2.7
157.12282	12.1
163.03883	4.6
166.08629	2.7
167.07019	3.6
169.12244	32.4
179.06998	3.3
187.13301	100.0
193.08600	2.5
205.14311	3.2
293.18280	2.3
298.23468	2.2
338.20654	12.6
349.18729	4.1
361.51254	2.3
384.16217	4.0
384.21176	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.0
67.05509	23.6
69.07066	100.0
69.56583	4.2
69.83300	22.9
70.29423	3.9
79.05487	22.1
81.07055	45.7
83.04984	5.3
83.08628	17.2
85.06536	16.1
91.05489	33.1
93.07045	74.4
95.04970	4.6
95.08605	68.6
96.96220	3.6
97.06541	8.0
105.07038	62.2
107.08594	50.8
108.35162	4.2
109.06484	6.1
109.10160	26.1
111.08040	4.1
117.07021	14.4
119.08582	50.5
121.06480	5.1
121.10149	28.5
123.11691	4.3
128.06241	8.9
129.07016	17.8
131.08565	37.2
133.10141	35.4
135.11679	13.0
139.07536	16.5
141.06947	7.5
142.07785	12.0
143.08540	29.8
145.10132	39.8
147.11674	22.9
149.05952	4.0
149.13264	10.4
155.08554	29.1
156.09320	6.9
157.10121	45.0
158.11040	4.3
159.11713	43.7
161.09616	6.9
161.13287	16.4
165.06999	5.1
167.08633	7.0
168.09306	6.6
169.10153	27.3
171.11682	30.0
173.09622	7.0
173.13277	29.5
174.14136	6.0
175.11234	21.2
175.14798	10.2
177.12766	5.3
181.10078	19.8
182.10986	4.8
183.11685	26.4
185.09702	4.6
185.13303	22.0
187.14850	11.3
189.12709	9.3
193.10159	9.9
195.11703	23.4
197.13263	31.8
198.14000	11.3
199.11208	7.3
199.14766	20.5
201.12767	11.9
201.16423	7.2
202.13512	6.2
203.10643	6.0
203.14384	5.0
206.10992	3.9
207.11749	15.8
207.13707	4.7
209.13277	29.0
210.13948	4.0
211.14813	25.2
212.15564	12.1
213.12787	6.8
213.16403	24.8
215.14442	4.9
221.13216	11.0
223.14857	29.1
224.15575	4.4
225.16396	17.2
227.14413	7.1
227.17946	15.4
229.12206	20.4
237.16409	25.5
239.17978	13.6
240.18857	5.3
241.15848	6.6
241.19493	6.7
242.20290	13.4
243.13762	4.1
249.16422	5.8
251.17960	18.7
252.18678	26.7
253.19508	20.2
255.17447	11.1
263.17963	12.0
265.19467	6.9
267.17368	4.6
267.21088	7.8
269.19000	40.3
270.19748	54.0
271.20447	7.2
277.19507	10.4
279.21207	27.8
281.19107	8.7
281.22522	8.4
295.24118	5.5
297.18552	9.0
309.18716	6.0
309.25726	5.8
315.19653	6.4
319.24335	21.8
321.06451	4.2
321.25778	12.0
325.21704	12.5
337.25262	46.2
339.26740	12.6
341.24847	6.2
347.23819	7.5
365.24826	41.6
383.25790	67.0
384.25836	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	384.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.9
63.99332	0.6
64.63428	0.8
66.90553	0.7
68.99764	0.9
70.06554	0.8
71.63271	1.0
84.08110	0.9
86.09676	1.2
90.21500	0.7
97.02831	1.1
102.13663	0.8
105.06900	1.0
114.09132	1.2
120.08052	1.2
137.02301	1.6
147.73543	0.8
181.05174	1.1
198.94858	0.8
209.04694	4.3
210.05453	1.2
211.06189	1.6
213.04227	1.6
220.03914	1.1
222.05495	2.1
223.06157	1.1
224.03435	0.9
225.04228	3.4
226.04999	2.5
237.04207	10.4
238.04817	3.8
239.05722	3.8
240.06389	1.2
241.03671	2.8
241.07277	1.3
243.05257	1.2
249.04187	1.2
250.05040	5.4
251.05734	1.7
252.06560	2.3
253.03708	3.2
254.08170	0.9
259.04800	0.8
264.06543	2.1
265.03653	18.7
266.04324	5.9
267.05258	3.2
268.06015	5.3
273.02631	2.0
276.02902	1.1
276.05847	0.8
277.03656	2.0
278.04453	4.4
279.05270	5.5
280.06027	16.5
282.07553	2.3
291.05087	0.7
292.05978	1.6
293.03156	48.6
294.03702	4.3
295.04758	5.8
296.05466	1.4
306.03903	1.9
307.04718	10.0
308.05515	54.7
309.05814	2.5
310.07336	1.2
311.04156	5.3
312.08453	2.0
321.06229	2.1
322.03433	1.5
322.07074	28.2
323.04214	79.5
324.04834	9.2
325.05597	2.1
334.03296	1.4
335.04080	1.5
336.05002	48.7
337.05249	2.1
338.06561	100.0
339.06931	4.3
340.08142	62.7
341.08432	2.5
351.03693	2.9
366.06076	27.1
384.07117	41.1
384.21933	1.6
385.07248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Apo-12'-capsorubinal
Peak:m/z	Relative Intensity
55.05501	14.7
67.05486	24.0
69.07068	39.8
70.84686	9.7
70.85048	8.5
71.04990	7.9
79.05471	18.7
81.07033	52.9
83.08617	6.6
85.06548	35.1
85.66855	4.3
91.05476	26.0
93.07027	51.4
95.04959	5.0
95.08604	52.6
97.06480	5.4
99.08109	5.4
105.07019	75.3
107.08575	35.2
109.10133	29.4
110.95085	4.9
113.09593	6.1
117.06991	12.4
119.08594	47.2
121.06506	4.4
121.10133	36.6
123.11695	12.8
124.38690	4.6
128.06200	7.6
129.07025	9.2
131.08554	30.3
133.06535	5.4
133.10127	34.4
135.07965	6.6
135.11681	23.9
137.09627	6.6
141.06984	7.6
142.07803	7.7
143.08553	32.3
144.09358	5.0
145.06488	5.2
145.10103	33.2
147.08018	6.0
147.11691	28.1
149.09651	5.6
149.13277	9.9
151.07538	5.1
155.08553	18.1
157.10124	36.0
159.08075	7.6
159.11687	36.6
161.09607	6.3
161.13255	25.3
167.08521	5.6
169.10127	20.4
170.10838	6.4
171.11690	31.7
173.13266	16.0
175.11134	25.1
175.14746	14.5
177.12726	14.3
179.08485	6.4
181.10106	19.7
182.10930	5.2
183.11624	24.1
185.13260	15.5
187.11191	10.6
187.14787	8.7
189.12746	30.5
191.14281	7.0
193.10043	5.4
195.11667	20.7
196.12366	5.7
197.09509	4.7
197.13211	29.4
199.14752	21.7
201.12715	10.7
201.16333	6.4
205.12209	5.0
207.11790	10.4
207.13704	10.2
208.12439	7.0
209.13217	32.3
211.11438	5.9
211.14772	23.1
213.16411	16.7
215.14314	5.9
215.18077	4.7
221.13252	9.7
223.14801	45.8
224.15076	6.5
225.16341	19.2
227.14330	6.8
227.18013	5.6
229.12135	7.1
229.15883	6.6
235.14789	10.2
237.16350	29.2
239.14178	9.0
239.17931	16.6
243.17482	5.6
249.16281	6.1
251.17979	12.3
253.15866	7.7
253.19568	9.7
255.17598	5.8
263.17950	15.6
265.19611	9.1
267.17474	7.6
269.15268	5.9
269.18964	4.7
270.19641	8.8
277.19440	12.5
279.20978	36.4
281.18964	16.3
281.22495	12.7
283.20486	5.3
285.18951	4.5
293.22589	7.1
295.20602	11.0
295.24219	5.6
319.24213	30.3
321.25793	17.3
325.21664	16.6
327.19388	5.1
337.25186	81.5
338.25702	9.6
339.26749	24.1
347.23581	9.8
355.26395	13.0
365.24719	64.2
383.25790	100.0
384.26059	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03951	3.8
55.05500	12.1
57.07065	3.8
60.15248	3.0
60.97214	3.2
62.35545	2.7
67.05500	23.9
69.07066	36.1
70.78651	8.2
74.83623	3.5
79.05494	30.5
81.07054	100.0
83.04963	6.6
83.08612	7.1
85.06534	15.0
91.05476	24.9
93.07047	56.5
95.04972	8.3
95.08598	47.5
97.06516	7.9
99.08065	4.6
105.07022	73.6
107.08591	49.0
109.06509	6.7
109.10139	25.4
111.08084	3.4
117.07011	9.8
119.08572	51.8
121.06492	8.0
121.10144	37.3
123.08067	12.5
123.11728	4.0
128.06197	5.9
129.06995	18.0
131.08563	44.7
133.06503	4.1
133.10123	32.3
135.08038	9.3
135.11703	13.2
137.09587	4.8
141.06996	7.0
142.07785	13.3
143.08553	25.2
144.09373	5.2
145.10117	35.4
147.08029	8.9
147.11684	36.7
149.09642	7.7
149.13261	12.0
151.07590	3.4
155.08557	18.7
156.09322	9.9
157.10121	44.6
159.07944	7.2
159.11699	48.5
161.09621	8.5
161.13229	25.4
163.11151	9.4
163.14838	6.6
167.08556	8.6
169.10139	25.0
171.11681	17.6
172.12364	3.2
173.09619	6.1
173.13235	18.4
175.11166	29.3
175.14778	6.1
177.12752	13.4
179.08545	6.4
179.14333	6.3
180.09323	5.0
181.10144	12.6
182.10909	8.0
183.11685	19.1
183.13130	3.7
185.09555	4.2
185.13213	16.5
187.11220	10.1
187.14818	8.9
189.12712	37.8
191.14316	26.8
193.10159	6.4
193.12392	3.0
195.11693	23.6
197.13257	22.9
198.13858	3.2
199.14848	10.8
201.12761	14.3
201.16422	4.8
203.14342	8.1
205.12192	6.1
207.11708	7.8
207.13719	4.5
209.13263	19.3
211.11252	3.0
211.14792	16.7
213.12685	3.5
213.16330	9.8
215.14313	12.4
217.15807	5.6
221.13226	11.5
223.14786	18.7
225.12741	3.3
225.16399	9.0
227.14337	6.3
229.12292	6.0
229.15854	8.1
232.26573	3.3
235.14812	7.2
237.16336	7.5
239.14284	6.6
239.17972	8.8
243.13831	4.2
249.16420	10.4
251.17950	11.0
253.19551	12.1
255.13681	3.7
257.18976	4.0
263.17926	11.9
265.19507	7.4
267.17422	5.8
269.15118	3.9
269.19064	7.7
277.19547	5.5
279.17822	5.6
279.21121	16.6
281.15829	3.8
281.19061	11.3
281.22516	5.5
285.18491	22.9
289.19653	6.1
291.21066	4.4
295.20724	5.4
295.24133	5.7
297.18542	8.4
307.20477	5.8
309.18488	5.9
309.25482	4.9
311.20081	5.8
315.19577	4.5
319.24139	22.2
321.25739	7.6
323.20087	3.3
325.21561	12.8
327.19876	3.6
337.25311	54.7
339.26834	7.2
341.24686	3.4
347.23666	27.5
365.24774	74.2
366.25159	4.3
383.25836	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05513	17.7
56.34215	3.8
57.07076	6.7
63.85091	3.6
67.05502	27.9
69.07066	75.1
70.01133	14.5
70.01558	6.7
75.12049	3.5
79.05480	26.0
81.07058	55.7
83.04997	4.4
83.08626	10.0
85.06541	19.7
91.05480	44.6
93.07042	63.4
95.04957	6.3
95.08608	50.7
97.06542	7.4
97.10126	4.9
98.21455	7.9
99.08097	4.6
105.07034	83.6
107.04937	4.4
107.08596	56.1
109.06543	9.9
109.10172	20.2
115.05582	3.5
117.07007	21.5
119.07802	5.6
119.08591	69.2
119.09375	2.4
120.09335	4.0
121.06541	7.5
121.10140	31.0
123.08099	6.2
123.11716	12.1
125.05975	4.5
128.06230	7.3
129.06976	16.8
130.07715	4.7
131.08557	32.2
133.06487	4.7
133.10114	44.6
135.08051	9.1
135.11705	20.6
137.06020	5.0
137.09589	5.4
137.14117	3.7
139.07549	25.4
139.11192	4.7
141.06967	10.0
142.07764	17.7
143.08539	29.2
144.09338	9.2
145.10109	45.6
147.08116	4.4
147.11681	28.6
149.05890	5.1
149.13251	6.9
151.07550	7.2
155.08539	21.9
156.09373	6.6
157.10127	47.2
158.10834	5.4
159.08028	5.1
159.11665	53.5
161.09599	6.3
161.13245	31.8
163.14832	9.1
166.07907	4.1
167.08629	7.3
168.09297	7.5
169.10103	30.8
170.10829	5.6
171.08044	6.5
171.11697	27.3
173.09534	5.2
173.13258	21.5
175.11205	32.1
175.14833	6.7
177.12767	14.4
181.10153	15.0
183.11688	29.8
185.13272	16.5
187.14854	11.4
189.12764	14.7
191.14351	6.4
193.10135	11.3
194.10912	7.4
195.11690	23.3
196.12427	7.0
197.13280	27.4
199.14821	15.8
201.12798	6.8
201.16364	5.0
203.14345	8.2
205.12263	12.0
207.11732	11.0
207.13748	7.3
208.12480	8.5
209.13214	30.0
211.11333	3.8
211.14879	28.4
212.15562	4.8
213.09050	5.1
213.12752	4.9
213.16388	10.5
215.14349	4.5
219.13542	3.7
221.13290	13.8
223.14798	27.3
224.15547	6.3
225.16417	18.9
227.14236	6.4
227.17992	7.3
229.12291	8.6
229.15904	4.0
233.15482	4.3
235.14772	8.5
236.11748	4.2
237.16411	15.9
239.18025	4.1
241.15897	5.3
241.19389	4.9
243.13765	4.0
249.16400	6.8
251.17953	17.0
253.19673	8.6
255.17563	6.0
257.15384	5.7
263.17923	12.9
265.19284	7.0
267.17462	6.2
269.15167	5.0
269.19095	19.1
270.19717	32.7
277.19403	6.3
279.21109	37.9
281.19006	19.7
281.22415	5.3
295.20584	6.8
297.18588	10.1
307.20715	7.6
309.18344	4.0
309.25705	4.4
315.19559	26.9
319.24155	21.5
321.25797	7.9
325.21692	38.0
327.19571	6.9
337.25223	100.0
337.29291	6.3
338.25662	5.3
339.26651	6.8
347.23795	7.5
355.26331	17.4
361.59790	5.1
365.24802	64.5
366.25153	5.2
383.25797	82.2
384.26331	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	4.3
54.72748	4.2
55.05501	20.9
57.07072	7.2
67.05496	39.4
69.06708	8.5
69.07063	98.7
70.77666	10.2
70.78002	6.2
72.38750	4.4
79.05480	35.0
81.07053	63.2
83.08601	10.5
84.22184	4.6
85.06526	20.0
91.05473	49.9
93.07043	80.8
95.04977	8.7
95.08604	66.3
95.65435	4.5
97.06501	5.5
105.07021	98.6
107.08598	70.1
109.06518	9.7
109.10147	30.7
117.07028	22.7
119.08572	73.3
121.06506	10.4
121.10142	33.2
123.08076	5.3
123.11698	18.2
128.06262	8.8
129.07001	22.7
130.07788	5.8
131.08554	42.2
133.06467	4.4
133.10121	52.8
135.04408	7.9
135.08073	6.7
135.11644	24.0
137.09647	6.6
139.07526	30.2
140.96849	4.6
141.06956	9.7
142.07759	21.3
143.08574	37.1
144.09367	5.8
145.10095	53.4
147.08040	6.3
147.11708	28.6
149.05965	7.9
149.13242	13.9
151.07527	8.7
155.08533	28.0
156.09352	11.4
157.10135	51.9
159.08061	5.6
159.11667	67.2
161.06110	4.8
161.09616	10.8
161.13261	36.6
163.14822	13.4
165.06961	5.6
167.08598	9.2
168.09326	8.9
169.10120	42.1
171.11682	29.9
173.09578	6.0
173.13237	17.6
175.11174	27.7
175.14783	5.0
177.12761	22.8
179.08580	7.0
181.10126	18.3
182.10986	5.3
183.11736	36.8
185.13274	26.5
187.11130	8.3
187.14841	14.8
187.84888	4.5
189.09085	8.4
189.12741	10.8
193.10149	14.4
195.11703	32.3
197.13223	32.3
199.11230	5.5
199.14841	14.8
201.12762	7.4
201.16412	5.8
203.10706	6.1
207.11725	13.5
207.13741	10.1
208.12398	8.4
209.13222	24.4
211.14812	25.6
213.12888	6.5
213.16386	12.7
217.12166	7.4
221.13338	11.6
223.14850	34.5
225.12628	5.4
225.16365	14.6
227.14363	8.3
229.12227	18.7
233.13206	6.3
235.14832	5.9
237.16373	13.3
239.14240	6.4
239.17967	6.5
241.12051	4.7
241.15903	5.5
249.16321	11.1
251.17918	21.5
253.15988	6.1
253.19623	7.9
255.13992	4.4
255.17358	4.8
257.15372	11.0
263.17990	16.2
265.19492	9.0
269.15588	4.6
269.18918	14.6
279.21094	40.4
281.19077	17.9
283.65363	5.2
285.18430	6.0
295.20654	6.6
295.24103	6.2
297.18436	5.8
307.20584	10.4
309.18539	12.7
315.19553	20.2
319.24258	23.6
321.25546	9.4
325.21707	44.5
327.19501	9.0
337.25250	98.6
347.23871	9.2
355.26266	18.6
365.24762	66.7
366.24854	5.9
383.25781	100.0
384.25922	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.05507	15.6
57.07077	13.0
59.04989	6.1
65.03947	3.6
67.05499	37.3
69.03430	12.4
69.07071	66.6
69.56178	2.1
70.11311	2.0
71.04984	5.9
71.07645	2.9
71.07984	4.7
79.05134	2.6
79.05496	29.0
81.06657	3.1
81.07068	41.5
83.04988	6.7
83.08616	7.4
85.06538	17.5
91.05475	49.2
92.87004	2.3
93.07045	100.0
95.04974	22.6
95.08612	46.1
97.06530	9.5
98.70909	2.2
99.08125	2.4
103.05464	2.4
104.80918	2.4
105.07034	73.5
107.04932	3.3
107.08590	46.6
109.06513	22.2
109.10156	30.8
111.08069	7.3
115.05452	3.7
117.07005	16.3
119.08575	62.7
121.06552	12.4
121.07354	2.4
121.10135	43.6
123.08054	22.8
123.11722	4.9
125.06008	3.2
128.06248	5.5
129.07025	15.7
130.07733	4.5
131.08574	38.9
133.06535	4.6
133.10129	34.4
135.08061	21.6
135.11658	8.1
137.05995	4.1
137.09639	11.2
139.07541	6.2
140.43242	2.1
141.06978	7.2
142.07748	15.3
143.08559	27.0
144.09268	4.7
145.06439	3.0
145.10121	43.3
147.08037	16.0
147.11713	17.6
149.09599	26.9
149.13237	3.9
151.07547	24.5
155.08522	11.8
156.09312	7.5
157.10126	43.5
159.08052	5.6
159.11696	29.8
161.09615	18.4
161.13278	14.6
163.11156	5.4
163.14847	4.4
165.07054	3.5
165.09119	34.6
167.08630	5.2
168.09276	3.2
169.10106	13.9
170.10939	3.9
171.11687	17.0
173.09641	13.4
173.11858	4.6
173.13152	11.7
175.11198	44.6
175.14851	5.6
177.09108	10.8
177.12787	3.7
179.08595	3.9
179.10765	3.1
179.14273	4.2
181.10124	9.5
182.10960	4.1
183.11665	17.5
185.13278	21.2
187.11227	7.5
187.14803	5.7
189.12781	13.2
191.14284	5.6
193.10181	4.5
194.10925	4.5
195.11687	10.8
197.09616	2.9
197.13237	13.6
199.11186	6.8
199.14853	6.6
201.12747	8.6
203.14316	26.1
207.11732	6.0
207.13805	15.7
208.12444	4.5
209.13278	13.1
209.15158	3.7
210.13980	2.8
211.11147	3.0
211.14771	13.4
212.15562	6.9
213.12715	5.2
213.16353	9.8
215.14291	9.0
216.15067	3.1
219.13857	6.5
221.13293	5.7
221.15350	63.1
223.14810	13.3
225.12750	2.8
225.16376	4.9
227.14378	3.1
227.17995	5.5
228.18623	2.3
229.12399	3.8
229.15907	2.9
231.13869	5.6
233.13188	3.8
233.15413	5.2
234.16075	11.0
235.14864	4.8
237.16402	9.2
239.17982	7.2
241.15915	3.0
249.16382	3.0
251.17924	5.7
252.18677	5.3
253.19577	5.9
255.17357	3.5
257.15393	2.9
263.17957	6.7
269.19022	31.2
270.19885	11.6
271.20535	3.9
277.19662	5.6
279.21100	9.2
281.18973	12.0
287.20071	5.7
291.17587	3.1
295.20709	3.1
297.18616	4.5
299.20212	5.0
303.19601	8.4
309.18610	4.6
315.19995	2.7
319.24185	8.7
321.26031	2.4
325.21606	5.3
337.25259	30.4
341.24985	3.5
365.24698	21.3
383.25806	82.5
384.26093	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.00280	2.3
53.03945	5.1
55.01871	3.0
55.05509	10.1
57.07065	10.0
58.21128	2.0
58.36603	2.1
59.04984	3.1
67.05502	26.0
69.03424	10.4
69.07061	5.5
69.26247	2.2
70.68848	8.4
71.04994	2.8
79.05493	27.6
81.07055	28.0
83.04989	6.4
83.08581	5.3
85.06522	2.4
91.05473	41.7
93.07041	68.5
93.85164	2.3
95.04958	25.2
95.08599	28.5
97.06529	13.7
103.05463	3.2
105.07030	58.5
107.04944	6.5
107.08590	30.5
108.05693	2.1
109.06503	19.6
109.10147	20.4
111.08112	4.2
115.05459	2.1
117.04822	2.2
117.07012	12.3
119.04964	4.1
119.08575	42.4
121.06495	35.8
121.10143	34.0
123.08051	20.5
123.11644	3.6
128.06212	4.8
129.07011	10.1
130.07797	8.4
131.08551	20.1
133.06500	6.0
133.10109	25.4
134.03639	6.8
135.08044	16.7
135.11691	4.3
137.05980	5.4
137.09633	8.7
141.06989	5.1
142.07784	18.6
143.08539	21.8
144.09311	3.0
145.06494	3.4
145.10117	37.9
146.07359	2.8
147.08066	16.1
147.11707	11.6
149.05980	6.2
149.09627	22.1
150.03119	2.6
151.07535	29.2
153.09093	2.8
155.08562	5.5
156.09346	7.2
157.10123	31.6
158.07294	9.7
159.08032	6.5
159.11676	15.5
160.08884	2.5
161.09608	18.4
161.13254	4.5
163.07591	2.3
163.11159	3.3
164.04710	3.2
165.05461	100.0
165.09109	26.5
166.05804	4.7
167.08507	2.4
169.10213	5.1
170.10881	3.8
171.08109	3.9
171.11697	5.4
173.09628	22.8
173.13268	6.3
175.11183	18.3
175.14857	6.4
177.09099	8.6
179.07028	90.8
179.08311	3.3
180.07330	4.5
181.10146	4.0
181.12306	3.6
182.10916	2.8
183.11722	4.2
185.09711	3.6
185.13225	16.8
186.10529	2.6
187.11211	6.9
187.14743	4.1
188.95680	2.3
189.12781	6.7
191.14282	3.2
193.08623	7.8
195.11777	2.9
197.13289	6.1
199.11005	2.2
201.09114	22.2
201.12869	5.8
203.14305	21.9
207.11891	3.6
207.13574	10.4
209.13336	4.8
209.15291	3.3
215.14299	8.4
216.07864	4.2
219.13782	5.9
221.13332	5.0
221.15346	48.6
225.16249	3.4
227.14169	4.6
231.10127	42.5
232.10640	3.0
233.15413	6.2
234.16141	8.4
283.20010	2.4
286.19342	5.1
287.20157	5.8
299.20175	4.3
303.19598	5.7
309.18561	2.9
363.46167	2.4
365.24756	9.4
376.43945	2.4
383.14771	10.0
383.25827	55.9
384.26215	4.7
404.70688	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	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
54.43634	2.3
55.01863	8.5
55.05518	31.1
56.48715	2.1
57.03429	5.3
59.04988	6.4
60.28720	2.5
60.58960	2.3
61.53813	2.2
67.05503	100.0
69.03432	4.8
69.07072	16.8
71.05006	2.7
71.64882	4.1
79.05493	25.3
81.03416	4.9
81.07058	40.4
83.04978	6.7
83.08620	15.3
85.06535	6.5
91.05472	24.9
93.07049	26.9
95.04975	12.5
95.08603	21.1
97.06530	9.8
97.10169	12.5
105.07046	25.0
107.04939	6.8
107.08591	24.0
109.02853	2.7
109.06484	5.8
109.10149	70.4
111.04426	3.2
111.08060	5.3
117.07016	8.9
119.08571	23.5
121.06518	6.6
121.10093	12.3
121.95856	2.9
123.08078	7.2
123.11716	4.6
125.09641	13.0
129.07028	7.2
131.08546	13.8
133.06485	8.3
133.10130	13.6
135.08057	9.5
135.11716	4.7
137.09630	8.9
141.06985	2.7
142.07767	5.8
143.08554	9.6
145.10109	12.4
147.08044	8.3
147.11668	2.8
149.09596	7.2
151.11169	3.2
155.08574	5.3
155.10693	3.9
157.10149	15.8
159.07999	4.0
159.11707	10.2
161.09633	7.0
163.11166	6.7
165.09148	6.8
169.10194	3.5
171.11673	4.6
173.09619	4.2
173.11794	17.9
175.11185	6.9
183.11702	4.8
185.09586	3.0
185.13292	6.7
189.11255	8.8
189.12788	4.4
199.11249	4.8
203.14352	3.1
203.78169	2.5
223.13237	7.3
227.12747	5.3
237.16312	3.3
245.11617	3.7
245.18877	3.3
255.17581	3.5
271.15359	3.0
273.18594	18.1
291.16483	5.4
291.19577	83.3
291.22897	4.6
320.07486	5.3
365.23245	45.6
383.15082	4.4
383.24615	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01860	6.7
55.05516	29.7
57.03418	10.3
57.07074	4.0
59.04972	5.6
65.03925	4.5
67.05504	100.0
69.03411	10.8
69.07069	19.4
70.95240	10.9
71.05000	7.7
74.41525	3.3
79.05502	36.3
81.03411	6.7
81.07056	55.4
83.04977	9.9
83.08615	17.8
85.06543	9.0
91.05484	30.3
93.07051	34.8
95.04977	12.5
95.08614	24.3
97.06522	13.9
97.10147	10.3
101.07254	3.3
105.07028	34.0
107.04984	9.7
107.08603	25.0
109.06512	8.2
109.10159	72.8
111.08083	8.3
117.07011	11.5
119.08597	27.0
121.06519	7.3
121.10126	16.5
123.08040	11.6
123.11710	3.3
125.09620	11.2
128.06136	5.3
129.06998	6.9
131.08537	21.5
131.23801	3.2
133.06480	8.2
133.10159	21.1
135.08047	9.6
135.11653	5.6
137.09605	6.8
142.07779	7.7
143.08556	12.7
145.10123	15.6
147.08038	12.3
147.11685	5.8
149.09602	9.0
151.11205	5.0
155.08562	7.3
157.10129	14.2
159.08072	5.2
159.11687	9.5
161.09616	12.2
161.13152	3.4
163.11217	6.0
165.06978	4.6
165.09074	6.9
166.07347	3.2
167.08473	3.9
169.10170	8.2
171.07959	5.2
171.11668	7.6
173.09596	5.5
173.11758	23.5
175.11145	7.0
177.09148	4.5
181.10132	4.0
183.11719	8.5
185.13284	4.2
189.11156	5.8
189.12785	5.2
199.11208	4.0
221.15225	4.4
223.13214	8.2
227.10562	6.1
227.12621	4.2
273.18637	16.2
291.19556	67.7
325.21671	3.3
365.23285	48.6
383.14886	7.2
383.24680	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	383.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08348	0.4
55.05477	0.4
67.05495	0.7
68.99776	0.5
69.03419	0.5
69.07054	0.6
69.77953	0.4
70.09156	1.9
71.04980	1.6
79.05514	0.7
81.07042	1.1
91.05474	1.0
93.07037	0.8
95.04980	0.5
95.08611	0.7
97.06519	1.0
98.20859	0.5
105.06994	0.4
106.19479	0.4
107.04943	0.8
107.08589	0.7
114.55781	0.4
114.82905	0.4
115.05456	1.4
119.08554	0.6
119.76688	0.4
121.06477	0.5
121.10125	0.7
125.09618	0.6
128.06209	0.9
129.07007	0.8
130.04066	0.5
131.08585	0.7
133.02850	0.8
141.06937	2.2
145.06488	0.4
147.04469	0.6
150.72646	0.4
153.05443	1.0
157.06483	3.1
158.07268	1.0
165.05661	0.5
165.07011	1.5
167.07040	1.1
169.06461	1.3
170.07265	1.5
171.07903	0.6
176.04776	0.5
177.05498	1.0
178.07841	0.6
179.07059	0.8
179.08525	0.6
185.05963	0.8
186.06749	3.1
187.07562	0.7
189.07047	1.3
190.07729	2.1
191.07053	0.8
191.08575	2.9
192.09329	1.0
194.07397	1.1
195.07971	0.9
197.06088	0.9
198.06754	0.5
199.07481	0.5
200.08307	1.9
201.09058	2.3
202.07729	4.6
203.06917	0.6
203.08580	4.1
205.06512	2.6
205.08446	0.8
205.10197	1.3
206.07222	1.2
207.07971	2.0
208.05162	0.7
208.08887	0.7
209.09654	1.4
211.07547	1.0
215.08620	2.8
216.09349	0.9
217.06517	0.8
217.08385	0.7
217.10229	1.2
218.07283	3.4
219.08057	9.8
219.10051	0.6
220.08813	6.1
221.05948	1.2
221.09615	1.7
222.06758	1.7
223.07613	0.7
223.11092	0.5
229.06523	0.7
229.08585	8.0
230.07277	4.1
231.08076	10.7
231.10172	1.4
232.08806	2.9
233.06020	3.2
233.09596	5.8
234.06670	3.1
234.10342	1.9
235.07509	2.6
235.11122	1.7
236.04678	0.5
236.08321	1.3
237.09045	1.5
239.06993	0.6
241.08627	1.4
244.08717	2.2
245.05946	0.8
245.09607	4.3
246.06750	2.4
247.07550	17.8
248.08301	14.3
249.05383	0.6
249.09085	5.2
250.06223	2.7
251.06960	2.0
251.10744	1.0
252.07921	0.5
253.08601	0.9
254.05788	0.6
258.06744	3.5
259.07547	6.8
260.08331	2.7
261.05505	2.1
261.09109	6.7
262.06400	2.6
262.09833	6.1
263.07065	2.7
263.10681	11.2
264.07840	2.6
264.10495	0.5
265.08563	5.7
266.09158	0.9
267.06458	1.0
267.10156	0.5
268.07120	0.4
269.07901	0.9
269.11838	0.5
271.05789	0.5
272.08459	0.9
273.05423	0.7
273.09134	1.9
274.06165	1.7
275.06998	9.6
275.10202	0.7
276.07791	13.0
277.04962	2.5
277.08563	8.0
277.12186	0.7
278.05704	3.3
278.09311	1.7
279.06573	2.8
279.10144	3.8
280.07166	0.9
280.10834	1.2
281.11557	0.5
282.08774	0.5
286.08298	0.8
287.07047	1.7
287.28265	0.4
288.07956	0.6
289.05319	0.7
289.08554	3.2
290.06094	0.8
290.09338	7.2
291.06659	1.8
291.10104	21.8
292.07291	6.6
292.10699	2.2
293.08047	12.4
293.11362	0.8
294.08853	3.3
294.11859	0.7
295.06042	1.8
295.09769	0.4
297.11169	0.8
303.06589	1.2
304.07376	3.8
305.04614	0.8
305.08060	7.1
305.11697	3.5
306.05249	1.0
306.08762	1.9
307.05972	1.9
307.09653	9.0
308.06973	0.8
308.10333	8.6
309.07468	1.1
309.11166	2.8
310.08365	1.5
311.09082	0.5
315.08572	2.2
318.08850	2.8
319.09625	11.4
320.06720	2.1
320.10370	3.2
321.07550	7.5
321.11261	2.9
322.08273	5.6
322.12009	3.1
323.05441	1.5
323.09064	1.2
323.12695	14.8
324.12994	1.2
325.10654	2.2
326.11404	0.8
329.10226	2.8
330.10950	1.8
333.11169	1.5
335.08987	4.1
336.09872	8.0
337.10669	23.4
338.07809	3.6
338.11176	0.9
339.08499	0.8
339.12247	0.8
340.12994	1.0
350.11334	3.4
351.12250	33.8
352.08649	1.0
352.13004	20.6
353.10126	13.8
354.10611	0.9
355.11450	0.8
355.15500	0.8
367.11621	0.8
368.12552	17.3
369.12897	1.2
383.14871	100.0
384.15210	4.6
384.19867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
56.96558	32.2
57.03432	5.5
61.02926	11.0
68.68501	2.6
69.03427	21.0
70.06585	6.3
70.89359	9.0
70.89698	2.9
71.04987	4.4
73.02920	7.1
74.02455	4.7
79.05502	4.6
80.03238	2.7
81.03417	19.9
82.02917	3.6
83.98328	2.4
84.04475	2.8
85.02901	57.0
85.92171	2.3
89.03926	4.3
91.05469	2.7
94.06531	3.0
95.01339	2.5
95.46790	2.3
97.02885	24.2
98.97585	22.4
99.04442	7.9
103.03924	5.0
105.07056	2.7
107.04948	3.0
109.02877	9.3
110.07183	4.3
110.97564	6.7
111.04433	3.6
115.03919	3.7
115.05486	2.5
116.98615	17.2
116.99309	2.7
117.03392	4.1
117.05772	4.0
118.06552	9.2
120.08100	2.8
123.04396	2.8
125.02393	3.7
127.03912	11.1
127.54105	2.3
128.98647	6.3
130.06519	96.7
130.66359	2.5
131.00180	3.5
132.04463	23.7
132.08078	17.8
134.99643	4.6
135.04414	9.0
136.06151	3.2
136.07610	3.6
137.05954	4.3
142.06531	5.1
143.07352	6.2
144.04451	4.2
144.06859	9.3
144.08086	41.7
145.05051	7.1
145.07587	40.1
146.06009	33.2
146.99643	5.5
147.04422	7.1
148.07573	7.4
149.01132	2.9
154.06523	9.9
155.06059	3.9
156.06824	3.4
156.08086	7.7
157.07607	71.9
158.06015	63.5
158.99663	4.3
159.09171	22.0
160.07574	16.9
161.01187	3.4
162.05571	4.0
163.03896	21.5
164.04294	3.3
167.07207	3.5
168.08078	4.8
169.07623	31.1
169.44426	2.9
170.06033	10.3
170.08392	12.0
171.09174	17.9
172.07549	19.3
174.05521	7.4
175.08667	63.3
176.07086	4.3
177.00716	6.3
177.04356	4.6
180.08023	3.7
181.07603	7.0
182.05966	6.1
182.08328	9.8
182.09782	5.0
183.09186	31.3
184.06166	5.9
184.07588	9.4
185.07098	33.1
186.05490	5.1
186.07779	3.5
187.08687	14.8
188.07071	7.7
195.03308	2.5
195.05382	4.6
195.09138	3.7
196.07639	4.9
197.07109	6.1
198.05551	4.1
199.08653	16.5
200.07098	19.8
203.08142	100.0
204.06593	6.1
206.08423	8.7
207.09171	24.8
208.09941	7.3
209.07150	9.7
209.10692	3.0
210.09099	4.2
211.08659	8.0
213.06679	7.2
214.08592	3.8
215.08095	23.0
216.06912	3.7
216.08844	14.4
217.09778	31.0
219.01807	7.9
219.09233	3.0
221.09137	47.1
221.10951	3.4
224.07065	3.4
225.10162	3.0
226.08682	3.4
227.08113	13.0
228.06607	6.2
231.07683	26.6
233.09241	6.5
235.08719	4.5
237.02773	14.5
237.10324	5.4
238.03404	2.7
238.08549	4.1
245.09206	24.9
251.08112	3.5
253.09801	4.4
256.09839	3.7
257.09229	11.8
263.10223	20.3
264.27972	3.3
266.08008	6.5
269.09171	12.8
274.10718	9.6
275.10229	6.4
281.09201	4.8
283.10712	6.9
284.09113	2.7
285.12241	4.9
287.10269	8.2
293.11743	3.9
299.10236	25.7
301.11810	8.6
302.10062	3.7
303.13699	4.0
311.10129	11.2
323.09479	3.2
329.11264	25.6
330.09589	7.3
347.12350	96.1
348.10611	20.1
365.13425	72.9
383.06531	22.9
383.14520	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57915	0.2
54.98649	0.5
56.96288	0.4
56.96563	9.0
57.33193	0.2
63.04512	0.2
63.09364	0.2
67.07131	0.2
69.71992	0.6
69.72402	1.1
69.79571	0.2
71.95271	1.9
73.54604	0.2
86.01606	0.2
91.05801	0.3
98.46496	0.3
98.97575	66.7
99.97900	0.4
116.98610	68.8
117.98982	0.7
134.99648	46.4
135.99985	0.5
140.00165	2.5
148.97456	0.2
153.00703	9.0
158.01244	3.5
174.97661	0.3
176.02252	0.5
177.00925	1.2
181.97308	0.5
192.98770	0.9
216.98778	0.9
219.02016	1.3
220.02202	0.7
221.01701	0.4
222.97847	0.3
226.96500	0.2
234.99834	3.4
236.00014	0.9
236.99661	0.3
240.98656	5.3
241.98746	0.4
253.01030	0.4
258.99759	56.3
259.99982	4.4
261.00214	0.5
261.03055	1.5
262.61703	0.2
263.02805	0.6
264.98972	0.4
274.97769	0.7
277.00809	100.0
278.01001	6.6
279.00992	1.1
282.01334	4.3
282.99915	5.9
284.00061	2.7
284.99728	0.8
291.02344	0.4
292.98935	0.3
294.98932	0.3
295.01886	1.4
298.97910	0.5
299.98792	0.3
300.02383	7.1
301.00992	11.7
302.01068	4.3
303.00766	1.5
316.98944	0.6
317.98932	0.6
318.98569	0.4
319.02011	0.9
320.02359	0.3
324.02484	0.6
341.01456	0.3
359.01474	2.1
359.99689	0.7
377.02444	1.1
378.03745	0.3
382.99408	1.3
383.04288	0.4
401.01001	6.3
402.01257	1.1
403.01196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	13.5
55.05527	7.6
56.05023	8.0
57.03440	27.8
57.07060	4.5
58.99602	9.4
60.04518	23.0
61.02922	6.6
61.97821	5.1
62.45184	4.9
67.05499	23.4
67.56790	5.5
69.03420	22.9
69.07069	6.0
69.67602	29.3
69.68008	13.3
70.06590	38.8
71.05003	6.3
72.08134	6.4
73.02918	7.1
74.00687	5.5
74.06060	9.7
75.81771	5.7
79.05482	36.6
81.03423	10.9
81.07061	18.7
83.04975	13.2
84.04507	7.2
84.08127	13.3
85.02902	57.3
86.00639	13.3
86.03201	6.2
86.09708	71.3
86.29476	5.3
86.99071	9.2
87.05602	10.3
91.03911	5.9
91.05479	16.3
93.07087	6.0
95.01327	7.0
95.04955	8.2
97.02896	17.8
97.06517	11.0
99.04450	4.9
100.02198	35.9
103.05466	5.8
104.49905	5.1
105.07038	8.4
107.04957	5.7
107.08589	82.1
109.02891	10.6
109.10141	16.7
110.07158	29.6
111.04447	34.6
119.04994	7.2
119.08520	7.6
120.08071	10.2
121.10149	10.3
123.04436	9.0
124.07453	5.6
125.09629	22.9
127.03926	15.2
128.05266	15.3
131.04948	7.9
132.01172	14.3
133.10117	5.1
135.08067	9.6
136.07564	15.3
139.03914	6.6
139.11182	7.6
145.04971	11.2
146.02704	26.8
147.04414	11.6
147.08034	11.5
153.09081	79.5
156.04820	27.8
163.03906	8.8
165.05490	10.3
167.10670	36.5
171.10165	80.6
173.12859	77.1
174.05788	6.2
181.04930	45.7
182.08096	10.6
185.11714	25.7
190.08714	8.5
201.09186	5.4
201.12405	16.4
202.05302	32.8
203.12779	91.4
204.13123	8.5
220.06378	100.0
220.51060	5.2
301.18668	10.0
302.17654	18.8
320.18564	21.9
339.10934	10.1
354.13657	7.2
382.12991	16.3
382.22263	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	382.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03146	1.1
53.03934	2.3
55.01866	1.9
57.03424	2.1
60.76327	1.0
61.02909	1.5
64.93397	1.0
69.03432	10.8
71.04989	2.6
71.41461	1.5
71.41773	1.4
78.94997	1.1
81.03422	7.0
83.01329	1.7
83.04964	2.5
85.02903	12.7
86.09696	1.2
90.05559	2.0
97.02888	34.6
99.04445	2.3
103.42381	1.0
109.02872	4.1
111.04437	10.4
112.85399	1.0
114.30960	1.0
114.62089	1.0
115.03934	1.5
120.08083	1.8
125.02350	100.0
127.03937	8.1
139.03903	54.0
139.04713	0.7
140.04286	1.5
145.04962	6.6
147.08022	1.3
153.01828	65.2
154.02213	1.5
167.03394	4.5
171.02890	53.0
180.08682	2.4
185.04460	57.6
186.04715	1.8
189.03943	13.3
202.10645	1.3
203.05496	44.2
204.05782	1.2
212.05499	1.4
220.11844	4.7
308.29877	1.1
325.63046	1.2
329.08621	2.3
347.09241	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	382.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.17886	2.2
55.01881	12.0
55.05506	7.8
56.96561	2.7
57.03436	9.0
58.06580	3.9
60.04523	6.9
61.02925	3.6
65.03944	6.9
67.05492	13.6
69.03424	8.2
69.07063	6.9
70.06597	18.8
71.05002	5.4
71.62000	4.6
72.08151	9.5
74.06094	2.9
76.63737	2.3
79.05487	10.8
81.03416	11.3
81.07039	13.3
83.01333	2.8
83.04977	8.2
83.06114	3.6
84.08150	10.4
85.02895	19.4
86.09707	24.1
87.05619	4.3
91.05479	5.8
93.03397	3.0
93.07070	4.4
95.01334	11.3
95.04961	9.0
95.08627	4.3
96.08089	3.5
97.02901	8.4
97.06536	4.4
99.08092	5.3
100.02200	9.2
103.05450	3.7
105.03439	2.9
105.07070	3.1
107.04946	11.8
107.08586	36.2
109.02888	5.5
109.06481	3.0
109.10165	7.2
110.07170	23.3
111.04465	11.3
111.08115	3.2
115.05499	2.5
117.07024	3.3
117.09156	5.6
119.04951	2.7
121.10150	3.3
123.04454	8.6
124.07636	3.0
125.09646	8.9
127.03927	5.3
129.10248	3.2
130.35904	2.8
131.04919	3.4
131.08536	3.2
132.01120	4.7
133.06432	3.9
135.04474	3.7
135.11813	3.2
136.07576	5.3
137.06013	5.1
137.09619	3.4
139.03894	7.0
139.11214	3.4
140.04652	2.7
145.06519	2.4
146.02689	4.3
147.04396	6.0
149.05975	3.6
149.09584	3.3
151.03891	4.5
151.07523	2.7
153.09109	28.6
153.12772	3.6
156.04778	4.9
157.08551	2.7
159.08069	3.5
167.03426	4.4
167.07059	8.5
167.10721	9.0
171.10173	30.2
173.12888	16.0
175.07631	3.7
177.05453	8.4
181.04959	100.0
181.06552	5.4
183.06548	6.3
185.11751	10.8
190.08627	3.0
201.12318	4.1
202.05330	4.2
202.08678	6.8
203.12782	31.1
205.04930	3.4
207.06537	12.3
209.08107	4.5
220.06367	17.3
220.09784	8.2
223.15395	3.6
229.10945	6.2
235.05989	3.5
247.06015	2.6
251.14944	4.3
258.14941	5.8
260.20804	2.9
273.13708	4.0
275.05417	3.8
291.05118	6.1
291.08746	2.5
291.14590	2.8
296.09152	3.5
302.17416	18.7
320.18530	29.6
321.10040	3.6
324.08615	2.6
325.09283	3.0
333.75705	2.7
339.10992	7.3
354.13385	4.7
364.21429	11.7
365.08868	8.1
372.99533	2.6
382.12729	3.0
382.22202	26.7
383.09613	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	382.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.6
53.03947	7.3
55.01856	3.4
57.03417	2.4
58.13045	1.3
67.09370	1.4
68.02641	1.9
68.55016	1.5
69.03425	28.4
71.04977	6.5
71.21957	2.4
71.22281	1.5
75.10384	1.6
81.03409	19.9
83.04971	2.0
85.02897	15.2
86.09674	1.9
94.57222	1.4
95.65509	1.5
97.02887	92.9
99.04443	5.9
109.02880	19.4
111.04425	14.4
115.03909	4.0
120.08096	3.1
120.38692	1.3
125.02344	100.0
126.02708	2.5
127.03905	42.4
139.03893	64.8
140.04213	2.0
145.04944	26.7
149.75667	1.7
153.01816	47.6
167.03331	3.5
171.02856	24.6
185.04443	49.0
189.03918	4.4
197.42877	1.6
203.05469	12.7
311.07611	4.4
329.08624	20.5
347.09717	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	381.2425
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
53.03928	1.6
55.05516	11.2
57.07070	1.3
59.05000	1.5
67.05507	12.7
69.03391	1.2
69.06734	1.4
69.07074	20.2
69.92868	1.2
70.66795	4.9
71.04984	2.1
79.05490	14.4
81.07056	18.3
83.04986	14.3
83.08610	5.9
83.37021	1.5
84.64987	1.1
85.06547	7.3
91.05473	15.3
93.06482	1.9
93.07043	28.2
95.04960	2.1
95.08606	20.5
97.06530	3.0
99.08054	1.3
103.05470	2.9
105.07033	34.2
107.04927	2.0
107.08594	26.9
109.06508	4.1
109.10172	10.2
111.08060	2.2
117.07028	10.8
119.04927	1.8
119.08582	24.4
121.06493	2.7
121.10141	14.9
123.08057	2.8
123.11720	3.5
125.09654	1.7
128.06210	3.9
129.07021	7.7
131.08569	18.6
133.06470	3.2
133.10115	18.7
135.08044	2.7
135.11697	7.2
137.09567	2.6
138.83017	1.2
141.06978	5.5
142.07806	7.2
143.08571	16.4
144.09315	3.9
145.06458	2.9
145.10117	19.3
147.08047	3.5
147.11696	11.0
149.05971	5.0
149.09615	1.7
149.13237	1.6
153.07014	1.7
154.07777	3.3
155.08549	16.1
156.09343	5.5
157.06541	1.4
157.10121	18.6
159.08061	3.8
159.11690	25.0
161.09604	4.4
161.13261	8.1
165.07018	4.7
166.07849	2.0
167.08533	6.2
168.09293	3.3
169.10146	13.9
170.10820	2.1
171.08055	4.3
171.11713	14.8
173.09637	9.4
173.13239	7.7
174.10345	1.4
175.11217	12.9
175.14774	1.8
177.12724	2.5
179.08543	7.9
180.09380	3.8
181.10136	12.5
182.10840	2.9
183.08000	2.2
183.11691	13.3
185.09598	4.6
185.13290	6.8
187.07469	1.8
187.11179	8.6
187.14818	2.8
189.09053	2.0
189.12697	7.0
191.10638	1.5
192.09377	4.1
193.10115	10.7
194.10938	4.5
195.11681	15.3
196.12427	3.4
197.09601	3.5
197.13266	13.2
198.10442	1.2
199.11162	6.0
199.14799	6.8
201.12708	4.2
203.08617	1.3
203.10680	4.0
205.10202	3.3
205.12245	9.2
206.10843	4.4
207.11739	12.8
207.13678	1.7
208.12460	4.8
209.09659	1.6
209.11461	1.9
209.13254	18.3
210.14087	1.8
211.11244	3.9
211.14844	14.4
212.15623	2.0
213.09233	2.1
213.12762	11.4
213.16353	2.4
215.10718	1.8
215.14359	2.4
217.12224	4.3
218.10867	1.3
219.11687	5.6
220.12367	3.4
221.09726	1.5
221.13251	15.8
222.13969	2.4
223.11237	2.9
223.14803	16.9
224.15576	1.5
225.12738	7.0
225.16359	5.0
227.10712	2.6
227.14328	4.4
229.12271	5.4
229.15875	11.5
232.12396	1.9
233.13142	6.1
234.14015	2.6
235.14847	11.4
236.15575	3.6
237.12718	2.8
237.16405	8.5
239.14313	4.4
239.17953	3.7
241.12242	1.8
241.19495	1.9
245.11589	2.7
246.13995	1.8
247.11186	1.8
247.14973	7.0
248.15561	3.0
249.12915	1.6
249.16400	8.2
251.10902	1.4
251.14272	3.6
251.17902	7.1
253.15923	4.9
253.19408	3.0
255.13802	2.2
255.17595	2.1
260.15588	1.3
261.16367	8.1
262.17075	1.8
263.17935	10.4
264.18484	2.0
265.15869	2.1
265.19531	1.7
266.16397	1.8
267.13901	2.4
267.17477	7.0
267.20682	1.3
269.15616	1.3
269.18927	6.3
275.17941	3.2
277.16418	1.4
277.19516	19.5
279.17673	8.0
279.20776	7.5
281.16168	1.6
281.19055	10.2
287.16461	5.1
291.21045	2.2
293.18970	3.1
293.22559	2.8
295.20642	2.9
297.18542	2.3
303.21002	2.4
305.19022	3.1
307.16919	4.0
307.24350	2.5
311.16684	1.8
313.17963	4.5
317.22659	12.0
319.24255	7.6
321.18503	1.8
323.20023	8.2
325.17896	3.7
335.23691	39.1
336.24142	1.5
337.25189	13.9
345.22079	2.1
353.24847	7.1
363.23196	23.8
381.24228	100.0
382.24469	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	381.2422
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
53.03925	1.5
53.82534	1.6
54.98127	1.5
55.05503	10.9
57.07063	2.7
65.03950	1.8
67.05503	12.2
69.07067	17.5
70.74218	3.7
76.89856	1.6
79.05491	14.3
81.07045	19.4
83.04979	10.2
83.08605	5.4
85.06537	13.6
88.54204	1.2
91.05465	20.2
91.14823	1.5
93.07034	25.1
95.04939	4.4
95.08604	24.6
97.06477	2.5
98.21366	1.5
103.05412	2.3
105.07023	35.0
105.10588	1.3
107.04940	1.7
107.08588	29.9
109.06506	3.7
109.10171	9.6
111.08063	2.1
115.05460	2.4
117.07016	13.7
119.04926	1.8
119.08577	30.3
121.06485	3.3
121.10133	12.1
123.08054	2.0
123.11709	1.8
128.06212	4.0
129.06989	10.3
130.07832	2.1
131.08551	18.0
133.06552	1.6
133.10124	16.5
135.08066	1.6
135.11700	7.3
137.09633	3.6
139.07523	1.7
141.07004	5.3
142.07777	8.1
143.08574	14.8
144.09344	2.4
145.06477	2.0
145.10123	20.7
147.08076	2.9
147.11699	13.0
149.05969	5.4
149.09624	2.4
149.13290	3.0
153.06915	2.1
155.08549	14.9
156.09296	7.0
157.06454	3.2
157.10149	20.8
159.08041	4.3
159.11682	20.8
161.05913	1.4
161.09579	2.9
161.13252	6.6
163.11127	2.0
165.07054	3.9
167.08583	6.3
168.09335	2.5
169.10091	16.0
171.08006	5.5
171.11670	14.7
172.08786	2.3
173.09622	8.3
173.13208	5.0
175.11139	11.1
177.12746	2.9
178.07747	2.5
179.08554	6.4
180.09331	3.4
181.10123	14.3
182.10889	5.2
183.08058	2.1
183.11671	15.4
185.09618	4.5
185.13261	7.7
187.11198	7.6
187.14838	1.6
188.82175	1.5
189.09036	1.9
189.12791	2.6
192.09364	4.4
193.10162	11.5
194.10855	5.6
195.11705	18.8
196.12445	5.9
197.09499	1.9
197.13261	14.1
199.11171	8.1
199.14819	9.2
201.12750	2.9
201.16475	2.2
203.10721	3.3
205.10133	4.1
205.12245	8.4
206.10896	6.0
207.11742	13.3
208.12582	4.0
209.09554	2.6
209.13298	15.7
210.10452	1.9
211.11322	4.1
211.14835	12.1
213.12726	11.5
213.16351	2.2
217.12190	3.9
219.11662	4.8
220.12489	4.4
221.13264	16.6
222.13997	2.8
223.11263	3.3
223.14774	15.8
225.12756	6.6
225.16360	5.3
227.10666	3.1
227.14194	7.4
227.17897	1.6
229.12271	2.3
229.15845	14.0
232.12531	1.8
233.13246	5.9
234.14030	3.5
235.14796	9.6
237.12807	1.6
237.16336	9.1
239.14354	2.6
239.17993	2.5
240.14801	1.4
241.12234	2.2
243.17372	2.4
245.11746	5.6
246.14049	2.4
247.14839	5.4
248.15459	2.8
249.12749	1.8
249.16402	9.5
251.14362	2.8
251.17912	9.1
253.12059	1.7
253.19537	3.1
255.13858	4.5
255.17365	2.9
261.16348	7.3
262.17203	2.0
263.17914	11.3
265.15875	3.6
265.19415	3.2
267.14099	1.4
267.17450	8.3
267.20667	2.4
269.19037	5.8
275.18002	3.9
277.16370	2.8
277.19434	15.5
279.17410	10.9
279.21024	8.7
281.18927	8.9
282.19516	1.9
287.16516	5.9
289.19290	2.2
291.21075	1.9
293.19055	2.9
293.22430	2.5
295.17145	2.1
295.20526	4.0
297.18503	2.2
305.18988	2.5
307.16861	4.0
307.24179	3.4
311.16388	2.2
313.17993	5.3
317.22610	9.7
319.24335	8.6
321.18530	1.6
323.19965	5.8
325.17981	4.8
335.19714	2.2
335.23672	37.1
336.24149	2.0
337.25201	16.5
345.22220	3.4
353.24734	8.2
363.23145	19.0
381.24234	100.0
382.24640	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	381.2422
Annotation	dinor-Spiculoic acid A
Peak:m/z	Relative Intensity
53.03945	3.1
53.14146	1.4
55.05513	11.6
57.07070	2.6
64.58227	1.5
67.05505	20.9
69.03403	2.1
69.06720	2.1
69.07066	28.0
69.86612	10.6
69.95242	1.4
71.04985	5.5
79.05121	1.5
79.05497	19.4
81.06579	1.7
81.07054	31.0
83.04980	9.4
83.08598	6.1
85.06537	20.8
91.05475	30.9
93.06454	2.8
93.07040	49.5
95.04975	7.6
95.08034	2.3
95.08601	28.2
97.06529	4.2
99.08090	2.7
105.07021	65.0
107.08594	36.1
109.06526	4.1
109.10146	15.8
111.08085	2.6
115.05454	3.4
117.07009	17.3
119.04931	3.1
119.08575	42.1
120.67034	1.4
121.06501	4.2
121.10131	22.0
122.80134	1.4
123.04503	1.7
123.08059	2.8
123.11700	5.5
124.37493	1.4
125.05960	2.2
125.09650	2.2
128.06229	7.0
129.06987	14.6
130.07758	4.7
131.08562	34.9
133.06509	3.3
133.10117	38.8
135.08047	3.3
135.11703	15.0
137.09662	3.7
139.07449	1.6
141.06967	7.6
142.07779	14.5
143.08543	30.1
144.09338	7.4
145.06503	3.6
145.10110	30.6
147.08070	3.3
147.11678	19.6
149.06001	9.3
149.09612	2.7
149.13252	4.7
151.11176	1.9
153.06950	4.1
154.07782	2.4
155.08542	25.5
156.09343	10.3
157.10110	36.5
158.10822	2.2
159.08031	4.0
159.11685	53.9
160.12053	1.7
161.09618	5.6
161.13272	14.5
163.07530	2.0
163.11191	2.9
165.06998	6.0
165.12697	1.7
166.07835	3.6
167.08543	9.8
168.09309	5.1
169.10127	23.7
170.10924	3.5
171.08037	4.2
171.11667	27.0
173.09604	6.6
173.13226	11.9
175.11201	11.6
175.14857	3.1
177.09157	1.6
177.12735	5.9
179.08530	8.4
180.09343	5.2
181.10085	23.0
182.10902	5.7
183.11705	23.0
185.09673	4.8
185.13249	15.3
187.07547	3.5
187.11169	9.8
187.14793	5.5
189.09050	2.8
189.12686	7.1
191.08530	2.7
191.10513	1.4
192.09323	5.5
193.10129	18.7
193.11836	2.1
194.10944	8.1
195.11664	29.5
196.12480	4.4
197.09639	3.3
197.11610	2.5
197.13255	23.1
198.13914	1.7
199.11113	4.3
199.14795	16.3
201.09167	1.8
201.12634	6.8
201.16370	4.2
203.10706	3.5
205.10127	5.6
205.12236	15.9
206.10909	9.9
206.12547	2.2
207.11708	19.5
208.12448	5.7
209.09708	2.0
209.13237	23.6
210.13934	3.0
211.11163	5.0
211.14804	17.9
213.12691	7.0
213.16315	1.9
215.14473	3.0
217.10130	3.5
217.12157	3.5
218.10916	3.3
219.11711	10.4
220.12392	5.5
221.09781	2.1
221.13239	26.8
222.14030	4.4
223.11185	4.2
223.14801	22.6
224.15556	2.1
225.12767	6.5
225.16292	9.6
227.10663	4.3
227.14262	6.8
227.17926	2.5
229.12248	9.0
229.15878	5.3
231.11746	3.7
232.12372	5.1
233.13266	10.3
234.14030	4.5
235.14835	16.0
236.15656	2.5
237.12671	3.9
237.16386	17.0
239.14256	4.4
239.17928	4.4
241.12154	5.0
241.15900	3.1
241.19429	1.9
243.13763	2.8
243.17543	2.3
245.11415	2.0
246.14053	5.1
247.14977	8.6
249.12582	1.8
249.16418	14.7
250.17145	3.3
251.10786	1.6
251.14116	3.6
251.17986	10.3
252.18977	1.5
253.15927	3.6
253.19543	5.0
255.13814	5.4
255.17516	2.2
257.19235	1.4
259.14825	2.5
261.13516	1.9
261.16339	17.2
262.17123	3.2
263.14249	2.4
263.17902	15.2
264.18781	2.5
265.15863	3.8
265.19443	6.5
267.13855	2.7
267.17410	8.2
269.15399	2.1
275.14975	1.9
275.17816	8.8
277.16467	2.9
277.19470	28.0
278.20016	1.5
279.17447	14.1
279.21045	9.5
281.18954	4.9
287.17984	2.4
289.15970	2.5
289.21713	1.9
291.21054	4.6
293.19049	5.0
293.22659	8.6
295.16855	3.4
295.20596	3.4
297.18701	2.4
303.20862	1.5
305.19028	4.4
307.16846	4.9
307.20502	2.4
307.24265	4.2
309.25677	1.9
313.17926	3.3
317.22610	18.0
319.24158	12.1
321.18527	2.0
321.22131	1.7
323.19977	11.7
325.18036	3.5
335.23685	67.8
336.24164	4.5
337.25198	17.2
339.23083	2.8
345.22076	6.3
353.20844	2.2
353.24744	13.1
363.23138	39.0
364.23972	2.3
381.24203	100.0
382.24780	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	381.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81920	1.9
53.03928	3.3
55.05501	8.7
57.07062	4.5
59.04980	3.4
67.05499	14.3
69.07062	12.9
71.04984	3.8
71.64784	2.2
71.65187	2.9
77.06415	2.2
78.25322	1.9
79.05483	16.3
81.07048	23.4
83.04967	7.5
83.08617	5.4
84.22171	1.9
85.06528	9.4
91.05475	20.6
93.07040	30.0
95.04955	7.8
95.08604	23.5
97.06521	4.5
98.48176	2.1
103.05455	1.9
105.07022	40.3
107.04964	2.3
107.08588	28.9
109.06487	3.2
109.10146	11.1
117.07014	10.1
119.07776	3.4
119.08575	41.3
120.08943	2.6
121.06513	3.8
121.10123	18.6
123.08055	3.2
123.11694	2.6
124.81567	2.0
128.06174	3.1
129.06990	8.2
131.08571	23.1
133.06496	4.3
133.10112	19.6
135.08038	2.4
135.11682	7.1
141.06908	4.9
142.07759	13.9
143.08539	17.6
144.09326	4.1
145.10117	24.8
147.08063	3.9
147.11693	13.7
147.76311	1.8
149.05981	2.6
149.09642	2.9
149.13237	5.1
153.06972	2.8
154.07866	2.6
155.08536	12.2
156.09320	8.9
157.10109	31.1
158.10895	4.3
159.08052	4.5
159.11685	33.1
161.09662	2.5
161.13223	5.2
163.11162	3.7
165.06972	6.2
166.07809	2.8
167.08592	6.8
168.09351	4.8
169.10095	19.6
170.10904	8.6
171.11696	19.8
172.12486	2.0
173.09625	5.6
173.13254	12.6
175.11143	11.6
177.12756	2.3
179.08502	10.1
180.09262	2.6
181.10114	12.4
182.10890	6.1
183.08061	2.2
183.11714	16.6
184.12387	2.7
185.09634	7.5
185.13242	12.1
187.11176	12.5
187.14737	4.8
189.09142	3.2
189.12741	2.5
192.09334	6.1
193.10130	13.6
194.10887	5.7
195.11674	13.6
196.12450	4.0
196.69460	1.9
197.09599	3.0
197.13237	16.5
199.14806	6.7
201.12775	3.4
203.10672	2.7
205.10095	7.0
205.12128	4.4
206.10905	8.4
207.11667	19.8
208.12373	4.7
209.09734	2.2
209.13274	16.4
210.13800	2.0
210.65863	2.0
211.11156	3.9
211.14795	14.3
213.09291	2.1
213.12669	3.6
213.16426	5.5
215.10770	3.4
215.14256	2.7
217.12128	3.2
218.10893	4.3
219.11691	8.7
220.12437	10.0
221.13240	25.4
222.13985	3.8
223.11166	4.5
223.14769	13.2
225.12729	5.1
225.16316	3.3
227.10619	2.7
227.14296	6.2
227.17830	2.2
229.12260	8.9
229.15831	2.8
231.11583	5.7
232.12549	2.9
233.13194	13.6
234.13951	7.5
235.14789	20.2
237.12735	4.3
237.16420	11.4
241.12163	6.0
243.13841	2.9
245.13155	3.0
246.13936	4.3
247.14836	8.9
249.16446	9.2
251.17894	9.1
255.13937	3.5
259.14832	4.4
260.15564	5.7
261.16418	14.3
262.16888	2.7
263.17978	12.7
264.18451	2.0
265.19638	2.4
267.17642	3.5
271.82825	2.2
275.17935	11.0
276.18622	2.6
277.19461	24.3
279.17410	7.7
279.21094	7.1
281.15335	5.7
281.18484	1.9
283.16742	2.6
287.17798	2.4
289.19131	2.4
293.18976	7.9
295.17108	3.4
295.20645	6.8
303.17520	2.7
303.21124	2.6
305.19223	2.9
307.16910	6.8
317.22632	14.4
319.24167	12.5
321.18616	3.9
323.20102	8.0
325.18042	5.8
335.23709	30.9
337.25186	12.8
345.21942	4.3
353.24725	4.9
363.23169	45.8
364.23608	2.4
381.24188	100.0
382.24307	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	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01868	41.5
55.05515	32.8
55.60325	3.7
57.02572	3.5
57.03430	49.2
57.07073	4.9
65.03922	6.9
65.94588	3.6
67.05175	6.0
67.05504	81.0
69.03413	10.8
69.07069	33.4
70.06577	5.0
71.01336	3.7
71.04979	14.4
71.64516	6.5
71.74369	3.7
79.05067	5.2
79.05490	87.3
80.06261	5.0
81.03432	20.3
81.07058	69.9
83.01334	7.5
83.04974	45.0
83.08617	10.7
85.02888	14.7
85.06525	7.2
91.04961	6.2
91.05480	79.7
93.07046	68.2
95.04964	59.1
95.08604	43.0
97.02855	9.8
97.06531	25.4
103.05479	9.0
105.07026	75.5
107.04954	100.0
107.08602	27.2
108.05744	5.7
109.06531	40.4
109.10147	16.5
111.04420	10.1
111.08043	11.2
112.05205	9.8
115.05443	6.9
115.97894	4.7
116.98639	4.2
117.07005	41.6
119.04913	10.0
119.08559	43.2
121.06472	27.6
121.10135	15.8
122.07304	19.2
123.04408	7.7
123.08052	14.2
123.11723	7.6
125.05945	5.8
125.09654	4.7
128.06213	7.4
129.05487	8.1
129.06953	19.7
131.04909	9.4
131.08585	38.4
133.06479	32.4
133.10150	26.3
135.04369	6.4
135.08041	13.8
135.11702	12.6
136.08798	5.2
137.05971	10.6
137.09616	5.3
139.07527	5.2
141.06949	6.5
143.08531	13.2
145.06500	22.5
145.10124	31.3
147.07997	31.0
147.11711	7.2
149.06036	5.8
149.09579	7.9
151.07492	4.3
155.08519	8.4
156.09322	4.9
157.06519	4.5
157.10190	9.1
159.08066	11.6
159.11667	12.3
161.05930	6.0
161.09615	23.6
161.13338	10.3
162.10298	4.2
163.03868	4.8
163.11194	12.2
165.09135	6.6
169.10100	6.9
171.07954	4.9
171.11658	11.1
173.09589	8.3
173.13243	9.2
175.07445	4.4
175.11201	9.1
177.12764	5.0
179.14351	4.5
187.11113	6.2
187.14848	8.8
189.12677	8.2
197.13280	8.8
201.16425	3.6
205.15810	7.2
215.14328	14.3
233.15352	55.8
238.09424	6.4
241.32411	4.1
251.16335	7.8
261.14871	9.2
267.09644	5.3
273.18442	10.2
289.18005	7.2
290.18594	5.3
307.19089	23.5
335.18552	59.6
336.18985	4.6
339.59293	4.4
364.16190	26.6
365.16217	4.4
381.13187	5.9
381.23230	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1806
Annotation	Vomicine
Peak:m/z	Relative Intensity
55.33792	0.7
56.03474	0.9
58.06595	100.0
59.06930	0.9
63.03146	0.9
70.06564	2.2
70.70714	2.9
72.08134	3.1
75.97830	0.8
81.07025	1.1
84.08092	0.9
89.59309	0.8
97.10371	0.9
164.72379	0.9
195.08005	0.7
235.07463	1.9
253.08585	2.0
263.06992	1.6
265.08627	1.5
270.08844	1.0
277.08463	1.1
281.08148	4.2
296.10468	5.3
304.09729	2.0
326.13803	2.3
336.12195	1.9
341.16168	18.6
381.13205	1.8
381.18042	26.7
381.22757	1.2
382.18402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58104	0.5
69.57001	3.5
70.65738	0.4
80.02641	0.4
91.53088	0.4
91.84628	0.4
98.97594	0.6
127.21575	0.5
134.10968	0.4
160.38821	0.5
201.01642	3.2
219.02681	4.0
233.25949	0.5
381.07928	100.0
382.08243	3.0
392.55786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26211	0.4
56.96555	5.3
69.03427	1.0
70.06558	0.6
70.94747	1.2
77.00903	0.5
82.99877	0.8
84.96057	1.1
97.02920	0.8
98.97572	12.6
101.00869	3.2
103.02459	0.8
110.97575	1.7
112.99106	2.8
113.00848	1.4
115.02398	5.2
116.98624	5.7
119.01914	6.3
127.02380	0.8
128.98570	3.2
129.02283	1.4
129.03996	1.3
131.00197	4.5
131.01886	6.7
133.01817	1.6
133.03458	25.9
134.99646	1.0
137.00909	0.7
139.02461	0.7
141.04013	1.5
143.01909	5.7
145.01750	0.6
145.03481	4.8
146.99666	1.6
147.01413	0.8
147.03314	2.1
147.05045	2.3
149.01253	1.8
149.02997	0.8
151.04512	4.8
153.03990	0.8
155.01913	7.3
156.02713	1.0
157.03465	7.3
158.99623	2.6
159.03389	2.8
159.05072	11.0
159.06190	0.8
161.01176	0.6
161.01604	0.8
161.02937	6.8
163.04602	0.7
165.00705	1.2
165.04283	0.6
167.01962	0.8
169.03452	1.1
171.05028	8.0
173.01439	1.0
173.02946	9.1
175.02951	1.1
175.04503	6.1
177.00746	2.9
177.04395	5.9
177.06134	5.0
178.04985	0.9
179.01889	2.9
183.04979	6.9
185.02953	3.7
185.06639	2.3
187.02914	0.7
187.04573	1.5
189.00742	0.7
189.04546	0.8
189.06129	1.7
191.02336	1.2
193.03629	1.1
195.05428	2.9
195.07239	3.4
197.02956	5.9
197.06653	1.2
199.04610	1.8
201.00771	1.1
201.04337	2.6
201.06161	3.6
203.04036	4.5
205.05658	1.1
206.02766	0.6
207.05107	1.0
211.04620	3.0
213.06114	1.1
215.07712	0.7
218.06563	0.6
219.01756	3.5
219.05322	1.4
219.07133	23.9
221.05058	15.9
221.08463	0.8
222.05261	0.5
225.06015	1.3
231.07130	26.5
232.07294	0.6
233.08682	5.3
237.02805	7.2
243.07280	1.0
245.05072	25.0
245.08830	1.1
247.06728	0.8
249.08324	0.8
255.07126	10.1
259.06546	2.5
261.08359	2.7
263.06281	2.1
273.08160	9.3
285.08176	0.8
291.09369	0.6
295.07101	1.4
303.09381	1.2
321.10388	100.0
322.10568	2.8
339.10999	7.8
375.53415	0.6
381.11896	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	380.149
Annotation	Bocconoline
Peak:m/z	Relative Intensity
67.05457	1.4
70.06586	1.0
74.06059	1.5
79.05439	1.4
79.06396	0.7
81.03371	0.7
81.07025	1.5
83.04923	0.9
84.04460	3.1
87.69637	0.7
91.05441	2.3
93.07025	1.5
95.08588	1.2
95.45251	0.6
105.06995	1.7
107.04894	2.4
107.08556	0.8
117.06930	1.2
129.52533	0.6
131.08505	0.7
134.69769	0.7
145.10144	0.7
165.07008	1.2
176.06248	1.1
177.05550	0.7
177.06970	1.4
178.07678	0.8
189.06963	0.9
191.08566	1.8
193.06506	1.0
195.08044	0.7
205.06503	3.7
207.08000	1.2
208.08795	0.9
219.08006	2.0
220.08855	2.2
221.05942	1.5
221.09485	1.4
222.06760	2.4
223.07434	3.8
233.05943	3.3
233.15417	1.1
235.07524	14.5
236.08206	2.9
237.09358	0.7
247.07608	3.2
248.08316	2.1
249.05382	2.2
249.09102	1.8
251.06956	8.2
251.10835	0.9
260.10562	1.0
261.05569	3.6
262.06195	2.3
263.07043	26.5
264.07678	2.6
265.05457	1.4
265.08569	26.4
265.11465	1.0
266.08987	2.2
277.08667	4.0
278.09372	100.0
279.06570	46.0
279.09872	7.9
280.07010	5.7
292.07117	0.9
293.08038	1.0
294.08859	53.9
295.09262	2.6
304.09641	1.1
307.09433	1.4
309.11206	46.3
310.11563	2.9
317.10519	0.9
318.11169	1.7
320.09100	1.0
330.11417	3.3
331.11688	1.1
332.09158	1.1
336.12296	18.3
337.12601	1.2
346.10684	4.2
347.11365	2.6
348.12527	1.0
360.12045	1.0
362.13861	30.4
363.14136	1.3
380.14951	40.2
381.15240	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	379.2841
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.73780	2.2
53.03954	4.2
54.35501	2.5
55.05508	20.5
57.07082	14.3
67.05508	21.1
69.07072	27.4
71.08652	6.7
71.66216	4.3
79.05487	17.0
81.07058	37.8
83.04968	7.5
83.08610	7.9
85.06538	10.4
86.65756	2.6
87.76493	2.6
91.05464	13.0
93.07047	26.3
95.04963	3.9
95.08600	32.7
97.06540	15.8
99.08104	2.5
105.07027	11.4
107.08088	2.5
107.08611	31.1
109.06496	19.6
109.10130	10.8
111.04440	27.1
111.08112	7.1
116.83853	2.4
117.06990	4.5
119.08578	10.8
121.10141	8.4
123.08057	14.8
123.11720	5.9
125.05964	20.9
131.08498	3.1
133.10098	8.2
135.08032	16.6
135.11699	17.7
137.05954	12.1
137.13179	2.9
145.10123	13.6
147.11674	7.1
149.09596	6.2
151.07553	5.0
153.12752	6.1
163.11208	8.0
165.09047	3.4
165.12781	5.6
170.02226	2.7
177.12735	5.0
179.14371	6.6
181.12242	13.5
189.12590	3.7
191.14403	3.0
193.12222	3.8
195.13770	4.2
221.18961	4.6
227.17809	2.9
287.23730	3.4
305.21265	6.3
305.24728	88.5
306.24966	6.1
319.26276	23.9
329.24496	3.7
347.25800	100.0
348.26050	4.9
351.28857	24.8
361.27399	10.4
379.28485	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	379.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41551	1.9
53.03944	4.5
53.70578	2.0
55.01868	7.3
55.05503	7.3
56.05025	2.5
56.96558	2.1
57.03443	12.3
59.04977	2.4
61.02925	11.2
62.17089	2.0
67.05498	11.1
69.03430	48.2
69.07055	6.9
69.67667	15.5
70.06586	11.7
71.04982	9.1
72.08149	6.9
73.02921	10.6
75.04489	2.3
75.87123	2.0
79.05492	12.4
79.97352	2.3
81.03418	20.1
81.07050	26.8
83.05000	4.7
84.04501	5.7
84.08141	7.9
85.02903	65.3
86.09695	4.2
87.04453	7.8
91.03970	5.0
91.05473	18.8
93.07039	21.5
95.04953	11.5
95.08611	25.3
97.02895	33.7
97.06517	5.1
99.04455	9.1
101.02360	3.4
103.03992	2.5
105.07028	44.5
105.07678	3.7
107.08605	21.8
109.02872	9.9
109.06534	7.5
109.10185	13.4
109.10797	2.5
111.04460	5.8
115.03902	3.6
115.05469	4.2
116.07038	2.5
117.07009	19.6
117.69364	2.0
118.06459	2.4
119.04933	2.2
119.08575	40.7
120.08107	2.1
121.06458	2.8
121.10147	15.1
123.08056	6.5
127.03910	17.6
128.06233	6.3
129.05484	3.3
129.06999	12.0
129.10242	2.6
130.07797	4.2
131.08569	31.0
133.06502	2.5
133.10120	23.2
135.08076	3.2
135.11679	4.1
137.05952	3.3
137.09634	3.0
141.06952	5.2
142.07762	16.9
143.08554	30.3
144.09358	7.8
145.04971	11.5
145.06400	4.5
145.10112	40.0
146.06065	2.6
147.04420	7.3
147.11690	14.1
149.09622	3.1
155.08592	8.8
156.09366	7.1
157.08937	4.2
157.10133	57.6
158.10889	3.3
159.08058	3.6
159.11690	100.0
160.07613	5.4
160.12125	3.2
161.09637	6.0
161.13260	26.6
162.09134	4.2
163.03911	3.4
167.07040	2.1
167.08536	4.5
169.10115	12.9
170.10831	2.5
171.11687	17.9
173.09697	5.5
173.13269	12.5
175.11182	4.2
175.14839	5.8
181.10098	4.6
182.10931	2.9
183.11699	6.6
184.12497	3.7
185.13269	8.8
187.11186	3.3
187.14836	8.7
188.07072	14.3
189.16418	27.0
191.17896	2.4
195.11682	3.5
197.13214	11.7
197.37453	2.1
199.14801	55.9
200.15292	3.4
201.12733	8.3
201.16393	34.4
203.14278	5.0
206.08167	9.4
209.13345	4.1
211.11293	2.6
211.14761	4.4
213.12756	5.4
213.16335	3.0
215.14354	18.9
217.15874	70.7
218.16272	5.1
227.14354	6.2
229.15981	5.7
233.04362	2.0
241.15788	4.6
259.16943	6.0
260.95004	2.3
287.16437	2.4
302.27176	2.5
305.17502	7.1
325.17990	2.9
343.18887	4.2
361.19986	10.0
379.21219	41.1
380.13336	8.6
380.21072	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01196	2.9
53.03936	10.2
55.01866	5.4
55.05500	8.8
57.03437	12.2
58.06598	10.1
61.02920	7.7
65.03918	4.6
67.05501	22.0
68.53410	2.9
69.03429	33.7
69.07056	7.3
70.06589	22.2
71.04993	3.8
71.57821	6.5
72.08145	7.4
73.02890	4.8
74.06081	2.9
79.05499	17.4
81.03411	13.1
81.07061	28.1
83.04993	7.5
84.04507	6.1
84.08148	12.1
85.02904	65.2
86.09709	12.5
87.04469	3.8
91.03959	4.3
91.05484	39.7
93.07044	85.0
93.07636	4.5
93.48748	3.1
94.07382	3.8
95.04980	24.8
95.08603	13.3
97.02901	20.6
99.04469	5.3
103.05425	4.5
105.07036	52.2
107.04964	4.4
107.08589	21.6
109.02856	11.2
109.06496	17.0
111.04406	3.5
111.08096	8.5
112.08701	3.3
115.05489	4.4
117.07017	17.6
119.04926	4.8
119.08606	26.2
121.06506	35.0
121.10133	6.8
123.04361	3.6
123.08050	5.8
127.03928	14.7
128.06216	9.5
129.07013	16.0
129.10254	4.0
130.07724	3.2
131.08565	42.6
133.06461	7.5
133.10144	10.0
135.04482	4.0
135.08089	5.8
136.07578	9.1
137.06001	6.6
139.03966	3.3
139.07559	5.5
142.07817	18.9
143.08551	31.7
144.09349	12.7
145.04955	5.8
145.06488	33.8
145.10127	28.1
147.04443	9.7
147.08038	9.9
147.11717	5.3
149.06001	5.0
149.09601	3.0
151.07611	3.6
153.05515	4.5
153.06964	5.7
155.08537	10.1
156.09401	4.5
157.06468	4.5
157.10132	40.4
158.07288	9.0
159.08070	40.1
159.11699	100.0
161.09593	7.0
161.13287	6.8
166.05017	6.4
168.09317	3.6
169.10075	16.9
171.11719	12.6
172.08783	7.3
173.09624	7.8
173.13261	9.7
175.07520	5.1
179.08386	5.3
182.11037	3.6
183.11726	7.5
185.13264	8.9
187.11162	58.6
187.14790	3.8
189.16393	4.9
197.13324	6.7
199.14844	43.0
201.09084	3.6
201.12700	7.5
201.16397	13.1
201.18123	4.5
205.12306	12.9
208.06145	8.6
211.14839	6.5
215.14366	9.2
217.15881	40.6
225.08676	26.9
229.12254	5.0
229.15869	3.8
241.15820	3.6
247.13275	67.2
254.05417	6.5
265.06958	3.9
361.20303	3.6
362.15717	4.4
362.96854	3.2
379.21582	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	379.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.0
54.44164	1.2
55.05501	1.5
56.05031	1.6
57.03444	1.3
57.38663	1.0
60.51466	1.0
65.03942	9.0
65.68702	1.2
67.05495	3.8
69.03418	3.6
69.07053	4.5
70.06591	30.6
70.98043	1.6
70.98356	2.1
71.04994	1.3
71.06915	1.9
72.08150	3.7
79.05485	4.3
81.07045	2.1
82.04182	3.3
83.05002	1.7
84.08163	5.3
85.02902	6.6
86.09706	50.4
87.10033	3.2
91.05479	9.7
93.07027	3.0
95.04945	3.5
95.08608	1.3
97.02883	2.3
97.06505	3.6
105.07036	4.4
106.04173	1.2
107.04939	4.2
107.08595	1.5
108.02106	1.3
108.05730	1.7
109.02869	1.8
109.06467	2.7
109.10147	1.4
110.03651	3.1
110.07175	8.3
111.04446	2.8
113.06007	1.3
115.07892	1.0
115.08694	5.8
117.06968	1.2
118.04100	1.8
119.04939	2.7
121.06512	4.7
123.04408	1.4
123.08073	1.1
125.05991	2.8
129.10234	3.8
131.08530	2.3
131.31776	1.1
133.06442	1.8
135.08087	1.2
136.05165	2.4
137.06017	6.6
138.03198	1.8
142.02625	2.1
142.24353	1.1
143.08348	2.4
145.06505	1.7
145.10162	1.9
146.03600	2.8
147.04401	3.4
149.05965	1.8
151.03842	1.6
151.07489	6.6
153.05470	4.6
153.06958	2.7
157.06427	1.2
157.10109	2.7
157.13333	2.7
159.11661	2.0
161.05977	2.8
164.04672	2.2
165.05559	1.6
165.06934	2.0
167.07079	13.7
169.10083	1.3
171.06531	5.7
171.11292	2.0
173.05968	1.4
179.07036	44.2
181.04970	89.4
181.08473	10.4
182.07300	1.7
183.08113	2.3
185.16502	1.7
186.16762	1.3
189.12421	1.5
191.06989	2.5
192.04190	3.1
193.08582	2.4
197.05989	3.5
197.08034	1.4
198.06747	2.0
199.14786	2.7
207.06531	100.0
209.05920	1.8
213.09108	3.6
215.07069	1.6
215.14426	1.2
217.15729	1.7
226.06184	2.5
231.12369	7.1
241.08540	6.6
243.06557	1.5
245.11781	1.2
251.14914	1.4
269.08008	3.8
271.05988	2.3
273.11172	5.7
278.14368	1.1
301.10724	8.7
318.10953	1.7
329.10065	2.2
331.72052	1.6
333.13364	16.2
361.12473	2.6
388.26193	2.3
402.26062	1.8
402.76431	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	377.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	51.1
57.07071	62.6
69.07069	89.6
71.06116	20.9
71.08618	39.3
71.64012	15.3
71.64440	22.8
72.04506	14.3
78.72892	11.3
80.68769	11.4
81.07064	22.6
83.08616	42.8
85.10211	13.0
89.06043	11.4
91.53188	10.9
93.59732	11.5
95.08633	17.3
97.10184	31.3
99.05573	100.0
99.94427	10.9
109.10160	13.2
111.11739	34.7
132.07919	11.3
135.34828	10.2
136.61258	10.7
165.11192	11.1
234.64139	11.6
244.01994	11.5
257.49887	12.6
269.03030	11.1
349.35303	12.9
377.35269	64.7
383.76163	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	378.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85481	5.6
55.01862	9.7
55.05516	8.9
56.05031	31.3
56.38834	4.4
57.03426	4.7
58.06601	60.7
60.04514	10.5
61.01144	17.5
69.03423	20.9
69.07062	5.5
70.06591	75.3
71.04996	6.4
71.61907	8.3
72.08150	24.0
73.02924	5.8
74.06065	9.5
79.05492	9.5
81.03410	17.0
81.07055	13.7
84.04515	16.1
84.08145	16.8
85.02914	36.8
86.06042	6.6
86.09695	19.7
87.04456	6.3
88.53319	5.3
91.05491	13.8
93.07037	23.6
95.01336	6.2
95.04968	9.6
95.08626	14.4
97.02876	12.6
99.04441	12.3
100.37114	5.1
104.05300	30.8
105.07031	18.7
107.08586	5.7
109.02885	12.9
109.06469	9.7
112.07545	6.7
116.07127	7.5
116.98531	5.0
118.08646	6.2
119.04910	6.1
120.08124	13.0
121.06511	13.1
123.08061	11.2
127.03928	19.8
128.04242	6.9
129.05460	11.8
129.07019	7.2
129.10249	8.1
131.08524	12.3
132.56091	5.3
134.67578	5.0
135.04379	6.7
135.07953	6.4
136.06180	6.9
136.07559	8.7
137.05960	22.3
138.06345	7.0
139.03835	6.1
141.06976	7.0
143.08582	6.8
145.06505	11.8
145.10182	7.5
147.04491	6.8
151.03905	5.8
151.07582	17.3
152.07903	11.2
153.05568	8.9
153.06992	27.3
155.04938	7.1
157.06494	5.8
157.10107	18.3
159.07956	9.7
159.11684	23.5
161.05891	8.9
162.09132	7.5
163.07452	5.6
165.07002	6.9
167.03624	6.1
167.08463	8.1
169.06467	10.2
169.13333	6.5
171.08005	7.0
177.07826	22.1
178.08702	6.3
180.08049	12.5
181.06474	23.4
181.08604	21.9
183.08043	9.3
183.11304	13.9
185.06090	6.4
187.06020	5.9
187.07553	17.4
187.11224	12.9
188.07289	11.5
190.08687	17.2
191.09402	16.4
192.10162	100.0
197.05986	31.8
197.13097	6.9
198.06679	6.4
198.09166	6.4
199.07581	7.7
199.09602	8.9
199.14832	12.3
200.15167	7.4
201.05548	6.1
201.09082	18.0
209.06107	10.2
209.08347	14.4
211.07603	15.4
213.09129	35.6
215.07005	11.4
217.15919	13.4
220.07454	8.5
223.07648	8.5
225.05492	17.2
225.09045	6.2
229.08595	11.0
229.11604	8.9
233.09528	23.4
238.08684	14.7
239.07034	20.4
240.07767	6.8
240.10217	7.3
241.08623	18.7
242.11699	7.2
243.06422	9.2
244.13333	6.8
247.13248	23.8
251.07043	7.7
252.10251	18.2
253.05099	37.1
253.08487	11.8
257.08005	10.0
261.09061	19.9
264.06644	22.1
267.06476	12.7
268.09723	6.9
269.08029	10.0
271.09070	7.0
272.12781	40.5
285.07492	9.9
300.12280	7.2
312.12329	7.7
314.10251	30.0
314.13867	36.3
315.10916	5.9
326.13858	6.6
328.11841	13.2
328.15457	44.0
329.15768	8.0
332.14908	17.2
342.10452	13.5
344.14957	19.7
345.15753	8.4
346.12833	20.1
360.14322	41.1
373.58298	5.2
378.15359	86.8
378.19232	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03923	2.0
55.83023	0.8
57.03437	9.0
57.39583	0.8
58.06592	1.9
61.02922	4.3
61.37142	0.9
69.03073	1.5
69.03425	16.3
71.01347	3.1
71.04989	3.4
71.37526	2.1
73.02902	3.0
74.75645	0.9
75.04475	3.0
81.03410	4.3
87.04520	0.8
99.04440	6.0
106.97977	0.9
117.05496	1.3
117.07163	0.8
130.06561	0.9
145.07588	2.9
145.57010	0.8
157.06383	1.1
170.07193	1.1
172.08698	35.8
175.74890	0.9
190.09760	1.7
198.06648	8.0
200.08218	6.3
214.09755	1.1
216.07684	23.2
243.08769	84.2
244.07088	2.4
244.09319	1.2
275.26367	0.9
359.13535	4.1
377.14551	100.0
378.14920	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	377.1932
Annotation	Ala Arg Met
Peak:m/z	Relative Intensity
54.54173	0.4
56.21889	0.4
58.80451	0.4
70.26752	2.1
71.34307	0.4
79.44662	0.4
81.07037	0.9
91.05457	0.6
92.77677	0.4
98.21430	0.5
105.07072	0.5
155.03107	0.6
156.66425	0.5
191.67343	0.4
197.04201	31.6
199.15807	0.4
292.49716	0.4
317.14584	0.4
317.17325	4.0
359.17996	0.5
377.19318	100.0
378.19550	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	377.1933
Annotation	Ala Arg Met
Peak:m/z	Relative Intensity
51.30134	0.3
53.14625	0.3
55.05499	0.6
56.33973	0.3
64.82143	0.3
67.05504	0.5
69.03400	0.4
69.07079	0.3
69.71157	2.5
70.06571	0.5
72.72101	0.3
79.05499	0.8
81.03379	0.3
81.07034	1.4
82.06567	0.4
84.08148	0.4
87.55865	0.3
91.05461	1.4
93.07025	1.1
93.35538	0.3
93.86420	0.4
95.08589	1.2
97.06513	0.9
102.51620	0.3
105.07036	2.0
107.08585	1.1
113.09633	0.4
115.05489	0.4
119.08580	1.1
129.06976	0.5
131.08528	1.0
133.10109	0.8
139.03636	1.4
141.06979	0.4
142.07870	0.4
143.08510	0.6
145.10086	0.6
151.07501	0.5
151.55829	0.3
157.10115	0.6
159.11658	0.7
159.88208	0.4
177.35936	0.3
215.07039	0.8
259.88397	0.3
261.14746	0.6
277.56158	0.3
299.16238	0.5
317.17224	5.3
359.18335	0.5
377.19312	100.0
378.09827	0.4
378.19699	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	377.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
55.05483	2.3
56.05036	4.2
56.96559	19.5
57.03410	4.0
61.02916	5.9
67.05482	2.8
69.03417	16.3
69.07081	3.0
70.06586	7.3
70.98120	2.6
71.04994	2.7
71.64072	3.6
72.08154	4.2
73.02901	3.4
74.06078	8.7
74.97610	2.7
78.03459	5.1
80.05009	5.6
81.03413	7.8
84.08127	9.5
84.96014	3.7
85.02892	41.1
85.03365	4.8
86.09692	44.7
89.03915	6.7
91.03968	2.8
91.05505	9.1
93.97353	2.4
94.06556	5.1
95.04991	4.4
97.02897	22.4
98.06022	3.1
98.97565	14.4
99.04443	5.4
106.02897	22.5
107.05001	2.9
108.04473	21.7
111.04412	4.3
112.49665	2.6
116.07062	4.6
116.98611	13.0
117.03352	5.8
119.01877	3.1
119.04933	9.5
125.02344	70.1
127.03905	11.6
128.98578	5.9
129.05399	4.1
129.10228	5.2
130.08626	2.7
134.02362	97.9
134.99664	3.0
135.04390	13.1
140.07077	4.9
143.00189	4.8
145.02773	6.1
145.05013	6.9
146.99614	3.3
147.04376	25.4
150.07814	3.8
152.03392	3.4
153.01814	25.0
153.10156	3.8
161.01215	7.0
162.01859	49.9
163.03899	55.2
164.04372	3.2
177.00732	6.2
180.02904	100.0
181.48697	3.4
182.99631	3.5
189.00781	6.3
198.03888	17.2
198.06468	3.0
199.14723	4.2
201.00705	3.1
201.12459	3.6
203.02257	5.1
207.07246	2.8
215.05408	7.6
215.10260	3.3
215.14223	3.8
219.01694	6.3
219.13570	4.6
221.02985	6.8
221.05104	5.8
233.03209	3.7
237.00665	3.9
237.02850	11.4
257.03229	3.1
309.08713	5.1
359.07870	3.1
377.08282	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
53.83355	3.4
55.01868	8.3
55.05498	8.1
56.05038	8.6
57.03430	6.9
58.06603	9.7
61.02930	6.8
64.98169	3.5
65.03945	3.2
67.05490	6.4
69.03429	28.7
69.07049	4.6
70.06589	27.9
70.09753	7.4
70.10160	13.6
71.04989	14.6
72.08149	13.3
73.02911	6.5
79.05508	8.5
80.92787	3.3
81.03410	13.6
81.07050	14.5
83.04975	6.1
83.67443	3.3
84.04493	6.8
84.08140	15.7
85.02901	40.3
86.09692	17.9
87.00803	5.7
91.05482	11.6
93.07083	8.0
95.01332	17.0
95.04968	4.9
95.08607	15.4
97.02876	17.4
99.04433	27.5
101.02383	5.0
104.05291	5.7
105.07018	12.2
107.04961	8.6
107.08580	6.2
109.02878	8.8
109.06516	4.3
111.04482	4.6
113.02374	12.0
115.05454	7.2
117.07005	3.7
119.08591	4.7
120.08131	7.5
123.04427	16.8
123.07291	3.6
123.08036	18.0
125.02350	12.4
127.03912	59.3
128.06197	4.0
129.04564	5.2
129.05475	43.0
129.06987	5.1
129.10246	6.5
130.24706	3.5
131.08539	6.1
133.06490	3.9
135.04440	6.6
136.07607	4.8
137.05978	54.3
141.06987	5.1
142.07732	6.4
143.03394	6.7
143.04962	9.4
143.08577	9.0
145.04915	6.4
145.10178	5.8
147.04472	5.0
149.06026	8.1
151.03893	5.9
151.07541	34.9
153.07022	7.1
155.03403	14.7
155.08543	8.0
157.10104	24.3
159.02898	12.0
159.06517	4.9
159.07974	6.6
159.11685	8.5
161.05962	13.0
163.03896	6.6
165.05537	4.6
165.07045	4.1
167.07054	35.3
167.08427	7.3
169.10097	7.8
171.08087	5.4
173.04500	14.2
175.07545	5.5
179.08536	10.0
181.06538	7.5
181.08589	4.0
182.07442	3.9
182.10901	4.2
185.09657	4.2
187.06082	20.1
187.14746	4.0
189.07050	9.5
190.08707	5.6
192.10194	18.8
197.13261	13.8
199.14784	26.4
205.06589	6.2
207.08022	19.7
209.13168	3.8
211.07512	7.5
213.09085	6.4
213.12762	5.9
215.14493	19.3
221.06027	7.4
223.07582	5.8
227.07043	5.2
233.06436	4.6
233.09642	4.2
234.06760	12.0
235.07489	24.3
238.06210	7.0
239.07184	6.1
241.08716	5.8
249.05548	6.9
251.06996	10.5
252.07631	9.6
253.08566	17.2
255.06630	4.8
261.09052	4.6
262.06345	29.3
263.06973	24.7
265.05054	11.9
266.05753	5.0
267.06622	7.4
267.10220	8.1
271.09656	5.2
272.12860	6.2
279.06497	6.2
280.07285	6.3
281.07983	18.9
282.08795	9.6
285.11331	7.8
288.09952	8.4
290.05667	5.1
295.09705	6.2
297.07346	5.4
299.07938	4.2
302.11481	7.0
308.06717	13.2
309.07544	12.9
311.05441	4.2
313.10602	44.9
314.10770	4.3
323.09167	26.5
328.15390	8.0
331.12186	4.7
332.15125	4.9
341.10214	100.0
377.13693	4.6
377.19452	22.0
378.15625	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	376.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05520	2.2
65.03918	0.8
67.04225	1.2
67.05507	1.1
68.05023	0.6
69.03426	1.4
69.07085	0.7
69.60855	0.8
69.61263	3.2
70.06592	16.2
70.99182	0.5
71.01366	0.4
71.04986	1.2
73.02921	0.5
76.89180	0.4
79.05484	2.1
80.05021	1.3
81.03420	1.3
81.07054	1.3
82.03755	0.5
82.06578	62.9
83.04964	0.8
83.06931	0.7
83.07365	2.0
84.08143	23.0
85.02883	0.8
85.26199	0.4
86.09696	0.6
91.05488	4.4
92.05807	0.7
93.07042	2.9
95.04977	0.8
95.08604	1.0
96.08135	1.7
97.02841	0.6
97.06528	1.6
100.07626	1.6
103.05489	1.0
105.07021	8.2
107.04961	0.7
107.08598	1.5
109.06528	0.5
112.95698	0.6
115.05457	1.2
117.06998	2.2
119.04977	2.2
119.08604	2.5
120.05311	1.5
120.08107	0.5
121.06501	0.6
123.08099	0.6
128.06219	0.9
129.06989	1.6
130.07768	0.7
131.08569	3.7
133.06508	0.7
133.10141	1.4
135.04457	0.5
137.05949	2.0
138.06311	0.9
140.07080	1.7
140.10680	0.9
141.06923	0.7
141.07875	0.9
142.07777	2.7
142.08730	0.6
143.08574	2.7
145.06563	0.6
145.10127	2.8
147.04330	0.7
147.08096	0.7
147.11674	1.4
148.04839	0.6
149.05919	0.6
151.03935	3.3
151.07556	1.6
152.04269	1.8
152.07941	1.3
155.08612	0.6
157.10106	3.2
159.08008	1.0
159.11723	1.9
161.09532	0.7
164.14380	0.7
168.09372	0.9
169.10117	0.6
171.08022	0.6
173.09566	0.6
173.13217	1.0
175.07530	0.6
175.11169	0.9
176.07945	1.0
178.06235	0.6
179.06906	0.9
180.07426	0.6
183.11702	1.2
187.11208	0.7
189.09100	0.8
196.07388	0.7
199.11218	0.7
201.12787	1.5
203.10736	0.6
204.11182	0.6
210.06818	0.6
210.09149	1.1
221.08383	0.6
223.07414	0.6
226.06252	0.8
238.08788	0.5
241.08618	1.7
249.07898	0.8
264.10126	0.7
268.07269	0.6
269.08060	0.7
279.06509	0.6
281.10474	0.7
298.10983	0.8
308.09207	0.7
311.09018	4.4
316.19052	3.6
340.11804	2.2
359.14627	0.6
376.21185	100.0
377.21512	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.0
53.14761	2.8
55.05506	18.5
57.07066	5.6
58.29230	2.7
67.05505	31.1
68.50966	2.5
69.07058	14.9
71.05014	3.0
71.66386	5.2
79.05487	37.1
81.07054	52.7
83.04993	4.8
83.08607	4.6
91.05475	57.8
93.07043	73.1
95.04971	39.6
95.08607	39.2
97.06528	6.6
99.38411	2.8
103.05450	5.7
105.07026	100.0
106.07313	4.0
107.08594	46.2
109.06516	9.2
109.10133	21.8
115.05464	5.0
117.07016	19.2
119.08578	76.3
121.06491	17.2
121.10141	64.7
123.08051	11.8
123.11681	6.1
128.06247	8.5
129.06990	16.6
130.07791	6.8
131.08560	39.7
132.09283	2.9
133.06554	4.1
133.07619	2.5
133.10121	39.3
135.08054	3.8
135.11726	12.9
141.07022	6.4
142.07790	16.9
143.08554	32.8
144.09390	6.3
145.10127	57.8
146.07231	2.9
147.11702	17.2
155.08553	11.5
156.09354	8.5
157.10126	42.3
158.10931	4.1
159.08047	4.7
159.11671	31.1
160.08791	3.0
161.09619	14.1
161.13278	8.4
165.06973	3.6
167.08569	9.0
168.09370	5.8
169.10118	15.8
171.11653	13.3
173.09676	4.6
173.13312	15.0
175.11200	5.6
175.14897	7.6
179.08598	7.4
180.09314	3.6
181.10136	8.2
183.11700	12.3
185.13280	7.1
187.11217	6.0
187.14832	12.7
193.10083	8.0
195.11725	10.2
196.12474	3.1
197.13289	9.1
199.14874	7.5
201.16409	2.9
207.11702	3.2
209.13289	13.6
211.14833	7.7
213.16357	3.9
220.12598	3.0
221.13260	4.8
223.14755	8.4
225.16470	5.7
232.32332	2.5
233.13158	2.9
235.14763	4.8
239.17863	4.3
241.19203	3.4
253.19482	5.0
265.19403	5.3
287.18082	2.6
315.80505	2.7
364.45328	2.8
367.39056	2.9
375.26752	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2118
Annotation	Narcimarkine
Peak:m/z	Relative Intensity
52.54547	0.3
53.03955	0.4
55.01872	0.8
55.05509	1.8
65.03942	0.3
67.04239	1.2
67.05505	0.8
68.05030	0.8
69.03432	0.3
69.05800	0.3
69.07061	0.4
70.06590	15.9
71.04987	1.2
71.63428	0.3
71.63798	0.4
73.02912	0.4
79.05494	1.2
80.05025	1.9
81.03390	0.3
81.07053	1.5
82.06575	60.4
83.04984	0.5
83.06911	0.6
83.07362	2.2
84.08139	21.5
90.17861	0.3
91.05471	2.3
93.07027	1.4
95.04964	0.4
95.08620	0.7
96.08135	2.1
97.06499	0.4
100.07613	2.0
105.07021	8.2
107.04919	0.3
107.08607	0.9
108.08144	0.3
109.06513	0.3
110.09660	0.4
112.07548	0.3
115.05495	0.4
117.06995	1.9
119.08559	2.2
120.08123	0.4
121.06519	0.5
121.10210	0.3
122.06009	0.3
123.96186	0.3
128.06227	0.8
129.06993	1.0
130.07753	0.5
131.08574	3.4
133.10138	1.2
134.09650	0.4
135.08063	0.5
140.07069	0.9
140.10690	0.4
141.07874	0.6
142.07779	1.9
142.08580	0.4
143.08533	2.4
145.06531	0.3
145.10136	2.5
147.08029	0.6
147.11691	0.8
155.08557	0.6
157.10118	3.2
159.08008	0.6
159.11670	1.4
161.09601	0.6
164.14366	0.6
168.09261	0.7
169.10083	0.4
171.08192	0.3
171.11676	0.3
173.13287	0.8
175.07607	0.4
175.11224	1.5
177.09215	0.4
183.11690	1.8
185.13322	0.4
187.11247	0.9
189.09099	0.4
191.37437	0.3
199.11192	0.4
201.12741	1.1
211.11162	0.5
216.23257	0.3
217.12363	0.5
229.12337	0.3
241.08513	0.5
246.14787	0.5
247.13377	0.6
270.18570	0.4
311.09137	0.8
316.19006	3.4
334.19971	0.5
376.21161	100.0
377.21558	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.05508	15.5
65.03935	4.5
67.05499	27.3
69.03401	4.6
69.07056	15.4
73.90871	2.9
77.03959	2.7
79.05492	37.5
81.07056	52.8
83.04996	3.5
83.08593	4.4
91.05477	52.2
93.07040	81.1
95.04971	39.9
95.08597	47.1
97.06516	8.5
103.05464	6.8
105.07026	100.0
107.04967	4.2
107.08588	49.6
109.06485	15.0
109.10149	24.0
115.05429	6.6
116.06238	3.4
117.06997	19.4
119.08578	80.4
120.49860	2.5
121.06506	17.6
121.10136	70.6
123.08033	7.9
123.11687	6.3
128.06216	10.7
129.07002	12.0
130.07773	5.8
131.08566	51.4
131.92221	2.9
133.10123	46.9
135.08070	6.5
135.11725	18.6
141.06943	6.2
142.07776	21.1
143.08559	32.2
144.09328	5.5
145.06500	4.0
145.10114	61.9
147.11664	17.5
154.07806	3.0
155.08548	12.5
156.09372	6.4
157.10129	44.7
158.10815	3.5
159.08075	4.3
159.11700	33.4
161.09563	16.1
161.13261	5.2
163.11192	3.5
165.07031	5.0
166.07756	3.2
167.08524	5.1
168.09410	4.6
169.10110	20.6
170.10936	4.0
171.08080	2.9
171.11658	20.0
173.09552	2.9
173.13292	17.4
175.11151	8.0
175.14810	8.2
179.08537	6.4
180.09361	3.3
181.10136	9.2
182.10855	7.1
183.11726	15.4
185.13257	11.8
187.11128	4.9
187.14783	19.6
193.10138	5.7
194.10960	2.8
195.11713	10.9
196.12582	4.2
197.13216	11.2
199.11195	3.8
199.14830	10.6
201.16364	4.5
207.11711	9.2
209.13223	12.5
211.14839	7.4
220.12552	4.4
223.14832	9.1
225.16460	4.4
229.58073	4.0
235.14996	4.7
237.16518	3.3
251.18001	3.6
253.19519	4.7
269.19058	5.0
357.25385	3.9
375.26877	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03933	5.7
55.01859	8.1
55.05505	23.2
57.03428	8.3
57.07060	6.2
57.75114	1.6
58.06593	2.5
59.04970	3.5
61.02920	12.4
67.05509	15.3
69.03424	37.1
69.07064	46.2
70.06596	5.0
71.04987	15.9
71.65079	2.8
73.02903	5.7
74.26399	1.7
77.03897	1.8
79.05506	8.4
81.03412	13.4
81.07053	37.7
82.06562	6.5
83.04969	10.6
83.08622	11.8
84.08138	4.0
85.02901	89.8
85.06544	21.0
85.85056	1.9
86.03192	1.8
87.04450	6.8
91.03938	4.7
91.05465	6.4
93.07043	16.8
95.04948	3.0
95.08601	49.1
97.02891	27.8
97.06518	7.1
97.10159	13.1
99.04433	7.2
99.08092	25.2
101.02352	1.7
105.06993	6.1
105.83768	1.6
107.04938	2.1
107.08598	23.0
109.02873	15.1
109.06561	2.6
109.10154	19.5
110.10494	1.9
111.08024	3.3
111.11732	8.9
113.09651	9.8
119.08588	5.2
120.08099	1.9
121.10142	39.6
123.04382	2.0
123.08089	2.3
123.11696	10.8
125.09648	10.3
127.03899	23.4
131.08571	2.1
135.11676	16.7
137.05963	4.7
137.09599	4.1
137.13257	27.1
139.11203	8.7
145.04964	15.6
147.04370	1.9
149.13248	4.3
151.14819	4.7
153.12709	10.0
157.10141	2.7
167.07007	4.8
173.30225	1.8
175.07507	3.4
177.08914	1.7
177.16383	100.0
178.16704	2.9
178.63580	1.8
193.08504	3.7
195.17433	41.1
196.17828	2.0
213.18475	47.1
242.56738	2.0
255.06355	2.6
256.06775	2.6
274.45377	2.5
285.11258	1.9
330.10452	4.3
375.23837	6.8
376.21277	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94749	1.0
53.03943	1.9
55.01859	1.8
55.05507	7.7
57.54020	1.2
67.05161	1.6
67.05499	17.9
69.07063	6.1
69.88145	2.0
69.88551	6.2
71.04995	2.0
79.05493	18.2
81.03410	1.7
81.07053	21.8
83.04987	2.4
83.08603	1.6
84.08165	1.6
85.06529	7.7
86.09698	3.1
88.93529	1.2
89.43824	1.1
91.05482	22.8
93.07043	94.2
94.07352	2.0
95.04956	6.8
95.08604	65.3
97.06519	5.6
97.10155	1.1
103.05476	1.3
105.07030	43.8
107.05022	1.2
107.08593	27.4
109.06503	5.0
109.10163	9.5
111.08076	10.4
115.05424	1.7
117.07014	8.8
119.04961	1.6
119.08582	30.5
121.06509	11.3
121.10139	59.2
122.10478	1.6
123.08067	8.7
125.09615	2.2
128.06221	4.1
129.06998	8.4
130.07776	1.7
131.08566	28.7
133.10130	29.4
135.08018	5.9
135.11696	17.0
137.05951	1.7
137.09554	5.7
139.07539	23.5
141.06947	3.3
141.09099	1.7
142.07794	10.6
143.08549	18.2
144.09312	2.7
145.10114	29.9
146.10913	1.8
147.08098	3.0
147.11681	11.3
148.25554	1.3
149.05864	1.5
149.09618	3.9
149.13280	4.3
151.11137	1.2
153.06952	1.2
154.07741	1.9
155.08556	12.6
156.09326	4.3
157.10132	32.2
158.10867	2.6
159.08044	2.0
159.11690	38.5
160.12437	1.5
161.09605	7.3
161.13280	5.7
163.11197	4.7
165.07002	2.3
165.12733	1.2
166.07739	1.2
167.08540	3.9
168.09387	2.8
169.10115	17.3
170.10861	1.7
171.08069	1.2
171.11676	14.5
173.09576	4.7
173.13264	8.9
175.11188	27.6
175.14897	2.3
177.00041	1.1
177.12743	17.6
179.08437	2.3
179.10724	1.6
180.09294	2.6
181.10152	9.6
182.10846	3.2
183.11691	12.6
185.09842	1.2
185.13257	12.5
187.11215	4.8
187.14844	4.3
189.09016	2.2
189.12709	2.6
191.10748	2.1
193.10242	1.5
193.12305	1.3
194.10873	2.6
195.11696	19.8
195.13576	1.3
196.12424	5.5
197.13275	10.8
198.13812	1.2
199.07309	1.4
199.11189	2.3
199.14847	7.6
201.12764	3.0
201.16377	2.0
203.10674	2.3
203.14346	1.7
207.11725	1.6
209.13287	18.6
210.13739	1.5
211.11569	1.2
211.14810	31.1
213.09120	1.7
213.12759	5.4
213.16312	8.0
215.10803	1.6
221.13338	1.2
222.14040	1.8
223.14815	5.1
225.16391	11.4
227.14420	6.0
227.17921	12.9
229.12247	2.1
229.15869	1.7
229.19536	1.4
236.15614	1.8
238.17259	1.4
239.14191	1.5
241.12334	2.0
241.15857	3.7
241.19482	7.7
243.17570	2.1
245.19008	1.4
251.17960	40.1
252.18175	2.2
253.19524	10.8
255.17526	2.5
257.15390	5.2
259.13242	1.2
261.16489	1.7
269.19000	100.0
270.19336	4.9
271.16934	8.1
271.20602	4.6
273.18356	7.8
279.17499	4.1
287.20038	52.6
288.20456	2.8
297.18494	39.2
298.18839	1.9
315.19516	29.0
316.19794	1.5
333.20624	8.8
375.21765	10.7
375.30640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2165
Annotation	Sarcophytonolide D
Peak:m/z	Relative Intensity
51.02364	1.7
53.03933	4.1
55.05510	8.3
57.05461	1.4
58.61120	1.5
60.05965	1.4
61.82386	1.4
66.07868	1.3
67.05502	13.7
69.07063	6.9
70.57295	5.0
79.05486	17.9
81.07058	32.6
83.04961	2.8
83.08603	3.4
85.06532	12.0
85.19740	1.5
91.05480	30.8
93.07039	79.9
95.04963	9.4
95.08600	42.9
97.06510	6.6
103.05464	2.1
103.31602	1.4
105.07027	66.2
107.04936	1.8
107.08587	40.8
109.06490	4.6
109.10146	9.9
111.08069	3.3
115.05478	4.0
117.06999	12.9
119.04957	1.8
119.07775	3.2
119.08574	39.8
121.06490	8.1
121.10134	16.4
123.08019	9.1
123.11656	1.9
125.06008	2.6
125.09614	1.7
128.06206	5.4
129.07010	10.4
130.07771	1.5
131.08565	35.5
133.06503	2.4
133.10118	32.9
135.08041	3.6
135.11684	20.3
135.30440	1.5
137.05954	3.0
137.09576	6.4
139.07501	8.1
141.07016	4.8
142.07791	11.5
143.08562	22.8
144.09334	2.2
145.06464	2.0
145.10118	24.7
147.08023	3.3
147.11679	14.1
149.09586	5.2
149.13239	8.2
152.21350	1.7
153.06950	3.1
155.08536	14.3
156.09358	4.2
157.10123	40.4
158.10928	3.8
159.08081	2.3
159.11699	46.4
161.09605	6.5
161.13257	12.0
163.11160	2.2
165.07002	3.6
167.08553	4.2
168.09331	4.3
169.10115	15.7
170.10690	1.8
171.11690	18.4
173.09613	4.6
173.13203	9.5
175.11188	25.2
177.09200	2.0
177.12767	14.5
179.08583	3.1
180.09383	3.0
181.10085	9.6
182.10945	4.3
183.11673	19.2
185.09593	3.7
185.13245	13.9
187.11200	6.6
187.14728	2.0
189.09087	2.8
189.12770	5.5
191.10663	2.2
193.10178	3.1
194.10991	2.5
195.11681	24.0
195.13481	1.9
196.12460	5.9
197.13206	10.0
199.11124	3.5
199.14809	5.9
201.12834	3.5
209.13260	18.2
210.14030	2.1
211.11369	2.3
211.14818	26.0
213.12776	4.1
213.16400	5.0
217.12244	1.7
221.13327	4.1
222.13974	2.5
223.14851	6.3
225.16396	9.8
227.10732	2.0
227.14354	7.4
227.17885	16.8
229.12215	11.4
229.15851	2.5
231.13843	1.9
241.12265	2.4
241.15912	2.1
241.19453	8.6
243.13762	2.1
245.15559	1.9
251.17950	49.9
252.18436	2.6
253.19499	6.7
255.13757	2.6
255.17375	4.0
257.15369	4.6
269.18997	100.0
270.19431	3.6
271.17032	4.1
271.20538	3.7
273.18454	12.2
279.17474	4.9
287.20013	19.7
297.18478	71.3
298.18619	2.3
315.19543	45.8
333.20343	7.9
375.21661	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
54.11111	0.9
55.05507	5.6
55.72453	0.9
65.03946	1.7
67.05507	18.1
69.07061	2.9
70.14149	4.3
71.04977	2.4
77.03933	1.3
77.04633	1.1
79.05493	11.1
81.07053	16.1
83.04955	1.3
83.08602	2.1
85.06538	8.6
91.05479	21.7
92.05827	1.1
93.07043	100.0
94.07367	1.6
95.04967	4.2
95.08604	62.2
96.08945	1.7
97.06548	1.9
97.10168	1.0
98.20735	1.3
103.05455	1.3
105.04632	0.9
105.07030	42.7
107.08595	14.8
109.06516	2.3
109.10121	5.9
111.08067	10.9
112.96673	0.9
113.04653	1.0
117.07030	6.9
119.08576	18.5
121.06519	8.6
121.10144	17.5
123.08066	3.3
128.06210	3.4
129.06993	5.7
130.07796	1.1
131.08571	23.5
132.60985	1.1
133.10130	32.2
135.08052	5.0
135.11674	12.1
137.09648	2.4
139.07535	32.9
140.07965	1.1
141.07013	1.2
141.09096	2.3
142.07774	11.5
143.08560	14.6
144.09317	2.9
145.10120	19.2
147.11679	6.2
149.09644	1.9
149.13257	3.4
154.07753	1.5
155.08568	9.9
156.09294	3.9
157.10138	28.9
158.10872	3.5
159.08064	1.2
159.11699	29.3
161.09647	7.3
161.13293	3.0
163.11163	5.6
165.06961	1.8
167.08566	3.9
168.09370	1.9
169.10124	11.2
170.10756	1.2
171.11694	10.8
173.09691	2.2
173.13306	3.1
175.07547	1.0
175.11189	24.2
176.11945	4.3
177.12770	21.7
179.08563	2.6
180.09329	2.5
181.10127	6.4
182.10922	2.3
183.11697	7.3
185.13252	9.4
187.11223	2.6
187.14917	2.5
189.12741	2.2
193.02736	0.9
194.10921	2.4
195.11711	14.7
196.12465	3.9
197.13303	9.2
199.14825	4.9
201.12840	1.8
201.16499	1.6
207.11702	2.0
209.13249	17.6
210.13861	1.1
211.14816	23.0
212.15440	1.6
213.12718	2.7
213.16324	4.9
221.13222	1.6
222.13983	1.4
223.14850	3.8
224.50426	1.0
225.16444	3.9
227.14285	3.3
227.17938	16.0
228.60487	1.0
229.12144	1.4
229.15860	2.3
229.19461	2.0
236.15553	3.1
237.16238	1.2
238.17067	1.1
241.12213	1.0
241.15942	1.5
241.19600	5.5
243.17772	1.2
251.17937	43.2
251.20486	2.3
252.18295	2.5
253.19516	11.4
255.17471	3.6
269.19006	87.6
270.19409	3.8
271.16940	3.0
271.20618	4.6
273.18549	19.6
279.17572	1.5
279.20563	1.3
287.20010	10.3
297.18497	20.5
298.18750	1.4
313.32816	1.3
315.19522	25.9
316.19888	1.3
329.21140	1.7
333.20508	2.1
374.36261	1.4
375.21765	5.4
375.36523	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	375.2163
Annotation	Sarcophytonolide D
Peak:m/z	Relative Intensity
50.14328	1.1
50.44996	1.2
53.03928	3.3
55.01855	1.6
55.05497	6.5
57.07060	1.6
67.05499	15.4
69.03410	1.7
69.07051	8.0
69.54247	1.1
71.04979	2.8
73.39068	1.0
73.79580	1.1
76.88142	1.0
79.05485	21.7
81.07047	30.1
81.49339	1.2
83.04951	2.4
83.08636	2.6
85.06528	9.1
91.05471	33.2
93.07032	100.0
95.04967	7.6
95.08595	49.2
96.08921	1.9
97.06538	5.6
104.05675	1.3
105.04460	1.9
105.07018	67.1
106.07384	1.3
107.04947	1.8
107.07848	2.1
107.08578	42.0
109.06491	7.1
109.09433	1.2
109.10119	7.4
111.08064	6.3
115.05420	1.8
116.06142	1.3
117.07006	12.4
119.04972	1.8
119.08567	40.9
121.06472	8.9
121.10124	18.6
123.08050	7.6
123.11676	1.3
125.06000	2.8
125.09611	1.9
128.06197	3.2
129.07005	13.1
130.07797	1.7
131.08556	38.0
133.06508	2.7
133.10120	45.4
135.08058	6.3
135.11681	32.2
137.05981	3.2
137.09593	7.9
139.07524	8.6
141.06972	4.9
141.08989	1.3
142.07779	13.7
143.08553	21.7
144.09279	4.1
145.06548	1.7
145.10107	33.1
147.08067	3.3
147.11673	16.8
149.05913	1.5
149.09595	4.0
149.13240	10.3
151.07466	1.5
151.11140	2.2
153.06978	1.9
154.07776	1.4
155.08549	15.5
156.09300	4.6
157.10115	49.0
158.10930	3.0
159.08089	2.3
159.11671	44.2
160.12096	1.2
161.09576	5.4
161.13240	10.0
163.03796	1.3
163.07588	1.4
163.11191	4.2
165.06987	2.8
166.07759	2.2
167.08545	3.6
168.09302	4.1
169.08688	2.2
169.10106	20.6
170.10818	2.4
171.11664	19.8
173.09604	3.5
173.13303	8.1
175.11157	28.5
177.09161	1.2
177.12730	22.7
179.08527	3.6
180.09401	2.9
181.10092	10.5
182.10730	2.5
183.11662	19.4
185.09633	3.7
185.13271	11.5
187.11145	7.2
187.14870	2.8
189.09094	3.7
189.12730	3.8
191.10643	2.8
193.10121	3.3
193.12231	2.0
194.10890	3.2
195.11719	22.0
195.13748	3.6
196.12466	6.8
197.13242	12.8
199.11168	3.3
199.14748	6.0
201.09135	1.8
201.12755	5.2
203.10645	4.1
205.12181	1.9
206.10794	1.5
207.11665	2.7
208.12395	1.8
209.13226	22.6
209.15062	2.2
211.11145	1.8
211.14803	24.3
212.15277	2.2
213.12741	5.4
213.16322	6.0
219.13840	1.5
221.13292	2.8
222.13937	2.3
223.11284	1.6
223.14827	5.8
225.16377	15.9
227.10614	1.9
227.14375	6.6
227.17911	20.2
229.12177	10.7
229.15765	2.2
236.15514	1.9
239.14262	3.4
241.12268	4.2
241.15878	2.9
241.19467	7.8
243.13792	1.7
245.15384	1.7
247.13173	1.3
251.17938	54.7
252.18236	2.1
253.16028	2.1
253.19481	8.7
255.13637	1.8
255.17403	5.9
257.15375	10.0
259.13330	2.8
269.18982	92.9
270.19366	4.1
271.16898	16.4
271.20425	4.4
273.18472	19.6
279.17398	6.8
287.19998	25.5
288.20480	1.5
297.18460	84.8
298.18802	4.2
315.19519	72.4
316.19849	5.1
333.20596	10.0
375.21613	45.4
375.26404	2.3
376.21994	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	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23811	1.0
53.03951	1.8
55.01863	2.5
57.03440	1.3
60.75306	1.2
67.05514	2.1
67.63705	1.1
69.03429	1.6
69.78020	1.0
70.74604	3.8
77.06152	1.1
79.05480	9.9
81.07063	3.0
81.28848	1.2
82.06565	1.5
84.08154	1.4
91.05479	13.4
93.07030	3.4
95.04984	4.5
97.06545	1.3
98.20911	1.5
98.60607	1.1
103.05473	7.6
105.07026	21.8
107.04954	22.5
107.08582	1.5
109.06541	1.2
114.92957	1.2
115.05442	14.4
116.06238	1.6
117.07022	14.0
118.04162	1.8
119.04944	4.7
119.08578	3.6
121.06496	6.9
121.10151	1.3
123.04420	3.4
123.08078	2.0
125.05997	2.1
128.06223	11.4
129.06989	2.9
131.04919	4.4
131.08543	3.8
132.05690	4.0
133.06496	15.1
135.04372	1.5
135.08064	4.5
137.05975	7.9
143.04903	3.4
143.08565	12.7
145.06499	16.2
145.07632	1.7
145.10098	3.3
146.07278	8.9
147.04404	4.2
147.08047	7.1
148.05144	1.2
149.05977	3.0
149.09586	1.1
150.06725	1.6
151.07535	11.8
153.05453	3.6
153.06943	1.1
157.06488	1.5
159.08012	2.1
160.05202	4.5
160.08801	3.5
161.05997	11.6
161.09671	8.7
162.06740	10.8
163.03889	10.4
163.07530	15.1
165.09143	3.4
166.06250	2.6
167.07030	23.1
168.07353	1.5
170.72293	1.1
171.08035	12.6
172.08727	1.7
173.05957	2.7
173.09676	1.4
174.06799	2.0
175.07544	100.0
175.11148	15.6
176.07954	2.1
177.09085	10.9
178.06282	16.8
179.06989	3.7
179.10712	2.3
181.05028	2.0
181.08603	23.6
185.09605	2.2
187.07568	2.6
188.08369	12.5
189.09052	2.6
191.07127	1.2
191.10680	3.4
193.08603	35.1
194.07697	1.1
194.09351	7.6
195.10168	20.2
196.10518	1.1
203.10667	71.6
204.11058	2.9
207.10126	1.7
221.11707	36.0
222.12067	1.7
223.07416	1.6
225.09081	1.5
235.07547	2.0
236.08173	1.6
237.09128	1.7
239.21060	1.4
253.08536	1.4
254.09338	1.5
265.08740	2.9
265.12354	1.2
267.10364	1.6
282.08725	1.3
293.11621	1.4
329.13937	7.4
331.15314	1.5
357.16867	2.1
375.17950	11.8
375.21991	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01853	0.9
57.03423	0.7
59.55970	0.2
61.02904	0.5
68.99778	0.2
69.03422	2.4
71.04990	0.3
71.10806	0.5
72.08119	0.4
73.02904	0.6
81.03416	2.8
85.02414	0.3
85.02899	4.4
85.03413	0.3
86.09689	0.5
87.00820	2.2
89.03897	0.2
97.02883	1.6
99.04452	1.1
105.01852	0.9
109.02870	2.4
117.01886	0.2
127.03903	100.0
128.04242	0.8
129.01863	0.4
135.04431	0.5
144.75867	0.2
145.02805	0.4
145.04999	1.0
147.02861	0.2
159.02853	1.3
163.03925	1.2
164.04260	0.4
172.35669	0.2
213.12346	0.4
231.05008	0.4
379.79315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54377	0.8
55.01873	1.1
58.06596	6.6
61.35130	0.7
62.43257	0.7
62.53930	0.8
67.05484	2.1
69.03423	2.0
70.06588	2.7
70.56212	2.4
71.04987	0.9
79.05492	3.6
81.03402	3.2
81.07049	2.1
82.06585	7.5
83.04965	0.9
84.08125	3.0
85.02880	1.3
89.12794	0.9
91.05462	4.1
93.07035	1.6
95.04975	1.0
95.08575	0.9
97.02866	1.7
97.06488	1.1
98.20684	0.9
99.04441	2.6
103.05445	2.8
105.07022	12.9
107.05006	1.6
107.08570	1.3
109.02879	3.1
109.10179	0.9
115.05460	3.7
117.07016	3.8
119.04925	2.0
119.08585	1.0
121.06474	2.2
123.04407	2.1
123.08051	3.2
124.05217	0.9
127.03910	4.2
128.06227	1.7
131.04889	1.4
131.08598	1.5
131.55795	0.8
133.06488	10.6
133.10143	1.0
135.08070	1.5
137.05954	2.5
141.07013	1.0
143.08563	1.4
144.60028	1.0
145.06418	1.3
149.09612	1.9
151.07549	12.3
153.06953	0.9
159.11673	1.2
160.05180	1.1
160.79633	0.9
161.05991	8.4
162.06769	3.2
163.03934	0.9
165.77345	0.8
167.07040	14.1
168.07355	1.3
171.08122	1.1
173.02415	0.8
173.13234	1.2
175.07535	3.5
177.09102	100.0
178.06366	1.2
178.09419	3.5
181.08495	1.1
187.11067	1.2
193.08611	40.0
194.08974	1.2
195.10143	7.7
201.12755	1.5
203.10686	1.2
205.06517	0.9
213.05164	0.8
221.11743	5.0
229.12305	1.1
238.04871	0.9
255.06499	1.4
256.06891	2.9
315.08255	1.1
330.10553	4.7
375.16180	3.2
376.17584	1.4
376.21204	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	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.0
55.05502	37.3
58.06573	16.2
64.20438	12.4
67.05496	100.0
69.07067	28.2
71.04984	64.2
71.64331	14.2
71.64722	18.4
73.91292	13.6
79.05495	56.9
80.36687	16.4
81.07059	88.6
83.08601	17.6
91.05474	50.9
93.07043	60.8
94.60900	13.4
94.96007	11.5
95.04977	17.8
95.08611	55.2
97.06550	25.0
97.10172	34.3
105.07037	56.4
107.04935	16.6
107.08586	81.5
109.10158	59.8
119.04852	13.6
119.08536	27.5
121.10135	28.5
123.11750	15.0
125.09634	18.8
131.08589	26.8
133.10138	24.8
135.11711	26.1
145.10072	30.0
147.11639	13.2
149.09555	17.2
157.10146	22.8
159.11700	45.2
166.61923	14.2
169.10179	13.7
173.11705	80.9
177.12723	32.4
187.13313	53.9
193.08589	18.1
194.09280	17.3
203.12828	40.6
209.13292	14.4
209.15381	20.3
241.18140	30.1
275.20084	51.8
375.26575	14.2
388.18546	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	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
58.06602	7.1
66.98154	0.3
69.03401	0.5
70.06574	0.5
70.67384	0.6
70.67774	0.7
72.08114	1.1
75.45885	0.3
79.05479	0.4
81.03411	0.6
85.02901	1.6
86.09683	0.6
87.00842	0.4
91.05468	0.5
95.04929	0.5
97.02866	0.7
99.04397	0.3
105.01873	0.4
105.06994	0.4
113.16943	0.3
115.05493	0.4
121.83326	0.3
127.03899	1.0
128.06250	0.8
129.06958	0.3
137.05951	0.7
141.06975	0.8
143.08542	0.4
145.05029	0.8
147.04375	0.4
151.03906	0.7
152.06200	0.6
153.06955	0.9
155.08524	0.4
159.02882	0.4
165.06976	0.9
166.51154	0.4
167.07047	0.6
168.05695	1.2
169.06494	0.8
171.08018	1.3
175.07515	0.4
177.08987	0.5
178.07750	0.6
179.08542	0.6
181.06416	0.7
183.08072	0.4
184.05186	1.4
185.06001	0.5
192.05704	0.3
193.06512	0.7
194.07219	0.6
195.04395	1.2
195.08012	0.4
196.05193	1.0
197.05934	1.1
199.07552	1.7
203.06903	0.3
205.06406	0.4
206.07318	0.3
209.06001	1.0
210.06746	1.0
211.03867	0.6
211.07333	0.5
212.04718	4.1
213.05473	3.0
216.04353	0.8
220.05217	0.7
221.05971	0.6
223.04002	2.1
223.07472	0.6
225.05452	0.6
225.09059	0.6
226.06274	0.8
227.03406	5.2
227.06973	3.8
228.07669	0.4
231.04965	0.4
236.04655	1.6
237.05418	1.8
238.06174	1.5
240.04163	2.0
241.04950	3.6
241.08525	0.5
243.10187	1.2
251.07002	1.6
252.07845	1.8
253.04945	0.5
253.08609	1.5
254.05728	6.0
255.06523	65.0
256.07034	1.9
269.08066	0.6
279.06506	0.8
296.06848	0.5
297.07562	2.1
298.08331	0.3
311.09146	3.4
314.07837	18.7
315.08234	1.1
325.61215	0.3
329.10196	100.0
330.10559	3.4
374.16003	19.5
375.16443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
55.13639	0.2
56.05031	0.7
57.03427	0.4
58.06599	100.0
59.06914	0.5
63.17803	0.3
66.80602	0.3
69.03417	0.6
69.07053	0.7
70.06586	2.7
71.63301	0.4
72.08137	1.3
81.07049	0.4
83.04959	0.8
84.04480	1.0
84.08135	0.9
85.02887	0.8
86.09703	3.8
87.10030	0.9
91.05466	0.8
93.07043	0.5
95.04987	0.5
103.05459	0.4
107.04887	0.3
116.07018	0.3
127.03896	0.4
137.05911	0.4
153.06935	0.4
155.10596	0.4
158.13626	0.3
162.07652	0.4
163.03868	0.4
165.07001	0.5
167.07045	0.7
168.07838	0.5
169.06421	0.3
181.06432	0.3
190.12532	0.3
193.06494	0.6
194.16315	0.3
197.05870	0.3
209.05977	0.8
212.10475	0.5
212.12825	0.4
221.06009	0.5
226.06313	0.3
235.07538	0.9
238.06117	0.5
241.08722	0.5
243.06453	0.4
249.09116	0.4
251.07008	0.4
253.08545	1.4
263.07056	0.6
265.08569	0.6
269.08099	1.3
271.05948	0.4
279.06583	0.3
281.08066	1.6
283.09451	0.6
296.10376	1.5
297.07468	0.5
311.09015	0.5
326.13837	0.7
327.14633	1.3
329.10001	0.7
341.16202	25.9
342.13144	0.5
342.16690	0.7
356.14877	1.1
374.15863	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	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01865	1.0
56.96566	0.8
57.03404	0.8
58.06580	2.5
60.11248	0.6
60.43896	0.7
60.75193	0.7
61.02908	1.8
65.03916	0.7
67.05505	0.9
69.03432	3.6
69.07059	1.1
70.06583	3.4
70.95547	1.6
71.04990	1.2
72.08143	0.6
73.02908	0.8
81.03400	2.6
81.07027	0.8
84.04514	1.0
84.08114	1.5
85.02897	15.0
86.09692	1.6
89.03889	4.4
91.03921	0.9
91.05465	1.5
95.08575	0.8
96.19680	0.6
97.02890	4.1
99.04445	1.2
103.05440	1.0
105.00101	0.6
105.06982	0.8
107.04954	1.0
113.95573	0.6
115.03943	0.6
117.03365	11.8
119.18599	0.6
127.03892	3.2
134.03616	1.5
135.04395	3.3
137.06042	0.6
145.02835	36.3
145.04935	3.6
146.03127	1.1
147.04411	1.9
149.05963	6.5
163.03899	4.7
168.53110	0.6
177.05458	100.0
178.05827	2.4
180.08659	1.6
186.05470	0.8
195.06512	45.2
196.06790	1.3
201.04314	1.7
217.07495	3.0
219.05452	1.8
243.05313	0.7
289.09534	0.9
374.15964	2.0
375.10217	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55767	0.9
53.03940	2.2
53.81201	1.0
54.16767	0.9
55.01867	5.9
57.03424	3.4
58.06602	4.9
61.02906	3.6
65.03918	2.4
68.99767	1.3
69.03069	1.3
69.03428	17.0
70.93004	2.3
70.93355	0.9
71.04975	3.1
73.02902	4.4
81.03413	12.5
81.38719	1.0
84.04485	1.8
85.02901	64.7
85.99451	1.1
86.09689	6.5
87.00827	19.2
87.04432	0.9
91.05479	100.0
92.05791	1.3
97.02888	16.8
99.04449	8.1
103.03959	1.4
103.87224	1.0
105.01862	31.0
105.07021	1.7
108.04477	1.5
109.02131	1.1
109.02868	21.8
117.01836	1.8
126.05469	1.1
127.03911	47.0
129.01799	2.7
129.07005	2.0
132.10199	2.5
133.06511	2.0
145.04947	23.1
145.06244	1.7
147.02864	2.6
157.06543	2.3
159.02853	8.2
168.72476	0.9
171.02754	1.1
171.08051	1.2
175.07466	1.5
189.03976	3.1
189.83528	0.9
199.07513	4.2
213.03940	2.8
215.13887	1.7
217.08681	1.4
231.05026	18.1
249.06032	6.3
374.15668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.5
58.06567	2.2
59.03777	1.2
67.05491	3.0
69.03413	5.2
69.07059	3.3
69.52991	8.9
69.53413	2.9
71.04964	2.7
72.08144	1.6
79.05477	3.4
81.03425	1.8
81.07050	13.2
85.02896	10.5
91.05455	5.0
93.07026	7.4
95.08604	14.9
95.09177	1.9
97.02872	5.0
97.06495	2.1
98.20764	2.8
99.08065	2.7
103.05446	1.7
105.07000	13.2
107.04939	1.5
107.08584	9.2
108.19658	1.1
109.10158	4.0
111.95885	1.3
113.09684	2.3
117.50896	1.3
119.08577	52.0
119.38607	1.2
123.11687	2.2
127.03911	2.1
131.08583	1.9
133.10126	61.3
134.10416	1.6
135.11685	13.4
136.07588	1.9
137.06017	3.1
137.09589	1.7
145.04913	3.4
147.11679	3.7
149.05954	1.8
151.03935	3.2
163.07539	1.7
167.07034	3.0
175.07562	1.4
175.14818	100.0
176.15134	3.5
187.07590	3.2
193.15894	10.6
197.05885	1.3
200.04633	1.7
211.16927	4.5
215.07033	2.7
328.08951	1.6
341.14026	3.2
373.12723	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	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.43863	1.0
55.01853	2.3
55.05262	1.2
55.05507	15.2
56.05018	3.2
57.03417	4.1
57.07051	1.6
58.06603	9.0
59.05002	6.8
61.02918	2.3
67.05231	0.9
67.05505	11.5
69.03422	27.0
69.07059	13.9
70.02930	1.1
70.06593	7.8
71.01342	1.8
71.04642	1.1
71.04988	8.2
71.64223	1.8
72.08152	14.8
79.05491	6.2
81.03419	8.0
81.06577	1.3
81.07053	17.5
83.04977	71.0
83.08613	4.0
84.04489	2.2
84.08140	100.0
85.02417	2.0
85.02902	31.1
85.06516	3.0
86.09699	24.2
88.03960	1.8
91.05465	4.4
93.07024	11.0
95.04941	5.0
95.08604	17.8
96.08119	1.3
97.02888	6.7
97.06520	4.1
99.04439	8.8
99.08092	1.6
101.10767	4.3
103.03924	1.4
105.07045	6.3
107.04938	2.1
107.08582	10.0
107.46194	1.1
109.02861	4.4
109.06522	7.6
109.09435	2.1
109.10155	24.7
111.08080	5.0
113.06015	1.8
115.03920	10.8
115.05438	1.2
119.04942	1.7
119.08578	15.8
121.06528	2.3
121.10120	6.2
123.04430	2.0
123.08044	3.3
123.11709	6.0
125.05978	1.5
125.09650	4.9
127.03925	13.8
129.10234	66.1
131.04939	1.2
131.08574	1.3
133.10129	16.6
135.08051	2.3
135.11694	15.9
137.05952	4.5
137.09605	24.0
137.13228	1.9
138.22853	1.2
139.17450	1.3
140.04620	1.3
145.02855	4.3
145.04967	4.6
145.06458	2.7
145.10130	1.5
147.04359	1.1
147.11647	2.3
149.05983	1.5
149.13235	2.6
151.07439	1.3
151.11162	4.0
152.14333	2.6
153.09094	2.5
155.07011	5.8
155.10657	33.4
156.11067	1.5
157.13353	2.7
159.08035	1.4
159.11719	1.5
161.06042	1.4
161.09348	1.4
163.07549	1.5
165.12794	2.1
167.07088	1.4
173.05984	1.8
173.13225	2.4
175.14818	23.8
177.05486	9.7
181.04988	1.5
181.08733	1.4
185.12881	3.7
189.12398	2.8
191.07004	2.7
193.12106	1.8
193.15866	50.8
194.16159	2.2
195.06528	6.0
195.08220	1.2
197.16454	6.9
199.18144	2.4
203.05243	3.9
211.16844	1.4
224.17532	2.8
224.31708	1.2
225.16173	1.7
242.18506	7.4
245.18593	2.6
260.19702	3.4
269.08026	1.3
269.10519	1.5
271.08472	1.2
293.08182	1.3
299.08057	1.9
299.15070	2.7
300.08551	4.7
313.10724	1.4
313.59891	1.1
314.10379	6.8
315.10764	1.5
337.20358	1.5
355.26840	2.1
359.09891	2.2
373.14716	3.6
373.18323	82.5
373.28018	22.0
374.11996	8.8
374.19159	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14248	1.5
53.03935	7.0
55.05510	11.8
57.03188	2.0
57.03439	22.2
59.04998	2.9
61.02914	1.6
62.73310	1.3
65.03934	2.3
66.10812	1.7
67.05503	63.9
69.03428	45.2
69.07038	1.6
71.04985	10.1
71.64780	3.0
73.02905	2.2
79.05492	3.1
81.03416	45.6
81.07065	11.4
83.04982	19.2
83.08637	8.1
85.02902	17.7
85.06544	2.3
87.04469	2.1
91.05466	8.5
93.07041	5.4
95.04984	2.2
95.08585	6.9
97.02901	23.4
97.10159	4.1
99.04446	7.4
105.07008	3.3
107.08605	4.9
109.02861	11.5
109.10159	59.4
111.04410	9.8
111.08100	2.7
119.08561	7.7
125.09636	5.5
127.03918	21.4
129.05486	6.4
131.08565	1.9
133.10136	2.4
137.09607	6.6
149.09686	1.9
155.10678	6.7
173.04510	4.9
173.11743	54.1
189.11301	8.3
204.72789	1.6
209.11702	4.1
229.14357	10.5
296.52316	1.6
299.11859	2.2
299.14853	11.1
373.18579	100.0
374.18970	4.8
383.57230	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30839	5.8
53.16690	6.5
55.05498	10.5
57.03389	6.3
58.06614	7.5
67.05492	19.4
69.03442	9.1
69.07053	22.4
70.99375	19.9
75.79816	6.8
81.07040	25.2
83.04911	6.8
83.08681	7.1
83.76054	6.7
85.02876	9.3
90.00653	6.2
91.05430	8.2
95.08629	39.6
96.57110	6.3
97.06491	7.7
98.08755	7.1
105.07018	15.6
107.04938	9.2
107.08549	18.3
108.25114	6.5
109.10156	100.0
115.68455	6.9
119.08579	41.5
121.10141	8.5
123.08059	14.4
123.11678	8.1
133.10127	18.9
135.11682	97.7
137.05983	8.8
137.09569	11.3
149.13226	6.9
151.14809	11.7
152.06250	10.0
152.08315	7.5
152.27391	6.2
160.05183	10.7
161.05981	16.4
161.65196	6.6
167.07126	13.7
167.08537	26.8
175.14857	35.6
181.06454	13.9
185.04160	7.2
189.09073	8.6
193.15866	66.9
195.08078	49.3
197.06018	10.4
198.06929	8.2
199.07480	11.9
211.16946	58.7
213.05446	10.3
213.09071	39.5
223.07634	13.4
241.08562	46.6
305.04343	7.4
329.10025	7.8
341.13943	7.0
356.15079	7.9
373.12894	21.2
373.20898	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01867	1.2
55.05502	1.4
57.03431	1.2
65.03934	2.0
67.05495	11.0
69.03413	3.6
69.07060	4.5
71.69690	0.8
78.04708	2.7
79.05492	12.9
81.03417	3.2
81.07047	2.2
83.04971	2.0
85.02917	1.9
91.05479	14.9
93.07040	3.2
93.19810	0.9
95.04967	18.3
97.02869	1.3
97.06528	18.1
99.04429	1.1
103.05463	2.6
105.07034	1.7
106.04179	2.1
107.04960	16.7
107.08643	0.9
109.02882	1.1
109.06525	1.0
109.10142	2.5
115.05463	6.1
116.06245	6.4
117.06984	1.9
119.08568	1.2
121.06517	3.9
121.46931	1.0
123.04435	7.4
124.05238	6.3
125.06005	2.7
127.03935	1.1
128.06203	3.5
129.06993	16.8
131.08560	32.3
133.06429	1.0
137.05957	3.5
141.06987	8.7
143.04857	1.0
144.05688	17.0
145.06467	3.5
147.11638	1.1
149.06004	2.3
151.03893	2.8
152.04671	3.3
157.06549	2.1
157.09991	1.3
159.08047	61.1
160.08350	1.1
161.05988	2.4
166.06250	1.1
167.07040	100.0
168.07294	1.3
169.07643	7.4
171.08051	1.0
172.05188	2.1
173.09760	0.9
173.11722	2.9
175.07529	4.3
181.08568	16.0
181.10001	1.8
187.07536	76.5
188.07814	1.8
189.09138	2.2
190.06282	1.2
191.06944	1.6
195.08113	2.3
199.07481	2.5
204.07819	1.2
205.08624	3.1
206.09346	1.3
207.10147	1.6
213.09033	2.2
219.08032	2.1
219.10159	34.9
229.28096	1.0
231.10112	1.2
241.08517	1.3
259.09521	2.6
283.13312	1.2
305.10217	3.1
313.14319	2.5
327.15930	2.2
341.13721	2.1
355.15320	9.6
373.16104	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	373.1642
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
53.03931	1.7
55.01855	0.9
55.05519	0.7
61.31913	0.6
65.03933	1.7
66.57140	0.6
67.05501	7.4
69.03432	0.7
69.07065	1.2
70.90997	1.4
70.91340	0.9
77.03946	0.6
78.04704	2.7
79.05484	9.8
81.03398	1.1
81.07062	1.1
91.05473	12.3
93.04339	0.6
93.07045	2.8
95.04958	13.3
97.06528	13.6
103.05452	2.1
105.04535	0.7
105.07026	1.6
106.04175	1.3
107.04944	17.5
109.06531	0.7
115.05446	6.6
116.06244	5.7
117.07012	1.8
119.08577	1.1
121.06527	3.9
123.04424	7.8
124.05198	5.1
125.05969	2.4
128.06213	4.0
129.06036	1.1
129.06984	17.5
129.07889	1.3
131.04973	0.8
131.08556	33.8
133.06447	1.0
134.03615	1.2
135.04436	0.9
135.83112	0.6
137.05963	2.1
141.06973	8.1
142.07678	0.6
144.04536	0.9
144.05695	18.7
145.06438	2.4
147.04343	0.6
149.05948	1.7
151.03891	1.7
152.04680	2.5
152.05803	0.6
157.06409	1.6
159.08046	58.3
160.08362	1.3
161.05948	1.3
163.03911	0.9
166.06218	2.2
167.07033	100.0
168.07356	2.0
169.07625	6.2
172.05196	3.0
173.05942	1.1
175.07582	3.7
181.08574	17.6
181.10168	0.9
185.05885	0.9
186.06779	0.8
187.07535	80.7
188.07941	1.3
189.05531	0.8
189.09106	1.5
190.06216	1.3
191.06956	0.7
195.08055	1.2
198.11504	0.6
199.07542	1.3
201.09193	0.7
204.07782	2.1
205.08525	4.2
207.10159	1.7
209.09584	0.9
213.09073	1.6
219.10153	33.9
220.10524	0.9
223.07622	0.7
241.12250	1.2
259.09604	0.9
267.16168	0.7
281.11591	0.7
305.10257	1.6
309.14935	0.7
311.12759	1.3
311.16089	0.7
313.10733	1.2
313.14203	1.7
327.15738	1.0
341.13824	1.7
355.15390	7.4
373.16495	11.8
374.16827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61442	0.7
52.03171	0.6
52.92682	0.6
53.03939	1.5
57.33942	0.7
57.81862	0.6
59.57794	0.7
67.05482	1.0
69.47698	5.2
69.48115	2.1
71.63139	0.6
74.22384	0.8
76.04023	0.7
78.04694	1.2
78.30179	0.7
79.05491	6.2
80.19723	0.7
81.03389	0.8
81.07059	1.5
82.20705	0.6
90.66750	0.7
91.05476	11.8
93.07036	2.0
95.04955	3.1
95.08568	0.7
97.06522	1.4
103.05451	2.2
105.07009	1.4
106.04147	2.3
106.16280	0.7
107.04954	18.4
115.05438	5.5
116.06219	6.3
117.03290	0.7
117.07001	1.9
119.04968	0.9
119.08479	0.7
121.06492	2.5
123.04456	6.6
124.05230	4.7
128.06218	2.6
129.06996	13.0
130.07329	0.8
131.04933	1.7
131.08562	28.9
133.06503	1.1
135.08017	1.3
137.05978	3.1
141.06992	7.4
143.08565	0.7
144.05692	15.3
145.06456	2.4
146.07320	0.9
149.05963	1.2
151.03897	2.1
152.04666	2.6
158.07245	0.9
159.08046	46.0
160.08446	0.8
161.06013	1.3
163.07556	6.0
166.06226	1.7
167.07033	100.0
168.07352	1.7
169.07626	5.1
172.05193	3.4
173.05969	1.7
175.07524	2.7
181.08598	12.8
187.07538	78.9
188.07906	2.9
189.08989	0.8
195.10168	1.6
204.07802	2.4
205.08617	3.2
206.09346	0.9
207.10158	1.7
219.10141	27.4
220.10512	1.0
325.13953	0.8
341.13977	1.7
355.15424	1.4
373.16388	6.8
373.21109	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1645
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
53.03953	2.0
53.91624	1.0
55.01866	2.8
57.03424	3.4
65.03888	1.0
67.05495	4.6
69.03448	1.3
79.05496	10.4
81.07056	1.9
91.05476	22.3
93.07041	9.0
94.85546	1.1
95.04963	5.4
95.08620	1.6
98.20771	2.3
103.05465	12.2
105.07037	29.2
107.04955	23.1
108.05775	1.7
109.03938	1.1
109.10147	2.1
115.05441	4.9
116.06225	2.0
117.07031	1.8
118.04151	2.5
119.04947	20.8
120.05724	2.3
121.06501	15.9
123.04419	5.0
123.08076	8.1
129.00084	1.3
131.04904	3.4
131.08594	1.3
133.02806	1.1
133.06490	15.6
134.07271	1.7
135.04414	1.8
135.08026	9.7
136.05183	1.4
137.05949	2.5
137.81488	1.1
138.91988	1.0
147.04407	7.0
148.05171	1.7
149.05962	4.8
150.06822	1.6
151.07549	44.4
153.05455	3.5
157.10078	1.4
159.08087	2.7
161.05963	3.8
162.06798	1.5
163.03918	1.7
163.07545	11.3
165.09093	3.2
167.07042	27.6
173.09662	1.4
177.05472	13.5
177.09163	1.5
179.07037	100.0
180.07466	1.9
181.08591	6.5
181.09969	1.2
187.07571	6.3
192.07408	1.2
193.06851	1.5
193.08612	28.9
194.09380	36.0
195.10207	5.3
198.12769	1.1
201.09161	3.0
201.78607	1.2
205.08617	40.8
205.88535	1.2
209.07983	5.7
219.10182	9.0
341.32831	1.3
373.16528	1.2
373.25137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	18.3
58.11798	4.1
61.02951	4.0
67.15198	4.1
69.03416	9.2
70.09110	21.8
70.98113	4.8
85.02889	14.0
88.99162	4.9
97.02884	9.4
98.97575	11.4
110.03825	4.1
111.27243	3.8
116.98643	5.2
127.03913	13.2
129.08900	4.1
132.49446	3.8
144.35686	3.9
163.03911	12.2
199.02698	4.3
201.00632	6.0
215.02260	8.5
219.01555	3.7
233.03334	16.7
257.03244	4.4
287.04404	4.6
373.05350	100.0
373.10056	5.5
374.05722	4.3
388.09363	4.3
389.56177	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	373.1644
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
53.03943	3.0
53.41476	1.1
55.01878	2.3
55.05513	1.5
57.03419	2.2
65.03942	2.0
67.05501	4.7
68.05029	1.7
71.65633	1.9
79.05491	12.7
81.07055	1.6
85.02896	1.3
91.05478	25.9
93.07031	7.8
95.04980	5.2
95.08602	1.6
96.99634	1.3
98.79073	1.2
101.49825	1.5
103.05465	16.8
105.07027	33.2
107.04951	27.6
108.05782	2.9
109.07633	3.1
115.05427	6.0
117.06992	3.3
118.04201	1.9
119.01919	1.9
119.04937	25.7
121.06504	13.8
123.04420	4.1
123.08064	9.4
129.07016	2.7
130.07726	1.5
131.04958	4.3
131.08577	2.0
132.05693	1.8
133.02875	2.7
133.06488	18.2
134.07285	1.2
135.08054	9.8
136.05202	1.5
137.05983	2.9
143.08572	3.0
144.05621	1.4
145.06505	1.4
147.04387	8.2
148.05164	3.2
149.05972	5.4
150.06726	1.3
151.07542	43.3
153.05482	2.5
153.06606	7.8
157.10098	2.2
158.07268	1.5
159.08052	2.0
161.06003	3.9
163.03925	1.7
163.07518	14.4
165.05492	1.3
165.09122	1.8
167.07034	31.0
167.08403	2.2
173.09657	2.5
177.05473	17.1
177.09163	1.6
178.06233	1.6
179.07030	100.0
180.07492	1.5
181.08583	6.8
185.13216	1.8
187.07455	8.0
193.08589	27.8
194.09378	39.0
195.10156	5.1
197.11385	1.2
201.09099	4.3
205.08588	38.7
206.08983	1.2
209.08138	4.2
213.12782	2.3
219.10086	12.4
231.81078	1.1
233.11740	1.5
287.15094	1.5
373.16470	1.9
373.21118	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	372.1439
Annotation	Papaverrubine D
Peak:m/z	Relative Intensity
56.05040	0.9
58.06598	100.0
59.06940	1.4
59.84384	0.5
67.05537	0.6
69.03427	0.7
69.07030	0.6
69.59960	4.5
70.06574	1.3
72.08147	0.6
81.07031	0.8
85.02926	1.5
86.09705	3.1
89.06007	0.9
91.05435	0.7
95.04977	1.0
115.05552	0.6
121.02874	2.5
125.09625	0.7
133.10100	0.8
137.06036	0.8
137.09596	0.8
153.07047	0.8
155.08580	0.8
159.08078	0.6
165.07022	1.0
165.75360	0.6
167.39346	0.6
168.05815	0.9
169.06587	0.6
174.13545	0.9
180.53029	0.7
181.06490	1.4
183.08069	2.2
184.05150	0.8
187.07622	0.8
191.14410	0.6
192.14697	2.2
196.05263	1.4
197.06046	0.8
200.04826	0.6
209.05997	0.9
209.15459	1.3
210.15724	1.9
210.55763	0.5
211.04082	0.6
211.07613	3.5
212.04732	1.6
212.08356	2.4
213.05519	0.9
223.07565	2.0
225.05479	1.1
227.07072	3.9
239.07019	10.1
240.07747	2.8
241.05045	4.6
252.04300	0.8
255.06540	3.9
255.10283	0.7
256.07294	3.6
267.06512	11.1
269.04590	0.8
271.09634	6.0
284.06772	3.6
299.09106	6.9
309.07532	0.9
327.08499	4.4
372.14410	43.8
373.14697	2.6
383.68375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	1.8
55.01859	0.9
55.05496	3.7
57.03419	2.5
57.07059	1.8
58.06346	0.9
58.06603	13.5
59.04982	0.9
61.02913	2.5
67.05492	2.2
69.03427	24.6
69.07058	4.2
70.06559	1.6
71.04990	1.8
71.63473	0.8
71.63866	1.0
72.08165	0.9
73.02891	1.9
73.04751	1.4
79.05477	3.4
81.03041	0.7
81.03417	6.7
81.07045	4.6
82.56297	0.7
83.04972	10.3
83.08600	2.2
84.08099	1.0
85.02899	30.7
85.06519	2.9
86.09690	2.4
87.04454	2.0
91.03919	1.1
91.05421	2.5
91.05807	2.7
93.07029	4.7
95.04946	2.7
95.08128	0.7
95.08611	7.4
97.02897	5.8
97.06525	1.4
99.04437	3.2
99.08057	1.6
105.07018	4.7
107.04964	1.3
107.08591	16.0
109.02872	2.0
109.06504	7.6
109.10177	3.7
109.88747	0.8
111.04436	1.1
111.08083	11.7
117.07043	0.7
117.82481	0.7
119.08595	4.1
121.02892	1.3
121.06480	1.5
121.10133	10.8
123.08041	3.5
123.11691	2.1
125.08749	1.1
125.09624	18.3
127.03919	8.1
129.24225	0.7
131.04910	1.2
131.08578	6.9
133.10130	8.4
135.08051	17.5
135.11693	5.7
137.05972	2.1
143.08514	2.1
145.04951	2.1
145.10106	4.4
147.11656	3.3
149.09613	13.8
149.13232	3.8
150.10388	3.2
151.11104	2.2
153.09073	6.2
158.10953	4.0
161.09624	2.1
163.03929	0.8
163.11179	6.2
163.14790	3.5
165.12787	1.5
167.07031	2.3
171.11617	1.0
173.13261	21.3
176.11931	2.5
191.14296	100.0
192.14615	3.8
203.14326	1.0
203.89247	0.7
209.04440	6.7
209.15358	86.6
210.15762	3.5
217.08586	1.0
254.17317	0.7
255.12111	1.4
261.09167	0.9
285.00854	1.6
292.05685	0.8
296.05676	1.0
309.07700	0.9
328.11804	1.6
335.18610	1.5
353.14505	1.0
353.19559	15.8
354.09735	2.7
354.19958	0.8
355.06979	1.2
371.16376	4.4
371.20633	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.51298	0.9
54.80671	1.0
55.01867	2.1
55.05503	4.0
57.03422	3.5
57.07072	3.1
58.06598	10.0
61.02942	1.0
61.61189	1.1
63.79904	1.0
65.03908	1.3
67.05494	5.3
69.03425	21.9
69.07050	4.8
70.06577	4.0
71.04960	1.8
71.64612	1.5
72.08138	1.0
73.04762	2.5
79.05500	6.1
81.03411	3.2
81.07053	8.3
83.04974	9.6
83.08618	2.9
84.04524	1.2
84.08122	2.5
85.02901	10.8
85.06536	4.7
86.09691	2.9
89.96812	1.3
91.05437	4.7
91.05854	3.5
93.07046	5.9
95.04954	4.1
95.08609	10.5
97.02875	4.7
97.06497	1.4
99.04443	3.5
100.07617	1.3
100.11248	1.7
102.05549	1.8
103.05445	2.6
105.07034	9.3
107.04945	3.2
107.08596	19.6
109.02869	1.3
109.06507	10.5
109.10146	2.6
111.04455	2.6
111.08074	8.4
114.07406	1.3
115.05428	1.6
117.07012	1.6
119.04929	1.6
119.08562	5.3
121.02843	1.5
121.06511	3.8
121.10138	11.4
122.03674	1.1
123.08053	4.0
123.11680	3.1
125.09625	38.6
125.10555	2.3
127.03922	5.4
128.06203	1.1
129.05511	1.4
129.06995	1.4
131.04919	4.7
131.08557	9.8
133.06511	2.2
133.10124	7.9
135.08047	17.0
135.11690	7.4
137.05972	10.4
137.09676	1.1
145.04819	1.2
145.06459	1.1
145.10115	4.4
147.04420	2.3
147.06627	1.5
147.08015	1.1
147.11688	4.8
149.08527	1.8
149.09619	12.4
149.13239	5.5
150.10442	1.8
151.03859	1.5
151.07584	3.3
151.11227	1.7
153.09105	11.4
156.05653	1.6
158.10902	3.7
159.08058	2.4
161.05984	3.0
161.09628	1.9
163.03838	1.7
163.07579	2.1
163.11157	6.4
163.14839	4.8
164.07065	1.1
165.12747	2.7
167.06995	7.5
167.10709	1.8
171.11632	1.4
173.13260	24.7
175.06238	1.9
175.07576	2.9
176.07132	2.0
176.11975	1.6
177.05411	1.9
177.07869	6.0
177.09224	1.8
180.10228	1.7
182.15369	2.3
187.07549	4.0
190.08650	13.7
191.07057	2.5
191.14305	87.4
192.07608	1.4
192.10193	31.7
192.14653	3.2
195.39648	1.3
209.15358	100.0
210.15498	3.7
217.08534	4.9
217.55078	1.0
218.07224	1.6
219.08028	1.1
221.09732	1.4
234.06693	1.2
235.07568	1.6
239.06958	1.8
241.08687	1.9
241.77541	1.1
244.37190	1.1
247.07448	1.4
247.09752	1.4
249.09074	1.4
261.09210	2.0
268.97983	1.3
279.10068	1.4
280.13214	2.4
281.11777	1.3
285.00925	2.9
295.09439	1.0
300.09756	1.2
308.12833	2.2
310.10941	2.1
316.15332	1.3
320.36880	1.2
324.12286	2.1
327.08636	1.8
328.15515	3.2
339.12076	1.4
340.15503	9.1
353.13773	2.2
353.19650	9.8
354.16888	2.9
355.07104	1.9
371.15964	3.8
371.20416	29.3
372.14270	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01872	5.0
57.02842	2.8
57.03413	2.7
58.06595	5.0
58.72334	2.4
65.03947	4.4
67.05495	6.7
69.03429	7.2
69.48045	14.6
69.48467	5.6
71.05009	3.6
72.12468	2.9
77.03896	2.4
78.16202	2.6
79.05487	14.8
79.62897	3.0
81.03422	4.3
81.07049	9.6
84.08122	2.6
85.02894	8.3
91.05434	17.4
93.07030	7.7
95.04976	6.1
95.08568	4.4
97.02918	6.8
99.04484	2.8
103.05501	3.6
105.07043	10.1
107.04956	29.0
109.06513	21.1
109.10146	2.9
111.04419	3.8
114.23990	2.2
115.05455	9.1
116.06250	3.4
117.07012	4.7
119.04948	3.9
119.08541	3.2
121.06479	6.5
121.10126	5.2
122.03657	11.5
123.04455	5.6
124.05170	3.3
125.05999	3.2
127.03895	4.2
128.06221	4.3
129.06981	16.4
131.04939	7.5
131.08591	14.0
132.05733	3.0
133.02876	3.8
133.06529	3.9
133.10147	11.6
135.11890	2.8
137.05980	100.0
138.06345	3.5
141.06995	5.5
144.05699	11.8
145.06476	7.4
147.04437	9.5
147.06516	3.1
149.05997	9.6
151.03864	5.1
151.07591	6.2
156.05708	24.2
157.06500	8.9
158.07259	4.4
159.08067	17.6
160.05255	2.9
161.06007	6.1
163.07547	4.8
163.11223	2.7
165.07053	4.7
167.07040	60.7
167.08429	4.8
169.06406	3.5
172.05159	5.1
173.05991	3.4
173.13275	3.8
174.06787	6.9
175.07578	11.4
177.05493	9.6
178.07793	6.7
179.08485	3.1
181.05000	5.2
181.06454	4.9
181.08554	5.1
184.05200	4.1
187.07501	21.5
189.07059	5.0
189.09132	9.8
190.07727	4.5
191.07063	3.3
191.08556	2.8
191.14325	7.2
192.07889	4.4
193.08565	3.5
193.10156	3.5
198.06697	3.0
199.07715	3.8
202.06245	8.3
202.07962	3.7
203.06912	3.3
203.08586	8.5
204.07755	3.7
205.06587	4.1
205.08430	4.9
205.10143	4.2
206.07254	8.7
207.08061	5.0
211.07574	3.6
215.08629	6.5
217.06532	5.0
217.08591	76.4
217.10628	4.5
218.07246	17.6
218.09055	3.1
219.08044	8.0
219.10036	3.6
220.08823	4.1
221.09669	6.1
223.07597	3.3
224.04720	4.3
226.06345	6.1
227.07010	4.4
229.08403	3.1
231.07993	6.1
232.08856	8.5
233.06119	4.5
233.09665	16.3
234.06743	11.7
235.07579	15.5
237.09238	2.8
239.07016	14.7
240.07759	2.8
241.08617	18.6
246.06821	6.8
247.07413	6.6
247.09720	25.0
248.08354	7.5
249.09161	24.5
250.09749	7.5
251.07048	9.1
251.10878	4.4
252.07771	6.2
255.06471	3.3
257.08060	4.5
259.07663	3.1
260.08417	7.6
261.09073	28.5
262.06342	6.3
262.09814	6.8
263.07053	17.7
263.10580	5.1
264.07697	3.7
265.08502	12.5
266.09305	5.5
267.06601	3.6
267.09998	3.6
269.08102	9.7
275.10754	3.2
277.08600	19.5
278.09357	15.5
279.06625	5.8
279.09937	4.8
280.07504	5.7
280.10715	2.8
281.11716	8.8
283.05908	2.9
283.09537	5.5
285.07510	31.8
286.08112	3.9
289.08566	7.8
291.10269	4.9
293.08231	5.8
293.11719	22.1
294.08817	6.6
295.09766	6.0
300.09924	43.4
301.10632	15.9
306.08972	6.1
307.09729	7.3
309.11234	21.1
310.11923	2.8
311.09201	5.9
311.12698	3.1
313.10580	5.7
321.11203	35.2
322.11829	6.2
323.09079	7.2
326.11517	14.5
338.11465	6.1
339.12323	15.1
341.13669	13.9
353.13843	72.6
354.14127	4.8
371.14896	31.0
372.14398	5.8
383.22983	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40177	1.8
59.92650	2.1
67.05489	2.4
67.39006	1.8
68.79911	2.0
69.03424	2.1
69.07065	1.8
71.20670	4.0
72.68630	1.8
79.05499	11.6
81.07061	4.5
91.05463	8.0
94.04171	6.1
95.04963	3.8
97.06518	3.6
103.05463	2.8
107.04939	15.6
108.02081	2.1
109.06499	2.4
115.05453	3.5
116.06235	2.6
117.03436	2.2
117.07016	4.1
121.06516	2.0
122.03633	9.3
123.04448	3.0
124.05209	2.1
125.06012	3.7
128.06207	7.9
129.07014	11.9
131.04912	4.8
131.08542	10.6
133.02849	3.4
137.05971	100.0
141.06993	6.2
141.86642	1.8
144.05717	7.2
145.06454	6.6
149.05943	2.9
151.03915	4.1
151.07536	3.2
156.05699	20.3
157.06429	7.0
158.07256	3.9
159.08052	20.9
161.05981	3.6
165.05577	3.0
165.07021	2.8
167.07033	49.4
169.06439	2.7
172.05180	4.7
173.05940	3.4
174.06769	6.5
175.07513	12.8
177.05527	4.5
178.07831	2.0
181.06496	3.4
184.05148	6.0
185.05838	2.0
186.06805	4.9
187.07547	23.1
189.06956	4.2
189.09100	7.0
190.07788	5.8
191.07040	2.7
191.08623	3.8
198.06668	3.4
199.07507	2.2
201.09189	3.4
202.06181	5.5
202.07841	4.4
203.06911	2.7
203.08533	11.5
204.09308	2.4
205.06546	4.2
205.08598	8.0
205.10266	2.6
206.07202	6.8
207.08060	3.9
209.06084	3.3
211.07518	5.9
214.06198	2.5
215.06850	2.9
215.08569	5.3
217.08586	78.0
218.07245	13.8
219.08017	5.6
219.10141	5.1
220.08969	2.3
221.09610	9.0
223.07513	4.3
224.08414	2.7
225.05412	2.6
226.06232	7.4
229.08612	3.8
231.08034	10.6
232.08939	2.7
233.05959	3.2
233.09610	16.6
234.06821	10.3
234.10123	2.4
235.07475	14.9
236.08211	2.6
238.09872	3.6
239.07016	24.4
240.07661	2.5
241.08633	15.8
242.05724	4.8
246.06749	6.9
247.07451	7.4
247.09668	25.8
248.08144	5.4
249.09138	21.4
251.06995	6.3
251.10629	2.5
252.07854	11.3
255.06351	3.1
256.07324	2.2
257.08090	5.9
260.08337	4.9
261.09067	27.9
262.06296	5.4
262.09628	2.7
263.07043	12.5
263.10687	2.8
264.07840	4.0
265.08582	4.1
266.09314	8.4
267.10236	2.7
269.08142	9.6
270.08871	2.7
271.05960	7.3
274.06332	2.6
275.07239	2.3
275.10373	2.5
276.36218	2.3
277.08615	22.0
278.09308	18.1
279.06537	5.3
279.10092	5.4
280.07358	5.7
281.11768	7.4
283.09741	2.8
285.07590	54.1
286.08118	6.7
289.08582	9.7
291.06671	3.1
291.10138	6.3
292.07382	2.6
292.10828	5.1
293.04956	2.6
293.08276	5.2
293.11734	21.9
294.09109	4.1
295.09653	6.9
298.08279	4.0
300.09933	63.5
301.10626	19.6
305.07938	2.5
306.08884	7.0
307.09598	10.3
308.06848	3.8
309.11221	25.6
311.09085	3.6
313.10754	13.7
321.11194	42.3
322.11740	6.6
323.09052	6.8
325.10611	2.3
326.11426	19.3
327.11707	2.9
338.11459	8.3
339.12265	5.0
341.13718	13.3
343.15631	2.2
353.13828	64.0
354.14172	5.9
371.10471	2.7
371.14886	35.5
371.19089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.66505	2.5
59.14250	1.7
63.28700	1.7
65.03920	2.0
69.72750	13.7
71.04984	3.0
79.05466	8.5
81.07045	5.4
91.05466	10.4
94.04169	5.4
95.04950	3.4
97.06496	2.8
107.04948	19.4
109.06495	4.4
110.02606	1.8
115.05436	3.9
116.06210	3.5
117.07014	1.8
122.03646	10.6
128.06203	5.4
129.07021	12.6
131.04947	3.7
131.08565	11.7
133.02824	3.3
137.05968	100.0
138.06305	2.9
141.06970	7.0
143.04875	2.1
144.05670	9.9
145.06445	5.6
151.03831	3.5
151.07584	3.1
156.05708	23.9
157.06479	6.5
158.07297	2.7
159.08069	18.1
160.05161	2.5
161.06023	3.0
165.65936	1.8
167.07034	41.5
167.08420	3.9
169.06421	4.4
172.05203	4.0
173.06001	2.4
174.06781	6.1
175.07541	9.9
177.05449	7.5
178.07826	3.1
184.05112	5.1
186.06789	4.1
187.07559	21.2
189.06975	5.6
189.09091	9.5
190.07722	4.0
195.08087	3.0
196.05292	2.4
201.09039	2.2
202.06198	6.8
202.07872	4.1
203.08485	8.7
204.09331	2.1
205.06581	3.6
205.08569	6.6
205.10260	3.8
206.07193	6.2
207.08034	3.3
210.06738	2.3
211.07481	4.1
215.06956	6.0
215.08620	6.2
217.06496	3.7
217.08589	65.9
218.07156	13.0
218.08969	2.2
219.07997	5.4
219.10033	3.0
220.08661	2.8
221.09641	10.4
223.07475	4.2
224.08183	2.4
225.05573	2.3
226.06216	5.0
227.06947	4.7
231.08072	9.0
232.08841	4.6
233.09631	12.7
234.06737	12.4
235.07564	11.6
236.08330	3.3
237.05408	2.9
239.07025	23.1
240.07686	2.2
241.08607	18.3
242.05771	5.1
246.06694	6.8
247.07433	8.4
247.09663	24.8
248.08080	3.2
249.09135	24.2
250.09741	3.5
251.07051	6.6
252.07747	13.9
254.05359	2.4
257.08093	5.5
260.08267	5.8
261.09097	25.5
262.06299	5.3
262.09543	3.1
263.07022	14.5
263.10690	3.3
264.07693	5.1
265.08542	6.8
266.09311	6.4
267.09958	2.0
269.07980	9.8
271.05978	10.1
275.06851	2.3
277.08566	21.9
278.09338	15.7
279.06564	7.4
279.10095	5.6
280.07092	5.2
281.08133	2.3
281.11707	7.6
283.09552	4.7
285.07571	53.3
286.08148	5.1
289.08514	12.1
290.09213	3.1
291.06616	4.0
291.10083	4.2
292.07227	2.9
292.10547	2.7
293.08005	5.5
293.11673	23.0
294.08853	3.0
295.09579	6.0
298.08347	3.4
300.09918	67.1
301.10556	17.5
306.08835	8.1
307.09558	8.7
308.06918	2.9
308.10223	2.3
309.11194	21.5
311.09113	7.7
311.12643	3.1
313.10638	13.0
321.11182	32.6
322.11771	5.8
323.09100	9.1
326.11493	23.5
327.12018	2.3
338.11371	8.3
339.12305	8.8
341.13763	13.3
353.13824	57.4
354.14111	4.4
371.14944	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
56.85183	1.2
58.37896	1.1
67.05482	1.2
69.03445	1.3
70.96162	2.3
70.96504	3.1
71.04981	2.0
79.05486	9.1
81.07049	3.1
87.45518	1.2
91.05465	7.4
94.04186	4.4
95.04952	2.0
103.05453	2.5
107.04948	17.0
109.06538	3.6
111.04421	2.2
115.05431	3.4
116.06235	3.7
117.06984	2.5
119.04939	2.1
121.06469	2.7
122.03629	9.7
122.49404	1.1
123.04412	2.5
124.05194	3.6
125.05979	1.4
128.06210	5.7
129.06989	11.6
130.07790	1.6
131.04915	3.7
131.08562	9.0
133.02884	1.6
133.06519	2.6
133.92596	1.3
135.04474	1.7
137.05974	100.0
138.06291	2.5
141.06973	7.3
144.05685	9.9
145.06477	4.9
149.05917	2.8
151.03926	4.3
151.07498	4.5
152.04749	2.0
153.05522	2.2
156.05696	26.4
157.06482	6.6
158.07283	3.2
159.08054	19.9
160.05188	2.4
161.05952	2.5
163.03865	1.6
165.05484	2.6
165.66422	1.2
167.07043	41.2
169.06476	3.6
169.07712	2.5
172.05171	3.4
173.05995	4.3
174.06757	8.5
175.07544	11.8
177.05487	6.9
178.07780	5.5
179.06940	1.8
179.08531	1.9
180.05736	1.5
181.04950	1.5
181.06413	3.7
182.07385	1.7
184.05222	2.8
185.05994	1.5
186.06750	4.0
187.07553	20.9
188.08191	1.4
189.05421	2.1
189.07043	4.3
189.09114	9.7
190.06288	2.6
190.07779	6.0
191.08543	1.8
193.10130	1.6
195.06464	2.5
195.08110	2.4
196.05180	2.5
197.05849	2.1
198.06633	2.5
199.07611	1.5
200.08612	1.4
201.05386	1.2
201.09023	2.8
202.06209	5.7
202.07838	3.5
203.06850	2.0
203.08554	7.7
204.07790	1.8
205.06503	4.0
205.08594	5.0
205.10243	2.2
206.07201	5.8
207.08018	4.1
209.08061	2.0
210.06738	1.5
211.07541	5.0
214.06200	1.7
215.06807	2.9
215.08598	5.6
217.06743	2.3
217.08586	68.1
218.07233	9.5
218.08841	2.4
219.08006	7.9
219.10155	4.8
220.08688	2.4
221.09647	8.9
222.06650	1.4
223.07527	4.3
224.04689	2.7
224.08336	2.4
225.09001	1.9
226.06226	5.3
227.06955	2.3
229.08546	2.6
231.08057	8.2
232.08755	5.0
233.09587	14.3
234.06766	10.8
235.07533	15.0
236.08189	2.5
237.05508	3.4
237.09132	2.3
238.09955	3.5
239.07005	22.8
240.07838	2.8
241.08635	17.1
242.05684	6.3
245.05849	1.7
246.06738	5.6
247.07436	7.3
247.09680	24.6
248.08258	5.4
249.09100	21.6
250.06244	1.9
250.09787	4.6
251.07034	7.0
251.10658	2.1
252.07796	13.5
255.06570	1.6
256.03726	1.8
257.08029	6.6
259.07697	1.3
260.08371	6.3
261.09122	24.1
262.06256	4.8
262.09723	5.1
263.07050	11.2
263.10599	4.7
264.07675	2.7
265.08612	4.3
266.09354	6.0
267.10156	2.0
269.08167	9.0
270.08688	2.0
271.05933	7.5
274.06241	1.8
275.07071	2.0
275.10623	1.7
276.07800	3.5
277.08572	19.8
278.09326	15.0
279.06491	5.5
279.10065	4.3
280.07300	5.0
281.08557	2.0
281.11661	8.5
283.09567	2.2
285.07568	56.7
286.08136	7.1
288.07687	1.6
289.08563	10.3
290.09375	2.8
291.06473	3.8
291.10193	5.5
292.07343	3.0
292.10608	2.8
293.08075	5.3
293.11676	22.3
294.08932	3.5
295.09576	4.1
298.08313	2.0
300.09888	60.5
301.10608	20.9
306.08746	6.2
307.09595	10.5
308.06900	2.3
309.11240	20.1
310.11728	2.0
311.09177	3.1
311.12579	2.9
313.10782	14.4
314.11188	1.8
321.11230	35.3
322.11792	5.7
323.09161	7.3
325.10626	2.9
326.11420	17.5
327.12143	3.4
337.10626	2.1
338.11435	7.7
339.12387	6.0
341.13919	11.7
343.15518	1.5
353.13812	54.9
354.14044	3.9
371.14856	24.8
372.15491	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51156	1.0
53.07348	1.2
53.98967	1.1
59.18658	1.0
68.00922	1.0
69.94855	3.4
69.95274	3.9
76.71659	1.2
78.04697	3.0
79.05484	7.9
79.43680	1.1
81.07067	2.0
91.05464	5.4
95.04926	1.8
97.06540	1.4
100.34263	1.1
103.05475	2.2
105.07011	6.4
106.04189	2.0
107.04942	16.1
115.05448	2.8
117.07026	2.0
118.04157	1.7
119.08551	3.1
121.06535	1.3
122.03680	1.3
123.04414	4.8
124.05195	3.3
128.06252	3.6
129.07002	4.9
131.04948	3.3
132.05710	4.1
133.06456	4.4
137.05962	2.6
144.05713	1.5
147.04327	1.2
147.08040	3.1
151.03862	1.8
152.04695	3.4
153.05417	1.5
159.08058	6.4
160.05243	1.3
161.05988	8.2
164.18951	1.2
165.06868	1.2
167.07030	100.0
168.07410	2.1
171.08119	1.7
171.19968	1.1
172.05141	2.0
175.07550	27.7
177.05461	2.8
178.07788	2.0
179.08516	1.5
184.05208	2.1
187.07526	18.6
189.07010	2.4
189.09047	2.5
190.07735	2.6
191.06953	5.6
191.08508	1.4
197.03264	1.1
199.07536	7.3
203.08507	3.3
206.07292	2.3
207.07986	1.6
214.01578	1.3
215.08536	2.0
217.08592	1.7
218.07213	3.2
219.07916	2.6
219.98019	1.2
221.09496	3.2
221.51721	1.2
231.08069	3.3
233.09627	3.3
234.06747	2.3
235.07501	2.4
236.08018	1.5
246.06834	1.4
247.07539	2.9
248.08447	1.8
249.09090	5.7
250.09790	1.2
251.07062	2.2
251.10657	1.2
261.09048	3.1
263.06958	2.5
265.08575	1.6
266.09366	3.4
277.08618	3.5
278.09393	2.5
281.08954	1.6
281.11703	9.6
289.08615	3.3
293.08215	1.3
293.11594	2.3
295.09683	2.1
306.08624	2.5
307.09689	2.0
309.11121	12.1
310.11554	1.7
321.11188	6.9
322.11722	1.4
324.13565	5.2
325.10638	2.5
326.11118	2.7
339.12238	1.7
340.13217	2.6
341.13727	8.8
353.13785	4.5
355.15250	5.3
371.14899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01865	0.5
65.25480	0.5
67.05476	0.7
69.93974	2.8
79.05488	1.5
81.07021	0.7
91.05476	2.0
93.07024	1.1
94.32527	0.5
95.04983	0.7
97.02885	1.2
97.06512	0.7
98.21439	0.7
103.05484	2.4
104.06197	0.7
105.07021	1.5
106.04156	0.7
106.22569	0.5
107.04948	2.4
107.08590	1.0
115.05405	0.8
119.04922	1.3
119.08586	0.6
121.06485	1.4
128.06183	0.9
129.06973	1.1
131.04924	3.4
132.05724	2.6
137.06024	2.6
145.06487	1.1
147.04355	1.6
149.05969	0.7
156.05713	0.7
157.06459	0.8
159.04401	0.6
159.08075	1.1
160.05168	1.5
161.05951	1.3
165.05743	0.6
165.07002	1.9
165.09084	0.9
166.07767	1.1
167.07066	5.6
173.05844	0.5
175.07555	1.2
177.05482	2.4
178.07755	3.0
179.07098	0.7
179.08575	1.6
181.05089	0.7
181.06508	2.2
187.03909	1.2
187.07571	1.3
189.06975	1.0
190.07732	0.9
191.07010	2.7
191.08571	1.1
192.07831	6.2
193.06461	0.8
193.08488	0.6
193.10097	0.7
194.07301	3.9
195.08014	1.8
196.08797	0.7
203.08455	1.4
205.06534	2.1
206.07266	3.5
207.08095	3.7
209.06001	1.2
209.09671	0.8
210.06757	0.6
211.07544	1.1
215.08572	1.1
217.06631	0.6
217.08618	1.7
218.07249	2.2
219.08049	2.0
220.08719	0.8
221.06017	3.5
221.09601	1.9
222.06729	4.8
222.10353	0.7
223.07635	2.9
224.08287	3.3
231.08028	1.8
232.08755	2.5
233.05943	1.2
233.09619	1.7
234.06773	4.3
234.10295	0.8
235.07526	6.2
235.11118	0.6
236.08359	4.3
237.05489	2.2
237.09091	4.0
238.06247	1.0
238.09819	0.8
239.06989	1.4
239.10696	0.8
241.08171	0.6
247.07495	1.8
248.08167	1.6
249.05424	1.8
249.09105	13.3
250.06294	3.6
250.09966	3.9
251.07042	3.6
251.10548	0.6
252.07826	11.3
253.08513	2.2
254.08809	0.5
259.07339	0.5
260.08344	1.1
261.09128	2.9
262.06247	0.8
262.09824	0.7
263.06970	3.6
264.07864	5.5
265.04999	2.0
265.08572	17.6
265.11652	0.6
266.06268	0.9
266.09329	10.1
267.10080	1.9
269.08118	0.9
272.71317	0.5
275.10574	1.4
276.07831	0.6
277.08533	4.2
278.06171	0.6
278.09329	3.0
279.06491	1.5
279.09839	0.9
280.07315	11.7
280.10440	0.7
281.08139	7.0
281.11356	1.2
282.08417	0.7
291.10098	0.7
292.07343	0.7
292.10791	0.6
293.08102	2.8
293.11716	11.7
294.08722	1.4
294.11871	0.6
295.09668	5.5
296.10431	11.3
297.07669	0.6
297.10889	1.1
306.08734	0.6
307.09619	0.7
309.11285	3.6
310.11795	1.4
311.09213	1.2
311.12720	9.8
312.09903	0.8
313.10587	1.2
321.11185	6.9
324.09970	2.4
325.10721	1.8
338.11267	0.7
339.12268	100.0
340.12827	9.1
341.09921	0.6
341.13705	1.0
353.13895	1.5
354.13681	0.5
371.14890	34.6
372.15344	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01867	2.0
55.05503	1.8
56.05046	1.7
58.06600	2.0
58.49399	1.4
60.32727	1.6
67.05502	2.5
69.03400	2.9
69.98917	6.0
69.99332	3.6
70.06563	1.9
71.04977	2.1
74.06066	5.8
78.04686	4.2
79.05492	8.6
81.07052	3.7
83.04981	2.4
89.03868	1.4
91.05424	8.9
93.07032	4.1
95.04973	4.0
97.02879	2.8
98.21456	2.1
103.05453	8.2
104.06250	2.0
105.03374	1.5
105.07019	8.0
106.04161	2.1
107.04968	9.2
107.08575	2.8
109.02861	2.7
111.04394	1.6
115.05430	5.4
117.03363	2.5
117.06990	1.9
118.04131	2.7
119.04948	2.1
119.08573	9.1
121.06492	5.7
121.10168	1.7
122.03613	1.5
123.04396	5.9
123.08018	1.7
123.85363	1.5
124.05181	1.9
128.06216	3.9
129.07021	9.7
130.04106	2.4
131.04007	2.6
131.04922	29.4
131.08508	3.0
132.05717	25.8
133.02824	2.8
133.06528	3.3
133.10115	4.9
137.05972	8.3
141.06955	2.2
142.07784	1.8
144.05682	2.7
145.06429	2.7
147.04402	3.9
147.08032	6.3
148.05199	2.7
149.05986	3.3
151.03902	2.5
151.07597	2.2
153.05388	2.8
156.05721	2.0
156.09320	2.6
157.06468	4.1
157.10072	2.5
159.04427	2.8
159.08049	5.8
159.24448	1.6
160.05180	11.5
161.05962	7.4
163.03879	3.0
163.07530	5.3
165.05493	4.3
165.06923	2.7
167.07034	100.0
168.07399	2.2
169.06435	1.6
174.06717	1.8
175.07536	32.4
176.04694	1.8
177.05484	14.5
177.06937	3.1
177.09053	1.9
178.07738	3.1
179.07024	5.5
179.08440	2.7
180.07788	9.5
181.08578	2.0
181.10107	2.1
185.05981	1.9
187.03899	6.6
187.07518	17.3
189.07011	2.3
189.09055	3.6
190.07722	3.3
191.07051	23.2
191.08559	2.9
191.14278	2.2
192.07800	68.9
193.06500	1.8
193.08380	2.4
193.10159	2.3
195.08083	3.0
199.07520	6.2
199.11159	5.4
202.07690	2.0
203.08546	3.0
205.06538	3.4
205.10289	1.9
206.07266	5.4
207.06404	4.9
207.08102	5.2
209.07973	2.1
209.09659	2.0
212.08353	2.2
215.08571	1.9
217.06616	1.9
217.08582	6.3
218.07286	4.8
218.41368	1.5
219.08029	5.1
220.08762	2.2
221.06009	2.2
221.09514	4.7
221.78656	1.5
222.06735	2.2
223.07498	2.9
227.10645	4.2
231.08060	2.6
233.06004	2.1
233.09610	2.7
234.06677	6.0
235.07635	6.8
236.08289	2.9
237.05417	1.8
237.09157	3.0
241.08603	1.5
241.54391	1.6
245.06017	1.7
245.11705	2.6
246.06894	2.0
247.07486	4.3
248.08359	3.3
249.09123	7.4
250.06265	4.0
250.09705	2.8
251.07010	5.5
252.07771	5.4
253.08536	4.0
261.09116	3.1
263.07013	5.0
264.07910	3.3
265.08636	7.8
265.11249	1.3
265.12207	1.4
266.09348	5.3
267.09961	1.6
277.08685	5.1
278.09357	3.1
279.06543	2.0
279.10162	4.2
280.07303	3.6
281.08130	3.1
281.11673	10.4
283.09674	1.9
289.08563	4.2
293.08466	2.8
293.11722	6.1
294.08914	2.6
295.09650	2.7
295.13132	4.0
296.10349	2.5
300.09821	4.1
306.08786	1.8
307.09512	5.2
308.10269	1.7
309.11145	12.8
310.11581	1.9
311.09033	2.0
311.12592	3.3
321.07532	5.1
321.11255	7.0
323.09311	1.8
323.12860	3.9
326.11435	4.4
339.12274	25.7
340.12756	2.6
341.10162	1.8
341.13785	15.3
353.09973	3.2
353.13812	9.8
371.14914	16.3
371.19412	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05495	4.7
57.03431	2.0
58.06599	17.2
64.37220	1.6
65.03921	1.8
67.05521	1.6
69.03416	5.3
70.06578	4.7
71.04996	2.0
71.62135	1.9
72.08147	1.4
73.04752	2.3
79.05483	13.5
81.07039	5.5
83.04962	2.7
84.08136	3.1
85.02898	4.6
86.09711	2.7
91.05374	8.2
93.07063	2.5
94.04166	4.2
95.04928	4.9
97.02908	2.7
103.05447	3.3
105.07001	5.5
107.04953	20.5
107.08591	2.4
109.06496	2.4
109.10124	2.1
111.04440	3.0
111.29607	1.5
114.11874	1.6
115.05428	3.4
116.06280	3.1
116.07061	1.6
117.07005	2.6
119.04900	3.0
120.08101	2.0
121.06506	2.8
121.10159	2.2
122.03626	7.6
123.04424	3.3
124.05200	4.3
125.05975	3.7
127.03914	2.6
128.06245	4.5
129.07013	11.4
131.04919	4.8
131.08578	11.7
133.06503	2.6
135.08076	2.3
137.05975	100.0
138.06279	2.3
141.06989	4.6
144.05725	8.6
145.06476	4.4
145.10132	1.9
149.05969	2.0
149.09547	2.2
150.05484	1.7
151.03926	2.3
151.07539	5.6
152.04704	2.1
153.05551	1.7
156.05710	18.6
157.06456	6.5
158.07214	2.1
159.08051	19.6
160.05180	2.5
161.05981	3.5
163.03816	2.0
165.07007	2.4
167.07048	51.4
169.06380	3.8
172.05214	4.1
173.05983	3.4
173.13269	2.0
174.06738	6.4
175.07529	9.3
177.05449	6.9
178.07773	2.0
179.06987	2.7
180.05692	2.4
181.05009	1.9
181.06508	3.5
184.05225	4.6
186.06779	3.3
187.07524	22.9
189.07155	3.0
189.09094	10.3
190.07776	4.0
191.07021	2.9
191.08580	2.7
191.14207	2.3
192.10286	2.6
193.08633	3.8
193.10223	2.0
195.06456	2.3
195.08128	2.6
196.05267	1.5
198.06779	2.3
199.07591	3.1
201.09032	2.4
202.06206	7.9
202.07838	3.3
203.06935	2.8
203.08588	7.4
205.06578	2.9
205.08578	4.2
206.07259	6.6
207.08086	3.9
209.06076	1.9
209.15239	3.6
210.06929	2.2
211.07568	3.1
212.08043	1.9
215.06795	2.8
215.08627	3.9
217.06718	2.0
217.08578	55.5
218.07292	12.5
218.09140	2.4
219.08051	6.4
219.10172	4.8
221.09669	8.2
223.07610	3.2
224.04642	3.9
226.06232	4.9
229.06456	2.2
229.08565	2.3
231.08138	8.4
232.08919	2.7
233.06056	2.9
233.09659	11.2
234.06766	11.4
235.07616	11.4
236.08340	2.1
237.09117	2.7
238.04709	2.2
239.07097	10.6
240.07683	1.9
241.08650	12.3
242.05638	2.2
243.08174	2.9
246.06816	4.2
247.07468	6.7
247.09685	21.8
248.08261	6.7
249.05487	2.0
249.09106	18.1
250.06197	2.5
250.09735	4.0
251.07230	2.5
251.10669	2.6
252.05771	2.5
252.07828	6.0
256.09460	2.2
257.08023	2.0
260.08325	8.1
261.09103	21.5
262.06271	3.8
262.09698	3.7
263.07126	13.0
263.09900	1.9
263.10791	1.8
265.06598	8.9
266.09454	8.4
267.08310	4.5
269.08035	7.5
271.06000	4.6
277.08545	17.6
278.09351	10.9
279.04874	3.6
279.09927	4.0
280.05341	18.4
281.06305	12.8
281.11710	6.7
284.09055	5.5
285.07513	21.4
285.09787	11.9
286.07993	3.0
289.08481	7.0
290.09351	2.2
291.06424	4.8
291.09933	2.4
292.07199	2.4
293.08295	4.3
293.11554	20.2
294.07639	5.5
295.08011	14.6
296.08475	2.2
299.11157	2.4
300.09973	32.5
301.10660	13.4
306.08859	8.8
307.09705	8.2
309.05844	24.4
309.09503	14.6
309.10995	8.2
310.06613	13.2
311.09406	2.7
312.08704	4.6
313.08594	12.5
316.24774	1.6
321.11218	30.0
322.11536	3.6
323.07639	12.9
323.12402	2.1
324.08377	3.9
325.09045	20.5
326.11554	13.0
327.10388	16.9
328.11292	10.6
338.06094	5.6
338.11472	7.2
339.12057	3.0
341.08508	4.0
341.13861	8.8
353.08521	19.6
353.13797	54.1
354.13864	2.8
356.10928	13.0
371.09204	10.7
371.12820	40.1
372.14172	4.8
372.18286	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	371.1488
Annotation	1-Hydroxy-3,5,6-trimethoxy-2-(3-methylbut-2-enyl)xanthone
Peak:m/z	Relative Intensity
53.99398	2.2
55.05501	5.4
56.11626	1.9
66.00615	2.4
67.05499	5.3
69.07053	5.9
69.92178	7.9
69.92593	4.4
79.05495	6.0
81.07046	6.8
83.04984	1.9
84.70916	2.2
91.05434	3.1
91.05839	3.0
93.07061	3.8
95.04952	4.8
95.08588	4.4
97.10191	2.9
103.05463	2.4
105.06981	5.0
107.04948	4.7
107.08585	4.5
109.10146	4.8
110.03585	2.3
111.04440	2.8
117.07015	3.8
121.06429	3.7
124.05209	2.7
129.05450	2.0
129.06969	3.7
131.08578	4.5
137.05963	7.7
138.03185	2.4
141.07021	3.8
143.08559	5.8
145.06566	3.0
145.10110	3.8
147.06500	2.7
151.03917	6.0
153.05466	13.4
156.05681	2.8
157.10117	2.9
159.11693	3.2
165.06996	3.3
167.07082	19.7
169.10141	2.6
171.08076	6.3
173.09595	2.3
177.05507	8.6
179.03447	2.7
179.08484	3.0
181.04922	4.7
182.07262	2.4
187.07570	3.4
189.07155	3.0
189.09102	11.8
190.07770	2.6
191.07019	3.4
195.07977	3.0
197.09789	2.7
199.07423	4.6
205.08517	3.2
207.08032	3.7
208.08858	6.6
209.09477	2.3
211.07550	3.1
217.08655	21.9
218.07317	5.0
219.08058	5.6
221.05957	2.7
221.09622	3.9
223.11258	6.1
224.08304	2.6
225.09123	4.4
231.10176	6.6
232.08835	3.9
232.10909	19.3
233.09579	8.2
235.05370	4.0
235.07558	4.9
236.08340	6.6
237.09196	3.1
238.06096	2.7
239.06937	2.7
241.08557	2.8
246.06808	3.4
247.07571	5.7
249.09097	8.3
251.10666	6.8
253.08591	6.6
260.08353	2.3
261.09113	10.9
263.07104	8.0
264.07886	13.4
265.08524	6.1
267.06549	2.8
268.10873	3.6
268.26437	4.1
269.11676	3.0
277.08469	2.9
278.09454	7.0
279.10162	21.8
280.07285	3.9
280.10834	2.2
281.08069	7.8
285.07623	3.5
286.08194	2.4
291.06668	3.0
292.07242	3.8
293.08041	6.6
293.11813	7.0
295.09674	4.4
296.10474	6.2
300.09857	5.9
302.30438	2.2
306.08917	2.6
307.09647	19.0
308.10330	3.1
309.07654	4.8
311.12833	13.1
313.10699	3.3
315.08649	4.3
321.11206	9.0
323.09097	3.7
324.10031	4.5
325.10825	6.1
327.08716	4.0
327.12393	3.1
329.10129	2.6
339.12253	37.5
340.12952	7.0
341.10022	4.4
341.13876	2.5
342.10629	2.7
343.15417	7.9
353.13950	7.2
356.12543	6.8
366.59250	2.6
371.14886	100.0
371.29608	3.2
372.15317	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	371.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15635	1.6
52.46470	1.4
55.78092	1.4
56.96556	6.9
57.03418	3.4
60.94392	1.6
61.02914	3.6
69.03427	11.5
70.02943	1.9
70.06608	1.8
71.43826	3.1
73.02906	3.0
73.04743	9.1
74.02422	9.7
81.03403	6.5
84.04489	3.9
84.96041	2.0
85.02902	31.7
88.04003	3.0
91.05835	23.3
94.06568	77.2
95.04949	2.3
97.02895	12.3
98.97581	4.8
99.00793	8.2
101.05988	1.8
104.04985	5.2
105.82584	1.9
108.18639	1.9
109.02862	4.0
111.04442	2.4
116.03445	1.8
116.98606	3.4
118.06546	27.8
120.04456	30.6
127.03904	6.1
129.07091	1.4
130.06517	4.9
132.04453	6.0
132.08070	5.8
136.06204	2.2
136.06436	2.9
136.07584	44.5
145.04982	3.6
146.06006	57.8
146.08084	2.7
146.99675	2.2
147.04424	1.9
150.05496	20.1
156.04446	3.4
158.06033	3.8
160.07587	4.9
163.03925	1.9
163.08708	8.4
164.07076	3.9
170.05989	6.8
172.06059	2.0
174.05537	22.2
175.05579	1.6
184.07549	3.3
188.07062	3.7
190.04994	4.2
192.06557	100.0
193.06984	1.9
196.07555	5.3
198.05484	3.3
198.09143	2.6
201.00694	1.9
202.08615	2.1
209.09215	80.4
210.09445	1.9
214.08475	2.6
224.07208	1.8
233.09296	1.9
234.07680	4.7
236.07312	2.2
244.09676	4.5
251.10255	2.3
252.06474	2.4
254.08130	2.3
262.10788	4.0
268.97794	8.4
270.07645	11.0
280.11639	2.7
282.07724	1.7
285.00949	11.9
286.00787	2.4
298.12802	1.8
300.08911	3.2
318.09769	12.9
335.12344	3.4
336.10736	3.2
353.13538	2.0
355.07019	3.4
373.45569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
51.20181	0.6
64.57223	0.6
67.05480	0.8
69.03399	0.8
69.77541	5.5
79.05435	2.2
81.07006	1.2
89.72051	0.7
91.05434	2.6
93.07021	0.8
95.04891	0.8
95.08596	0.8
97.02822	0.8
97.06481	1.1
97.37620	0.8
98.20750	1.4
103.05418	1.5
105.06969	2.2
107.04970	4.4
109.02869	0.8
109.06490	0.9
111.04401	0.8
115.05419	1.2
117.06958	0.9
119.04882	1.8
119.08476	0.9
121.06500	1.3
122.03661	0.9
127.54252	0.7
129.06934	0.8
131.04858	2.9
132.05650	2.4
133.06404	1.0
137.05969	7.6
144.05672	0.7
145.06464	1.2
147.04358	1.0
147.11469	0.7
149.05948	1.3
151.03659	1.0
156.05685	1.1
157.06451	0.8
159.08006	2.1
161.05902	1.5
165.06967	2.1
167.07047	8.4
167.08452	1.5
169.06401	0.7
171.08102	1.0
175.07504	2.6
177.05371	2.1
178.07747	2.5
179.08549	1.7
181.06447	2.0
182.07216	0.9
186.06926	0.8
187.07483	2.6
189.06865	1.4
190.07768	1.5
191.06894	0.8
191.08488	1.4
191.14343	0.8
192.07741	2.3
193.06538	1.6
193.08557	1.6
194.07236	3.3
195.08052	1.5
196.08827	1.0
203.08426	1.6
205.06438	1.4
205.10173	1.1
206.07336	3.6
207.07970	3.1
209.05977	1.7
209.09540	0.9
210.06660	1.7
211.07518	1.1
215.08533	1.3
217.08588	4.7
218.07248	3.1
219.07970	2.8
219.10045	1.2
221.05969	3.1
221.09572	2.0
222.06812	3.7
223.07465	3.2
224.08292	4.0
225.09132	0.9
226.06152	1.0
227.06870	1.0
231.08078	2.3
232.08801	2.1
233.09497	2.8
234.06808	4.6
235.07541	6.3
236.08318	5.6
237.05475	2.7
237.09058	3.1
239.06966	1.7
239.10620	0.9
247.07399	2.4
247.09669	1.6
248.08284	1.5
249.05370	1.5
249.09096	15.4
250.06229	3.2
250.09814	3.8
251.06958	4.0
252.07797	11.1
253.08478	2.5
257.08160	1.1
260.08289	1.6
261.09076	3.7
262.06308	1.3
262.09821	1.4
263.07114	4.5
264.07831	6.0
265.04953	2.8
265.08572	17.1
265.11618	1.1
266.09351	11.4
267.10034	2.1
271.05939	1.1
272.59692	0.7
275.10779	0.9
277.08667	5.5
278.09308	3.6
279.06424	1.5
279.10159	1.1
280.07346	11.2
280.10486	1.4
281.08017	7.6
281.11536	1.9
285.07547	3.1
289.08701	1.0
291.06589	0.9
292.10965	1.2
293.08090	3.4
293.11691	11.1
294.08765	2.4
294.11874	1.3
295.09695	5.3
296.10471	10.6
297.07770	1.0
297.11029	1.5
300.09879	3.4
301.10565	1.5
306.08762	1.7
307.09436	1.4
309.11200	3.7
310.11896	1.3
311.12701	8.4
312.13144	1.2
313.10812	2.3
321.11142	8.8
323.09021	0.9
324.09775	1.5
325.10699	1.4
326.11502	1.4
328.13010	0.9
338.11292	0.8
339.12253	100.0
340.12762	10.2
341.13687	2.4
353.13733	5.3
371.14886	39.2
372.15179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01868	7.7
55.05496	5.7
57.03427	4.6
58.06599	7.5
67.05511	6.0
69.03426	25.6
69.07047	3.4
70.06572	7.8
71.04994	5.7
71.21548	5.0
71.21886	2.9
72.08165	5.7
73.02895	3.0
73.04750	4.3
78.04703	3.2
79.05495	19.4
81.03407	9.0
81.07050	11.8
83.04986	10.6
83.08634	3.3
84.08138	7.1
85.02913	19.2
86.09683	5.1
91.05490	16.0
93.07049	16.0
94.27743	2.8
95.04974	11.0
95.08607	11.1
97.02878	13.7
97.06547	4.1
99.04450	3.4
103.05454	12.9
103.88987	2.9
104.06214	3.8
105.07034	58.2
107.04935	14.2
107.08601	14.6
109.02880	5.7
109.06507	12.0
109.10162	4.9
111.08095	6.4
115.05444	13.7
117.07009	3.7
118.04156	3.9
119.04940	3.4
119.08551	8.8
121.06488	18.0
121.10120	15.0
123.04427	6.0
123.08067	7.5
125.02360	2.6
125.09627	14.3
127.03902	9.9
128.06161	2.8
129.05377	3.9
129.07030	3.4
131.04947	6.7
131.08580	10.7
132.05702	6.3
133.06485	52.8
133.10094	8.7
135.08043	20.5
135.11674	7.3
137.05983	12.0
141.06993	3.6
143.06105	5.5
145.06509	3.7
145.10109	7.3
147.04362	6.6
149.05977	18.9
149.09602	76.1
149.13219	3.6
151.03914	13.5
151.07553	5.6
151.11154	5.2
153.09100	6.5
155.08481	2.4
156.09317	3.4
157.10132	3.4
159.08034	4.7
159.11700	4.6
160.12038	4.7
161.05966	34.7
161.09676	5.7
163.04008	5.5
163.07504	3.3
163.11160	6.2
165.06973	3.0
167.07050	32.8
171.11736	3.3
173.13266	18.1
175.07585	3.2
175.14786	3.1
177.05467	13.4
178.06197	4.6
179.07001	3.7
181.08606	10.8
183.04836	2.5
183.08076	3.1
183.11855	2.6
185.09593	4.1
187.07526	10.5
191.07036	10.1
191.14304	87.4
191.49289	2.5
192.07928	3.8
193.08575	100.0
199.11111	4.0
209.08047	11.6
209.15361	60.7
217.08638	10.2
227.10706	5.3
234.06873	4.7
247.07530	3.1
249.09160	3.9
250.06143	3.3
264.11365	5.4
265.08585	4.5
277.08636	4.2
281.11758	4.5
282.12424	3.3
285.01242	2.5
293.11624	3.8
309.11169	4.3
325.16342	3.0
339.12402	8.1
353.13898	10.6
353.19626	4.3
355.06711	3.9
371.13168	11.9
371.16757	12.2
371.20755	7.6
387.77335	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	371.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
53.24670	2.9
55.01861	7.2
55.05496	4.1
56.05022	5.4
56.96560	47.5
57.03421	13.4
58.06609	3.1
58.99863	4.4
60.05637	4.8
60.51807	2.8
60.95840	6.5
61.02928	24.6
69.03428	31.5
69.07066	3.8
70.06235	5.1
70.06593	58.9
71.01324	5.4
71.04986	8.6
72.08147	12.1
73.02905	13.7
73.04758	21.7
77.00893	7.9
81.03415	18.7
83.04986	5.2
83.06063	3.0
84.04499	11.2
84.08146	32.4
84.96040	4.4
85.02905	43.7
86.06064	11.0
86.09719	16.8
87.04468	7.6
87.10036	7.0
88.99179	5.4
90.05598	3.5
91.02462	5.7
91.03943	6.4
91.05804	100.0
97.02294	4.0
97.02888	52.3
98.97575	32.2
99.04449	3.9
102.01550	3.4
102.96851	8.9
103.02417	3.6
105.02044	3.0
109.02855	9.6
110.07143	8.3
110.17430	2.7
110.97585	5.3
111.20944	3.7
112.05082	14.9
112.99146	7.9
113.03474	6.6
114.05561	4.0
114.07372	6.0
115.03936	5.0
116.07095	9.6
116.98613	25.9
119.01878	12.6
120.01177	3.1
121.01585	4.2
127.03898	13.4
128.98595	13.2
129.10211	12.3
130.08682	3.7
131.00179	21.8
131.01869	10.2
132.10217	7.1
132.97879	3.6
133.03465	11.1
134.99612	13.1
135.40047	2.9
136.06175	86.5
136.07423	5.2
136.07600	5.1
137.05890	4.5
138.51152	3.3
138.98935	3.5
141.03943	8.1
143.00206	4.2
144.99817	10.8
145.03506	3.0
145.04991	4.9
146.99614	15.5
148.00038	3.5
148.03891	20.5
149.01213	19.2
150.01695	3.6
150.05539	20.6
152.05669	18.4
152.06894	4.4
155.01944	6.8
157.03459	8.8
157.04501	6.9
157.54526	5.8
158.99644	4.8
159.05046	11.2
160.02766	5.2
161.01222	12.5
161.02939	4.3
162.01854	3.3
163.02769	5.7
163.04240	4.6
165.00766	7.3
167.02081	9.8
167.07004	5.0
169.03450	11.8
170.01422	3.6
170.99757	5.4
171.05017	10.8
172.02933	3.2
172.99287	4.1
173.01291	7.0
173.03001	9.3
173.06584	19.8
174.06239	3.2
174.08757	16.7
174.99121	4.2
175.04556	11.1
175.11934	7.6
177.00793	13.4
177.02362	5.9
177.05949	2.9
178.04951	20.1
179.02155	4.7
179.04433	3.5
181.03651	6.3
183.01787	3.2
185.02960	16.4
187.04475	7.0
189.00795	6.7
189.03595	7.3
189.06110	7.5
189.55713	5.8
190.98743	4.0
191.00526	5.8
191.02364	12.3
191.07791	5.7
192.06479	4.0
192.98550	5.8
193.00127	4.1
193.03787	8.3
193.05486	4.0
199.04469	19.5
199.07692	3.9
200.03720	4.3
201.00705	7.6
203.02327	5.0
203.07600	8.4
205.00064	5.0
205.01868	4.1
205.03708	5.5
209.09215	10.7
211.04947	4.2
212.04530	3.8
217.05565	26.6
219.01814	22.6
219.05237	3.5
221.05023	4.4
223.01111	4.4
225.02403	4.5
226.52361	4.6
227.02315	5.6
229.00455	5.9
231.07143	10.0
233.03137	6.0
235.06654	7.6
236.05753	3.3
237.02858	29.6
239.06776	5.1
241.02031	9.9
242.55702	8.9
243.03671	5.9
244.54071	4.5
245.05029	7.6
247.01411	5.7
250.06856	4.3
252.08199	4.4
255.04230	3.1
255.07327	3.4
259.06940	4.7
261.04620	8.2
267.00308	4.5
267.03510	24.0
267.06375	4.5
267.07565	3.8
268.97827	17.5
269.04742	3.3
272.06363	3.4
275.06271	3.9
279.03943	3.4
281.05145	5.6
282.08572	10.2
283.02725	4.6
285.00980	33.0
285.04248	8.3
295.03125	6.9
295.07007	5.0
297.08557	3.1
299.06253	7.0
303.02063	5.8
311.02560	12.2
311.06290	11.3
311.09906	3.5
313.03870	3.6
318.81619	3.1
321.10178	9.9
321.60410	4.8
322.10501	5.6
323.10229	3.4
329.02487	4.7
329.07416	4.2
337.07971	9.0
355.06567	17.9
371.03433	3.8
371.08215	8.0
371.14618	6.5
371.18979	12.7
371.23611	10.9
371.56036	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	370.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.9
57.07080	9.8
57.86911	1.8
64.11947	1.8
67.05509	18.8
69.07069	8.7
70.09298	4.1
70.09715	6.8
71.08635	9.4
79.05482	5.7
81.07054	100.0
83.08604	5.6
85.10175	5.2
85.53329	1.8
85.63425	1.9
91.05474	3.4
93.07047	7.6
95.08605	27.8
97.10135	4.0
97.93089	2.0
99.08083	4.1
105.07040	2.2
106.33630	1.7
107.08585	4.4
109.06515	17.3
109.10175	8.8
111.11741	2.2
119.08559	3.1
121.10155	6.0
123.11676	2.2
123.88606	1.8
127.07553	11.8
128.62178	1.7
133.10127	3.5
135.11674	6.8
137.13239	3.3
145.08598	13.4
147.11685	2.9
149.13281	5.9
159.11557	2.0
169.15880	13.5
191.26744	2.0
207.21056	3.2
217.19463	6.9
235.20570	13.2
253.21581	3.5
275.27368	2.5
299.27319	2.5
317.28445	8.5
325.19296	1.9
335.29477	5.9
370.40121	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	370.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41389	4.2
53.03958	4.0
55.05503	17.2
67.05504	20.1
69.07066	5.2
71.04986	7.4
71.63795	7.7
79.05489	27.2
81.03444	4.3
81.07065	33.9
91.05479	49.3
93.07048	36.0
95.04981	16.0
95.08626	31.6
97.06521	9.1
100.84515	4.2
105.06395	5.6
105.07037	74.1
107.04974	6.7
107.08577	31.5
109.06525	9.7
115.03919	9.6
115.05445	5.1
117.06990	24.4
119.08579	52.6
121.06557	5.9
121.10152	12.6
128.06218	8.8
129.07011	20.4
130.07774	5.4
131.08553	56.8
133.10115	13.4
135.08092	5.3
141.07018	12.1
142.07774	21.4
143.08556	24.3
144.09348	5.6
145.06491	8.2
145.10123	83.2
147.08018	11.3
147.11668	26.5
149.09691	5.9
149.13260	4.6
153.07008	5.9
155.08543	32.3
156.09331	10.6
157.10106	42.6
159.08037	31.8
159.11691	43.8
160.08821	5.2
161.09621	7.5
161.13190	6.7
163.11182	6.2
167.08569	11.7
169.10127	18.3
171.11765	15.9
173.09601	24.9
173.13260	17.0
174.13484	4.2
175.11230	23.6
178.62321	4.2
182.10875	24.2
185.13293	10.5
187.14842	41.7
197.13249	54.5
215.14302	100.0
216.14630	7.3
233.15390	71.3
234.15311	5.2
299.11346	5.6
365.29584	5.5
371.14612	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	370.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01867	0.5
57.03442	0.4
58.06601	1.4
58.06835	0.2
61.02914	0.4
65.03910	0.3
66.43755	0.2
67.05470	0.3
69.03437	1.7
70.06586	0.6
71.04981	0.6
71.62038	0.4
72.08151	0.3
73.02895	0.3
73.04725	0.3
77.03915	0.2
79.05488	0.4
81.03403	0.4
81.07056	0.3
84.08138	0.3
85.02906	4.3
86.09714	0.4
91.05448	5.4
92.05783	0.3
93.07030	0.6
95.04968	2.2
95.84659	0.2
96.74873	0.2
97.02882	1.1
99.04477	0.3
103.05434	0.3
105.07029	0.7
107.04957	0.6
107.08605	0.3
109.02884	0.5
110.07283	0.3
119.04938	7.3
119.08542	0.3
121.06448	0.4
121.10125	0.4
123.08057	0.6
127.03902	0.5
135.08034	0.7
136.05241	1.2
137.05930	1.0
145.04919	0.5
148.05133	0.4
149.06012	1.4
149.09604	2.2
150.05513	0.6
151.07539	26.8
152.07870	0.6
163.03946	0.4
163.56712	0.3
165.05469	0.5
166.08566	0.3
167.06990	0.4
170.80135	0.3
179.07196	0.4
180.10204	0.7
190.08617	1.7
191.14313	0.7
193.07291	1.8
207.06772	0.6
208.09683	100.0
209.04480	0.8
209.09973	2.7
214.30128	0.3
220.05981	0.5
232.09686	0.5
235.06250	2.4
250.10742	1.1
263.05740	3.8
266.04376	0.7
274.04929	0.7
281.06857	0.3
291.05252	4.2
292.05664	0.4
308.05930	0.3
308.09189	1.1
309.06335	0.7
324.08661	6.7
325.09021	0.4
370.08920	0.4
370.15518	1.7
370.22086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.3
59.32979	1.1
69.76705	6.6
69.77121	2.3
70.06572	2.3
74.06052	1.2
79.05493	1.3
80.43336	1.2
82.18301	1.1
84.08115	1.7
85.02903	2.0
86.09668	1.3
98.20751	1.5
105.07028	1.9
107.04957	2.2
111.04431	1.2
115.05390	1.4
120.08081	3.4
121.06545	1.1
129.06947	1.4
131.08528	1.2
137.05969	11.5
140.39748	1.3
154.06427	1.3
156.05717	1.4
159.08075	2.4
163.07512	1.8
165.06966	1.3
167.07027	7.9
174.05453	2.1
175.07492	1.8
177.05540	2.2
179.07109	1.4
181.05103	1.5
187.07558	3.5
190.09979	1.4
193.05200	2.3
194.05902	6.4
195.06795	1.9
200.07111	1.7
205.05135	1.3
207.06763	1.8
207.10060	1.4
208.04034	2.2
208.10901	2.3
210.05450	3.1
217.08588	6.5
219.08084	1.8
221.04544	1.2
222.05507	17.4
223.06197	7.3
224.06998	3.5
225.07729	1.6
226.08636	2.9
232.08803	1.7
233.04741	2.5
235.06279	4.2
236.07114	7.5
238.05011	8.3
240.10201	3.1
247.09648	2.9
249.09013	1.4
250.04958	9.7
251.05746	27.0
252.06427	6.6
254.04472	4.6
254.08102	4.4
255.08835	5.3
256.09625	1.9
261.04092	1.8
261.08939	1.7
262.05453	1.3
263.05634	7.3
263.50171	1.2
264.03525	2.8
264.06537	56.5
265.07077	4.1
266.08121	28.5
268.09625	2.9
272.09180	1.5
278.04498	5.0
278.08154	2.7
279.05255	86.0
280.06015	65.6
281.06363	5.4
282.03986	2.0
282.07437	1.9
284.09164	50.4
284.12296	2.7
285.07391	1.7
291.05273	3.9
292.05994	16.8
293.06787	13.4
293.11761	2.3
294.04156	6.2
294.07559	93.3
295.04672	3.1
295.07971	5.6
296.09167	3.1
297.10028	2.4
298.10718	11.5
300.09793	3.8
306.03928	2.3
306.08777	1.4
308.05484	100.0
308.09155	92.6
309.06268	56.6
309.09583	4.3
310.06839	6.4
311.07751	2.3
312.08661	33.6
320.05453	5.4
321.06238	4.0
321.11307	2.4
322.07080	76.6
323.07767	8.8
324.08655	97.7
325.08884	4.5
326.10199	60.5
327.10947	22.6
337.05750	16.4
338.06378	1.5
338.10233	5.2
340.08188	9.9
352.08127	88.0
353.08566	3.5
353.13812	5.4
355.10461	29.7
356.10754	2.1
370.09003	50.0
370.12875	88.4
371.09348	3.0
371.13135	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	369.2788
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.46195	3.9
55.05508	11.9
55.41093	4.1
58.57827	4.0
64.90538	3.9
67.05510	27.6
69.07067	23.2
71.09619	12.8
73.35737	3.6
75.44096	4.2
79.05495	15.4
81.07050	46.2
83.08613	6.2
91.05488	16.3
93.07032	27.6
95.08601	41.1
105.07034	33.9
107.08591	44.1
109.10165	48.9
117.07007	5.8
119.08578	23.4
121.10148	31.7
123.04469	4.2
123.11720	9.9
129.06949	4.1
131.08534	13.0
133.10136	16.1
135.11671	11.7
137.13268	7.1
143.08582	13.7
145.10121	16.9
147.11716	13.9
149.13268	18.0
155.08574	5.7
157.10152	12.3
159.11693	22.7
161.13280	20.4
163.14865	13.7
166.12694	4.5
169.10052	9.5
171.11765	9.5
173.13278	15.3
175.14778	6.7
183.11725	7.3
185.13272	14.0
187.14853	11.5
189.16556	5.1
197.13243	9.4
199.14903	8.4
201.16473	8.1
211.14835	8.9
213.16426	8.1
225.16418	4.5
227.17995	11.9
239.17970	12.8
241.19482	8.2
253.19495	12.9
267.21039	10.6
273.18607	6.0
287.20047	9.4
299.20212	6.5
313.21567	5.9
323.23688	7.8
323.27344	81.4
351.26712	7.5
369.27921	100.0
369.42871	7.9
370.28024	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	369.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23231	3.5
55.05502	12.2
57.07067	8.4
61.09750	3.0
67.05517	20.6
69.06783	2.9
69.07075	32.7
69.40564	30.0
71.08627	3.1
73.24655	3.6
73.82294	3.4
74.49249	3.2
76.56854	2.9
79.05484	11.5
81.07057	48.0
83.08636	7.8
85.06503	3.3
85.57845	3.3
91.05473	15.9
93.07048	37.7
95.08606	40.7
97.10173	3.7
98.21462	6.2
99.38949	3.2
105.07027	29.0
107.08591	32.0
109.10149	27.1
117.07011	6.3
119.08555	28.0
121.10134	29.7
123.11732	11.2
128.06233	4.3
129.07005	5.9
131.08548	12.3
133.10139	20.7
135.11658	16.6
137.13245	5.8
139.07559	4.6
143.08578	12.2
145.10130	15.9
147.11632	17.3
149.13272	20.0
151.07542	4.0
155.08566	4.8
157.10149	11.1
159.11691	31.8
161.13287	36.5
163.14828	22.3
169.10146	4.1
171.11702	7.7
173.13255	18.6
175.14818	9.3
183.11688	9.7
185.13249	11.9
187.14809	9.1
189.16396	4.5
197.13321	4.0
199.14830	14.4
201.16414	14.2
207.13763	4.2
211.14870	8.1
213.16354	17.7
215.17926	10.5
225.16338	8.3
227.17937	9.0
229.19579	4.8
229.88191	3.1
239.17987	8.1
241.19612	7.7
253.19504	11.8
255.21088	6.3
256.21802	5.6
267.20975	15.9
273.18369	3.9
281.22681	6.1
313.21558	7.0
323.27301	91.0
325.28769	14.8
341.28351	3.5
351.26889	6.7
369.23441	6.8
369.27850	100.0
369.43066	5.3
370.28372	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81303	2.7
53.03930	8.2
55.01863	9.5
55.05264	3.3
55.05512	50.6
55.32000	3.0
57.03425	20.9
57.07085	6.7
67.05502	100.0
69.07069	39.8
70.02512	17.2
71.04983	7.2
71.08280	3.1
71.08633	34.7
71.91201	3.0
72.04497	8.2
79.05063	3.1
79.05492	57.8
81.03419	22.9
81.07052	91.4
83.04987	18.5
83.08618	27.3
85.02862	2.9
85.06530	8.6
90.15542	3.1
91.05470	51.2
93.07040	77.8
95.04970	26.7
95.08604	44.9
97.06530	15.2
97.10155	18.0
99.08086	35.5
103.03974	3.4
105.07031	32.3
107.04914	3.8
107.08585	48.4
109.06504	9.4
109.10139	23.3
111.08060	8.0
113.09650	4.2
117.06996	14.9
119.08583	26.8
121.06455	3.7
121.10145	26.6
123.08037	4.7
123.11693	8.8
125.09650	13.9
129.06979	8.5
131.08543	17.9
133.10124	23.1
135.07933	3.8
135.11647	21.8
137.09598	6.2
139.11235	4.4
143.08612	6.9
145.10095	17.7
147.11690	16.5
148.46155	3.5
149.09615	4.3
149.13263	24.1
151.11179	47.9
156.09262	2.9
157.10132	4.9
159.11708	13.1
161.09523	6.1
161.13229	21.7
163.11188	19.1
163.14790	4.2
165.12723	11.5
169.10066	3.5
171.11696	9.0
173.11737	12.4
173.13225	5.6
175.11200	6.0
175.14833	5.9
177.12727	9.0
179.14238	14.4
184.16985	5.0
185.13249	4.6
189.11191	15.3
189.12730	5.7
195.13811	11.2
199.14807	4.7
202.17982	6.0
203.18333	5.9
213.14728	3.9
227.12834	16.6
231.21025	6.6
241.19539	8.6
245.13808	7.6
249.22264	4.3
253.17876	6.0
259.20551	12.4
269.17465	25.4
277.21628	72.8
351.25433	33.9
357.48233	3.0
369.26730	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	369.2634
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01852	9.2
55.05303	2.8
55.05508	33.1
56.03053	3.2
57.03428	5.0
57.07058	12.2
58.14634	3.5
61.82058	3.4
62.26588	3.3
67.05498	37.2
69.03415	9.7
69.07058	29.6
71.04984	5.5
71.08624	24.2
71.45374	7.2
79.05486	31.5
81.03416	8.1
81.07053	44.0
83.04958	5.2
83.08594	4.0
85.06552	6.1
86.70261	3.2
88.41648	3.1
91.05476	25.6
93.07038	41.7
95.04964	20.3
95.08595	33.0
97.02875	4.2
97.06509	11.6
97.10179	5.7
99.08088	21.4
102.59792	3.6
105.07027	26.5
107.08579	30.8
109.06510	40.4
109.10143	16.1
117.06999	8.3
117.71458	3.8
119.08562	26.0
120.12665	3.2
121.06504	15.6
121.10132	20.2
123.08024	8.1
123.11687	6.5
123.47631	3.1
125.09618	6.0
128.06187	3.4
129.06993	3.9
131.08557	16.2
133.10104	12.4
135.08052	12.9
135.11674	8.5
139.11121	6.6
143.08568	3.9
145.03510	3.5
145.10100	15.0
147.11670	8.6
149.09631	7.4
149.13300	5.8
151.11174	7.7
157.10052	5.3
159.11668	12.7
161.13240	6.9
163.11200	12.8
165.12759	57.6
166.83095	3.8
169.10069	4.3
173.13275	9.7
177.12701	14.6
179.14366	4.1
181.15906	9.9
183.11763	5.2
187.14780	3.5
189.12720	4.3
191.14218	7.7
193.04951	4.6
221.65482	3.3
243.21156	3.6
261.22113	28.0
271.20609	5.4
273.87021	4.3
277.21646	8.4
279.23178	8.2
289.21585	84.7
307.22720	21.5
333.24222	44.0
351.25302	100.0
369.13193	5.2
369.23737	4.1
369.28088	6.9
370.29446	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.01866	10.8
55.05510	58.4
57.03432	25.5
57.07067	8.3
65.03944	4.8
67.05500	95.9
69.03421	6.7
69.07062	35.3
71.04999	8.8
71.08631	45.7
71.49531	2.6
71.65768	4.0
79.05486	69.1
81.03404	18.8
81.07050	100.0
83.04973	19.2
83.08623	33.8
85.06538	5.6
91.05480	48.9
93.07031	80.7
95.04961	26.2
95.08035	5.3
95.08600	57.7
97.06520	15.7
97.10162	24.1
99.08083	35.4
102.57990	2.8
105.07027	40.6
107.04958	6.9
107.08579	48.0
109.06522	11.7
109.10137	28.9
111.08095	12.1
113.09589	3.1
117.06985	14.6
119.08573	25.9
121.06458	3.7
121.10116	27.3
121.10741	2.3
122.48951	2.4
123.08077	7.0
123.11700	8.8
125.09609	20.8
127.54930	2.5
129.07019	9.0
131.08551	14.6
133.10118	25.8
135.08052	7.3
135.11679	23.7
137.09575	6.3
139.11119	4.3
143.08621	5.5
145.10173	15.1
147.11661	19.7
148.55081	2.9
149.09657	4.5
149.13254	27.2
151.11171	60.4
153.12772	3.4
157.10107	8.7
159.11696	13.8
161.09608	2.7
161.13239	16.4
163.11237	15.2
165.12732	11.6
171.10268	3.8
171.11653	6.7
173.11732	12.4
173.13161	6.5
175.14879	5.8
177.12738	7.5
179.14302	17.6
185.13252	4.1
189.11252	24.7
189.12759	5.7
195.13776	8.2
202.23122	2.8
207.13802	3.7
221.15396	4.9
227.10820	3.4
227.12778	12.3
231.21190	2.9
239.57117	2.9
241.19386	5.7
245.13846	6.3
249.22194	3.3
253.18028	10.1
259.20630	11.7
269.17471	29.0
277.21622	83.6
278.21725	3.1
295.22833	4.5
315.24600	2.6
351.25397	40.0
369.26877	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
53.30680	3.8
55.01846	5.3
55.05505	19.9
57.03418	4.3
65.32980	3.6
67.05495	61.4
68.60402	3.7
69.07048	20.8
69.33045	42.4
69.33450	4.9
71.04976	3.8
71.08628	45.2
79.05484	53.1
81.03391	8.6
81.07052	56.7
83.04959	11.7
83.08598	17.4
85.06541	5.9
91.05472	29.8
93.07038	54.7
95.04941	14.3
95.08595	46.9
97.06519	6.0
97.10168	4.7
99.08092	26.4
99.65577	3.7
105.07014	29.6
107.04922	10.1
107.08575	45.7
109.06486	5.3
109.10155	21.5
113.09640	5.1
117.06983	7.8
119.08585	20.8
121.10146	27.8
123.11674	4.7
129.06982	4.8
131.08534	11.8
133.10078	13.5
135.11693	27.1
143.08531	5.2
145.10057	6.3
147.11632	12.6
149.13199	9.8
151.11183	26.4
159.11713	9.1
161.13203	16.1
163.11234	8.9
165.12776	6.1
173.11662	5.9
175.14749	4.7
177.12671	4.1
179.14281	100.0
185.13335	4.9
187.11147	4.0
259.20523	6.5
277.21652	50.3
342.15643	4.0
351.25250	46.6
369.23734	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	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01860	1.5
55.05500	1.2
65.76222	0.9
67.05493	1.4
68.24303	0.9
69.03418	3.0
71.63503	1.0
71.63846	1.4
79.05500	1.9
80.07889	0.9
81.07041	2.0
85.02873	1.1
91.05491	2.0
93.07008	1.8
93.31870	1.0
95.08636	1.1
97.06504	1.6
105.06961	1.2
107.04952	1.4
107.08610	1.6
109.10146	1.4
119.04927	1.5
121.06470	1.4
121.10129	1.2
141.06845	1.1
152.06244	3.9
165.07002	2.5
167.07140	1.2
169.06638	1.1
175.07547	2.4
177.07001	1.1
178.07753	2.9
179.08501	1.7
180.05591	4.6
181.06493	2.8
182.07191	1.4
183.06592	1.3
184.05252	1.8
187.07458	1.1
189.07018	2.6
190.07787	2.1
191.08585	3.4
193.06509	0.9
194.03555	1.3
195.08072	2.1
196.05287	2.1
196.08722	1.3
197.05951	1.4
198.06754	1.3
199.07530	5.0
202.07800	3.3
203.08601	2.0
204.05635	2.1
205.06552	3.8
206.07260	3.8
207.06491	2.5
207.08192	2.2
208.05194	42.6
209.05894	3.4
209.09608	2.1
210.06750	2.6
211.03911	2.3
211.07518	3.6
217.06505	1.8
218.07300	4.8
219.08089	10.4
220.08875	3.9
221.06012	2.7
221.09613	3.3
222.03096	1.4
222.06769	2.8
223.07547	3.8
224.04735	2.2
224.08318	3.9
225.05595	2.2
225.09158	4.5
226.06277	1.7
227.03418	1.1
227.07045	2.7
230.07231	2.1
231.08121	6.7
232.08809	1.6
233.05957	4.9
233.09641	1.5
234.06766	10.0
235.07497	7.0
236.04697	9.9
236.08345	3.8
237.05383	3.0
237.09116	3.1
238.09981	1.2
239.07030	10.9
240.04166	5.4
241.08609	2.6
242.05774	3.0
245.06030	2.0
246.06772	4.5
247.07533	30.6
248.08305	10.7
249.05481	3.6
249.09154	8.8
250.06250	5.2
250.09697	1.1
251.07043	3.5
252.07846	4.5
253.04872	1.9
253.08646	3.7
254.05754	12.8
255.06535	3.3
257.04449	5.2
257.08240	1.5
258.06885	2.0
259.07599	3.6
260.08319	6.5
261.05692	1.0
261.09039	4.0
262.06271	3.7
262.09903	1.8
263.07016	9.4
263.10565	6.4
264.04041	1.4
264.07800	7.7
265.05649	1.6
265.08612	10.2
266.09314	1.2
267.06747	1.4
267.10178	3.6
268.03656	3.5
269.08084	25.6
270.08807	2.7
271.05988	4.4
271.09518	1.5
272.06586	4.6
273.05331	1.7
274.06204	2.2
275.07062	18.3
276.07791	10.5
277.05417	1.1
277.08575	22.5
278.05893	2.7
278.09280	4.7
279.06567	4.2
279.10172	9.9
280.07330	5.4
280.10193	1.2
281.08093	4.1
281.11737	7.2
282.05255	4.8
283.06021	1.4
283.09668	1.6
285.07611	18.8
285.11179	4.0
287.09369	2.3
288.07837	1.2
289.08438	1.6
290.09293	14.0
291.06641	3.0
291.10046	16.7
292.07309	6.1
292.10318	1.3
293.08069	11.7
294.08887	4.3
295.06433	1.5
295.09561	6.6
297.07556	2.8
297.10999	1.1
298.08185	1.6
300.06293	3.5
300.09949	16.0
301.06976	2.2
303.06564	1.3
304.07352	3.9
305.08105	11.6
306.08844	6.9
307.09631	17.9
308.06900	2.1
308.10413	7.2
309.07571	10.1
309.11209	13.2
310.08255	2.2
311.09198	1.5
311.12814	2.8
313.10681	16.6
315.08618	100.0
316.09052	3.5
318.08829	10.1
319.09674	8.9
320.10370	8.4
321.07520	4.0
321.11200	8.8
322.08255	2.0
323.09143	23.9
323.12811	9.0
324.09894	15.2
324.13434	1.6
325.10736	8.6
336.09875	11.1
337.06989	2.4
337.10718	11.4
338.11459	21.9
339.08621	2.2
339.12244	22.3
340.09375	1.5
341.13815	1.9
351.12253	35.0
351.16528	2.1
352.12366	1.8
354.11032	4.3
369.13336	64.5
370.13644	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	369.133
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01882	1.6
57.03461	0.9
63.89104	0.7
69.03467	1.8
71.05021	0.8
71.64891	0.9
74.06113	1.0
81.03426	1.1
85.02937	1.0
91.05519	2.5
95.04990	1.2
95.08665	1.1
97.02886	8.2
97.06557	0.8
99.04505	1.3
100.44944	0.6
105.07011	3.2
107.04996	2.1
107.08628	1.2
109.02907	0.9
115.05511	1.3
119.08633	0.8
121.06571	1.5
123.04408	0.8
127.03952	1.1
128.06252	0.9
129.07059	0.8
131.04977	2.2
131.08546	0.7
132.05681	0.8
133.06549	1.0
133.10202	1.7
137.05971	1.3
141.07076	0.8
143.08595	1.3
145.06485	1.6
147.04482	1.0
147.08057	1.0
147.27058	0.6
152.06270	0.9
159.08075	0.9
161.06042	0.7
161.09648	2.3
165.05629	1.1
165.06920	3.5
166.07794	1.4
167.07124	0.9
167.08614	1.6
175.03992	0.7
175.07611	2.1
176.06313	0.8
177.07004	1.1
178.07846	2.7
179.08606	2.0
179.10796	0.8
181.06535	1.9
181.10095	0.9
182.07375	0.8
183.06578	0.8
185.05995	0.8
187.07588	1.5
189.07042	2.5
190.07840	2.7
191.08548	3.4
193.06593	1.3
194.07281	3.9
195.08109	1.9
199.07513	5.8
202.07777	4.7
203.08582	4.6
205.06538	4.7
206.07286	2.5
207.06447	1.0
207.08092	5.4
208.05367	0.7
208.08934	1.3
209.09698	2.6
210.06729	1.0
211.07709	1.1
215.08672	1.3
217.06514	0.8
218.07286	3.7
219.08049	8.0
220.05261	1.3
220.08887	3.0
221.06061	2.6
221.09656	2.7
222.06781	4.5
223.07629	1.9
224.08229	1.1
230.07326	1.7
231.08012	5.9
232.08836	2.5
233.06003	1.9
233.09743	1.6
234.06712	3.3
235.07518	5.3
236.08348	3.0
237.05437	0.9
237.09042	6.1
238.06248	2.9
245.06075	0.7
246.06784	1.5
247.07561	6.2
248.08311	6.2
249.05461	1.5
249.09010	5.3
250.06232	3.8
250.09993	1.6
251.07034	4.7
251.10718	1.4
252.07814	2.3
253.08524	0.7
258.06747	0.7
259.07599	2.1
260.08450	1.7
261.05554	0.9
261.09143	2.3
262.06342	1.2
262.09885	2.6
263.07089	4.2
263.10693	2.2
264.07809	4.0
265.08569	14.4
266.05817	0.9
266.09399	3.7
267.06448	0.9
274.09869	0.8
275.07056	1.8
276.07840	2.4
277.08636	3.4
278.05844	1.3
278.09357	3.0
279.06512	3.9
279.09888	4.4
280.07352	1.6
280.10739	1.4
281.08054	1.4
281.11646	1.1
282.08884	1.0
283.09808	0.9
290.09500	1.1
291.10141	13.6
292.07220	1.0
293.08102	4.9
293.10944	0.8
294.08792	7.0
294.11639	1.0
295.09586	2.1
304.07321	1.0
305.08237	2.0
307.09720	5.6
308.10336	1.9
309.11203	12.6
311.09137	1.2
311.12769	2.1
319.09622	6.3
322.08337	2.1
323.09091	1.8
336.09921	1.0
337.10684	100.0
338.11179	9.1
339.12238	3.1
341.14001	1.0
351.12305	1.0
354.11063	0.8
369.13278	21.3
370.13464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15050	1.6
56.96562	28.8
61.02928	4.0
69.03423	6.6
70.54208	7.1
73.02914	6.9
75.73870	1.8
84.96053	3.1
85.02911	10.2
89.03923	2.0
92.09140	1.7
97.02887	3.5
98.97585	89.4
100.99155	16.3
110.97565	15.3
112.99114	10.0
116.98615	38.8
119.00195	7.5
119.01846	2.4
120.79421	1.8
127.03919	3.0
128.98602	19.9
131.00156	17.0
134.99632	8.2
140.00142	2.4
140.96848	2.1
143.00157	40.6
146.99652	19.3
149.01216	8.4
158.99719	9.5
161.01218	47.3
162.99181	4.3
163.02730	2.0
163.03905	10.2
164.04282	3.4
165.00723	21.5
170.01344	1.9
170.99646	8.1
173.01234	5.7
176.99321	2.1
177.00621	10.0
179.02228	6.6
182.03343	2.0
183.01813	11.7
187.04601	2.4
189.00681	24.4
191.02301	5.3
191.03859	4.2
193.03676	2.1
198.04651	2.1
201.00763	6.4
207.01775	100.0
207.05171	7.9
209.05069	1.7
219.01772	14.1
220.07051	1.7
221.24182	2.0
225.02821	34.9
230.03348	4.6
231.01692	4.4
237.02806	19.1
249.02815	70.7
251.04361	3.5
255.03847	10.4
261.02826	7.6
267.03882	60.5
269.05368	4.1
272.06610	6.7
279.03900	29.0
279.07275	8.6
279.57413	2.5
285.99945	1.8
288.07916	4.5
290.05396	3.7
291.03918	6.9
293.08878	3.8
297.04849	10.5
306.76071	2.1
309.04852	7.4
309.08148	2.1
321.04907	4.3
324.08630	1.9
327.06073	3.9
340.22659	1.9
369.06332	4.4
369.10562	2.2
369.14755	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	369.118
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.39974	1.3
55.01878	2.3
55.05495	1.8
57.03416	2.7
58.06601	19.6
61.01137	1.4
67.05487	3.2
69.03417	7.1
70.06583	10.8
71.63632	2.2
72.08147	3.4
79.05478	2.8
81.03394	4.3
81.07039	3.4
83.04977	2.3
84.04469	3.4
84.08134	4.6
85.02912	10.6
86.09695	5.1
87.00835	2.0
89.03922	9.1
91.05460	5.9
93.07023	2.5
94.07384	1.3
95.04946	3.5
97.02856	3.2
97.06496	1.8
98.06046	1.7
103.05450	2.1
105.07013	3.7
107.04932	3.7
107.08562	1.5
109.02872	2.7
109.06498	1.7
111.04427	1.7
117.03377	23.8
117.07030	3.8
119.04971	2.9
119.08586	2.8
120.08046	2.8
121.06483	3.5
123.04363	3.4
123.11707	2.7
127.03867	3.7
129.05457	2.0
129.10240	2.9
131.08562	2.0
133.06467	2.1
133.10074	1.7
134.03654	2.4
135.04439	2.9
135.08020	2.8
136.06163	5.2
137.05984	4.8
145.02844	52.1
145.03992	3.0
145.06454	5.9
146.03165	2.3
147.04335	3.4
149.05984	8.5
151.03871	2.0
151.07487	2.1
151.08672	1.5
159.11497	1.6
161.05949	2.4
163.07568	9.5
169.06364	1.4
175.03902	3.1
177.05472	100.0
178.05829	3.9
179.03375	5.2
186.05447	2.2
192.10158	7.5
207.06512	6.6
207.13739	1.7
211.07544	5.8
215.06941	1.9
220.07616	2.2
233.24953	1.7
239.06981	5.9
240.07735	3.4
242.11729	1.8
252.10225	1.6
262.06378	1.7
267.10275	1.8
270.08826	4.4
271.09613	4.0
272.10434	2.3
280.09848	2.7
286.10925	3.2
326.11121	2.5
341.26382	1.7
351.11780	1.9
369.13504	6.0
369.18182	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	368.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.1
55.05509	16.0
57.03437	3.9
67.05499	13.8
69.03412	6.4
69.07078	10.6
71.08631	12.1
71.64289	3.9
72.04510	99.8
72.08965	3.6
79.05491	14.8
79.43468	2.3
81.07051	15.3
83.04929	3.5
85.06523	2.7
91.05463	9.8
93.07047	22.6
95.04959	9.5
95.08578	9.8
97.02868	12.7
97.06505	3.1
97.10162	7.4
99.04403	2.4
99.08076	12.2
100.07599	2.4
105.07022	9.3
107.08591	7.5
109.10167	4.5
111.04440	7.7
113.05978	4.7
114.09148	9.5
117.07050	3.0
119.08574	8.7
121.06494	7.8
121.10161	11.8
123.04429	24.7
125.09635	3.1
128.10658	5.5
131.08537	15.4
133.10103	4.6
139.11212	4.4
143.08565	4.9
145.10118	4.4
147.08060	3.5
149.09584	14.2
149.13297	2.2
157.10121	4.3
161.13229	6.1
167.10677	20.9
171.11632	2.9
184.16960	66.5
189.12793	4.6
202.18015	100.0
207.13721	2.6
232.40096	2.4
235.13374	4.1
240.10951	2.3
253.14334	14.2
276.20297	5.5
280.19055	48.6
293.21078	9.0
294.21417	40.1
368.24542	11.2
369.24713	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	368.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.0
54.18509	4.2
55.05503	27.1
55.80587	5.3
56.05825	7.7
57.07055	15.3
65.03934	8.1
66.23273	5.5
67.05504	53.8
68.05846	10.3
69.07080	38.0
70.07372	8.3
70.27037	14.6
70.27446	12.6
79.05490	44.3
80.05819	16.3
81.07053	71.7
82.07384	24.3
83.04954	6.9
83.08605	12.3
85.06542	11.5
91.05470	63.4
92.05814	20.5
93.07040	100.0
94.07353	37.7
95.04962	39.8
95.08603	56.2
96.05274	16.8
96.08920	23.0
97.06530	16.5
101.25978	4.8
103.05436	5.8
105.07025	93.9
106.07361	48.4
107.08591	65.2
107.28944	5.7
108.08931	25.0
109.06497	12.9
109.10155	37.1
110.06859	5.8
110.10490	22.5
115.05451	5.4
117.07019	16.2
118.07384	13.1
119.08565	92.6
120.08884	48.0
121.06495	8.4
121.10136	45.4
122.06769	6.9
122.10479	20.0
123.08080	7.8
123.11675	15.1
124.12039	9.0
128.06241	9.6
129.06935	17.3
130.07582	4.7
131.08578	50.3
132.08888	31.1
133.10114	56.0
134.10464	44.2
135.08072	22.3
135.11696	19.3
136.08391	9.8
136.12047	9.5
137.09578	6.4
141.07007	6.8
142.07727	12.1
143.08603	30.3
144.08856	24.7
145.10132	56.9
146.10466	50.4
147.11662	16.7
148.12001	16.1
149.09612	16.2
150.09935	13.2
155.08522	12.7
156.09225	10.2
157.10147	39.4
158.10463	33.9
159.11713	31.7
160.12036	23.7
161.09659	35.0
161.13275	10.9
162.09955	21.7
168.09164	8.5
169.10129	11.6
170.10556	17.3
171.11632	21.5
172.12076	18.2
173.09645	6.8
173.13225	19.6
174.13589	17.4
175.11258	10.6
175.14810	13.1
176.15123	15.1
180.09084	7.7
182.10562	11.7
183.11546	16.5
184.12111	21.8
185.13168	15.9
186.13574	10.0
187.14754	10.5
188.15182	13.1
194.10681	7.8
195.11517	17.7
196.12105	12.9
197.13147	9.1
198.13632	11.0
199.14656	14.5
200.15169	13.9
201.16428	6.9
202.16743	8.8
207.11562	6.1
209.13194	14.1
210.13588	27.8
211.14731	11.3
212.15080	8.6
213.16411	6.4
224.15186	7.3
226.16541	6.3
227.14279	5.6
228.14734	12.2
240.18256	11.6
314.75235	5.4
342.42554	6.3
350.25446	11.7
368.26581	44.3
368.42725	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	368.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81993	0.2
55.01872	0.2
55.05479	0.3
56.05034	21.3
62.06092	0.2
67.05497	0.5
69.03416	0.4
69.82898	1.3
71.31486	0.2
72.04516	0.6
74.06078	100.0
75.06419	0.5
76.99831	0.2
79.05492	0.8
80.04995	0.3
81.07063	0.9
87.04488	0.2
91.05474	1.3
93.07032	1.0
94.06571	0.4
95.04954	0.3
95.08606	0.4
97.02901	0.8
99.04468	0.5
100.07646	0.4
105.07023	3.8
105.07677	0.4
107.08603	1.3
108.07310	0.2
108.08098	0.5
112.07605	0.4
114.05546	0.3
116.07026	0.2
117.07022	0.7
119.08576	1.6
120.08104	0.3
121.06487	0.2
121.10091	0.2
123.11730	0.2
124.07596	0.9
128.06230	0.4
129.07018	0.6
130.07784	0.3
131.08563	1.9
133.10150	0.9
135.08063	0.3
138.09186	0.4
142.07811	0.8
143.08572	1.1
144.09276	0.3
145.10106	1.4
147.08101	0.3
147.11694	0.6
149.13275	0.5
151.11172	0.6
152.07080	0.6
155.08551	0.4
157.10092	1.1
159.08090	0.6
159.11682	1.8
161.09619	0.4
168.09337	0.4
169.10106	0.2
170.08090	1.4
171.11668	0.7
173.13284	0.6
175.11171	1.7
183.11661	1.5
184.09732	0.5
185.13268	0.6
187.11122	1.0
189.12750	0.9
199.11166	0.3
201.12714	1.4
203.14288	0.5
204.13876	0.7
217.12227	1.8
218.15321	0.3
222.11299	0.4
229.12201	1.2
234.11223	0.4
235.13324	0.6
237.98865	0.2
238.14452	0.3
244.16943	0.3
247.13345	0.9
250.14452	1.4
262.18073	0.9
272.16476	0.5
280.19116	0.5
290.17474	3.0
298.16711	0.3
307.15472	0.3
308.18539	10.3
309.18878	0.5
326.19617	0.2
337.10870	0.3
350.19531	0.2
351.12375	0.3
368.20682	12.1
369.21124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.9
67.05492	4.9
68.05834	0.9
69.03418	1.2
69.07065	1.7
69.89368	1.0
71.64394	1.6
79.05477	2.8
81.07052	2.4
86.06071	12.9
91.05474	3.5
93.07031	1.9
95.08551	1.6
103.07574	1.7
105.07035	2.7
106.07333	2.1
107.08556	2.5
109.10104	1.2
117.07050	1.3
119.08590	1.3
131.08566	1.3
133.10065	1.5
143.08513	1.4
145.10107	1.3
151.11247	1.4
153.66393	0.9
162.75648	1.0
165.07054	2.0
178.07764	2.4
179.08521	1.3
190.07745	2.2
191.08583	2.1
192.09404	1.5
193.06418	1.3
195.08046	2.2
196.09003	1.3
205.06380	2.6
206.07205	3.6
208.08824	9.3
209.09569	2.1
218.07170	1.9
219.08084	4.7
220.08818	1.8
221.05939	3.3
221.09642	7.6
223.07535	2.6
223.11211	2.8
233.05931	4.3
233.09633	1.6
234.06743	1.8
235.07544	4.6
236.08308	17.0
236.10693	4.6
237.09006	2.4
238.09784	1.3
246.06654	2.5
247.07498	4.0
248.08315	2.7
249.05495	1.5
249.08931	3.9
251.07079	5.5
251.10687	14.6
262.08585	5.2
263.06958	8.7
263.09433	10.7
264.07758	10.9
264.10245	6.9
265.08554	4.3
271.09695	1.1
276.10190	4.5
276.20410	1.3
277.08383	2.7
277.11020	5.1
278.09332	3.3
279.06512	6.2
279.10123	19.5
280.07385	2.2
292.09576	1.5
293.07898	5.1
294.08701	17.5
294.11261	48.5
306.11188	7.2
309.11221	100.0
310.11557	2.3
336.12314	43.9
368.15109	5.8
368.23801	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05519	0.5
55.51448	0.4
56.05036	22.5
58.06594	0.5
62.06091	0.8
67.05499	0.6
71.63639	0.4
72.04520	0.9
74.06079	100.0
75.06395	0.4
75.69795	0.3
79.05501	1.0
81.03407	0.4
81.07060	1.0
82.10982	0.3
88.03987	0.4
91.05495	1.8
93.07029	1.5
94.06576	0.5
97.02905	0.6
98.52992	0.3
100.07637	0.5
102.49819	0.3
103.05421	0.5
105.07034	6.1
107.08600	1.2
108.08185	0.4
114.05505	0.8
116.07087	0.4
117.07027	0.8
119.08578	1.7
121.10175	0.5
124.07577	0.8
129.07034	0.7
131.08580	2.2
133.10138	1.0
137.21555	0.3
142.07802	1.0
143.08548	1.1
144.09297	0.3
145.06526	0.7
145.10147	1.1
149.13263	1.2
152.07021	0.4
155.08623	0.4
157.10164	2.2
159.07950	0.5
159.11687	2.9
168.09387	0.5
170.08195	1.0
171.11732	0.4
173.13277	0.7
175.11205	2.4
177.12729	0.3
183.11685	2.1
185.13271	1.3
186.35693	0.3
187.11180	1.6
189.12744	0.9
201.12762	1.6
203.14316	0.7
204.13782	0.9
211.11156	0.6
217.12222	2.3
229.12335	1.3
235.13330	0.4
236.43079	0.4
246.18651	0.4
247.13306	1.3
250.14470	0.6
262.17981	0.7
272.16431	0.5
280.05988	0.4
280.19208	0.3
290.17468	2.7
293.06699	0.5
308.05780	0.4
308.18564	11.4
309.06052	0.5
324.08429	0.4
368.16098	0.8
368.20667	11.2
368.25061	0.8
369.34094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83497	0.2
55.01878	0.4
57.03439	0.5
61.02914	1.2
69.03424	2.6
69.21207	0.3
71.04993	0.3
71.21608	0.6
73.02931	0.5
81.03416	1.1
85.02898	7.3
87.04446	0.4
91.03954	0.4
97.02883	2.5
99.04449	0.4
109.02855	0.7
127.03920	1.1
132.04443	8.8
143.03389	0.2
145.04974	1.0
152.97588	0.3
160.03854	0.4
178.04979	73.4
179.05377	1.8
206.04466	100.0
207.04794	3.3
207.31873	0.2
226.58752	0.3
293.01025	0.3
363.85648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
55.05504	6.3
57.07079	1.9
67.05499	11.5
69.06717	2.6
69.07066	34.0
71.08657	1.6
71.65454	2.2
77.70956	1.8
79.05498	10.4
81.07053	32.5
83.08598	4.5
85.91550	1.7
91.05471	11.3
93.07040	17.7
95.04951	2.5
95.08603	26.8
105.06373	2.7
105.07027	27.7
107.08596	15.4
109.10155	11.0
111.08080	2.0
117.07014	6.6
119.08591	15.7
121.06544	2.0
121.10119	15.1
123.11727	4.4
123.30080	1.8
125.05956	3.4
128.06114	1.8
129.06984	5.1
131.08559	13.1
133.10109	9.5
135.11693	5.6
136.12000	1.9
137.05930	2.5
139.07535	5.5
141.06979	5.9
142.07811	1.7
143.08551	10.0
144.09384	1.8
145.10085	11.0
147.07932	1.8
147.11687	6.4
149.05884	1.8
149.13269	3.3
155.08534	7.5
157.10121	13.7
159.11688	31.4
161.13254	27.0
163.14755	4.1
167.08589	3.2
168.09439	1.7
169.10158	11.3
169.11354	1.9
171.11710	9.1
173.13281	6.5
175.14786	2.4
175.63010	1.7
181.10092	5.3
183.11696	13.1
185.13223	9.3
187.14821	3.9
188.18356	1.7
195.11639	8.4
197.13228	9.0
199.14812	6.2
201.09204	2.5
205.12245	4.9
207.13884	1.9
209.13278	6.8
211.14781	7.0
213.16357	6.0
223.14864	7.9
224.75436	2.1
225.16411	9.1
227.10391	1.7
229.12239	3.4
237.16391	4.3
239.17914	8.3
241.19368	2.1
243.13889	3.3
251.17999	5.6
253.19614	4.5
255.13795	3.2
257.15540	2.4
265.19519	13.6
267.21323	2.5
279.21100	3.5
293.88638	1.9
297.18491	9.1
299.20108	4.8
311.20047	11.8
314.17749	1.9
321.25763	42.8
322.26044	2.2
323.27432	3.1
339.26697	3.0
349.25232	6.0
367.26331	100.0
368.26517	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	367.263
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
51.25796	1.6
55.05518	9.1
57.07073	2.9
63.65963	1.4
65.03940	1.5
67.05498	14.8
69.07066	18.9
69.40820	16.5
70.64317	1.4
79.05480	11.8
81.07053	34.9
81.30548	1.3
83.04974	7.3
83.08610	5.5
85.06524	1.6
91.05487	15.7
93.07037	24.9
95.04921	2.7
95.08592	23.2
95.09673	1.3
97.10152	1.8
102.58888	1.4
105.07020	29.8
107.08588	25.2
108.08920	1.7
109.10148	21.0
115.05440	2.5
117.07025	8.6
119.08578	21.7
119.09367	2.8
121.06472	2.1
121.10126	18.7
123.04365	1.5
123.11703	6.5
125.09633	1.7
128.06242	2.2
129.06989	8.3
131.08578	17.5
133.10126	13.9
135.11655	8.9
137.13254	2.4
141.06947	3.6
142.07774	4.5
143.08548	16.3
144.09337	2.6
145.10104	16.2
147.11668	17.9
149.13223	2.4
155.08499	9.0
156.09286	2.4
157.10112	18.0
159.08086	2.3
159.11699	24.0
161.13261	11.0
163.07452	1.7
163.14828	3.8
167.08546	3.5
169.10144	13.3
170.10931	1.9
171.11699	15.9
173.13257	11.3
175.14786	5.3
181.10123	5.9
182.10910	2.2
183.11702	15.4
185.13258	8.8
187.11156	1.7
187.14761	8.4
189.09016	1.5
189.12743	3.3
194.11024	2.7
195.11655	10.9
196.12479	2.2
197.13231	10.3
199.14803	11.5
201.09184	1.7
201.16396	6.0
209.13231	14.6
210.23959	1.3
211.14760	11.1
213.16362	9.4
215.17938	4.1
221.13248	2.1
223.14758	9.6
225.16345	12.1
227.10744	1.8
227.17934	6.2
229.12225	1.8
237.16383	10.8
239.17953	10.5
241.19557	5.4
243.13892	3.9
245.15428	3.5
251.17908	10.8
253.15736	2.0
253.19609	3.9
255.13846	2.1
257.15271	4.4
263.30893	1.8
265.19574	15.0
267.21082	4.6
269.15347	3.1
271.16809	4.5
279.21149	5.7
281.22662	3.7
283.16916	7.5
285.18387	2.0
293.22580	4.8
297.18445	6.3
299.20160	2.2
311.20065	7.7
321.25717	62.2
322.26120	4.3
323.27298	12.3
325.21646	1.9
339.26846	6.5
349.25229	12.9
367.26312	100.0
368.26437	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05513	8.6
65.03948	1.3
67.05167	1.3
67.05508	13.9
69.07071	96.1
70.45544	4.7
79.05504	11.5
81.07057	47.0
83.08626	3.0
84.26292	1.3
91.05474	17.0
93.07043	32.5
95.04979	2.2
95.08607	27.8
97.06519	2.6
97.10173	1.3
103.05450	1.4
105.07034	61.0
107.08592	24.8
109.06535	2.5
109.10179	10.2
111.08130	1.5
117.07011	8.5
119.04916	2.4
119.08582	30.5
119.27245	1.2
121.06538	3.3
121.10154	16.1
123.11691	4.6
129.07025	5.0
130.07831	2.3
131.08554	13.8
133.10139	16.3
135.11696	7.9
137.05968	2.1
137.09636	5.3
139.07553	11.2
141.07016	1.2
142.07791	2.8
143.08618	9.1
144.09349	3.3
145.10133	14.0
147.11700	9.6
149.06003	2.0
149.13278	3.8
151.07541	2.9
155.08557	6.4
156.09306	1.8
157.10147	16.8
159.11699	47.9
160.12155	1.6
161.13260	33.8
163.14848	11.6
167.08600	2.3
169.10094	6.8
171.11722	9.7
173.13281	7.5
175.11176	1.4
175.14861	4.6
177.09227	1.5
177.12747	3.5
179.14365	8.5
181.10120	4.6
183.11652	8.2
185.13271	7.0
187.14890	3.8
189.09052	1.3
189.12747	4.8
189.16354	1.8
191.14374	1.4
194.10959	1.5
195.11769	7.1
196.12531	1.3
197.13231	6.3
199.14832	8.2
201.16353	2.2
205.12215	2.5
207.13902	1.3
209.13298	4.7
210.14165	1.7
211.14774	5.8
213.16402	5.7
215.14348	1.5
215.18010	2.3
221.13248	1.7
223.14824	7.6
225.16380	4.5
227.17957	2.4
231.13866	2.7
237.16425	5.4
239.17966	5.1
241.19695	2.1
243.13870	3.4
251.17967	6.0
251.51822	1.4
253.19553	6.3
255.13794	1.5
265.19495	7.9
267.21188	2.4
269.15475	4.0
269.18887	2.8
279.17343	1.4
279.21167	3.6
280.21686	1.5
281.22430	2.5
287.20139	1.6
293.18985	1.3
297.18616	2.8
299.20016	3.4
311.20074	6.3
321.25784	22.1
323.27411	5.1
331.24167	3.3
339.26718	6.1
349.25354	11.4
367.26334	100.0
368.26688	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	367.263
Annotation	homo-Plakotenin
Peak:m/z	Relative Intensity
52.64729	1.7
53.03948	1.8
55.05513	14.7
57.07073	3.4
67.05506	12.4
69.06718	3.1
69.07070	34.8
70.22052	4.1
70.22450	3.9
79.05492	10.8
81.07063	28.6
83.04974	2.0
83.08609	10.1
91.05476	13.8
93.07048	25.6
95.04958	1.7
95.08608	31.3
97.10151	3.4
98.20854	1.8
105.07039	34.5
107.08598	24.7
109.10171	14.2
116.61743	1.7
117.07021	6.8
119.08599	18.5
121.10139	13.0
123.11715	7.1
128.06241	3.2
129.06998	14.1
131.08563	15.4
133.10132	16.2
135.11685	10.9
137.09541	2.0
137.13226	2.3
139.07547	6.7
141.07018	5.9
142.07779	6.6
143.08583	24.6
144.09348	3.2
145.10130	20.6
147.11639	13.1
149.05940	1.9
149.13177	3.3
155.08536	13.6
156.09337	2.8
157.10141	30.8
159.11696	38.0
160.12137	2.1
161.13275	20.8
163.14787	5.9
167.08630	2.4
169.10146	18.8
171.11714	13.8
173.13264	11.6
175.14853	4.6
181.10112	4.1
182.10985	3.2
183.11693	27.1
184.12329	2.1
185.13239	23.3
187.07555	2.5
187.14868	6.4
189.12802	3.3
189.16284	2.1
195.11638	8.9
196.12486	2.9
197.13249	20.5
197.20653	1.8
198.13788	2.0
199.14836	31.3
201.16447	6.7
205.12224	2.8
207.11732	2.2
209.13249	12.2
211.11510	2.6
211.14816	24.4
213.16365	39.0
223.14899	10.0
225.16386	20.3
227.17986	5.5
231.13768	4.7
237.16432	7.4
239.14330	2.3
239.17973	22.5
241.19562	3.6
243.13890	3.1
245.15236	3.9
251.18001	6.4
253.19540	12.5
254.20273	10.6
255.21202	3.0
265.19455	17.8
267.21127	14.4
269.15286	3.4
279.21112	6.9
280.01770	1.9
281.22659	6.5
283.20557	2.9
285.18350	2.5
293.19174	1.9
297.18445	2.5
299.20129	5.2
311.20090	11.2
321.25754	39.2
322.26343	2.4
323.27307	35.7
339.27048	8.7
349.25314	7.3
367.26367	100.0
368.26770	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.6
57.07054	2.0
67.05505	14.4
69.06261	1.7
69.07064	17.5
69.37629	10.1
69.38049	5.5
79.05486	7.7
81.06640	2.6
81.07059	26.0
83.04974	1.7
83.08614	5.5
84.23652	1.8
88.45736	1.8
91.05470	7.9
93.07050	23.0
95.08602	20.5
97.10172	3.2
97.37888	1.4
98.20719	2.8
105.07020	27.2
107.08600	19.4
109.10152	25.7
117.06988	6.9
119.08562	18.5
121.10137	19.5
123.08051	1.9
123.11691	6.9
129.06975	3.7
131.08557	12.5
133.10162	9.7
135.11710	9.5
137.13300	2.4
139.07462	1.9
141.07025	1.9
142.07739	3.1
143.08543	13.2
145.10098	14.9
147.11685	10.8
149.13240	5.2
155.08540	8.9
156.09290	2.8
157.10124	17.4
159.11688	31.3
161.13249	18.0
163.14810	2.9
169.10107	9.4
171.11717	10.4
173.13223	12.3
175.14867	4.8
181.10188	3.4
182.10869	2.3
183.11678	10.0
185.13245	7.9
187.14781	8.0
189.08984	2.5
195.11699	8.9
197.13191	8.8
199.14804	10.4
201.16420	5.7
207.11819	1.8
209.13330	7.8
211.14774	9.3
213.16434	9.1
215.17963	4.4
221.13130	2.0
223.14825	7.0
225.16325	9.0
227.17950	4.6
229.12292	1.7
230.20976	1.6
231.13792	2.2
233.15347	2.3
237.16380	8.3
239.17897	6.9
243.13803	4.0
251.17972	9.6
253.19440	3.9
255.21341	1.7
257.15445	2.5
265.19559	11.8
267.21179	3.1
271.17035	3.0
279.21017	5.0
281.22583	3.7
283.16949	3.9
285.18561	1.9
297.18506	4.9
311.20038	7.4
321.25754	58.6
322.26169	4.5
323.27423	14.8
325.21643	1.7
339.26791	6.7
349.25226	13.8
367.26321	100.0
368.26456	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43946	1.2
53.03945	1.3
55.05503	5.7
57.03421	1.3
58.60029	1.2
65.03961	1.4
67.05501	10.1
69.01527	1.1
69.07063	29.4
70.58623	3.5
79.05494	13.8
81.07051	32.4
83.04981	2.0
83.08595	3.0
85.06533	2.7
91.05471	12.7
93.07039	26.4
95.04974	2.2
95.08041	1.4
95.08610	16.8
97.06526	7.0
105.07027	41.0
107.08592	24.4
109.06482	2.3
109.10156	7.8
115.05449	1.6
117.06994	6.1
117.18314	1.1
119.04820	1.1
119.07781	2.0
119.08577	29.8
121.06504	9.3
121.10147	12.5
123.08095	2.0
123.11712	3.3
128.06242	2.0
129.06999	5.1
131.08575	13.4
133.06491	1.5
133.10120	16.1
135.08104	1.1
135.11691	8.9
137.09610	3.1
139.07518	2.7
139.57133	1.0
141.06955	2.0
142.07767	2.7
143.08537	11.2
144.09340	2.5
145.10094	11.7
147.08018	9.2
147.11708	11.3
147.22572	1.2
149.09631	2.5
149.13258	4.3
155.08559	5.0
156.09341	3.2
157.10162	11.7
158.10876	1.3
159.08049	1.6
159.11682	39.1
161.09627	4.0
161.13254	31.4
162.13542	1.5
163.11201	2.5
163.14822	3.2
165.12697	1.4
169.10136	5.4
170.10837	1.3
170.58327	1.2
171.11714	9.9
173.09659	1.5
173.13235	7.0
174.10382	1.3
175.11192	4.5
175.14841	3.0
177.12718	7.9
179.14328	2.4
181.10132	2.7
182.10866	1.5
183.11687	5.6
185.13190	8.1
187.11174	1.9
187.14825	2.3
189.12741	100.0
190.13507	7.6
191.14282	4.5
195.11725	4.0
197.13278	5.7
199.14803	5.6
201.12801	1.8
201.16296	2.0
203.14313	2.4
205.12268	2.8
209.13264	6.8
211.11215	1.2
211.14827	4.2
213.12645	1.4
213.16412	3.5
215.14404	1.8
223.14813	4.2
225.16367	5.2
227.17783	1.7
229.12370	1.4
229.15964	1.6
237.16351	3.8
239.14267	1.3
239.18007	3.9
243.13760	4.4
251.18031	5.3
253.19464	2.8
256.19238	1.3
265.19556	7.4
267.21051	2.3
279.21271	2.7
281.22565	1.5
285.18454	2.5
299.20078	2.4
309.22260	1.8
311.20068	3.7
321.25726	20.6
323.27347	3.1
331.50641	1.2
339.26831	7.9
349.25211	13.7
367.26321	75.0
368.26587	4.5
368.31329	1.2
380.75742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	12.2
55.05498	18.2
57.07081	9.6
61.62277	5.0
65.03939	5.5
67.05509	35.6
69.03423	9.5
69.07066	31.1
69.96157	25.8
77.03941	5.1
79.05500	34.0
81.07053	53.3
83.04969	5.3
83.08614	10.3
85.06529	8.0
91.05471	67.7
93.07053	91.8
95.04970	41.2
95.08603	60.3
97.06535	10.1
105.07024	100.0
107.05003	4.4
107.08590	66.3
109.06510	13.4
109.10155	44.7
111.08103	5.0
117.07009	27.7
119.08584	96.4
121.06525	10.5
121.10142	46.3
123.08031	7.5
123.11674	17.1
127.93418	4.5
128.06226	17.3
129.06976	19.0
130.07735	5.6
131.08566	70.3
133.10121	68.7
135.08022	27.5
135.11681	21.4
137.09627	10.0
141.06931	10.3
142.07782	19.9
143.08566	34.3
144.09351	14.3
145.10127	59.4
147.08057	7.6
147.11674	21.5
149.09615	13.5
155.08563	13.7
156.09373	13.0
157.10143	65.8
158.10872	11.8
159.08087	6.6
159.11711	47.4
160.12012	7.9
161.09601	48.1
161.13261	6.2
162.33994	4.3
163.11087	7.5
165.06934	5.6
168.09323	5.8
169.10109	19.2
170.10844	9.8
171.11746	30.7
173.09567	7.8
173.13295	29.9
175.11226	11.2
175.14856	22.0
179.08534	14.5
181.10143	12.4
183.11676	32.0
184.12193	4.7
185.09674	4.5
185.13231	20.4
187.14833	15.5
193.10130	5.9
194.10913	5.4
195.11697	20.7
196.12453	8.0
197.13196	18.4
199.14818	18.5
201.12614	6.4
201.16341	7.1
207.11589	5.6
209.13266	23.7
211.14787	7.8
213.12650	7.3
221.13446	7.1
223.14767	7.3
227.14294	24.0
237.16374	7.9
239.17915	12.4
249.16446	6.2
253.19418	5.9
255.17528	10.1
257.18994	5.2
265.19330	5.3
269.19034	5.2
321.25107	5.6
349.25125	8.3
367.26041	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01871	20.2
55.05254	3.0
55.05507	41.4
57.03429	21.4
57.07068	7.9
65.03933	5.3
67.05499	100.0
67.05863	4.8
69.03423	5.8
69.07061	22.9
69.37822	1.8
69.41898	1.7
69.58117	1.9
69.77553	14.2
71.04983	5.9
71.08625	11.3
79.05485	53.7
81.03412	14.6
81.06565	4.1
81.07050	82.9
83.04977	20.6
83.08616	19.3
85.06526	11.4
91.05472	89.2
92.05837	2.3
93.07032	46.3
95.04961	25.3
95.08035	1.6
95.08594	40.2
97.02867	4.2
97.06503	9.5
97.10158	7.1
99.04459	3.2
99.08098	10.2
100.20703	1.9
105.07021	55.4
107.04963	16.8
107.08587	50.6
107.27795	2.4
108.13762	2.0
109.06519	10.3
109.10152	49.4
111.04432	5.4
111.08082	4.5
113.06023	2.6
113.09631	2.7
117.07001	11.5
119.08576	20.6
121.06500	6.6
121.10146	14.9
123.04406	2.1
123.08068	12.1
123.11678	13.6
125.09622	9.8
127.07565	3.7
128.06258	2.8
131.08562	17.2
133.06512	2.6
133.10121	86.1
134.10460	3.2
135.08057	3.8
135.11700	13.7
137.09608	12.5
143.08672	3.6
145.10098	15.6
147.08089	2.8
147.11687	10.5
149.09621	9.4
149.13280	7.6
151.11169	40.5
155.08588	2.0
157.10156	2.2
159.11685	8.9
161.09633	6.3
161.13332	4.4
163.11192	11.4
163.14850	4.7
165.09149	5.3
169.12268	7.9
173.09642	3.3
173.13223	6.0
175.03867	2.7
175.11137	2.4
177.12787	6.3
179.10667	4.5
183.11639	3.1
195.13811	3.5
201.12653	2.5
209.11609	3.7
229.19536	3.7
245.71587	2.2
247.20587	3.8
253.14401	5.9
254.51889	2.2
257.19006	4.8
275.20047	35.3
278.18173	2.1
293.21112	11.0
349.23926	7.5
367.24915	40.7
368.25198	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.8
55.01805	4.0
55.05443	18.5
55.05740	2.3
57.03366	6.8
57.07032	1.4
59.04963	0.8
65.03886	1.4
67.05430	20.6
67.05828	2.0
68.48025	0.6
69.03358	3.0
69.06992	14.0
70.06540	0.7
71.04942	1.5
71.08554	38.0
71.08991	3.2
71.62625	1.2
77.64024	0.7
79.05493	15.9
79.05914	0.9
79.82604	0.6
81.03413	6.7
81.07052	18.8
81.07488	0.9
83.04986	4.6
83.08614	8.5
85.06490	1.4
89.53099	0.7
91.05484	10.2
93.07040	12.4
95.04960	8.3
95.08607	9.5
97.06464	3.1
97.10169	10.6
99.08094	31.6
99.08686	1.2
104.29926	0.8
105.07027	7.9
107.04945	3.6
107.08597	10.3
109.06409	2.9
109.10158	6.8
111.04371	1.2
111.07975	2.0
111.11693	0.8
117.07031	3.6
119.08585	5.3
121.06501	3.8
121.10156	4.0
123.07986	1.9
125.09625	8.5
129.06915	1.7
131.08589	4.8
133.10129	4.0
135.07947	3.0
135.11722	4.0
135.12535	0.8
139.11105	2.6
143.08499	1.5
145.10110	3.5
147.08040	0.9
147.11612	2.3
149.09528	2.3
149.13177	2.9
151.11183	3.9
153.09079	1.5
157.10080	1.9
159.11581	2.4
161.09535	1.3
161.13242	1.1
163.11107	2.0
165.12691	2.7
167.08476	0.7
167.10623	2.9
167.14308	0.9
169.10110	1.0
171.11710	0.8
173.13162	1.4
175.03783	1.3
177.12767	4.7
183.11665	1.7
183.22496	0.8
185.13174	1.1
189.11218	8.2
193.12128	1.3
195.13768	2.2
197.13174	1.2
237.14647	0.9
247.20596	1.7
257.19138	1.2
265.21567	1.5
275.20111	12.2
275.23001	0.6
276.20197	0.7
293.21115	100.0
294.21545	4.1
307.07974	1.1
308.08496	1.7
336.08224	2.5
340.69318	0.7
349.24142	0.9
367.09900	4.2
367.24872	27.1
368.25049	1.2
388.08084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17934	0.8
51.22002	0.9
53.00305	1.0
53.03946	2.8
55.01868	9.3
55.05507	27.6
55.95705	0.8
57.03432	13.8
57.07060	2.6
57.33315	0.8
59.04998	0.9
59.41952	0.8
61.02913	7.2
65.03946	1.4
67.05499	39.8
69.03425	6.6
69.07061	30.2
71.04984	2.6
71.08624	26.4
73.02908	2.7
79.05487	27.4
79.05953	1.4
81.03414	4.6
81.07050	36.5
82.07382	1.1
83.04977	6.5
83.08627	9.7
85.02895	5.7
85.06526	2.8
90.94762	0.9
91.03951	5.5
91.05470	22.8
91.06010	1.7
93.07034	23.5
95.04959	10.8
95.08598	22.5
97.02908	5.2
97.06528	6.4
97.10144	7.9
99.04489	1.2
99.08085	17.6
105.07019	20.5
107.04940	8.4
107.08587	20.3
109.06518	5.6
109.10140	15.6
110.02273	1.0
111.04427	1.7
111.08089	3.7
117.06993	5.6
118.95453	0.8
119.08566	10.0
121.06501	7.1
121.10121	7.3
123.08097	4.6
123.11703	4.4
125.09629	7.4
127.03896	1.3
128.06203	1.0
129.05482	1.1
129.06967	2.2
130.99977	1.2
131.08553	7.8
133.06454	1.2
133.10114	21.2
135.08049	4.9
135.11678	5.5
137.09599	5.5
137.13290	1.4
139.11186	2.1
140.98453	1.0
141.09119	1.0
143.08543	2.0
145.10123	5.6
147.11703	4.0
149.09593	4.6
149.13277	3.4
151.11160	10.1
153.12752	1.0
155.08467	1.2
157.10123	2.6
159.11684	4.5
161.09613	1.9
161.13243	2.4
163.11186	4.9
164.11905	1.2
165.12784	2.2
166.98331	1.1
167.10767	2.7
169.12326	1.3
171.11723	0.9
173.11827	1.5
173.13243	2.5
177.12723	5.4
179.10677	1.5
183.11729	2.3
187.11180	1.0
189.11206	2.7
189.16446	1.0
191.14322	1.4
195.13799	1.8
227.12654	1.0
229.19733	1.3
237.14891	1.0
239.17992	1.2
247.20604	3.6
252.57555	1.0
253.14311	2.2
257.18988	2.8
265.21674	2.8
275.20059	18.5
293.21085	100.0
294.21506	4.6
346.06216	0.9
349.23706	3.3
367.24823	45.4
368.25186	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	2.3
55.01821	6.3
55.05463	20.1
55.05747	1.3
57.03432	9.4
57.07026	2.4
57.07289	0.7
61.02925	3.9
67.05501	25.3
67.05838	1.1
69.03426	4.1
69.07066	27.3
69.07413	1.5
71.04935	2.1
71.08627	26.4
71.08991	1.2
73.02895	1.2
79.05489	20.7
81.03353	2.4
81.07055	26.1
83.04982	5.3
83.08614	6.7
85.02853	3.2
85.06489	1.5
91.03899	2.6
91.05480	15.4
93.07040	17.4
95.04972	8.9
95.08062	0.8
95.08599	12.8
97.02820	3.0
97.06539	4.1
97.07021	0.8
97.10168	6.8
99.04424	1.2
99.08089	18.3
105.06384	0.8
105.07023	13.1
107.04951	4.4
107.08588	12.8
109.06519	3.8
109.10152	10.6
111.04414	1.2
111.08031	2.7
111.11680	1.1
117.07004	4.0
119.08584	6.6
121.06505	4.5
121.10139	6.7
123.08025	1.9
123.11645	2.7
125.09642	5.4
127.07501	1.0
129.06996	1.3
130.07683	0.8
131.08592	4.6
133.10135	10.5
135.08008	2.9
135.11629	3.3
137.09561	2.6
139.11143	2.4
143.08467	2.6
145.06483	0.8
145.10117	4.9
147.07991	1.0
147.11691	3.5
149.09570	3.8
149.13168	3.0
151.11168	5.4
152.46617	0.7
157.10106	1.3
159.08020	1.0
159.11638	3.1
161.09566	1.3
161.13246	1.2
163.11116	2.5
165.12737	1.7
167.10655	3.4
171.11638	1.4
173.13235	0.9
175.11104	1.3
176.96840	0.8
177.12796	4.9
178.98534	0.9
183.11748	0.9
189.11183	2.5
191.14153	1.0
195.13710	0.9
201.12656	0.9
207.13855	0.9
227.12769	0.9
229.19449	0.8
229.60002	0.8
237.14787	1.1
239.17731	0.9
247.20509	2.4
257.18927	2.0
265.21698	1.2
275.20065	17.4
281.17584	0.8
293.21100	100.0
294.21439	5.3
349.23596	2.2
367.24817	38.6
368.25024	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
54.81208	1.8
55.01868	19.4
55.05511	40.0
56.21220	1.7
57.02605	1.7
57.03442	25.0
57.07058	7.6
57.41266	1.7
63.42593	1.7
65.03931	4.8
67.05502	100.0
69.03426	8.3
69.07070	25.8
69.74501	7.3
69.74918	5.9
71.04973	7.1
71.08623	10.8
71.48750	2.2
79.05494	52.5
81.03402	13.5
81.07056	88.7
83.04990	14.7
83.08614	17.8
85.02856	2.6
85.06552	10.8
85.50024	2.1
91.05478	74.0
93.07040	46.7
95.04967	23.3
95.08604	40.5
96.05270	2.0
97.02884	4.4
97.06525	7.9
97.10155	6.0
99.04462	1.8
99.08068	7.3
105.07030	59.6
107.04946	15.5
107.07883	2.6
107.08596	45.9
109.06499	12.3
109.10156	50.6
111.08083	5.0
113.09635	4.5
117.07006	7.7
119.08566	17.9
121.06493	7.2
121.10131	16.1
123.08085	13.2
123.11695	12.3
125.09632	11.3
125.36109	1.8
127.07503	2.5
128.06252	2.5
129.07007	2.1
131.08568	15.4
133.06503	3.1
133.09111	4.2
133.10124	84.3
134.10448	2.8
135.08017	5.3
135.11678	12.7
137.09616	14.3
141.09023	2.2
143.08574	3.0
145.06516	2.1
145.10123	12.1
147.08057	3.5
147.11681	7.2
149.09608	8.0
149.13226	2.8
151.11168	46.8
153.12674	2.8
155.08453	2.1
157.10129	3.1
159.11678	8.6
161.09593	6.4
161.13327	3.5
163.11215	15.0
163.14877	2.0
165.09097	4.8
165.12752	4.2
169.12202	7.7
171.11652	2.7
173.13228	6.3
175.03918	2.7
177.12738	9.2
179.10603	2.8
183.10176	2.2
187.11197	3.8
187.14825	2.5
191.14313	2.6
195.13841	2.3
207.13831	3.2
209.11659	3.0
215.12756	2.4
229.19475	2.2
247.20563	6.3
253.14307	4.8
257.18976	3.4
275.20071	31.3
293.21017	12.1
349.23691	3.8
367.24915	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.6
53.16603	1.3
54.11447	1.6
55.01866	19.4
55.05508	41.6
57.03176	2.1
57.03437	24.3
57.07082	8.0
65.03950	6.7
67.05503	100.0
68.05830	2.5
69.03410	6.1
69.07069	24.8
71.05000	7.5
71.08633	11.7
71.64420	2.6
79.05489	56.7
81.03416	16.9
81.07053	92.1
83.04993	17.3
83.08625	17.0
85.02888	2.1
85.06538	12.6
91.05479	76.7
93.07039	57.4
95.04963	26.2
95.08604	48.6
97.02879	3.8
97.06526	11.0
97.10168	6.5
99.04398	2.0
99.08076	10.1
105.07024	65.5
107.04954	16.4
107.08593	45.7
108.08954	1.6
109.06514	13.3
109.10152	54.5
111.04441	4.4
111.08092	6.8
113.05973	2.8
113.09666	1.5
115.05444	3.1
115.60207	1.6
117.07019	12.3
119.04939	1.7
119.08568	25.4
121.06539	8.0
121.10130	17.4
123.04482	1.6
123.08079	12.2
123.11708	13.5
125.09638	15.4
127.07540	1.7
128.06238	2.2
129.07016	3.4
130.07809	1.4
131.08553	18.4
133.06474	2.8
133.10124	84.4
135.08080	7.4
135.11690	14.2
137.09615	15.0
141.09119	1.9
142.31299	1.3
143.08568	6.1
145.06424	1.9
145.10114	14.4
146.88004	1.4
147.08044	3.2
147.11697	11.6
149.09639	11.3
149.13271	4.1
151.11171	48.1
154.07780	1.8
155.08540	2.6
157.10112	3.9
159.08028	1.9
159.11703	8.8
161.09636	4.3
161.13237	3.4
163.11147	11.8
163.14827	1.7
165.09090	5.0
165.12759	4.4
169.10159	3.0
169.12262	5.1
170.10709	1.7
171.11690	2.0
173.09566	3.2
173.13235	4.1
175.03905	2.3
175.11148	2.4
177.12746	6.2
178.07808	1.5
179.10692	3.1
179.14297	1.4
181.12206	2.3
183.11685	2.4
187.14803	2.5
191.14270	2.4
193.10124	1.5
193.12289	2.1
195.11769	1.7
195.13812	2.6
197.13324	1.8
209.11702	2.1
229.19554	2.7
247.20581	5.1
253.14371	6.0
257.19009	4.9
275.20065	31.0
293.21075	12.8
331.55804	1.5
349.23837	4.2
367.12204	2.0
367.25070	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	367.2476
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03925	2.0
55.01871	6.8
55.05511	18.6
57.03443	6.9
57.07063	1.1
61.02887	2.4
63.32334	0.7
65.03915	1.1
67.05504	20.6
68.50491	0.7
69.03402	3.3
69.07066	25.1
70.07369	0.9
70.74525	2.1
70.74882	1.0
71.04967	2.2
71.08625	25.1
71.88268	0.7
79.05070	0.9
79.05490	16.8
81.03385	2.2
81.07051	25.2
83.04981	4.2
83.08194	0.7
83.08610	6.6
85.02872	3.3
85.06532	0.9
91.03947	1.8
91.05475	9.9
93.07040	15.4
95.04972	5.1
95.08059	0.9
95.08602	11.8
97.02869	2.0
97.06525	4.8
97.10179	5.5
98.20757	0.8
99.08092	19.6
105.06380	0.8
105.07024	10.1
107.04946	3.5
107.08589	10.3
108.05698	0.7
109.06474	2.6
109.10143	7.2
111.04411	0.9
111.08073	1.6
113.15124	0.7
115.98377	0.7
117.07001	3.5
119.08563	6.5
121.06507	4.6
121.10130	4.9
123.08008	2.6
123.11688	2.4
125.09615	5.0
129.06973	0.7
131.08557	4.5
133.10144	7.7
135.08043	2.1
135.11652	3.8
137.09581	1.9
139.11143	2.3
142.07823	0.7
143.08522	1.2
145.10100	3.1
147.11713	3.8
149.09589	3.1
149.13217	3.1
151.11156	3.8
157.10133	1.1
159.11665	2.9
161.13242	1.0
163.11174	2.3
164.11969	1.0
165.09039	1.0
165.12730	1.7
167.10664	3.3
167.14142	0.8
173.11768	1.2
173.13277	2.1
175.11110	1.1
177.12772	4.0
183.11679	1.1
187.14810	1.1
189.11224	2.8
193.42964	0.7
195.13768	0.9
197.13300	0.8
227.12653	0.7
229.19449	1.2
237.14928	0.8
239.18028	0.8
247.20555	2.3
257.18936	1.4
265.21600	1.9
275.20062	17.4
276.43173	1.0
293.21094	100.0
294.21417	5.1
337.15228	0.7
349.23761	2.6
367.24786	42.6
368.25070	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01868	14.5
55.05253	3.2
55.05505	34.9
57.03184	1.6
57.03437	19.5
57.07053	4.5
65.03936	4.0
67.05501	68.6
69.03421	7.8
69.06720	2.5
69.07068	35.3
70.87744	4.5
71.04991	5.0
79.05488	56.9
81.03397	5.2
81.07052	100.0
83.04981	11.0
83.08611	15.1
85.02883	3.8
85.06538	2.9
91.05474	44.6
93.07040	47.5
95.04989	16.0
95.08597	45.2
96.59807	1.6
97.06531	23.3
97.10150	7.4
99.08096	3.6
103.05408	3.1
103.96497	1.9
105.07025	47.2
107.04967	10.1
107.06064	2.2
107.07869	2.1
107.08591	37.1
109.06525	15.3
109.07618	9.9
109.10153	23.6
111.08053	6.1
115.05446	2.3
117.07040	15.7
118.71102	1.7
119.08577	31.6
121.06478	7.1
121.10131	19.4
123.08088	9.5
123.11711	13.0
125.09609	10.1
127.77748	1.8
129.06963	5.5
131.08537	18.4
133.10129	24.0
135.08028	6.3
135.11667	12.9
137.09625	3.8
141.06935	1.9
143.08534	5.5
145.06494	1.9
145.10097	19.6
147.11678	22.4
149.09602	17.2
149.13248	8.0
151.11137	4.1
153.09108	1.7
157.10132	6.0
159.11694	15.2
161.13284	4.2
163.11150	9.0
165.12732	4.4
167.10728	1.8
169.10153	3.4
171.10181	6.5
171.11662	4.1
173.09698	2.2
173.13242	6.0
175.11157	2.8
177.12730	5.8
179.14275	2.4
183.11653	3.2
185.13239	2.4
187.11267	3.0
189.11192	6.1
195.13878	3.1
207.13823	1.9
208.23303	1.8
215.17816	1.8
229.19527	4.6
239.17979	3.5
247.20534	7.6
251.19984	2.9
253.17921	2.4
257.18921	10.9
265.21674	2.8
269.17496	4.6
275.20047	62.4
293.21213	8.7
337.05518	2.5
349.15317	1.9
349.23911	18.7
367.10049	5.6
367.16382	2.5
367.25058	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01876	16.0
55.05508	27.6
55.43301	1.7
56.49770	2.2
57.03440	17.5
57.07062	2.0
63.53255	2.3
65.03931	2.3
67.05503	63.0
69.03416	5.3
69.07072	27.9
70.89443	1.9
71.04970	5.1
71.07383	2.7
71.07731	4.2
71.08617	2.2
79.05489	48.4
81.03396	4.7
81.07056	100.0
82.07375	2.1
83.04968	7.3
83.08601	11.0
85.06533	5.8
91.04916	2.4
91.05479	41.6
93.07039	39.1
95.04459	1.9
95.04958	11.5
95.08609	35.5
97.06538	19.9
97.10138	7.0
99.08094	6.4
103.05446	2.2
105.04478	2.4
105.07025	44.6
106.07327	2.3
107.04929	11.3
107.08598	30.8
109.06509	14.3
109.10149	19.9
111.08066	6.2
113.05992	1.9
115.05452	2.1
117.07029	16.3
119.08573	35.6
120.08868	2.0
121.06534	6.7
121.10136	17.5
123.08063	7.3
123.11687	8.0
125.09621	6.3
129.06966	6.6
131.08575	19.6
133.10114	25.6
135.08054	6.8
135.11702	10.5
137.09628	6.3
143.08571	4.3
145.10118	20.0
147.07961	2.1
147.11679	21.3
149.09631	15.1
149.13263	8.1
151.11185	4.7
155.08585	2.0
157.10152	4.3
159.11717	13.2
161.13251	3.6
163.11205	6.3
165.09129	2.2
165.12737	5.5
171.10234	3.4
171.11658	3.5
173.13249	5.8
175.11137	2.4
177.12695	4.2
179.14294	2.4
183.11691	5.8
184.12018	8.1
187.11174	2.1
189.11256	6.7
195.13724	2.6
212.11662	2.8
227.12910	2.3
229.19458	4.5
230.12544	4.0
239.17902	5.6
247.20557	6.7
251.20200	2.0
257.19003	8.1
265.21680	2.4
269.17566	5.2
275.20062	73.3
276.20422	4.7
293.21078	7.9
349.23700	19.2
367.24857	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.6
55.01865	3.5
55.05507	15.4
55.29775	0.6
56.18707	0.7
57.03428	6.2
57.07025	1.9
59.04956	1.0
65.03893	0.9
67.05498	15.7
69.03425	3.6
69.07063	15.9
69.40636	7.4
71.04964	1.6
71.08627	37.9
72.04517	7.9
79.05487	13.1
79.78705	0.8
80.61895	0.6
81.03368	2.2
81.07054	16.0
83.04929	3.1
83.08616	4.4
85.06486	2.1
86.15318	0.7
91.05476	6.9
93.07036	10.9
95.04946	4.4
95.08595	7.8
97.02840	1.6
97.06531	3.2
97.10168	7.8
99.04420	1.4
99.08087	27.2
105.07034	6.3
107.04929	4.1
107.08598	8.0
109.06481	1.8
109.10173	4.9
109.10777	1.3
111.04409	1.6
111.08052	1.1
113.05965	0.9
115.79396	0.7
117.06973	2.3
119.08550	2.6
121.06484	5.5
121.10149	5.2
123.04382	3.2
123.08001	2.0
123.11675	1.7
125.09621	5.9
129.06992	1.0
131.08557	3.8
133.10112	4.6
135.08025	2.4
135.11636	1.7
139.11124	2.1
141.06989	0.8
142.14319	0.7
143.08495	1.3
145.10072	1.8
147.11620	1.1
149.09595	4.6
149.13216	3.1
151.11105	2.5
152.38589	0.7
153.09009	1.2
157.10138	0.8
159.11642	2.2
161.13216	0.8
163.11124	1.0
165.12717	1.5
167.10629	5.5
171.11626	0.9
173.13234	0.8
177.12778	4.0
179.10593	0.9
182.78784	0.7
183.13757	2.4
184.16962	6.5
185.13298	0.9
189.11218	5.5
195.13753	1.2
201.14856	0.8
202.18027	8.1
207.54515	0.7
247.20615	1.7
253.14381	1.2
265.21643	1.0
275.20050	13.1
276.20233	0.9
280.19135	3.7
293.21097	100.0
294.21414	3.9
349.23660	1.0
367.09131	1.1
367.24829	36.5
368.25211	2.6
375.97070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
53.36388	0.7
55.01868	5.9
55.05499	2.3
57.03438	6.3
57.07054	3.3
58.06581	3.4
60.04517	0.9
61.01137	3.0
61.02924	7.6
65.03912	1.1
67.05490	2.3
68.99779	2.9
69.03428	43.0
69.07047	1.5
70.06596	5.8
71.01353	0.8
71.04988	4.1
71.62389	1.5
72.08144	0.9
73.02923	5.1
74.06099	1.0
79.05473	2.5
81.03415	20.8
81.07021	1.6
83.04980	1.5
83.08585	0.9
84.04491	0.8
84.08137	2.8
85.02904	100.0
86.09705	4.8
87.00827	51.7
87.04461	1.8
87.05588	1.0
88.03963	1.2
89.00594	3.2
91.03969	1.0
91.05479	4.2
93.07028	2.9
95.04962	2.7
95.08607	1.0
97.02889	29.7
97.03519	1.4
97.06533	2.1
99.04452	9.5
103.03930	0.9
103.05447	1.2
105.01863	67.6
105.07044	4.3
107.04937	2.1
107.08566	1.5
109.02875	22.1
111.04440	1.0
115.03919	1.7
115.05433	1.3
117.07005	2.2
119.08575	3.5
119.10664	2.6
120.08085	2.8
121.06454	1.6
121.08453	2.0
121.10093	1.1
123.04414	2.1
123.08007	1.0
127.03915	59.4
128.06213	1.4
129.01859	3.6
129.06987	1.8
129.10216	1.9
131.04947	1.1
131.08559	2.7
133.06473	1.2
133.10077	0.9
137.05980	2.2
143.08578	2.3
145.04961	17.0
145.06232	0.9
145.06551	0.8
145.10094	2.2
147.02850	1.9
147.04346	1.4
147.08054	1.4
147.11636	0.9
149.05937	1.0
153.05449	1.6
157.10115	2.5
159.02882	5.5
159.11668	1.5
161.06042	1.2
161.09567	0.9
161.13290	0.8
163.03868	1.4
163.07484	1.0
167.06993	1.3
171.02911	1.5
171.11682	2.6
173.05849	0.8
173.09560	2.0
173.13107	1.2
175.03940	1.2
181.04935	0.9
181.10033	1.9
183.11621	1.1
187.07576	0.9
187.11121	1.6
189.03882	3.7
189.12732	1.1
192.82973	0.8
199.11165	2.7
201.09158	0.8
201.12456	4.2
207.11359	1.4
208.11635	3.3
210.52278	0.8
213.03873	2.9
215.10672	1.7
217.08577	1.0
217.12206	1.3
227.10709	1.6
231.04974	11.2
236.10771	1.2
245.11714	2.4
249.06131	1.9
280.06137	1.5
281.08365	0.7
293.06763	1.7
308.05521	1.3
309.06390	1.1
321.11383	1.6
321.70084	1.7
333.11145	1.3
349.14377	2.4
367.11758	2.9
367.15872	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	367.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31013	2.7
55.05504	8.1
67.05504	41.5
69.07058	3.8
73.17290	2.7
76.80729	2.7
79.05488	27.3
81.07053	30.2
91.05483	40.4
93.07034	31.6
95.04966	9.0
95.08599	19.0
97.06522	10.7
98.21537	4.9
105.07030	63.1
106.27184	2.7
107.04929	4.5
107.08599	23.9
109.06536	3.8
109.10177	5.4
110.31109	2.7
115.05432	4.4
117.07029	29.2
119.08580	43.4
121.06525	11.6
121.10118	6.6
123.08057	5.8
128.06245	10.6
129.06998	23.0
131.08569	56.8
133.06505	6.1
133.10123	12.6
135.08038	6.6
141.06966	16.0
142.07802	11.8
143.08525	21.5
144.09340	6.5
145.06461	4.4
145.10112	55.7
147.08049	13.2
149.09575	4.7
149.17493	2.9
153.06969	7.2
154.07748	7.6
155.08540	47.2
156.09317	10.7
156.58888	3.2
157.10136	26.5
159.08049	11.1
159.11694	47.3
161.09593	4.7
167.08543	13.0
168.09315	5.6
169.10129	31.0
171.11674	18.4
173.09595	12.5
173.13278	6.4
175.11060	3.2
182.10982	16.9
185.13257	7.4
187.11220	8.3
187.14803	47.7
197.13242	69.1
197.14995	4.6
215.14313	100.0
229.15852	6.5
229.46106	3.3
245.39883	2.8
247.16931	30.5
275.16446	68.0
307.19037	9.5
311.36035	3.0
343.98819	2.8
369.90695	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	367.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01862	3.5
55.05506	3.3
56.96567	2.0
69.03424	3.3
70.06601	8.5
71.44931	3.5
73.02913	2.1
78.04697	3.9
78.09100	1.7
78.71425	1.5
79.05489	5.9
81.03410	2.9
81.07047	1.6
85.02900	7.9
88.46160	1.8
89.03915	1.8
91.05480	6.2
94.04165	1.7
95.01318	5.2
95.04993	2.7
96.10380	1.7
97.02895	2.2
98.97601	2.2
99.04475	2.5
103.05471	5.5
104.06219	2.9
105.07033	11.5
107.04934	3.3
109.02879	2.4
111.04412	3.1
113.02315	1.7
115.05445	7.0
117.07027	5.6
118.04154	1.8
119.04937	4.8
119.08572	2.4
119.41484	1.7
120.08093	6.2
121.02835	1.9
123.04418	11.7
124.05235	3.2
127.03867	2.5
127.08689	3.3
128.06215	2.0
129.06981	2.3
131.04907	10.9
132.04590	2.7
132.05701	12.4
132.42917	1.7
133.02927	1.6
133.06503	12.0
135.04440	2.2
137.06058	2.7
139.03896	4.2
141.06993	5.2
143.04964	2.4
143.08476	2.0
144.05673	3.8
145.06454	9.1
146.03625	2.3
147.04388	8.5
151.03883	4.1
152.04663	3.3
153.05470	2.2
154.06313	3.0
155.04805	3.7
155.06007	2.3
155.08194	2.5
157.06471	6.5
159.04398	2.9
159.08118	3.0
160.05200	8.9
161.05972	18.1
163.03940	2.7
167.07028	100.0
168.07320	2.9
169.06496	4.2
171.04401	2.8
171.07996	2.7
172.05154	3.9
173.05991	7.3
175.03938	11.0
175.07468	2.3
177.05473	6.5
178.04968	12.1
178.06331	2.2
181.04961	4.5
181.06432	2.8
185.06035	2.6
187.03986	2.8
187.07521	13.1
188.04704	6.7
189.05496	6.5
190.06261	3.3
191.07021	3.3
192.07808	52.1
193.08549	5.8
197.05901	3.8
200.04756	3.5
201.05457	5.1
203.05327	4.1
203.07036	3.4
204.07440	1.7
205.08630	6.7
206.04474	18.4
207.06590	3.6
213.05661	2.1
214.06142	2.4
215.06938	8.0
216.04170	6.7
216.07826	3.1
217.04994	4.2
217.08452	2.9
219.06516	8.9
221.08151	5.7
229.04979	3.7
229.08650	7.2
230.05568	2.4
231.06538	43.7
231.10133	2.4
232.07108	2.1
233.08139	9.4
234.12563	2.4
243.06508	3.6
245.04526	2.4
245.08130	4.7
247.09610	2.8
249.07578	4.8
257.08212	2.2
259.06195	3.6
259.09790	3.5
261.07687	4.6
275.09152	10.0
287.09277	3.5
289.07123	5.3
293.10172	6.0
305.10233	5.0
349.09164	3.7
367.10272	64.5
367.14740	2.4
367.19568	3.1
368.10510	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	366.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60939	1.2
55.01863	2.6
55.05506	11.1
57.03414	4.5
58.06589	1.5
60.04522	1.7
67.05510	10.9
67.26163	1.5
69.03424	3.2
69.07064	15.6
69.52634	2.8
69.53040	12.2
70.07413	1.8
71.04983	2.3
75.02712	1.5
79.05486	13.2
80.05010	2.2
80.05815	1.8
80.60201	1.4
81.03405	2.9
81.07050	11.1
82.07401	2.8
83.08611	2.3
91.05468	13.2
93.07034	9.3
94.07355	2.6
95.04949	4.6
95.08594	5.9
97.02859	3.6
97.10164	4.4
98.20763	3.1
103.05437	3.7
105.07021	13.1
106.07330	2.8
107.04920	3.0
107.08606	7.5
109.10136	3.2
115.05439	4.2
117.06996	7.9
119.08575	5.3
120.08897	2.2
121.10119	3.6
125.09590	3.9
126.09923	2.1
128.06201	12.9
129.06992	13.0
131.08585	10.0
132.08884	1.9
133.10114	4.2
135.08073	2.1
140.21924	1.4
141.06984	11.6
142.07785	8.6
143.08548	24.3
145.06474	3.2
145.10100	6.4
147.11671	2.2
148.08310	1.6
149.06003	1.7
149.09685	1.5
150.09914	1.7
153.06989	12.6
154.07677	1.4
155.08539	24.9
157.10101	11.0
159.08018	2.8
159.11746	1.9
165.09161	1.7
167.08508	3.8
168.09335	45.0
169.10051	5.4
173.05998	5.5
173.13245	4.9
175.07564	1.6
177.58586	1.4
181.10107	2.3
183.11684	100.0
184.12062	3.8
185.13274	6.5
187.07512	11.8
187.11113	1.7
193.10095	3.5
201.12668	9.8
206.61586	1.5
211.11151	18.1
223.13344	2.2
224.13585	2.5
229.10062	2.8
229.12228	37.2
230.12546	1.7
247.13216	3.6
274.18793	5.5
291.19571	4.2
292.19803	19.5
306.24216	2.3
366.23175	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	367.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.3
70.10382	0.9
87.23943	0.2
98.97546	0.2
101.00864	0.6
116.98638	0.5
119.01918	7.3
120.02053	0.2
122.97852	0.3
125.86639	0.2
134.99750	0.8
137.02951	3.7
140.98845	0.3
142.03502	0.3
148.81290	0.2
153.00902	0.5
158.99867	0.7
165.99680	0.3
177.00946	19.0
178.01077	0.8
179.00639	0.2
182.99907	0.4
193.04100	0.2
195.01933	0.5
200.02516	0.5
201.00951	0.9
217.04079	2.5
219.01997	23.0
220.02122	1.3
221.02017	0.2
225.00879	2.5
234.99945	0.4
236.00102	0.5
236.99786	0.5
242.03590	0.9
243.01950	5.3
243.04221	0.4
244.02054	0.3
259.00034	0.7
260.00079	0.9
260.04559	0.4
261.03052	100.0
262.00259	0.2
262.03177	4.1
263.03436	0.6
266.03778	0.4
277.00995	1.2
278.01111	1.7
279.00870	0.8
280.01099	0.4
283.00009	0.9
284.00150	1.8
284.04620	5.9
284.99896	0.3
285.04816	0.4
301.00974	2.4
302.01160	5.0
303.00861	1.5
313.05658	0.2
320.02194	0.3
325.01877	0.3
326.01505	0.4
343.02115	1.1
344.02240	2.3
345.01749	0.3
362.03226	0.7
367.02124	0.8
385.03162	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	367.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19825	1.6
54.57146	1.6
55.01853	5.6
55.05478	2.7
56.05021	2.4
57.03421	5.1
58.06588	4.1
67.05465	2.1
69.03414	6.4
69.07058	2.2
70.06579	13.3
70.98521	2.0
71.64739	2.7
72.08134	7.1
79.05486	2.0
81.03410	3.6
81.07032	2.6
84.04496	2.0
84.08124	7.3
85.02875	6.8
86.09669	3.7
87.04442	2.6
91.05463	6.4
93.07053	2.3
95.01326	36.2
95.04961	3.7
97.02874	6.3
97.06470	2.1
98.97520	2.0
99.04459	2.0
100.02187	3.4
103.05459	6.0
105.07014	14.8
107.04924	3.0
109.06474	2.1
111.04405	3.2
113.02366	13.3
115.05444	7.0
117.06995	7.8
118.04142	2.8
118.23476	2.0
119.08569	3.9
120.08090	3.0
121.06525	1.8
123.04412	3.5
125.45816	1.9
127.03918	2.0
128.06204	7.6
129.07018	2.9
129.10225	3.7
130.07787	1.6
131.04919	10.7
131.08607	3.0
132.05740	2.1
133.02771	1.7
133.06494	11.6
135.04390	4.5
136.06169	7.7
137.06001	4.0
141.06966	4.3
143.08498	3.3
144.05682	2.9
145.02873	2.4
145.05063	1.8
145.06438	10.1
147.04390	6.7
148.05136	2.9
149.05960	2.7
152.06140	2.2
153.06978	8.7
157.06459	8.3
159.04433	4.5
159.08058	2.4
161.05978	14.9
163.03903	5.0
165.05435	5.4
165.06815	2.0
167.07025	23.9
169.06479	4.6
171.08034	10.6
172.05235	2.2
173.05966	7.8
174.06641	2.2
175.03893	5.0
175.07535	5.2
176.04662	8.2
177.05438	8.1
178.06201	3.4
181.06445	4.7
184.05183	5.1
185.05959	4.8
187.03938	2.8
187.07520	4.9
189.05341	2.3
191.07027	12.7
192.07797	3.6
193.08562	20.5
194.05688	4.7
198.06659	1.9
199.07507	18.9
201.05455	6.7
203.04984	1.9
203.06813	2.5
205.04774	2.2
205.08615	7.8
207.06464	2.8
209.08015	12.1
212.04742	3.1
213.05431	4.8
215.07001	3.5
217.04903	2.0
217.08551	2.4
219.06503	6.3
221.08122	3.5
223.06024	2.9
226.06190	2.1
227.06999	15.7
228.04173	2.1
231.06630	2.7
231.10208	5.3
233.08015	8.8
235.09758	2.2
244.07382	4.0
245.04332	3.0
245.08101	4.4
247.09647	2.0
249.07567	3.1
259.09576	7.5
261.07547	7.3
267.08810	2.1
277.10760	2.0
287.09012	2.7
305.10117	13.1
323.11240	100.0
324.11713	3.2
339.10651	3.0
367.10306	4.9
367.17072	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	366.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65999	1.4
55.05499	3.5
57.03439	1.7
67.05499	8.3
69.07047	2.4
70.24620	7.1
76.80406	1.3
79.05495	8.7
81.07050	11.6
83.04976	1.7
89.72101	1.6
91.05487	7.7
92.05826	2.0
93.07047	4.9
95.04962	2.0
95.08599	2.8
103.05473	2.2
105.07005	9.5
107.04978	2.8
107.08592	5.6
108.08897	1.8
109.10175	2.8
111.08002	1.4
115.05457	2.8
117.07008	4.2
119.08566	3.3
121.06493	1.7
128.06206	10.7
129.06998	12.1
131.08559	6.9
133.10155	3.3
141.07002	10.1
142.07787	10.5
143.08545	20.6
145.06516	1.5
145.10138	5.1
149.09576	1.6
151.11226	2.1
153.06979	12.6
154.07787	2.6
155.08537	30.0
157.10097	7.7
159.08078	2.0
159.11626	2.4
166.07788	2.6
167.08611	4.7
168.09343	53.9
169.09985	5.4
173.06013	3.9
173.13274	3.2
178.07808	1.5
183.11687	100.0
184.12144	4.5
184.83353	1.3
185.13182	6.9
187.07558	9.4
193.10101	2.9
201.12692	12.9
211.11127	10.7
229.12215	28.5
243.75713	1.6
274.18863	2.5
275.20139	2.1
292.20114	2.0
336.05154	2.1
349.23340	1.6
366.09760	3.6
366.23450	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	366.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01859	3.3
55.05496	11.1
56.05029	8.3
58.06602	33.3
60.04529	18.6
65.03934	4.2
67.05492	13.8
68.05013	12.2
69.03420	9.3
69.07054	6.8
70.06590	11.2
71.04995	7.8
71.62706	7.2
79.05505	24.7
80.05021	9.4
81.03410	4.3
81.07052	25.3
82.06594	7.0
83.04964	7.3
84.04507	55.3
85.06535	4.3
86.06054	13.7
91.05476	44.3
93.07047	25.9
94.02930	6.5
94.06568	17.0
94.07074	3.0
95.04948	16.5
95.08595	12.9
96.04484	26.0
96.08115	9.2
97.06528	8.8
102.05542	3.4
103.05495	5.8
105.07034	69.4
106.06564	7.2
107.04942	4.2
107.08587	28.2
108.04488	5.6
108.08107	15.9
109.02903	4.7
109.06525	7.6
109.10155	5.0
110.06033	10.3
112.03941	8.5
112.07614	3.7
114.05527	13.9
115.05444	10.8
117.07018	31.1
117.07796	5.2
118.06532	4.9
119.08589	36.4
120.08087	6.7
121.06499	9.4
121.10149	6.0
122.06030	11.8
123.04377	4.6
123.08088	5.2
124.03932	13.7
124.07603	7.1
126.05461	3.6
128.06221	13.7
129.06979	18.0
130.05028	14.2
130.06514	4.6
130.07706	3.7
131.08560	39.0
132.08093	8.0
133.06543	6.6
133.10156	18.6
134.05995	10.1
134.09677	5.5
135.08018	5.8
135.11697	3.7
136.07567	15.4
138.05476	20.6
140.07088	5.2
141.06992	10.6
142.06831	3.9
142.07788	25.3
143.08545	27.2
144.08095	6.7
144.09273	6.8
145.06442	14.2
145.08978	6.0
145.10126	23.9
146.09615	4.7
147.06900	2.8
147.08070	7.5
147.11699	10.7
148.11179	4.2
149.09618	4.6
150.05446	6.9
152.07028	8.6
153.06966	4.8
154.07773	4.9
155.08542	12.5
156.08051	5.0
156.09276	6.6
157.10117	35.0
158.09647	17.1
158.10812	3.4
159.08084	10.1
159.10486	6.0
159.11697	38.6
160.11230	12.9
161.05911	7.0
161.09636	11.7
161.13200	3.5
162.05518	5.9
164.07030	5.6
168.09375	14.1
169.10117	6.0
171.08054	4.3
171.11729	7.6
172.11229	3.6
173.06003	5.4
173.09604	8.9
173.13271	10.9
174.09146	4.6
174.12747	4.8
175.07579	3.5
175.11177	19.3
177.12798	3.1
181.10181	5.7
183.11702	35.1
184.11259	5.5
185.09616	12.6
185.13242	8.6
186.12794	10.0
187.07576	6.6
187.11208	8.2
189.09128	6.0
198.12787	4.8
199.11186	9.4
200.14359	4.6
201.12756	29.9
202.12254	5.5
203.10683	11.6
203.14352	6.9
204.13852	8.8
211.11084	4.2
213.09079	3.4
214.08572	4.0
216.14015	4.7
217.12238	3.8
218.11711	3.4
218.15341	5.3
219.13809	10.1
221.11688	6.6
227.10663	5.2
229.12253	41.2
230.11848	6.2
232.16933	3.8
234.14850	4.4
242.15445	10.2
243.13768	5.7
244.17174	4.4
245.11743	4.0
247.13287	26.3
248.12860	4.6
252.14021	3.2
260.16534	10.1
264.16016	4.2
265.14359	4.2
270.14813	11.2
271.13287	6.1
276.15909	5.3
278.17532	8.6
280.15469	4.0
288.15955	22.0
306.16962	37.9
308.15079	4.7
324.17929	4.3
348.18118	17.3
366.14566	5.6
366.19098	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	365.2683
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03955	0.4
55.01871	0.7
55.05506	2.7
57.03432	0.5
57.07061	1.7
65.03948	0.4
67.05503	3.6
69.03413	0.6
69.07066	4.5
70.24130	1.0
70.24529	0.7
71.08607	0.9
79.05490	3.1
81.07049	4.7
83.04971	0.6
83.08606	1.5
85.06536	1.8
87.33154	0.4
91.05453	2.2
93.07030	3.8
95.04963	1.1
95.08603	3.7
97.06526	1.2
99.08085	0.4
101.90358	0.3
105.07011	3.1
107.08585	3.7
108.39910	0.4
109.03561	0.4
109.06522	1.9
109.10143	1.7
109.65661	0.4
111.04463	1.3
111.08044	0.5
117.07030	0.8
119.08598	2.2
121.06470	0.5
121.10100	1.8
123.08052	5.4
123.11687	0.5
124.08887	0.9
125.05984	0.6
125.09625	0.4
129.07011	0.5
131.08597	1.1
133.10123	1.5
135.08060	1.3
135.11688	1.2
137.05984	1.5
137.09567	0.9
139.07559	0.6
143.08612	1.1
145.10129	1.7
147.08052	0.7
147.11719	1.3
149.09564	0.6
151.07518	3.8
152.08316	2.5
154.43973	0.4
155.08611	0.4
157.10138	1.2
159.11688	1.5
161.09613	0.9
161.13261	0.6
163.11096	0.4
165.09103	14.2
165.12770	0.9
166.09833	0.9
167.08588	0.4
169.10110	0.8
171.11716	0.4
173.13277	0.7
175.11162	1.1
175.14821	0.5
177.09044	1.0
177.12775	0.6
179.10666	2.0
180.09398	0.4
180.11087	0.4
181.12234	0.6
183.11745	0.8
185.13211	0.4
193.12273	0.9
195.11736	0.4
195.13838	0.9
197.13246	0.8
208.14595	1.9
209.13409	0.7
219.13812	0.8
221.13297	0.9
221.15298	3.1
223.14996	0.6
235.14825	0.6
235.17082	0.8
238.12843	0.4
249.18527	1.0
251.17786	0.4
263.17697	0.5
263.20099	1.4
273.18356	0.4
291.19724	0.9
305.24789	4.2
314.54190	0.4
319.26471	4.8
347.25797	48.4
348.26120	2.9
365.26895	100.0
366.27234	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03939	0.7
55.01852	0.4
55.05511	1.6
57.03439	0.3
57.07073	2.8
65.32719	0.3
67.05495	2.6
69.03403	0.4
69.07067	2.5
70.23917	1.2
71.04989	0.3
72.72768	0.2
78.11777	0.3
79.05494	1.8
81.07059	2.6
83.05000	0.5
83.08617	0.9
85.06544	1.5
91.05482	1.8
93.07047	2.5
95.04964	1.3
95.08608	2.4
97.02881	0.3
97.06521	0.3
97.10161	0.5
105.07029	2.8
107.08597	2.5
109.06503	2.0
109.10164	1.4
111.08113	0.3
117.07017	0.7
119.08572	3.0
120.42604	0.2
121.06431	0.3
121.10171	1.0
123.08060	3.2
123.11772	0.4
124.08864	2.1
125.05963	0.4
128.06244	0.4
129.07005	0.5
131.08582	1.2
133.10068	1.4
135.08089	1.0
135.11711	0.4
137.05986	0.7
137.09625	0.5
139.07591	0.5
141.06978	0.5
142.07780	0.7
143.08568	1.1
144.09378	0.3
145.10103	1.7
147.11703	0.8
149.09621	0.6
149.13287	0.3
151.07555	4.2
151.11221	0.6
152.08319	6.9
153.06908	0.3
155.08594	0.5
156.09355	0.4
157.10112	2.4
159.11710	1.3
161.09625	0.7
161.13249	0.7
163.11174	0.4
165.07011	0.5
165.09105	10.2
165.12775	0.3
166.09819	0.9
167.08667	0.4
169.10156	1.2
170.10939	0.5
171.08084	0.3
171.11656	1.6
173.09668	0.4
173.13300	0.4
175.11247	0.6
177.09227	0.4
177.12764	0.4
179.08539	0.4
179.09175	0.4
179.10658	2.7
179.14420	0.3
180.09367	0.3
181.10181	0.6
181.12279	0.5
182.10997	0.5
183.11725	1.0
185.13318	1.2
187.11192	0.6
187.14769	0.3
189.12784	0.3
191.14207	0.3
193.10289	0.3
193.12230	0.4
194.11189	0.6
194.12991	3.4
195.11707	1.2
196.12466	0.4
197.13324	0.9
199.11404	0.4
203.05283	0.3
206.11038	0.5
207.11700	0.8
207.13872	1.2
208.12503	0.5
208.14313	0.3
209.13315	1.2
211.14864	0.6
213.12854	0.4
213.16415	0.3
215.14351	0.3
221.13264	0.8
222.13739	0.2
223.14929	0.7
224.46240	0.3
225.16423	0.4
233.13351	0.5
234.14140	0.3
235.14793	0.6
235.16887	0.4
237.16388	0.5
239.14267	0.3
249.16460	0.7
249.18648	0.8
263.17694	0.5
263.20212	1.9
265.19626	0.4
277.19431	0.4
281.18927	0.4
291.19583	1.3
306.24887	0.4
319.23663	0.6
319.26697	1.0
337.25296	0.6
337.70572	0.3
347.25897	16.7
348.26141	1.3
365.26947	100.0
366.27301	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	365.247
Annotation	Quinestrol
Peak:m/z	Relative Intensity
51.30564	0.9
51.34735	0.8
53.03931	1.1
55.05504	6.7
57.07072	1.6
67.05506	9.8
69.06714	1.3
69.07059	16.1
70.05642	3.8
70.06052	1.9
70.88031	0.8
79.05495	7.1
81.07053	17.7
83.04959	3.6
83.08588	3.6
85.06519	2.6
87.98382	1.0
91.05464	9.4
93.07035	12.5
95.04964	1.7
95.08591	14.9
98.21461	1.8
105.07021	19.8
107.08578	13.9
109.06543	1.5
109.10151	11.5
115.05489	1.3
117.07038	5.3
119.04992	1.0
119.08572	15.8
121.06487	4.1
121.10147	7.4
123.08011	1.0
123.11667	2.3
125.05996	1.3
125.09629	1.1
128.06201	2.3
129.06995	4.7
130.07762	1.4
131.08562	11.9
133.10127	9.6
135.08031	1.6
135.11659	3.9
137.09572	1.4
139.07501	2.6
141.06944	2.7
142.07753	5.6
143.06325	1.1
143.08563	9.8
144.09296	3.0
145.09029	1.2
145.10114	15.2
147.08057	2.3
147.11682	6.5
149.09612	1.0
149.13232	1.4
154.07715	1.5
155.08557	7.2
156.09370	1.8
157.10129	18.9
158.10855	3.1
159.08017	3.9
159.11674	18.4
161.09618	1.8
161.13252	6.2
163.11205	3.1
165.06940	1.3
167.08539	3.9
168.09335	2.4
169.10124	10.3
170.10980	1.5
171.08060	0.8
171.11688	7.6
171.73415	0.9
173.09557	2.6
173.13214	6.5
175.11159	4.5
175.14809	2.9
176.11905	0.9
177.12715	1.8
179.08546	3.6
180.09261	2.9
181.10110	8.2
182.10831	2.4
183.11664	12.4
185.09486	1.1
185.13283	5.3
187.11179	1.7
187.14771	2.5
189.12735	10.3
190.13521	1.2
192.09389	1.5
193.10078	6.9
194.10861	4.1
195.11671	9.7
196.12492	1.5
197.13248	9.3
199.11208	1.4
199.14883	5.0
201.12753	6.6
201.16374	1.3
203.14261	1.8
205.10141	1.6
205.12221	2.0
206.10828	1.8
207.11719	7.5
208.12439	1.8
209.13249	14.7
210.14009	1.5
211.11093	1.5
211.14803	11.7
212.15492	1.4
213.12755	1.1
213.16415	2.6
215.14322	1.5
219.11703	2.6
221.13203	7.5
222.13930	1.2
223.11316	1.0
223.14803	13.5
224.15465	1.8
225.12770	1.1
225.16336	5.3
227.10548	1.0
227.17798	1.5
229.12207	8.3
235.14760	5.9
236.15378	1.3
237.12636	1.2
237.16386	8.9
239.14488	1.1
239.17888	2.1
243.13765	1.4
247.14714	1.4
248.15416	1.0
249.16309	6.4
250.17055	1.3
251.17969	5.5
252.18690	1.5
253.12180	2.5
253.15919	1.6
253.19386	2.6
255.13795	3.3
261.16483	1.4
263.17981	10.9
264.18564	1.1
265.19501	4.8
269.15155	1.3
277.16617	1.1
277.19415	6.7
279.21024	6.7
281.19055	2.0
283.17181	1.5
289.19470	1.3
291.17432	1.7
291.20709	0.9
295.16934	1.9
295.20093	1.0
296.17764	1.2
297.18521	2.5
305.19037	1.1
307.20624	1.6
309.18491	6.2
319.24185	25.3
320.24515	2.4
321.25775	16.8
323.19861	2.3
337.25195	8.2
347.23657	9.7
348.69629	0.9
365.24719	100.0
366.25256	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.6
57.07066	1.9
67.05506	8.5
69.07069	26.1
69.91426	2.4
69.91839	4.3
79.05498	6.0
80.15041	1.2
81.07056	19.7
83.08606	4.2
83.21626	1.2
91.05470	10.9
92.68484	1.1
93.07040	22.9
95.04929	2.2
95.08603	17.9
97.10162	1.3
105.07031	21.6
106.07377	1.4
107.08586	15.2
109.10154	9.6
115.05450	1.4
117.07008	5.0
119.08571	15.5
121.06509	1.3
121.10123	9.3
123.11678	3.0
128.06236	1.9
129.07025	5.5
130.07758	1.6
131.08569	11.3
133.10118	9.4
135.11713	3.7
139.07533	6.1
141.06981	5.4
142.07765	8.4
143.08566	13.3
144.09343	2.6
145.10106	22.7
147.11688	6.3
151.07550	1.3
153.07005	1.7
155.08556	10.3
156.09309	3.7
157.10130	28.6
158.10886	4.8
159.08005	2.1
159.11696	20.1
161.13249	7.0
165.06946	2.8
166.07755	1.3
167.08615	5.5
168.09341	4.9
169.10117	12.5
171.11649	9.8
173.13237	8.2
175.14806	3.1
177.09091	1.3
179.08536	5.2
180.09349	2.7
181.10127	12.5
181.76714	1.3
182.10927	3.5
183.11685	14.5
185.11801	1.2
185.13200	6.7
187.14870	2.1
189.12732	3.3
192.09332	2.1
193.10130	7.5
194.10904	2.8
195.11697	20.0
196.12469	2.9
197.13272	10.1
199.14867	5.4
205.10025	1.7
206.10913	2.2
207.11719	11.7
207.13606	2.3
208.12352	3.4
209.13293	22.1
210.13870	2.5
211.14844	9.5
213.09270	1.3
213.12726	1.5
213.16397	3.4
215.10521	1.5
217.12283	1.6
219.11743	2.4
220.12419	2.2
221.13248	11.3
222.13995	1.9
223.14793	18.9
224.15321	1.6
225.16454	6.8
226.16986	1.1
227.10689	4.7
227.17966	3.5
229.12300	10.5
233.13271	2.0
234.14006	2.4
235.14810	9.1
237.16370	19.0
238.16975	3.3
239.17879	3.9
247.14822	1.6
248.15742	1.2
249.16402	7.9
250.17184	2.6
251.17940	17.4
252.18719	25.5
253.12109	2.6
253.16107	1.4
253.19182	2.0
255.13901	1.3
257.15372	1.5
261.16434	1.6
263.17938	16.8
264.18475	2.6
265.19507	9.9
267.13687	1.3
267.17484	1.2
269.19077	1.4
277.19427	6.8
278.20526	1.2
279.17798	1.4
279.21127	3.3
281.15375	1.8
281.19006	1.9
291.21228	1.3
295.16852	3.4
296.17670	4.1
297.18408	2.9
305.22812	2.0
309.18460	8.0
319.24207	32.9
320.24805	3.0
321.25818	12.0
329.22864	1.4
337.25342	7.3
347.23737	4.7
365.24744	100.0
366.25076	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	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
56.28352	1.0
57.07079	1.5
67.05505	7.0
69.03411	1.0
69.07067	16.6
69.76965	5.6
77.18097	0.8
79.05490	7.9
81.07061	16.0
83.04967	2.0
83.08611	1.5
85.06532	2.3
91.05482	8.8
93.07045	13.4
95.04961	2.1
95.08611	11.6
97.06520	2.6
105.07026	22.0
107.08594	11.8
109.06493	1.3
109.10154	10.0
115.05473	1.2
117.07018	6.1
119.08591	16.2
121.06502	3.5
121.10137	6.8
123.04430	1.0
123.08083	2.4
123.11708	1.9
125.09577	1.0
128.06227	1.4
129.07028	4.4
130.07712	1.6
131.08569	13.1
133.06445	3.0
133.10117	9.6
135.08032	2.7
135.11681	2.4
137.09581	1.9
137.97467	0.8
139.07550	1.1
141.06972	2.4
142.07780	6.2
143.08557	9.6
144.09337	2.8
145.06500	1.1
145.10118	17.1
147.08032	2.9
147.11676	6.8
149.09618	2.4
149.13223	1.6
154.07787	1.8
155.08563	6.1
156.09340	3.3
157.10143	18.8
158.10896	2.4
159.08051	1.8
159.11685	23.3
161.09644	3.1
161.13255	9.1
163.11157	1.9
163.14720	1.1
165.06889	1.1
167.08577	3.1
168.09370	3.0
169.10158	8.6
170.10826	1.1
171.11676	7.7
173.09575	2.8
173.13249	7.2
175.11194	14.9
175.12558	1.4
175.14804	2.6
177.12730	2.9
179.08559	3.5
180.09393	1.4
181.10123	6.7
182.10818	1.7
183.11682	7.3
185.13275	6.9
187.11256	2.0
187.14825	2.4
189.12766	19.4
190.13260	1.1
191.14310	3.1
192.09383	1.4
193.10176	4.1
194.10898	1.9
195.07956	1.0
195.11696	8.5
197.13306	8.6
199.11154	1.1
199.14801	3.3
201.12799	4.9
201.16394	3.7
203.14407	1.5
206.10950	1.3
207.11670	6.2
207.13588	1.7
208.12437	2.5
209.13275	12.5
210.13995	1.1
211.11243	1.5
211.14859	6.4
213.12753	1.8
213.16389	2.2
215.14265	1.9
217.15977	1.2
219.11624	1.5
220.12454	1.3
221.13261	6.7
223.14801	8.0
225.16313	4.8
227.10641	1.8
227.14354	0.9
227.17926	1.4
229.12254	2.7
229.15907	1.0
233.13295	1.7
234.14008	1.5
235.14815	4.7
236.15570	1.1
237.12650	2.6
237.16327	6.2
239.14354	1.6
239.17924	1.9
243.13783	1.9
245.13193	1.1
247.14780	1.3
248.15773	1.3
249.16360	6.4
250.17137	2.1
251.17937	6.0
253.12270	1.3
253.15767	1.4
253.19481	1.4
255.13873	5.2
255.17517	0.9
263.14914	1.2
263.17880	9.2
264.18604	0.9
265.19507	4.5
267.13968	1.2
267.17325	1.5
269.19016	1.4
277.19623	4.5
278.20190	0.9
279.17413	1.7
279.21063	2.6
281.19028	2.0
285.18677	1.9
295.16913	1.6
297.18457	3.3
307.20416	1.3
309.18555	5.2
319.20813	1.0
319.24173	20.5
320.24695	2.0
321.25806	7.4
329.22519	1.1
337.25113	10.9
347.23663	11.2
365.24756	100.0
366.25052	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	365.2475
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.80701	0.9
53.03951	1.7
54.81309	0.8
55.05294	0.8
55.05510	7.9
57.07056	3.1
66.39635	0.8
67.05506	9.7
69.07066	30.6
69.67397	5.3
79.05489	8.2
81.07054	20.2
83.04967	3.6
83.08617	9.2
91.05482	13.1
93.07038	19.8
95.04971	2.2
95.08035	1.5
95.08603	16.9
97.06511	1.2
97.10172	1.4
105.07027	28.3
107.08593	15.4
109.06483	2.0
109.10157	8.1
115.05440	1.2
117.07017	7.1
119.08575	17.3
120.08865	0.9
121.06467	1.4
121.10149	9.9
123.08089	1.5
123.11700	5.4
125.05975	1.9
128.06189	3.5
129.07007	5.3
130.07753	1.7
131.08568	13.4
133.06432	1.4
133.10118	10.8
135.11681	5.2
137.09518	0.8
139.07526	5.7
141.06982	4.4
142.07770	7.2
143.08566	14.0
144.09277	4.0
145.10118	16.9
147.08044	3.0
147.11664	5.2
149.05960	1.7
149.13252	3.1
151.07521	1.5
153.07010	1.6
154.07718	1.0
155.08554	9.0
156.09329	2.8
157.10120	29.9
158.10948	7.7
158.44077	0.9
159.08037	1.9
159.11690	34.9
159.52255	1.0
160.12030	1.1
161.13249	13.7
163.07428	1.3
163.14777	1.5
165.07014	3.0
165.09131	1.1
166.07768	1.1
167.08549	3.4
168.09274	2.7
169.10092	11.5
170.10872	2.0
171.08070	1.3
171.11682	9.8
173.05945	1.3
173.09605	2.2
173.13260	5.5
175.11195	3.8
175.14793	2.3
177.12674	1.4
178.07733	0.9
179.08557	4.3
180.09340	2.8
181.10139	9.4
182.10855	2.5
183.11699	10.6
184.12152	1.2
185.09625	1.0
185.13309	5.3
187.07535	1.4
187.11211	1.2
187.14854	3.0
189.12720	1.2
192.09264	2.4
193.10164	4.7
194.10867	3.7
195.11639	12.0
196.12379	2.6
197.09546	1.2
197.13243	7.5
199.07573	1.7
199.11159	2.1
199.14809	3.3
201.09064	1.4
201.12663	0.9
201.16371	1.0
202.66133	1.0
203.10648	1.3
205.10315	1.3
205.12242	3.6
206.10840	1.8
207.11691	7.0
207.13628	1.2
208.12401	2.7
209.13268	13.7
211.11177	2.0
211.14827	6.1
215.10732	2.1
215.14264	1.1
217.12155	1.4
219.11627	1.7
221.13297	6.6
222.13777	1.3
223.11331	1.8
223.14780	7.1
225.09090	1.2
225.16370	3.5
227.10757	1.8
227.18048	1.7
228.11421	1.1
229.12242	5.0
229.15924	0.9
231.13951	1.4
233.13229	1.6
234.13951	2.2
235.14809	6.8
236.15352	1.2
237.16359	4.6
239.10678	2.1
239.14275	1.2
239.17966	2.6
241.12198	4.3
243.13759	2.7
247.14870	2.1
248.15555	1.6
249.16389	7.6
250.17203	2.1
251.17963	7.1
252.18666	3.9
253.12231	1.4
253.15703	1.1
255.13774	2.3
257.15353	1.4
261.16342	1.7
263.17938	9.4
265.16095	0.9
265.19574	4.0
269.15167	1.7
269.18961	1.1
277.19614	4.3
279.21185	2.2
281.15454	2.1
283.16943	1.6
291.17209	1.2
295.16907	2.3
296.17624	2.9
297.18555	5.7
309.18512	7.2
314.39902	0.9
319.20697	1.9
319.24182	19.6
320.24408	1.3
321.25708	4.7
323.19946	1.8
337.25235	6.7
347.23532	4.7
365.24731	100.0
366.25137	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	365.2476
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03936	1.3
55.05504	5.3
61.16906	0.9
65.03954	1.0
67.05500	10.9
69.03410	1.9
69.07066	10.8
71.63746	1.9
79.05495	9.2
81.07050	21.2
83.04975	1.8
83.08616	3.1
85.06585	1.0
91.05485	9.0
93.07038	16.0
95.04956	3.0
95.08608	13.8
97.02917	1.4
97.06512	3.0
97.10176	1.4
105.07034	21.4
107.08594	14.5
109.06509	2.8
109.10157	10.1
115.05437	1.5
117.07020	6.9
118.77654	0.9
119.04958	1.0
119.08572	19.0
121.06524	2.2
121.10149	10.7
123.08097	1.8
123.11721	2.7
125.09620	1.2
129.07008	5.0
130.07822	1.7
131.08571	13.2
133.10109	10.7
135.08040	2.2
135.11679	3.8
137.09599	1.2
141.06967	2.9
142.07784	5.2
143.08582	9.0
144.09325	1.9
145.06494	1.9
145.10141	15.0
146.10812	0.9
147.08049	3.6
147.11671	7.2
149.09601	3.0
149.13248	2.7
155.08554	5.6
156.09317	4.0
157.08928	1.8
157.10130	18.1
158.10695	1.6
159.08064	2.4
159.11688	21.2
161.09601	4.0
161.13277	8.6
163.11171	3.9
163.14774	1.1
165.06987	1.1
167.08537	3.3
168.09293	1.2
169.10146	8.1
171.11694	7.6
173.09598	2.9
173.13269	6.7
175.07640	1.2
175.11188	8.7
175.14819	3.2
177.12717	2.2
179.08582	3.2
180.09296	1.8
181.10181	5.1
182.10904	2.9
183.11699	7.3
185.09721	1.4
185.13246	6.0
187.11188	3.7
187.14836	3.8
189.12717	11.3
190.13261	1.1
191.14317	2.9
192.09349	1.6
193.10168	3.6
194.10799	1.2
195.11673	9.0
196.12511	2.2
197.09621	1.2
197.13249	6.9
199.11252	1.7
199.14815	4.0
201.12762	3.5
201.16316	1.6
203.14256	1.3
205.10178	1.4
205.12192	1.3
206.10873	1.6
207.11722	6.5
207.13531	1.0
208.12390	1.9
209.13261	10.4
210.13860	1.3
211.11191	1.7
211.14844	7.9
213.12781	1.8
213.16405	3.5
215.14357	4.5
217.15912	1.1
219.11679	1.8
220.12442	1.3
221.13261	6.4
223.14844	9.2
225.12892	1.2
225.16374	4.4
227.10709	1.4
227.17885	1.4
229.12114	2.1
229.15910	2.6
233.13167	1.4
234.14131	1.1
235.14861	5.8
236.15495	1.4
237.16429	6.7
239.14296	1.1
241.12276	1.6
241.15959	1.3
243.13815	1.9
247.14735	1.9
249.16412	6.0
250.16963	1.3
251.14261	2.1
251.17947	5.3
255.13890	1.4
255.17325	1.5
262.17322	1.4
263.17990	9.3
264.18509	1.7
265.19632	3.4
267.13840	1.3
269.19043	1.5
277.19470	3.7
279.17676	1.0
279.21124	4.0
281.15540	1.4
281.18939	2.6
285.18591	2.7
289.19528	1.4
291.16986	1.6
291.19827	2.2
295.16858	1.2
305.19135	2.0
305.22519	1.3
307.20789	2.1
309.18552	3.3
319.20670	1.6
319.24149	22.0
320.24600	1.4
321.25812	8.8
323.20148	1.6
323.23639	1.2
337.25211	8.3
347.23688	13.2
365.24750	100.0
366.25214	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.45918	1.0
55.01863	5.9
55.05510	7.0
57.03434	43.8
57.07052	3.1
59.04984	0.8
65.03935	3.4
67.05501	41.9
69.03416	2.8
69.07064	6.0
70.06567	1.0
71.04986	5.5
71.65079	0.8
79.05492	23.1
81.03405	1.6
81.07046	20.0
83.04971	3.1
83.08609	3.9
85.02900	1.0
85.06539	34.7
88.07629	1.4
91.05480	17.6
93.07045	18.4
95.04965	54.6
95.08604	13.5
97.06516	6.5
97.10156	1.5
99.04482	1.0
99.08031	0.8
103.05467	1.1
105.07024	11.8
107.04962	7.1
107.08590	13.5
109.06516	47.7
109.10149	3.6
111.04382	1.4
111.08070	2.3
113.06001	100.0
114.06278	1.0
115.05424	1.2
117.07030	8.2
119.08572	8.9
121.06545	2.7
121.10124	5.1
123.04450	0.9
123.08035	2.5
123.11692	1.1
125.09587	1.1
125.56496	0.8
128.06201	2.0
129.06995	5.4
131.04955	0.8
131.08557	13.5
133.06502	3.1
133.10123	6.7
135.08051	31.8
135.11676	6.5
137.05984	2.7
137.09612	1.3
141.06946	1.4
143.08536	5.0
145.06560	1.2
145.10115	10.3
147.08067	3.2
147.11655	2.3
149.02353	2.6
149.09631	4.9
149.13199	2.0
157.10110	5.4
159.08047	2.6
159.11676	6.0
161.09607	6.3
161.13312	1.4
163.11151	2.8
169.10164	1.0
171.11632	3.0
173.09709	0.8
173.13283	3.4
175.11145	2.1
175.14810	1.0
177.12767	2.0
181.10199	0.9
183.11662	2.0
185.13263	1.9
187.11140	1.9
187.14851	1.1
189.12762	1.3
193.04984	3.3
195.11734	2.0
195.13710	1.6
199.11130	1.3
199.14893	4.1
200.20073	2.1
201.12822	2.0
211.14804	1.2
215.14297	1.0
217.15887	13.7
218.07195	1.0
219.13788	1.4
220.18523	0.9
234.10374	3.2
235.07475	3.5
242.07901	0.8
245.18964	2.4
250.09839	3.2
255.17503	1.7
264.55081	0.9
265.12213	5.9
273.18506	19.9
277.12183	1.0
291.19513	26.5
294.14926	5.7
305.12476	1.0
351.35129	1.0
365.14127	1.0
365.19095	2.5
365.23221	7.8
366.20438	0.9
366.22903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96553	1.0
53.03934	1.3
55.05507	6.3
57.07055	2.0
63.23874	1.0
67.05508	11.1
69.07062	37.5
70.67884	3.7
75.01930	1.1
79.05488	9.2
81.07055	24.7
83.08599	5.2
91.05468	10.8
93.07040	18.4
95.04937	1.7
95.08603	19.2
97.06546	2.4
97.10133	1.4
105.07026	28.6
107.04929	1.3
107.08586	15.1
109.06519	2.3
109.10153	7.8
115.05387	1.7
117.06996	6.8
119.08575	20.0
121.06489	2.6
121.10125	7.6
123.11660	5.1
125.05973	1.2
128.06232	1.9
129.07042	5.6
130.07764	1.5
131.08557	15.2
133.10123	9.7
135.11664	5.7
137.05986	2.4
137.09613	1.7
139.07538	4.3
141.07016	2.1
142.07788	9.4
143.08559	14.0
144.09297	3.5
145.06438	1.6
145.10120	18.4
147.08078	2.4
147.11716	7.0
149.13266	2.1
151.07591	2.3
153.06958	1.8
155.08569	9.0
156.09306	4.2
157.10121	30.6
158.10904	7.1
159.11679	28.1
161.09572	3.5
161.13254	11.6
163.11189	1.2
163.14743	1.1
165.07018	3.4
166.07747	1.6
167.08559	5.6
168.09315	3.3
169.10104	11.1
170.10809	2.0
171.08043	1.2
171.11678	9.2
173.06000	1.2
173.09645	1.7
173.13254	9.4
175.11145	9.1
175.14796	3.0
179.08595	4.6
180.09314	3.0
181.10117	8.5
182.10825	2.1
183.11690	12.3
185.09549	1.6
185.13249	6.2
187.07535	1.8
187.11150	1.5
187.14784	2.2
189.12622	1.6
192.09361	1.7
193.10149	6.2
194.10876	4.3
195.11653	14.9
196.12457	1.6
197.13298	10.3
199.07631	1.3
199.11185	2.1
199.14813	2.6
201.12740	2.5
205.12209	2.2
206.10956	2.6
207.11659	6.8
208.12514	2.5
209.13251	13.1
211.11093	1.3
211.14749	7.3
213.12820	2.2
213.16325	2.5
215.10695	1.5
215.14252	1.4
217.12187	1.3
221.13205	7.2
223.14854	8.9
224.15413	1.2
225.12712	2.7
225.16360	3.5
227.10660	2.0
227.14226	1.7
227.17870	1.3
229.12206	8.7
233.13155	3.3
234.14087	1.9
235.14833	6.8
237.16397	4.2
239.10619	1.9
239.14368	1.8
239.17871	2.3
241.12202	5.5
243.13702	3.7
247.14912	1.6
249.16484	6.7
250.17059	1.8
251.14299	1.4
251.17984	7.0
252.18607	3.0
253.12158	3.2
255.13701	1.9
263.17969	9.4
265.19553	3.9
267.13794	2.2
267.17435	1.3
269.15329	2.2
277.19507	4.4
279.21136	2.6
281.15356	1.6
281.18912	1.3
283.16931	1.5
285.18353	1.4
295.16953	2.7
296.17642	2.7
297.18372	5.2
307.20566	2.7
309.18408	6.7
319.24142	19.4
319.27625	1.9
321.25897	2.1
323.19910	1.8
336.46826	1.2
337.25183	10.0
347.23596	5.1
365.24728	100.0
366.25137	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01878	9.3
55.05512	37.4
57.03439	17.2
57.07076	2.1
65.03954	2.2
67.05505	46.3
68.02301	1.3
69.03423	14.6
69.07069	63.4
71.04976	3.6
71.63664	1.6
79.05495	36.3
79.88360	1.1
81.03420	9.4
81.07056	35.4
83.04966	5.6
83.08620	12.5
85.02921	1.7
85.06568	2.3
86.88230	1.1
89.12640	1.1
91.05480	22.3
93.03411	1.7
93.07047	26.1
95.04988	11.9
95.08603	17.8
97.02903	11.8
97.06541	7.9
97.10174	18.2
104.03764	1.1
105.07042	19.3
105.18621	1.3
107.04962	11.3
107.08590	21.0
109.06518	6.2
109.10159	13.7
111.04427	1.5
111.08080	3.6
113.06052	1.5
115.05463	1.4
117.07016	11.2
119.04945	1.3
119.08571	15.2
121.06490	3.3
121.10140	6.3
123.04440	1.7
123.08058	7.0
125.09631	15.4
128.06233	2.4
129.06972	6.1
131.08559	11.7
133.06516	4.6
133.10100	9.5
135.08038	6.6
135.11703	4.0
137.09610	4.1
141.06993	2.2
142.07793	2.6
143.08592	7.5
145.06465	2.6
145.10129	9.4
147.08040	7.2
147.11717	4.6
149.09628	4.1
149.13292	3.5
150.88242	1.2
151.11160	2.8
153.07028	2.2
153.09117	2.8
153.12730	1.1
155.08585	4.7
157.10107	6.8
159.08096	1.9
159.11690	3.7
161.09637	3.9
161.43465	1.3
163.11160	2.6
165.09172	2.6
168.09358	5.7
169.10100	1.9
171.11658	2.6
173.11842	1.3
175.11194	3.6
177.12810	3.4
179.10745	1.5
181.10162	1.7
183.11696	15.8
185.09607	1.4
185.13341	2.7
187.07611	2.0
187.11241	1.4
189.11263	9.7
193.12268	1.8
195.11652	1.6
195.13715	1.8
201.12749	1.7
205.12248	2.8
211.11142	2.9
223.13264	24.3
227.18004	2.3
229.12267	6.6
229.14273	1.2
241.29575	1.1
245.19037	3.7
249.14725	2.2
255.17398	2.5
263.20047	2.1
273.18481	23.0
291.19550	100.0
292.19965	4.0
325.23880	1.1
347.22330	1.8
365.23315	44.7
366.23721	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01874	18.5
55.05509	31.2
57.03181	3.2
57.03435	41.7
57.07063	3.5
57.82731	2.1
60.04524	4.9
63.93443	2.4
65.03918	5.9
67.05502	100.0
67.81281	2.2
67.86652	2.8
69.03421	9.5
69.07074	22.4
71.04982	7.8
71.38505	4.5
74.00801	2.1
79.05490	67.8
81.03423	13.3
81.07053	88.3
83.04971	14.9
83.08624	13.9
85.06530	21.6
88.53234	2.2
90.75832	2.3
91.05473	82.2
93.06464	3.6
93.07040	59.9
93.43333	2.4
95.04967	44.3
95.08607	35.3
97.02880	4.0
97.06534	11.6
97.10154	2.9
99.04443	3.3
103.05473	2.5
105.06381	4.6
105.07034	64.4
107.04942	23.3
107.08587	46.7
109.02917	2.9
109.06519	38.8
109.10159	35.4
111.04466	4.7
111.08060	7.8
113.06007	46.7
115.05495	4.0
117.07013	14.5
119.08583	28.8
121.06518	16.7
121.10162	14.6
123.04389	3.0
123.08059	8.1
123.11698	8.4
125.09627	2.6
129.06984	9.9
130.07831	4.0
131.08562	28.5
133.06491	16.4
133.10118	79.4
135.08034	38.4
135.11676	10.9
137.09637	8.1
139.07573	5.3
142.52528	2.8
143.08553	15.3
145.10117	17.6
147.08017	8.9
147.11731	6.0
149.09610	18.6
149.13351	2.7
151.11163	43.3
153.12700	3.3
155.08565	4.5
157.10109	11.6
159.08051	7.0
159.11662	6.3
161.09654	19.0
161.13248	4.3
163.11197	5.5
165.09109	5.1
169.12207	8.4
171.11681	9.4
173.13257	4.9
175.11188	7.4
177.09113	11.5
177.12674	3.4
179.10715	3.9
183.11687	5.4
184.63087	2.5
185.13184	4.9
187.11168	4.1
189.12816	4.5
195.11629	2.9
199.11131	5.3
199.14812	3.4
201.12794	5.9
205.12230	3.2
207.13858	2.9
215.12709	3.8
217.12299	3.4
217.15840	9.9
227.17909	3.0
245.18985	11.2
253.14410	18.6
255.17297	6.9
263.20062	9.6
273.18472	59.7
288.16052	3.4
291.19516	48.7
347.22119	6.1
365.23178	82.7
379.92621	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01873	8.5
55.05510	31.3
57.03434	11.2
57.43946	1.2
59.04972	2.3
61.66192	1.1
63.95171	1.3
65.03896	1.1
67.05504	37.5
69.03426	12.7
69.07067	56.2
71.04972	3.8
71.62901	1.1
71.63345	1.4
71.63747	1.6
79.01727	1.1
79.02190	1.3
79.05079	1.6
79.05496	27.3
80.05817	1.3
81.03404	5.5
81.07054	28.6
83.04967	4.8
83.08611	12.2
85.06550	1.5
91.04964	0.8
91.05475	21.6
93.07045	21.5
94.59790	1.1
95.04955	12.0
95.08611	18.5
97.02882	12.1
97.06551	6.6
97.10158	16.0
105.07036	15.9
107.04954	8.7
107.08596	17.4
109.06509	5.3
109.10160	13.7
111.08075	4.6
117.07016	8.1
119.08572	18.2
121.06483	4.5
121.10149	7.5
123.04399	2.1
123.08060	6.9
123.11676	1.8
125.09628	11.3
129.06989	4.4
131.08545	8.5
133.06467	4.9
133.10133	7.5
134.49200	1.2
135.08034	6.0
135.11691	4.2
137.09605	4.7
141.06940	1.5
143.08516	4.1
145.06476	2.4
145.10103	7.8
147.08043	7.4
147.11694	4.5
149.09575	2.9
149.13222	3.3
153.09084	2.6
157.10146	5.5
159.08089	1.9
159.11646	3.9
161.09575	5.8
163.11131	2.9
165.09119	3.6
171.10251	1.3
171.11684	2.6
173.09685	1.8
175.11188	3.0
177.12750	2.3
185.13315	1.7
189.11243	7.9
193.12311	1.7
195.13855	1.7
205.12239	2.8
223.13312	23.3
227.12830	2.4
227.17831	1.3
237.16518	1.4
245.18970	2.5
249.14798	2.0
255.17461	1.7
273.18472	26.0
291.19531	100.0
292.19928	2.7
347.22296	1.6
365.23236	59.2
366.23514	1.8
376.01242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.9
53.03925	2.8
55.01870	6.8
55.05509	30.3
56.96551	2.8
57.03432	9.8
59.04995	1.4
63.90805	0.8
65.03931	1.7
67.05501	36.8
67.64967	0.7
68.05819	0.9
69.03426	14.1
69.07067	40.1
71.04974	2.8
71.64662	1.0
75.04466	0.8
79.05490	33.0
79.05952	1.7
81.03421	6.3
81.07053	29.0
83.04980	6.8
83.08619	8.6
85.06522	1.6
91.05477	24.9
93.07041	25.0
94.04159	0.9
95.04972	10.7
95.08598	15.5
97.02888	16.8
97.06549	4.0
97.10165	17.4
99.08047	1.5
103.05437	1.1
105.06371	1.4
105.07027	17.9
107.04941	11.0
107.08591	20.5
109.02885	1.1
109.06512	5.1
109.10153	14.4
111.04406	0.8
111.08080	3.7
115.05457	1.6
117.07011	8.5
119.08585	14.1
121.06474	3.7
121.10138	6.4
122.80279	0.8
123.08079	4.9
123.11708	1.5
125.09631	13.8
125.68355	0.8
128.06232	2.0
129.06947	3.4
130.07823	1.2
131.08551	10.4
133.06487	4.4
133.10123	11.4
135.08025	6.8
135.11670	3.3
137.09602	4.3
142.07756	1.4
143.08536	5.0
145.10117	9.1
145.17601	0.7
147.08054	6.4
147.11655	4.1
148.01517	0.8
149.09587	3.4
149.13239	2.9
151.11159	3.4
153.09055	1.2
157.10117	4.0
159.08051	3.2
159.11653	3.8
161.09657	4.0
161.13243	1.0
163.11180	2.7
165.09122	2.3
169.10081	2.0
171.10144	1.3
171.11673	2.5
173.11823	1.5
173.13177	0.9
175.11185	2.9
177.09093	1.4
177.12743	2.0
179.10666	1.8
181.10143	1.0
185.13306	2.2
187.11151	1.2
189.11252	7.6
189.12767	1.5
195.11850	1.1
195.13803	2.2
199.11137	0.9
205.12233	3.0
213.12712	1.6
223.13278	29.8
223.15411	1.6
227.12805	2.3
227.17990	1.1
231.13759	1.4
245.18932	3.4
253.14279	2.0
255.17607	1.1
263.20056	2.6
269.14020	1.2
273.18506	21.6
291.19528	100.0
292.19849	3.3
303.38870	0.9
305.10468	1.8
310.21088	0.9
347.22250	2.3
361.95535	0.9
365.23206	56.2
366.23456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01868	7.6
55.05508	32.6
57.03436	9.2
59.04986	1.5
63.93152	1.0
65.03924	1.0
65.90624	0.8
67.05502	36.0
69.03423	12.1
69.07064	43.1
70.17461	3.0
70.17882	1.4
71.04967	1.2
79.05488	26.7
81.03424	6.2
81.07053	25.1
83.04964	5.9
83.08619	9.7
85.06538	1.7
91.04940	1.5
91.05476	15.0
93.07041	18.6
93.09519	0.8
95.04956	8.9
95.08601	13.0
97.02892	17.1
97.06522	3.4
97.10164	17.9
103.05435	1.0
105.03379	0.8
105.04460	1.2
105.07022	11.8
107.04950	7.2
107.08593	15.3
109.06505	3.7
109.10148	11.0
111.04446	1.4
111.08088	2.2
112.03735	0.8
117.06995	6.5
119.04972	0.9
119.08574	11.1
121.06481	3.0
121.10149	4.6
123.08063	5.6
125.09621	16.4
129.05499	1.3
129.06973	3.0
131.08545	7.0
133.06490	1.7
133.10133	4.7
135.08073	3.7
135.11665	1.8
137.05943	1.5
137.09587	4.3
141.06967	1.0
143.08563	3.8
145.06454	1.1
145.10098	6.1
147.08034	4.6
147.11670	2.9
149.09581	2.3
149.13272	2.9
151.11201	1.3
153.09077	2.1
157.10164	2.7
159.11694	3.0
161.09633	4.3
162.10352	1.0
163.11156	2.5
165.09169	1.8
171.11659	2.4
173.11761	1.6
173.13304	1.3
175.11221	2.2
177.12726	1.7
185.13368	0.9
189.11217	7.1
189.12743	1.2
195.13820	2.3
205.12256	3.3
223.13287	34.6
224.13362	0.9
225.55724	0.8
227.12737	1.4
227.18057	1.5
245.19023	1.9
255.17389	1.2
261.18442	1.2
263.20062	2.1
273.18503	11.9
291.19525	100.0
292.19867	2.3
308.33322	0.9
347.22119	1.7
358.49924	1.0
365.23233	39.5
366.23398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01870	7.0
55.05509	30.5
57.03436	12.1
57.07072	1.0
59.05004	1.6
61.07038	0.8
61.96647	0.7
64.98906	0.8
65.03945	1.3
67.05504	31.8
69.03081	0.9
69.03428	14.1
69.07067	48.2
69.43861	3.7
69.44292	3.9
70.52361	0.8
71.04985	2.1
77.03914	0.7
79.05493	31.1
81.03434	6.1
81.07056	26.5
83.04987	5.5
83.08615	9.3
85.06545	1.8
91.04967	1.3
91.05482	17.9
93.07049	21.8
95.01344	1.2
95.04967	8.9
95.08610	12.6
97.02882	16.4
97.06537	5.3
97.10170	19.3
98.21513	1.5
99.08086	0.9
103.05461	1.2
105.07026	13.3
107.04951	8.0
107.08593	15.2
107.09309	1.4
109.02897	1.4
109.06525	3.1
109.10168	10.3
111.04395	1.2
111.08092	2.1
115.05524	1.2
117.07016	7.7
119.04911	1.5
119.08578	11.7
121.06499	3.5
121.10150	5.4
123.08070	3.6
123.11723	0.9
125.09624	12.8
129.07008	4.1
131.08575	8.9
133.06493	3.1
133.10135	6.3
135.08046	4.5
135.11681	3.8
137.09605	3.6
142.07753	1.6
143.08551	3.6
145.06470	1.1
145.10100	5.2
147.08044	6.1
147.11667	2.6
149.09624	1.5
149.13249	3.4
151.11166	1.1
153.09113	1.2
157.10127	3.4
159.11711	3.3
161.09634	2.5
163.11142	1.4
165.09142	2.2
171.10197	1.1
171.11652	2.1
175.11214	1.9
177.12727	2.0
178.99074	0.8
185.13309	1.3
187.11206	1.1
189.11246	7.3
189.12781	1.3
195.13815	2.6
205.12259	2.4
223.13300	30.9
227.12628	0.9
237.16214	0.9
245.19028	2.2
249.15033	1.5
255.17464	2.1
263.20270	1.7
273.18515	14.5
273.21243	1.4
286.65155	0.9
291.19537	100.0
292.19843	2.9
347.22333	1.4
347.37192	0.8
365.23245	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01871	17.4
55.05506	32.9
57.03433	24.9
57.07055	6.8
59.04995	26.0
60.59932	2.2
63.52258	2.0
65.03924	5.4
67.05502	97.4
69.03427	12.5
69.07065	38.1
71.04979	4.9
79.05488	75.9
79.47006	2.1
81.03419	11.6
81.06570	4.9
81.07052	100.0
83.01345	3.3
83.04978	23.6
83.08618	15.7
85.06541	8.6
91.05472	91.5
93.06461	5.2
93.07037	74.1
95.01318	3.4
95.04966	26.2
95.08603	42.3
97.02885	5.1
97.06512	11.8
97.10186	4.6
99.04453	3.4
103.03955	2.7
103.05438	2.6
105.04493	2.6
105.07022	70.5
107.04943	21.1
107.08582	48.1
109.06506	20.0
109.10142	47.9
111.04449	7.0
111.08064	10.3
115.05478	3.7
117.07008	16.9
119.08559	23.7
121.06486	17.3
121.10128	22.0
123.08064	9.2
123.11714	8.9
125.09578	3.6
128.06198	5.5
129.07007	8.9
131.08545	32.7
133.06500	17.7
133.10123	80.1
134.10429	2.9
135.08070	21.2
135.11696	10.3
137.05939	2.8
137.09607	6.9
139.07547	5.6
141.07001	4.4
142.07755	4.7
142.92586	2.8
143.08545	15.4
144.09366	2.5
145.06474	3.1
145.10120	19.1
147.08040	9.6
147.11665	12.5
149.09596	26.9
149.13177	2.6
151.11171	43.2
153.09070	3.2
155.08589	4.8
157.10126	12.5
159.08070	9.1
159.11639	11.2
161.09610	13.9
161.13228	5.2
163.11151	6.9
165.09073	2.9
169.10135	5.0
169.12363	4.4
171.11674	7.7
173.09679	3.0
173.13286	4.9
175.11186	7.5
177.09109	10.5
177.12766	3.6
181.10075	3.0
183.11763	5.2
185.13257	4.3
189.12703	5.3
195.11613	5.2
195.13637	3.2
196.84167	2.3
197.13281	5.4
199.11194	2.7
209.13237	3.7
211.14888	3.1
213.12781	2.6
227.17982	4.0
245.18925	13.0
251.12808	3.3
253.14275	25.0
255.17467	6.3
263.20139	9.2
269.13800	5.5
273.18481	43.6
291.19550	32.1
319.23920	3.5
321.25140	3.7
332.21921	2.3
347.22708	7.1
365.23474	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01873	8.7
55.05508	30.2
57.03429	11.8
57.07052	1.0
59.04976	0.9
65.03931	1.6
67.05500	32.7
67.05864	2.1
69.03135	1.0
69.03431	12.6
69.07064	42.3
70.83521	2.4
71.04971	2.4
79.05489	27.0
81.03416	5.9
81.07051	21.7
83.04974	4.8
83.08615	8.4
85.06525	1.6
91.05477	17.7
93.07040	18.7
94.04146	1.1
95.01278	1.3
95.04955	9.0
95.08598	11.2
97.02888	16.7
97.06535	4.4
97.10168	18.8
105.07032	12.8
107.04961	7.9
107.08593	14.6
109.02838	1.5
109.06489	3.1
109.10143	9.1
111.04452	1.0
111.08051	3.2
115.05437	1.0
116.57303	1.0
117.07014	9.2
118.96314	0.8
119.04958	1.3
119.08584	13.1
121.06504	3.0
121.10126	5.3
123.08049	3.9
125.09635	12.6
128.06204	1.0
129.07005	3.4
131.08578	6.2
133.06459	1.7
133.10117	6.0
135.08018	3.0
135.11665	3.0
137.09636	4.6
142.07825	1.0
143.08546	4.0
145.10114	6.9
147.08032	6.3
147.11659	3.7
149.09615	2.6
149.13229	1.7
153.09059	2.1
157.10062	2.5
159.11699	3.1
161.09602	3.0
161.13187	1.2
163.11154	2.4
165.09097	3.0
171.10179	1.6
171.11655	2.2
175.11140	2.1
177.12695	1.8
179.10603	0.9
189.11185	6.8
189.12674	1.5
195.13754	2.5
205.12216	3.8
223.13284	32.3
227.17847	1.4
233.73967	1.0
245.19002	2.0
255.17459	1.1
263.20221	1.0
273.18530	14.3
291.19519	100.0
292.19907	2.5
347.21948	1.5
365.10571	1.7
365.23203	37.0
366.23413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
53.20104	2.2
55.01871	21.4
55.05510	38.6
57.03438	30.5
57.07069	4.9
59.04998	25.4
59.77199	2.2
60.06095	3.1
65.03941	9.1
67.05505	94.9
67.92285	2.6
69.03423	9.9
69.07070	37.4
70.07477	2.1
71.04987	10.1
73.02914	2.3
74.67170	2.4
79.05495	74.1
81.03412	15.9
81.06583	5.5
81.07059	91.2
83.04989	24.8
83.08614	13.3
85.06534	7.3
91.05479	100.0
93.07044	68.7
95.04969	30.1
95.08602	46.2
96.89510	2.2
97.02879	4.0
97.06538	11.6
97.10159	4.8
98.21523	5.2
99.08095	3.2
103.05488	3.8
105.07032	74.9
107.04961	26.0
107.08594	53.2
109.06509	15.3
109.09409	2.0
109.10148	48.4
109.10838	4.2
111.08076	11.3
113.06028	4.3
115.03941	2.4
115.05460	3.2
117.07031	16.0
119.04923	2.7
119.08578	29.3
121.06541	15.4
121.10145	22.5
123.04417	2.7
123.08076	7.9
123.11720	8.4
125.06015	3.2
125.09661	6.1
127.07547	3.0
128.06206	4.6
129.07022	7.5
131.08575	28.7
133.06473	23.0
133.10135	87.0
134.10544	2.6
135.08051	22.0
135.11673	13.3
137.05974	3.4
137.09601	7.0
139.07524	3.3
141.06981	3.3
142.07677	2.8
143.08582	12.2
145.10150	15.4
147.08043	9.7
147.11716	10.0
149.09610	23.1
151.07549	2.9
151.11194	53.6
155.08589	4.5
157.10184	11.7
159.07994	5.2
159.11749	12.7
161.09662	14.4
161.13249	5.2
163.11235	4.7
169.10097	3.8
169.12247	8.8
171.11729	8.5
173.09616	2.9
173.13321	3.7
175.11171	6.5
177.09131	14.8
177.12781	3.7
179.10741	4.8
181.10162	6.4
183.11760	5.3
185.13255	7.8
187.11209	3.7
189.12798	5.5
193.10172	4.4
195.11784	3.9
197.13254	3.8
199.11031	2.4
215.12732	4.0
223.13148	4.1
227.17847	2.9
245.19118	11.4
251.12794	4.8
253.14410	23.3
263.20108	9.5
269.13943	8.3
273.18488	39.1
291.16949	3.5
291.19623	36.0
319.24133	4.6
347.23038	3.9
365.23364	58.8
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
52.17162	1.9
52.31976	1.7
53.03936	5.0
55.01854	8.7
55.05292	1.8
55.05508	18.6
57.03435	53.8
57.07064	3.5
57.79859	1.6
60.04499	2.0
65.03925	2.4
67.05503	59.8
68.32960	2.0
69.03408	5.3
69.06713	2.5
69.07065	28.4
69.12035	1.7
69.60341	15.3
71.04975	6.8
78.32417	2.1
79.05489	31.2
81.03410	5.9
81.06634	3.1
81.07059	31.6
83.04966	4.6
83.08622	8.8
85.06543	41.1
89.78025	1.8
91.04949	2.8
91.05477	28.7
93.07041	28.5
95.04964	66.2
95.08601	19.9
97.02879	4.6
97.06521	9.4
97.10159	3.9
105.07038	15.8
107.04959	11.2
107.05598	2.3
107.08606	18.3
108.30225	1.9
109.06511	45.2
109.10148	9.5
111.08091	2.7
113.06002	100.0
115.05420	2.7
117.07003	10.5
117.11623	1.9
119.08585	12.9
121.06461	4.7
121.10122	7.3
123.08058	5.1
125.09622	7.3
129.06992	5.1
131.08580	13.2
133.06479	4.4
133.10098	8.2
135.08055	31.7
135.11664	8.0
137.09584	3.3
141.07007	2.8
143.08533	8.6
145.10121	9.5
147.08026	7.2
147.11687	5.0
149.09618	6.4
149.13222	2.7
155.08527	2.7
157.10085	7.6
159.11676	5.3
161.09607	7.6
171.11722	2.6
173.13284	3.8
175.11237	4.5
177.12770	2.3
183.11676	4.0
185.13171	2.9
187.11186	2.4
189.11214	2.6
195.13812	3.3
195.30757	1.8
195.43254	2.1
199.10973	2.4
199.14876	3.8
201.12791	4.6
217.15901	9.6
223.13206	9.5
227.18065	3.0
229.12384	2.3
245.18948	3.2
247.13202	4.3
273.18488	28.3
273.56741	1.8
291.19583	61.9
291.22824	3.6
319.44281	2.0
322.81119	1.9
365.23273	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	11.8
58.93515	0.8
70.98112	1.6
71.64529	1.3
71.95249	1.1
81.03431	1.2
84.96051	1.8
85.02901	3.3
87.41344	0.9
93.49490	0.8
97.02892	2.2
98.97582	11.9
99.04433	1.5
100.64861	1.0
101.00893	3.5
110.97550	2.1
112.99108	1.2
114.06813	2.6
115.02454	2.0
116.98627	9.0
119.01913	10.9
124.95488	1.7
127.03913	2.0
128.98622	3.9
131.00198	3.3
131.01878	7.4
133.03494	8.2
134.99660	3.2
137.01935	2.1
137.02928	1.6
142.96565	2.9
143.01933	3.7
145.03479	8.7
146.99628	4.5
147.05063	1.4
149.01271	3.7
149.02974	1.6
155.01939	2.2
156.02715	4.0
157.03459	4.7
158.99664	1.5
159.05057	4.2
160.97623	3.1
161.01233	1.7
161.02986	5.4
162.99142	1.4
163.04539	2.4
165.00778	2.8
169.03513	3.6
171.05045	5.4
173.01489	1.4
173.02956	7.2
173.06635	3.0
174.03760	1.1
174.99109	2.5
175.04539	2.1
177.00775	1.3
177.06090	2.3
182.03545	1.1
183.05038	1.5
184.02176	6.3
184.97636	2.5
185.02901	4.6
185.04274	22.0
187.04568	4.7
188.97081	5.4
189.00763	4.1
189.06131	1.8
190.98738	1.2
191.02339	1.1
191.04047	2.9
193.00229	3.2
195.01686	1.4
195.07201	1.4
197.02997	2.7
198.03732	1.2
199.04558	7.0
202.98643	5.1
203.05293	48.7
206.98169	3.4
207.01823	3.4
215.04033	2.4
217.00177	1.3
217.05553	5.5
219.01770	2.2
219.07205	4.1
220.99747	2.3
227.04062	2.1
230.98105	6.2
231.03522	1.0
231.07152	2.0
235.01262	2.5
235.06508	1.5
237.02823	1.7
237.85716	1.0
241.05643	1.3
244.99765	1.3
245.05048	13.8
247.06895	1.7
248.99323	3.2
249.08205	17.8
250.08466	1.2
255.03882	1.3
257.05124	1.0
259.06543	1.4
260.99200	1.2
263.00916	4.5
263.06284	3.3
265.06061	3.1
267.09250	12.4
272.09930	1.2
273.04477	1.3
275.06064	1.8
275.09842	5.8
281.01712	1.1
283.03345	0.8
283.06903	4.6
289.07816	3.2
293.10947	3.7
303.09216	14.4
305.07175	4.1
305.10379	1.2
317.07159	1.8
333.06616	2.9
342.62686	1.0
347.03845	1.5
347.08194	13.7
350.58197	1.0
365.10620	100.0
366.10828	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	364.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.8
67.05501	0.9
70.06583	0.7
70.67810	1.7
79.05492	1.6
81.03423	0.9
81.07078	1.2
91.05496	1.3
97.06515	3.8
97.07973	0.7
98.21449	0.8
117.13135	0.6
127.72668	0.7
135.72781	0.7
137.05988	1.6
165.07091	0.7
179.08617	1.3
190.07774	2.5
190.63329	0.7
202.07774	0.9
203.08501	1.8
205.06584	1.1
205.10089	1.6
207.08008	5.0
215.08737	1.2
218.07253	2.8
219.08054	3.6
220.08859	2.0
231.08055	3.4
232.08827	2.8
233.05923	1.6
233.09615	2.8
233.11708	2.1
235.07542	14.2
236.08162	1.6
245.06007	1.0
246.06769	2.1
247.07558	8.4
248.08293	2.7
249.09169	2.9
259.07520	7.2
260.08316	4.8
261.05499	1.5
261.09109	5.5
262.06158	0.9
262.06586	1.0
262.09891	11.7
263.07031	57.2
263.09964	2.0
264.07571	1.7
277.08597	7.4
278.09381	68.2
279.09653	2.9
284.10675	1.6
286.12448	4.3
288.10303	1.3
293.11710	100.0
294.12033	4.0
298.08484	0.9
302.11731	2.5
312.10251	3.9
313.10901	2.0
314.11710	6.6
315.09091	0.7
315.12518	2.9
316.09680	1.8
318.11261	1.9
330.11319	5.5
331.11911	2.9
332.12677	1.4
346.14377	62.9
347.14563	3.0
364.15390	41.3
364.33060	0.9
365.15741	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.3
57.03439	0.9
67.36467	0.6
71.14621	1.6
95.57666	0.7
98.97569	1.6
101.00877	1.9
113.00894	0.9
113.28734	0.7
113.47430	0.7
114.06807	0.9
116.98621	0.7
119.01939	6.2
122.01402	1.0
131.01909	8.2
131.51961	1.4
137.01915	2.6
137.51991	0.8
140.13451	0.8
143.01920	6.0
145.03468	2.6
149.01962	1.6
152.02461	1.5
155.01892	3.0
156.02666	1.8
157.03450	2.0
161.02954	5.7
167.01884	1.0
169.03490	1.1
171.05147	1.2
173.02971	9.6
173.06577	0.9
173.53052	1.7
175.04535	1.7
182.03542	1.2
184.02170	2.6
185.02881	6.3
185.04225	19.7
187.04485	2.1
191.03949	0.9
194.03514	0.9
197.02986	2.9
203.05307	52.7
215.03976	1.9
217.05630	1.6
224.04655	1.5
227.03906	1.2
245.05081	16.8
246.84267	0.7
249.08246	6.3
263.06091	3.1
265.06049	1.4
267.09262	4.3
275.06656	0.9
275.09766	2.4
283.06976	1.7
284.12805	0.7
293.07361	0.8
293.10767	1.4
303.09274	5.0
307.10794	0.8
347.08304	4.5
365.10779	100.0
366.10696	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	363.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01863	0.6
55.05509	3.8
57.07071	5.8
63.23403	0.5
67.05503	6.4
69.07069	4.9
71.04973	0.7
71.08618	4.5
71.66356	0.7
77.24557	0.5
79.05493	4.9
81.07052	10.4
83.04947	0.6
83.08615	1.4
85.06532	3.4
90.86435	0.5
91.05479	2.5
92.08888	0.5
93.07049	4.1
95.05006	0.9
95.08605	8.1
97.06539	1.2
99.08072	3.1
101.13808	0.5
105.07021	2.7
107.08595	4.2
109.06512	21.9
109.10158	3.6
117.06995	0.9
119.08561	4.4
121.06511	0.7
121.10128	2.3
122.07254	2.8
123.04516	0.6
123.08061	31.1
123.11700	1.8
124.08384	0.6
125.93768	0.5
131.08572	1.1
133.10150	2.4
135.08035	4.2
135.11656	0.8
137.09624	1.7
143.08565	0.6
145.10110	1.0
147.11676	1.6
148.11739	0.5
157.10167	0.7
159.11775	0.7
161.25490	0.5
165.12772	1.3
167.14319	1.8
179.14301	100.0
180.14662	2.0
180.75407	0.6
193.15872	4.4
236.14294	0.6
257.18472	0.5
259.87628	0.5
289.25378	1.1
307.22644	0.7
321.76309	0.6
331.26361	5.4
332.26437	0.6
363.28903	91.4
364.29425	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	363.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79474	1.2
55.05494	1.6
56.57469	1.3
57.07064	4.7
61.40841	1.4
67.05491	3.8
69.07054	6.4
71.04978	1.6
71.08628	2.1
71.35262	3.2
75.06100	1.3
79.05491	2.7
81.07039	8.7
83.08632	1.7
85.06539	2.8
91.05470	1.5
92.75697	1.3
93.07021	2.9
95.08622	7.1
98.93345	1.3
99.08068	2.5
105.07004	2.3
107.08562	3.2
109.06499	15.0
109.10149	3.4
121.10123	1.7
122.07278	2.4
123.08056	31.1
123.11697	2.0
131.08536	1.8
133.10114	3.4
135.08058	2.4
147.11674	2.8
149.13257	2.4
174.11304	1.5
179.14302	70.7
180.14633	2.0
193.15889	2.0
329.73993	1.5
331.26212	5.8
331.29660	1.4
363.13821	1.9
363.28897	100.0
364.29239	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	362.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.62278	0.8
56.05027	1.0
58.06585	2.6
60.04511	1.3
66.68167	0.8
67.05489	0.9
70.06573	2.9
70.98490	2.1
72.08128	1.5
73.02909	0.9
74.06068	2.3
79.05461	1.4
81.03405	1.3
84.04492	2.5
85.02899	1.3
85.74632	0.8
86.09703	9.6
87.04447	0.7
87.88359	0.9
88.03962	1.4
91.05462	1.6
93.06973	0.8
95.04947	1.5
103.03869	0.7
103.05441	1.1
103.72680	0.8
107.04965	1.8
107.79765	0.7
108.08123	1.0
109.02919	1.0
109.06541	0.9
116.07050	0.9
119.04990	1.2
119.54003	0.7
120.08084	2.3
122.03650	1.0
123.04389	1.5
123.17738	0.9
126.05494	2.4
127.03899	0.8
129.06532	0.9
131.04901	2.4
132.05666	0.9
136.07584	1.2
137.05957	8.0
144.06514	4.4
146.11752	6.2
147.04401	1.3
148.07559	2.7
149.08356	1.7
151.07529	1.4
153.06772	1.0
160.05212	1.3
160.07559	1.3
161.05852	1.0
162.09067	1.1
163.06252	1.6
163.07547	1.7
164.04691	2.1
164.07082	3.2
165.05521	1.2
167.07050	0.8
175.06297	1.5
176.07002	2.5
177.05460	1.7
177.07857	23.5
178.08670	6.2
180.10117	0.9
181.06432	1.1
187.14336	0.9
189.08760	2.5
190.08592	12.1
191.06993	2.6
191.09299	2.2
192.10179	100.0
193.07274	1.0
193.10529	2.3
196.09674	2.3
206.08136	1.5
208.09651	7.2
211.07565	1.1
215.10629	1.1
217.08160	1.9
224.09265	6.9
241.08556	1.0
259.09674	1.4
312.12540	1.1
315.14563	2.1
316.15439	1.1
327.12418	1.7
328.15472	4.3
329.16043	5.0
330.13217	1.7
344.14853	5.0
362.12094	1.1
362.15918	24.3
362.19473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	16.8
57.03428	0.9
60.04506	1.1
67.05464	0.8
69.03413	2.6
69.83836	0.8
70.06585	2.2
71.04982	1.1
71.64461	1.2
72.08131	0.9
73.02911	1.2
74.06034	0.8
77.01134	0.7
81.03415	2.0
83.04975	0.9
84.04450	1.0
84.08144	1.5
84.96034	2.1
85.02899	5.5
86.09682	2.4
89.03916	1.3
91.05492	1.0
95.04956	1.0
97.02905	3.7
98.97576	100.0
110.06047	0.8
110.07097	0.7
110.97575	1.9
112.07575	0.8
112.99135	0.7
113.00018	1.4
115.65761	0.7
116.98613	71.9
117.03349	0.9
119.01905	2.4
123.04420	0.9
127.03896	2.2
128.98575	4.1
129.10190	0.8
131.00195	1.3
132.03929	0.8
134.99652	38.8
135.04393	1.5
136.06149	7.5
137.02910	1.1
137.06638	4.9
137.22635	0.7
140.00188	3.4
143.00131	1.5
145.01672	1.1
145.02812	1.4
146.99652	4.4
147.04384	1.5
149.01231	0.9
153.00719	2.7
157.01782	0.8
158.01248	2.4
158.99648	49.1
159.03291	1.9
161.01198	2.0
161.02966	2.5
163.03893	7.1
164.04253	0.8
165.00824	1.1
170.99706	1.8
171.03354	0.9
173.03055	1.4
175.02821	3.1
175.08826	0.7
176.02397	0.8
177.00705	77.2
177.04289	2.1
185.01205	1.1
189.00667	2.1
191.02382	1.0
195.01810	6.3
200.02333	7.9
201.00685	3.5
201.04359	2.7
201.12434	1.0
212.37756	0.8
215.02357	1.2
219.01756	49.6
219.05298	2.5
220.02248	1.2
221.05026	1.2
233.03407	0.8
237.00693	1.5
237.02795	11.1
243.01755	1.9
243.05389	5.4
245.11885	0.8
255.03812	1.2
260.04562	1.5
261.02945	2.0
263.05896	0.8
280.07965	0.7
295.07257	1.3
303.07510	10.3
304.14398	0.8
309.08530	1.2
321.08527	17.5
363.09167	10.7
363.16641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.6
55.01859	1.3
55.05483	0.9
67.05461	2.2
67.61581	0.5
69.03411	0.7
69.07041	1.1
70.57063	0.5
71.64437	0.8
75.01598	0.6
79.05495	15.7
81.03418	9.5
81.07018	1.7
81.58327	0.6
90.19421	0.6
91.05484	4.8
93.07035	4.3
95.04972	8.3
95.08607	0.7
97.06533	4.4
98.06832	0.6
105.07018	5.2
107.04941	1.4
107.08590	12.0
109.06493	0.7
115.05421	0.8
117.07011	1.3
119.08606	3.0
121.02860	2.8
121.05744	0.7
121.06503	6.6
128.06157	0.8
129.06967	1.7
131.04901	1.1
131.08604	2.8
133.06424	2.0
133.10144	5.8
141.06934	1.2
143.08588	4.2
145.06483	3.1
145.10109	1.9
147.04359	1.5
147.08008	1.2
149.05969	2.9
151.07372	0.9
154.07799	0.9
155.08495	2.4
157.10117	3.4
159.08032	5.2
159.11694	1.7
161.05977	15.5
161.09613	26.2
162.09967	1.1
162.34183	0.6
167.07149	1.2
167.08530	3.8
169.06557	0.6
169.10117	2.1
171.08002	2.7
174.00169	0.5
175.07527	1.7
177.09123	1.3
179.08531	0.9
181.10045	1.4
183.08029	1.5
183.11771	0.6
185.09573	4.7
187.11234	1.0
189.09187	1.1
193.10094	1.2
195.08009	1.8
197.09555	1.0
197.13229	1.1
199.11137	0.9
203.10716	1.5
205.08592	1.8
207.11682	2.4
209.09541	1.4
211.07478	0.8
211.11125	2.6
213.09070	0.9
217.10190	0.9
225.12753	5.5
227.10718	0.7
227.14252	0.9
231.10143	1.6
235.11115	4.8
237.12683	2.7
243.10092	0.6
249.11246	7.3
253.12253	6.2
255.13882	1.8
257.11887	0.6
268.14063	0.6
271.10623	1.2
271.13309	14.5
281.11740	4.5
295.11871	0.9
299.12814	17.6
300.13043	0.7
300.94318	0.6
317.13834	100.0
318.14084	5.7
330.17709	0.9
345.13354	1.7
362.15973	23.2
362.19455	0.9
384.26871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03438	3.1
58.06595	5.0
61.02914	3.0
61.95261	2.2
65.03948	3.4
67.05511	5.5
69.03431	8.5
70.06606	12.5
71.63427	3.2
71.63834	3.0
72.08152	7.5
79.05502	12.3
81.03420	11.7
81.07061	5.9
83.04990	9.2
84.04511	6.3
84.08128	4.8
85.02902	17.7
86.09694	16.2
87.10018	2.8
91.05463	14.3
93.07040	18.5
95.04978	9.2
95.08624	5.4
97.02896	9.2
97.06535	2.6
98.97585	2.7
103.05447	5.5
105.07103	3.4
109.06492	3.3
111.04429	6.7
111.92541	2.4
113.05976	2.7
116.98611	2.4
119.04939	12.1
119.08582	3.2
121.06523	19.2
123.04459	3.8
123.08086	14.1
127.03896	4.4
129.10239	2.9
131.04903	11.4
137.05984	19.6
139.03952	2.4
139.07542	17.3
139.08440	2.8
141.07056	2.3
144.06648	4.4
145.04964	3.0
147.04416	36.2
149.05977	9.3
151.07550	6.5
157.05061	3.4
161.06094	2.7
161.09212	4.2
163.03915	6.0
163.07544	31.7
165.05643	3.1
165.06970	2.9
165.09178	3.9
167.07040	100.0
168.07445	4.5
169.02644	13.9
170.13396	2.2
184.56227	2.5
185.08028	4.2
196.82570	2.3
199.09613	22.4
207.49113	2.4
208.08437	2.4
209.11543	6.0
211.07445	2.6
215.05232	15.8
217.07169	3.8
225.11107	3.9
225.31960	2.8
227.09053	3.3
237.09097	3.2
241.14185	5.4
243.64166	2.5
253.10536	5.7
271.09729	2.6
272.10413	4.0
285.13150	10.0
361.09036	28.4
361.14334	5.2
361.19690	3.2
362.09116	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06349	2.2
58.06665	22.5
60.08084	0.5
70.06238	0.8
70.06666	3.6
70.10640	2.0
72.07814	0.4
72.08219	1.7
81.07111	0.5
84.04577	0.8
84.08222	0.8
85.02975	0.7
86.09753	0.6
98.97665	0.6
105.77677	0.5
116.07217	0.8
120.08121	0.7
123.04424	3.1
139.05539	0.5
141.07077	0.7
145.06583	0.6
145.10036	0.5
153.07054	0.9
163.07585	1.0
165.07101	1.3
167.08688	1.0
168.05759	1.3
169.06639	0.9
171.08060	0.8
178.07898	0.5
181.06601	1.0
182.07277	1.0
183.93758	0.6
184.05269	1.3
185.06104	0.7
193.06650	1.6
194.07269	1.2
195.04401	0.6
195.08162	1.0
196.05305	1.6
197.06065	1.8
198.06749	0.5
199.07535	1.3
208.05461	0.6
209.06030	1.1
210.06834	2.1
211.07533	0.7
212.04636	2.8
213.05577	2.1
220.05334	1.0
221.06102	1.4
223.03928	3.0
224.10095	0.5
225.05502	1.0
225.09119	1.4
226.06262	0.8
227.03447	3.9
227.07100	2.2
228.07684	0.6
236.04677	0.7
237.05481	0.9
238.06305	4.4
240.04282	1.3
241.04887	2.8
251.07068	0.6
253.08594	5.1
254.05693	3.7
255.06526	42.5
256.07016	2.3
269.08109	0.7
282.08661	0.6
293.09174	0.9
297.07617	2.8
300.06277	19.6
301.06561	0.9
315.08615	100.0
316.08820	3.8
321.30493	0.6
327.11130	0.8
327.14673	6.8
342.17004	0.7
360.14331	22.9
361.14664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72775	0.5
57.03667	0.4
58.06328	0.9
58.06596	25.7
59.06959	0.5
70.06588	3.3
70.19785	2.4
72.08205	1.5
74.06127	0.5
84.08186	1.6
85.02937	1.2
86.09744	1.7
91.05520	0.8
95.05011	0.7
108.08942	0.6
116.07142	0.7
116.98653	0.5
120.08163	1.3
123.04475	2.2
127.03960	0.7
129.07037	0.5
129.10249	0.7
141.06958	0.8
145.06508	0.5
147.04466	1.7
153.07085	0.7
153.88048	0.5
155.08524	0.7
163.07561	1.0
165.07069	1.9
167.08600	0.6
168.05719	1.2
169.06480	1.3
171.08098	1.0
179.08502	0.6
181.06502	0.9
182.07271	0.5
184.05193	0.9
185.06099	0.6
193.06531	1.4
194.07191	1.1
195.04428	1.0
195.08144	1.1
196.05234	1.1
197.06012	2.1
197.11775	0.7
199.07568	1.0
206.11920	0.9
209.06039	1.2
210.06781	2.0
211.07472	1.0
212.04797	2.2
213.05519	1.8
216.04100	0.7
217.13518	0.6
220.05171	0.7
221.05914	0.9
223.03947	2.2
223.07559	0.5
225.09109	1.3
226.06261	1.1
227.03421	3.2
227.07098	2.1
228.07864	1.4
229.08614	0.7
236.04825	0.6
236.08208	0.4
237.05516	1.0
238.06195	4.5
240.04208	2.1
241.04895	2.7
241.08714	0.6
245.12910	0.6
251.06868	0.7
253.08553	5.5
254.05695	3.0
255.06508	46.3
256.07239	2.3
256.09576	0.6
272.06815	0.7
282.08743	0.6
297.07529	3.6
297.10599	0.7
300.06262	21.3
311.23483	0.5
315.08591	100.0
316.08929	3.2
322.32733	0.5
327.11017	0.8
327.14600	7.4
342.17044	0.6
360.14334	25.9
361.14728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01868	4.7
55.05506	15.5
57.03428	3.7
57.07075	14.8
58.06591	6.4
59.04998	3.3
64.91217	1.9
65.03945	3.1
67.05165	2.9
67.05503	42.5
69.03409	5.5
69.07067	26.6
70.06582	3.8
70.78281	3.6
71.04986	6.7
72.08145	3.2
79.05502	29.0
81.03396	5.0
81.07056	83.2
83.04974	7.8
83.08607	5.9
84.08163	2.3
85.02916	3.4
85.06542	100.0
86.09705	26.8
87.04471	3.8
91.05469	22.2
93.07045	59.4
94.07374	2.1
95.04963	8.5
95.08607	66.9
97.06523	9.3
97.10182	5.0
99.08100	7.3
103.05461	2.6
105.07028	42.1
107.08591	51.3
107.09287	4.0
109.02881	4.0
109.06522	6.7
109.10157	45.6
111.08089	8.6
111.11699	3.5
113.09657	3.4
115.07595	2.4
117.07009	6.2
119.08589	36.0
121.06491	5.2
121.10125	36.2
123.08089	3.6
123.11732	16.8
125.09616	7.4
127.03825	2.6
131.08562	12.1
132.80699	2.0
133.10121	25.0
135.08060	8.4
135.11697	33.3
137.05984	12.6
137.09550	11.2
137.13239	4.7
139.07538	3.6
139.11179	10.0
143.08597	5.1
145.06470	3.4
145.10100	12.8
147.11708	16.9
149.05942	4.3
149.09731	2.2
149.13242	19.4
151.11211	3.9
153.12767	4.6
155.10651	3.2
157.10110	3.5
157.12187	4.0
159.11685	12.1
161.05962	5.0
161.13249	10.4
163.07547	6.3
163.11163	4.7
163.14816	7.4
165.12769	9.9
165.24088	2.4
167.07031	17.9
171.11687	5.2
173.13249	7.4
175.14864	8.4
177.12823	2.9
177.16362	5.9
179.08542	3.2
183.13786	2.5
183.37207	2.4
187.14825	7.4
189.16440	10.2
191.07047	4.2
191.08627	4.3
193.15819	6.4
194.07207	3.9
195.13773	2.5
197.11719	2.8
199.14862	2.5
201.12268	2.9
201.16458	4.0
203.17987	6.8
211.16940	9.4
213.16400	8.8
215.18098	2.2
219.08029	5.0
222.06827	2.0
227.08922	4.1
234.47975	2.2
257.22543	4.5
265.08554	7.5
269.22672	6.8
275.23792	5.6
279.10089	6.9
287.23730	9.0
293.24677	3.7
297.11188	6.4
299.12643	3.3
305.24597	7.2
311.12787	9.0
313.10498	3.7
323.25693	3.3
341.13632	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	359.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88484	0.6
55.01868	0.8
55.05504	7.4
56.05035	1.7
57.03434	0.7
57.05811	0.8
58.06602	5.8
59.06929	0.8
65.83715	0.7
67.05518	0.7
69.03419	1.6
69.07081	1.6
69.73026	1.3
69.73436	3.1
70.06592	3.9
71.64942	0.6
72.08152	100.0
73.08487	1.0
74.06078	1.0
79.05493	1.5
81.03432	1.0
81.07030	1.0
83.06100	8.3
84.04503	6.2
84.08130	3.2
85.02399	0.6
85.02884	3.0
86.09702	89.9
87.10027	1.3
89.03906	1.1
91.05459	1.3
95.04964	1.1
95.08622	0.8
97.02895	1.1
101.02372	0.7
101.07102	0.7
102.05514	0.7
105.07011	0.8
107.04958	2.3
115.05445	1.4
117.07051	0.9
118.08632	1.1
119.04939	0.9
120.08053	0.7
123.04395	0.8
123.08052	2.1
125.05959	1.8
127.03961	0.8
129.06502	0.9
129.10236	2.3
131.04915	2.8
132.10213	5.8
135.04402	1.5
137.05988	4.3
138.09108	2.9
143.04868	1.1
145.02814	1.0
145.06490	0.8
147.04332	1.5
149.05931	1.3
149.07069	0.7
151.03807	1.3
151.07544	2.3
155.11774	1.6
157.07622	0.9
157.13354	40.1
158.13631	1.3
161.05946	1.8
161.09457	0.8
163.03873	6.0
163.07542	1.0
165.05443	0.9
165.06863	0.8
166.08575	0.8
167.06987	2.5
175.07576	1.3
175.10773	39.8
177.05412	1.2
179.06993	0.7
179.08456	0.9
179.11981	0.7
182.12907	5.1
183.11284	5.6
185.12848	32.1
185.16399	2.4
196.14429	0.7
197.13002	1.0
199.18021	0.8
200.13910	2.5
205.08427	0.6
207.07976	1.8
210.12299	2.1
213.15961	1.8
219.08017	0.9
220.08296	0.7
223.07413	0.8
226.06024	0.6
227.08890	1.3
228.13435	1.6
235.07367	1.9
238.06161	1.0
239.10411	0.7
239.17409	2.5
249.05392	0.8
252.07782	1.0
254.05405	0.8
261.09833	0.9
263.06885	1.0
265.08560	1.2
279.10150	1.0
281.07874	1.5
284.19818	3.2
297.11057	0.8
298.08353	0.7
311.12692	0.9
313.10574	1.8
314.10794	0.9
323.08972	1.4
331.11743	1.4
338.50165	0.7
341.10156	2.2
341.21722	4.0
359.12985	6.0
359.16934	4.6
360.14178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03934	0.7
55.05499	1.2
57.03418	1.3
58.06596	2.6
58.65747	0.5
61.02907	1.5
67.05482	1.7
69.03431	4.4
69.07049	1.5
70.06567	0.6
70.91462	1.0
70.91821	0.6
71.04974	0.7
73.02900	0.7
77.05300	0.6
79.05483	3.1
81.03433	1.3
81.07045	3.4
83.00797	0.5
83.04959	1.8
85.02429	0.5
85.02908	10.1
86.09702	12.5
86.46291	0.6
87.04453	0.8
87.10030	2.1
91.05463	4.6
93.07041	7.9
95.04938	1.2
95.08584	2.2
97.02878	1.7
97.05234	0.6
97.06526	0.9
98.04548	0.5
98.20786	0.6
105.07021	8.5
107.08591	35.4
108.08884	0.7
109.02863	1.2
109.06494	1.9
109.10137	1.9
113.90600	0.5
117.07021	0.9
119.04907	0.9
119.08582	6.9
121.06495	1.3
121.10146	6.7
123.04381	0.6
123.08036	1.2
123.11673	1.5
127.03890	0.9
131.08562	1.1
133.10121	20.3
134.10449	1.2
135.11624	0.9
137.05984	2.4
137.09628	1.5
139.07533	2.0
143.08536	1.1
145.04912	0.9
149.09636	4.3
151.07547	1.2
151.11165	6.9
161.09624	6.3
162.47661	0.6
163.11203	0.8
167.07007	1.8
167.10670	14.5
175.05997	0.8
175.07455	0.6
179.10669	18.5
191.10739	0.6
197.11722	100.0
198.12016	2.5
200.13942	2.0
228.13373	0.6
235.07716	0.8
238.06223	0.5
281.08069	0.7
313.12753	2.2
323.08859	0.8
331.11691	1.1
342.10413	0.5
359.16754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01862	13.6
55.05506	8.5
57.03435	4.8
57.07072	3.1
65.03967	3.2
67.05511	16.2
69.03422	16.5
69.07066	38.6
71.04984	9.8
71.23682	2.8
71.65521	4.1
79.05495	32.1
81.07056	83.6
83.04990	6.9
83.08618	2.6
85.02929	2.9
85.06539	8.4
86.09698	4.2
86.18861	3.1
86.57262	2.3
91.05479	25.3
93.07039	100.0
95.04976	12.9
95.08612	11.4
97.02898	3.5
97.06538	24.9
99.04470	15.0
101.06027	2.9
103.05497	3.9
105.07026	47.0
106.09910	2.7
107.04963	3.9
107.08591	74.9
109.06519	32.0
109.10156	3.2
111.08099	15.6
111.11749	8.1
117.07048	6.5
119.08568	18.8
121.06516	25.7
121.10139	86.7
122.10514	3.2
123.08097	7.4
127.03899	3.5
130.07767	3.9
131.08607	4.9
135.08035	28.8
135.11681	23.7
137.05981	5.9
139.07556	3.4
139.11182	7.3
145.10127	38.9
147.11726	10.9
149.09615	33.9
151.03949	5.3
151.05054	3.3
151.07541	6.6
155.08588	2.8
163.11183	95.1
163.12518	5.3
164.11525	3.3
167.10667	50.1
169.08614	48.6
169.10036	3.5
173.06006	3.5
173.09686	9.7
181.12234	25.1
183.06581	9.3
185.11696	5.0
189.09233	2.8
191.10670	70.3
209.11731	16.9
213.07558	5.9
227.12778	27.8
231.05045	4.9
235.07175	2.8
241.10683	3.2
253.08588	4.1
281.13937	13.7
283.11874	4.2
295.09430	4.7
296.09784	3.4
299.14954	13.2
305.13821	13.5
310.11337	2.7
313.10870	3.9
313.14139	4.3
323.14777	9.0
327.12115	4.4
341.16113	5.3
342.14163	5.6
359.14944	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01842	2.2
57.03423	1.7
58.06598	8.4
59.04996	1.1
59.06923	1.3
61.02907	3.3
67.05492	0.9
69.03146	0.6
69.03429	7.5
69.07053	1.3
70.06578	2.2
70.87632	1.9
71.04967	1.9
72.08139	1.1
73.02901	1.1
78.97388	0.6
79.05483	2.5
81.03396	3.2
81.03812	0.8
81.07035	3.1
83.04934	1.0
84.08149	1.5
85.02905	31.4
86.09724	3.9
87.04467	0.9
91.03912	1.0
91.05458	6.3
93.07047	8.6
95.04942	3.8
95.08614	1.2
95.76310	0.8
97.02892	8.5
97.06499	0.8
99.04462	0.9
103.05443	2.5
105.07032	8.7
107.04945	0.8
107.08591	23.6
109.02858	2.9
109.06512	2.1
109.10133	2.7
111.04434	0.9
112.08732	0.7
117.06999	1.3
119.04919	1.0
119.08578	2.5
121.06519	4.3
123.04397	1.4
123.11691	1.4
127.03947	5.6
131.04906	2.5
131.08562	1.4
133.10124	23.5
134.10489	1.2
135.08026	1.1
135.11687	21.4
137.05988	3.7
137.09630	1.7
145.04973	2.9
146.07214	1.1
149.05983	1.1
151.11176	1.8
161.05910	0.8
161.09615	12.9
163.06140	0.8
165.07010	1.4
167.07002	1.6
177.05466	1.1
179.10667	34.0
180.10954	1.0
181.05003	1.7
190.08496	0.8
197.11719	100.0
198.12045	4.0
207.08070	1.5
215.13930	0.8
219.43993	0.8
221.06085	0.8
225.09050	1.0
228.13472	1.6
234.06648	1.1
235.07452	1.2
241.04785	0.7
253.08586	1.6
255.06479	2.3
262.06302	1.1
263.07025	1.4
281.07968	0.9
282.08603	0.9
293.31332	0.9
297.07495	0.8
299.09113	0.8
308.06781	1.0
313.10800	2.2
314.11108	1.7
315.08618	5.5
323.09073	1.7
327.14493	1.7
331.11850	1.2
341.10202	2.6
359.11282	1.0
359.16803	4.0
360.14398	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	(-)-Dehydrodiconiferyl Alcohol
Peak:m/z	Relative Intensity
53.03949	1.9
55.01854	5.8
55.05522	2.3
65.03922	6.1
67.05495	4.8
69.03423	3.3
69.07059	3.3
70.06606	2.8
71.03310	1.8
71.54787	3.0
71.55108	2.2
76.46926	1.9
78.48916	1.9
79.05476	6.7
81.07040	7.8
85.02893	5.4
85.06572	1.9
91.05453	5.8
93.07002	4.5
95.04956	2.2
96.78974	2.0
97.06536	12.2
103.05415	2.5
105.07025	6.8
107.04951	3.6
107.08553	4.3
111.04459	4.9
115.05476	2.0
119.04928	3.4
121.02847	12.9
121.06467	3.6
121.10147	2.5
123.04434	2.2
123.40234	1.8
124.05176	2.1
125.05997	3.4
128.06186	2.6
129.06973	2.6
131.04906	3.0
131.05821	2.0
133.06479	2.5
135.08034	4.4
137.05968	7.2
144.05672	2.4
145.06456	3.8
145.10095	3.6
147.04410	4.8
147.07959	2.6
149.02310	3.8
149.05977	2.8
151.03889	10.9
153.05441	7.9
156.01668	1.8
159.08023	8.2
161.05963	3.0
161.09612	3.3
163.11203	5.7
165.07005	4.7
166.07874	1.8
167.07030	7.3
167.08409	2.9
169.06450	3.0
171.06595	3.1
175.07648	2.1
178.07719	4.6
179.07086	5.8
179.08557	3.0
181.04997	28.6
181.06453	6.7
181.12283	2.8
182.07121	2.6
183.08011	3.4
184.08757	2.2
187.07440	2.5
191.08641	1.9
191.10680	5.8
194.07230	4.4
195.08139	11.2
197.05968	7.0
197.09590	3.3
199.07512	3.0
201.09157	2.2
206.07301	4.2
207.08076	4.1
208.05130	2.1
208.08783	3.0
209.05949	2.4
209.09738	3.0
210.06674	7.3
210.10323	2.9
211.07500	11.5
212.08337	4.2
213.09108	5.1
219.08018	2.2
220.08723	3.9
221.06062	4.5
221.09560	11.3
222.06734	4.6
222.10344	3.2
223.07478	10.0
224.08290	5.8
225.05524	4.0
225.09091	8.5
227.07065	8.0
227.10646	3.2
235.07521	4.7
237.09021	10.7
238.06235	4.4
238.09744	9.9
239.07005	9.1
239.10591	2.2
240.07819	19.0
241.08626	5.9
249.09100	7.7
250.10020	2.7
251.06990	6.9
252.07774	7.4
253.08629	29.3
253.12318	12.5
254.09248	3.3
255.06476	6.1
255.10167	8.8
257.08139	10.5
265.08578	7.0
266.09366	6.1
267.06589	3.4
267.10159	7.7
268.07318	7.4
269.08112	15.1
269.10956	2.5
270.08914	5.3
281.08081	9.7
281.11710	11.3
282.09030	3.3
282.12177	3.4
283.06354	3.9
283.09628	21.7
283.12820	3.4
284.10211	4.3
285.07602	5.3
285.10989	3.6
295.09418	2.6
297.07532	7.7
297.11133	5.6
298.08331	8.4
298.11661	2.9
299.12888	11.1
300.09933	21.5
309.11130	11.8
310.11890	3.4
311.09158	2.8
313.10666	100.0
313.14331	55.6
314.14462	2.1
326.11417	8.1
327.12277	40.5
328.12848	4.7
331.15341	19.9
341.09918	4.7
341.13821	48.7
355.99518	2.4
359.14850	98.2
359.65875	2.0
360.15002	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
52.01295	1.7
55.01866	3.0
55.05503	2.8
65.03941	2.1
67.05508	4.7
69.07056	3.0
69.76093	11.6
79.05489	5.4
81.03422	5.4
81.07038	6.6
85.02902	2.6
91.05468	4.6
93.07013	4.9
95.04964	6.7
95.08607	4.9
97.06519	11.0
103.05484	8.6
105.07021	6.1
107.04986	3.8
107.08635	2.5
109.02837	2.3
109.10081	3.0
111.04449	1.9
111.08041	1.8
112.52396	1.7
115.05436	4.7
117.07041	5.3
119.04942	3.8
119.08566	2.4
121.02885	2.3
121.06534	2.3
121.10133	2.6
122.03648	6.2
123.04462	2.9
124.05267	1.8
131.04945	16.6
131.08574	2.2
132.05266	5.5
133.06487	2.9
135.04396	3.2
137.02312	3.2
137.05977	100.0
138.03185	1.9
138.06311	32.7
139.06476	12.5
143.04921	4.9
145.10144	2.9
147.04391	7.4
149.06027	3.9
150.06786	3.2
151.03911	43.5
151.05081	2.5
151.07166	4.1
152.04250	17.1
153.01843	3.0
153.04376	3.5
153.05516	5.6
154.07832	2.0
155.08429	2.2
157.06519	2.4
157.10136	2.2
161.05933	5.4
163.07536	8.1
167.07025	4.2
171.07887	2.5
173.05943	2.9
175.07535	10.3
176.07896	2.5
177.05476	2.5
179.07005	7.5
181.04964	4.6
181.06490	4.1
187.07486	3.7
189.09093	4.3
190.09439	3.2
191.07126	3.4
195.07986	3.7
195.11732	2.3
197.05959	3.2
197.09767	2.1
199.07639	3.0
204.07361	3.6
209.09471	2.2
212.08420	2.9
217.08665	5.3
219.08092	2.2
223.07567	3.9
225.09119	3.8
226.06265	2.3
231.07930	3.4
235.10855	2.1
236.22346	2.1
237.09117	5.1
239.06877	2.2
240.07880	4.3
248.08246	3.0
253.08603	8.1
267.10321	2.4
268.07089	3.0
269.08249	4.7
269.11438	1.9
276.07739	2.7
279.10147	3.4
281.08038	3.4
283.09561	4.8
297.11191	3.5
298.08438	3.1
298.11444	10.1
299.12924	3.3
300.09891	3.4
309.11084	4.0
313.10699	10.2
313.14362	7.5
327.12195	8.4
328.12677	3.1
329.13168	6.9
341.13971	11.8
359.14682	28.8
359.22202	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.03943	1.8
55.05494	3.3
58.06582	6.1
67.05497	3.4
69.03420	2.7
69.07059	4.6
70.06584	2.7
71.20180	3.8
72.08142	7.9
75.23617	1.5
79.05486	7.4
81.03408	2.7
81.07045	6.9
85.02890	2.1
85.06525	3.6
86.09693	7.4
87.04478	2.0
91.05471	10.8
93.07035	6.8
94.04189	2.5
95.04962	4.0
95.08600	4.5
97.06525	3.4
98.85639	1.6
103.05464	58.6
103.06145	3.7
105.03404	2.0
105.07010	9.1
107.04953	6.0
107.08572	5.8
109.02850	2.0
109.06513	3.4
109.10146	3.2
111.04452	3.3
115.05470	1.7
117.07011	2.5
119.04918	5.5
119.08603	3.1
121.06506	3.7
121.10133	3.7
127.41326	1.6
129.05469	2.5
129.10228	1.9
131.04929	100.0
131.08594	2.0
132.05231	2.4
133.06448	2.9
133.10162	2.3
135.11685	1.8
137.05975	34.4
143.04955	2.2
146.11729	3.7
147.04402	4.5
147.08095	2.0
149.05978	3.5
151.03886	2.6
151.07555	4.7
153.05440	2.6
157.04839	2.3
160.05180	2.4
161.05988	9.2
162.06647	3.2
163.03853	2.3
163.07558	26.6
163.11182	2.9
163.14748	2.1
165.05559	1.8
165.07062	2.8
167.07051	5.0
175.07507	8.8
179.07079	4.7
179.08531	3.1
181.04984	1.7
181.06477	3.3
187.07538	4.7
189.05402	2.1
191.08540	2.0
193.08600	2.0
194.07199	3.0
194.99037	1.6
195.07915	2.7
205.08582	3.4
206.07138	2.1
207.08092	3.1
209.05917	3.1
214.11914	2.2
219.07979	1.8
223.07571	2.1
225.09077	2.3
235.07603	2.4
237.09135	2.1
240.07909	3.0
241.08275	1.7
251.10703	2.5
252.05621	2.3
252.07909	2.2
253.08659	6.3
265.08618	3.2
267.10065	2.3
268.07294	2.6
281.08081	4.8
285.11209	4.0
297.11273	4.1
298.06177	7.8
299.06412	9.0
299.12491	3.9
311.12778	5.1
313.10635	8.7
329.09952	2.1
341.10181	7.7
341.13861	4.1
342.08740	3.7
359.12775	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	359.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01865	2.6
55.05495	2.4
58.06581	5.5
59.13363	1.6
67.05495	3.4
69.07061	3.2
71.63952	1.9
72.08161	12.1
79.05479	5.6
81.03389	1.7
81.07055	7.6
83.04978	3.0
84.08130	2.7
85.02903	3.1
85.06530	3.3
86.09696	5.2
88.08933	1.5
91.05467	11.7
93.07017	6.6
95.04963	4.0
95.08602	2.5
97.06525	3.8
103.05461	59.6
104.05766	1.9
104.07295	1.5
105.07008	5.6
107.04954	5.0
107.08597	2.9
109.06470	2.2
109.10109	2.3
111.04444	2.9
115.05414	4.5
117.07000	2.9
119.04926	8.9
119.08591	1.9
121.06499	4.5
121.10114	3.5
122.03630	2.7
129.05487	1.9
129.06969	2.1
131.04918	100.0
133.06476	4.2
133.10152	1.9
137.05965	44.8
145.06444	2.6
146.11784	1.8
147.04413	5.6
147.11745	1.6
147.44527	1.4
149.05969	5.0
149.09612	1.8
151.03880	4.6
151.07507	3.0
153.05440	2.6
157.05016	1.8
157.06447	2.4
161.05960	10.6
162.06697	2.7
163.07535	29.0
163.11143	2.1
165.06920	2.3
167.07054	4.4
167.08540	1.8
169.06572	1.9
175.06107	3.1
175.07539	11.9
179.07051	3.7
187.07520	3.6
189.07004	1.9
191.08565	3.0
193.08597	3.4
194.07242	2.6
197.06090	1.6
203.08600	2.9
205.06720	1.9
205.08617	6.8
207.08075	3.2
209.05983	2.2
211.07565	2.1
219.08058	4.5
222.06609	1.8
223.07524	2.6
225.09138	3.2
231.07957	2.1
235.07545	3.6
237.09090	2.3
239.06947	2.8
239.10695	2.4
243.06439	1.8
247.07509	3.1
251.07079	3.1
251.10849	2.0
253.05092	1.7
253.08524	5.2
265.08496	2.4
267.06454	2.0
267.10031	2.2
269.08075	4.2
279.10107	5.3
281.08029	4.2
285.11255	3.1
295.09662	2.0
296.10321	1.9
297.11270	3.5
299.06552	3.5
299.09341	4.2
299.12729	3.7
310.07922	3.3
311.12793	5.8
313.10577	4.5
325.87982	1.8
329.09821	1.8
341.10211	5.8
341.13840	2.7
342.09003	3.4
359.11105	3.3
359.15018	7.1
367.63553	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	359.1124
Annotation	Arteminorin D
Peak:m/z	Relative Intensity
50.18167	1.0
53.03942	1.2
55.01859	2.9
55.05484	1.6
56.05026	2.4
58.06607	7.9
65.03930	2.2
67.05473	2.6
69.03417	1.9
69.07057	1.8
70.06248	1.0
70.06590	7.6
70.29501	1.1
71.03127	2.4
71.03466	1.9
72.08155	8.9
79.05481	6.2
81.03408	2.5
81.07046	2.5
83.04993	2.2
83.06093	2.6
84.04504	4.4
84.08144	9.2
85.02909	1.8
86.09705	17.3
91.05469	5.7
93.07023	3.0
95.01315	1.3
95.04967	4.3
95.08579	3.3
97.02891	1.7
99.04454	1.4
103.05468	6.6
105.07032	3.1
107.04951	9.3
111.04443	1.3
112.07584	1.2
113.06005	1.3
114.31524	1.2
115.05457	7.3
116.07066	2.4
117.07015	1.3
119.04931	2.6
121.06503	3.1
123.04419	8.5
123.08070	2.9
124.05192	2.0
125.05975	1.6
127.03914	1.9
129.10245	5.4
131.04933	10.2
132.10184	2.3
133.02815	1.1
135.04395	3.1
137.05984	14.3
137.12610	1.2
138.03088	1.3
140.04691	1.2
143.04942	9.9
147.04387	5.4
149.05994	7.7
151.03882	2.1
151.07513	3.3
152.04669	1.7
152.06070	1.5
153.05458	3.2
153.06969	2.0
155.03357	1.7
155.08458	1.3
159.04372	2.0
160.05168	3.5
161.05971	9.2
163.03847	4.4
163.07489	1.8
165.05469	3.3
165.06981	5.4
167.07056	20.5
167.08426	1.5
168.09306	1.3
171.11343	1.8
175.07500	2.3
176.06187	1.5
177.05461	5.4
177.06998	4.3
178.06386	1.6
178.07745	7.6
179.08560	10.8
181.04913	5.0
181.06509	3.2
182.07193	1.7
183.08028	2.7
183.11267	1.4
185.06439	1.7
187.03873	5.4
189.06984	16.5
189.12338	2.9
191.06995	1.6
191.08582	2.0
192.05655	4.7
193.06509	2.8
194.07188	2.4
195.07964	2.8
197.05936	1.9
197.09587	1.7
198.11235	1.6
199.07417	1.4
205.04848	3.5
205.06516	9.5
206.07265	8.6
207.06238	1.7
207.08061	28.8
209.06041	2.6
210.06743	10.8
211.07553	6.8
213.05580	1.6
217.06470	4.7
218.07112	3.6
220.05191	8.5
221.06010	13.7
222.06677	3.0
223.07590	5.9
224.08310	5.1
225.09103	6.3
226.06241	3.1
227.06989	2.0
232.05310	1.3
233.05992	3.7
234.06790	20.4
235.07545	43.5
236.08095	2.2
237.05472	9.7
237.09158	1.5
238.06239	12.4
239.07097	5.9
240.07921	1.7
241.04944	1.5
241.08688	2.5
245.05980	3.6
248.04733	2.6
249.05479	11.6
249.09328	1.6
250.06192	4.9
251.07016	11.1
252.07803	14.5
253.08601	27.3
255.06604	5.6
256.07431	1.8
262.06259	37.6
263.07043	36.0
264.07697	3.4
265.04944	18.3
265.08331	2.6
266.05725	11.6
267.06509	10.5
267.09961	5.8
269.08209	3.7
270.08884	1.6
271.06030	2.1
271.09540	2.4
277.04922	3.7
278.05841	1.9
279.06534	8.5
279.09375	1.5
280.07300	11.6
281.08090	42.1
282.08771	13.3
283.05966	7.1
283.09296	1.8
285.07742	1.5
285.11160	2.7
290.05829	5.8
291.06448	3.7
293.04556	1.9
294.05103	4.8
295.05991	3.4
295.09607	9.5
297.07599	4.3
298.08328	10.4
299.08908	1.5
299.12741	1.7
300.09622	1.7
308.06793	14.5
309.07550	15.2
310.07843	2.7
311.05411	3.1
311.12793	1.8
312.09839	2.3
313.10684	58.8
314.11023	3.4
315.12341	1.2
316.09357	3.2
323.09134	48.5
324.09610	1.9
326.07919	8.7
331.07977	2.2
331.11774	35.0
341.10199	100.0
342.10541	3.7
359.11505	7.4
359.16748	3.4
359.23080	1.3
371.34283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
58.06584	1.2
59.06918	0.4
70.99738	0.6
71.00065	1.0
81.07064	0.7
84.60865	0.5
86.09710	4.7
93.07030	0.5
119.05072	0.5
130.84505	0.4
131.04913	0.8
137.06024	2.3
137.43350	0.5
147.04305	0.5
151.03856	1.0
152.06277	0.7
153.06932	0.6
161.06017	0.5
165.06987	0.7
173.04202	0.6
177.06950	0.6
178.07802	1.9
179.07036	0.6
179.08521	0.8
187.07497	0.5
189.06952	1.1
189.45064	0.6
190.07784	0.8
191.08536	2.1
193.06436	0.7
194.07236	1.1
195.08086	2.0
199.18083	1.6
203.08585	0.6
204.06717	0.7
205.06604	5.8
206.07268	5.5
207.08032	5.9
208.05252	1.2
208.08707	1.2
209.05959	0.5
209.09572	0.8
217.06567	0.8
218.07240	1.2
219.08112	2.8
220.05315	0.9
220.08795	0.9
221.06018	5.2
221.09547	3.6
222.06718	1.5
222.10338	1.5
223.07524	4.7
224.08211	0.8
224.99669	0.6
231.08086	0.6
233.05994	4.2
234.06766	4.6
235.07541	11.3
236.04703	2.6
236.08296	6.8
237.05450	0.9
237.09070	2.9
238.09888	1.7
239.07028	1.6
239.10553	0.6
240.07747	1.4
246.06792	0.8
247.07550	6.0
248.04596	0.9
248.08269	2.8
249.05502	1.1
249.09134	4.8
250.06223	2.2
250.09906	3.9
251.04460	0.7
251.07030	11.5
251.10634	1.0
252.07787	5.3
253.05186	0.6
253.08467	1.1
254.11969	0.6
261.05518	1.1
261.09097	2.4
262.06256	2.0
263.07053	18.3
264.07675	2.6
265.05688	0.9
265.08575	6.8
266.09387	19.2
267.06830	0.9
267.10031	5.2
268.07330	8.5
269.07675	0.7
276.07681	0.7
277.08585	16.1
277.11606	1.1
278.09366	48.8
279.06531	11.1
279.09940	5.9
280.07251	4.2
280.10324	0.9
281.08130	1.8
281.11749	6.2
282.12155	0.7
283.09598	3.5
284.09933	0.8
291.09988	0.7
293.08157	7.1
294.08856	34.1
295.09607	27.2
296.06747	1.9
296.10068	2.6
309.11206	43.2
310.06415	0.8
310.11932	19.9
311.09128	18.2
311.12198	1.0
312.09552	1.9
325.10788	0.9
326.11420	22.6
327.11984	2.5
340.10913	0.8
341.13831	100.0
342.14175	9.5
358.16541	10.3
359.14697	0.5
376.16345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1646
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
55.01863	0.4
56.05030	0.7
57.72775	0.3
58.06598	100.0
59.06942	1.1
62.39234	0.3
70.06590	1.6
70.82268	0.6
70.82606	0.8
72.08154	10.1
74.06078	4.0
85.02905	0.5
95.93874	0.4
160.71637	0.3
184.05247	0.4
195.04451	0.5
199.07607	0.6
212.04703	0.8
225.09294	0.4
227.07068	2.7
240.18307	0.4
255.06505	0.8
285.11234	1.7
287.09122	5.2
287.12100	0.5
358.16498	18.3
359.16797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1648
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
53.30354	0.4
56.05040	0.9
58.06598	100.0
59.06936	2.3
64.09129	0.4
70.06593	1.8
72.08153	1.3
79.05502	0.6
84.08124	0.9
86.09704	2.0
86.32768	0.5
98.21496	1.1
99.12323	0.5
114.64014	0.5
119.08572	0.5
129.10292	0.7
131.04869	0.8
132.97702	0.6
137.06001	0.6
151.07594	0.4
165.06978	1.3
167.08577	0.7
176.08067	0.4
179.08553	0.9
181.06503	0.7
182.07324	0.8
183.07745	0.6
189.07149	0.5
193.06500	1.3
195.08075	0.8
197.05855	0.5
197.09529	0.5
207.08078	1.7
209.06059	1.0
210.06744	2.7
211.07530	1.0
220.05301	0.6
221.06007	3.5
223.07489	2.0
224.08307	1.2
225.05374	0.5
225.09039	1.1
235.07539	1.8
237.05411	1.3
238.06215	4.0
239.07025	0.8
240.07835	1.6
241.08502	0.8
242.09132	0.5
249.05504	2.3
251.06969	1.2
252.07829	0.7
253.08612	7.1
255.06514	1.1
255.10225	1.0
263.07053	1.6
263.24966	0.5
265.04974	0.6
265.08679	0.8
266.05685	1.5
268.07236	0.8
269.07828	0.7
279.06436	0.7
280.07486	0.7
281.05212	0.9
281.08075	10.6
282.08618	1.1
283.06302	1.0
283.09604	4.5
285.11176	0.9
298.08313	5.1
298.14359	0.8
299.08975	0.8
313.10672	20.6
314.11020	1.4
315.12115	3.1
326.13864	10.4
327.14630	1.0
328.15271	1.9
330.17245	0.6
340.15445	1.3
343.10107	0.5
343.14084	0.8
358.16461	44.0
359.16614	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	358.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94786	3.0
53.03952	19.4
54.04311	2.4
55.01857	9.7
55.05491	2.8
56.96560	43.7
57.03428	18.5
58.06597	77.0
61.02935	13.7
69.03078	3.5
69.03427	52.1
69.92291	17.3
70.06578	11.0
70.98112	12.8
71.04987	24.0
72.08139	10.5
73.02914	18.7
81.03406	16.1
83.04959	3.8
84.08131	4.1
84.96021	13.0
85.02899	100.0
86.09695	3.6
87.04453	8.1
88.99163	5.1
91.03945	3.3
97.02893	42.1
97.74808	2.6
98.20866	4.5
98.97574	41.9
99.04440	11.5
109.02866	8.1
110.97583	8.1
111.04408	8.0
112.99114	4.5
113.06019	4.3
115.03914	9.2
116.07089	6.2
116.98654	15.0
117.02034	5.8
119.00137	4.0
119.01792	8.6
125.02348	20.2
127.03918	55.7
128.02336	8.5
128.04228	4.6
128.98613	13.6
131.00162	7.7
133.03461	4.8
133.04935	6.9
134.99622	4.0
137.05894	2.9
139.03868	10.9
143.00131	9.6
144.02596	5.1
145.01764	3.7
145.03474	4.1
145.04938	16.6
146.03568	2.7
146.99644	7.5
152.02301	3.5
153.01813	5.6
157.01706	5.5
158.99635	9.8
161.01204	7.5
163.02702	3.9
163.03902	6.7
165.00641	6.4
170.99652	9.9
171.03162	5.6
173.01286	5.6
173.02789	6.0
175.11928	7.9
177.00708	7.3
180.03618	7.1
182.03290	3.9
182.99669	7.9
183.03255	4.4
185.01231	3.1
186.97823	3.3
187.02733	9.1
189.00711	10.4
189.04253	11.9
191.02278	4.7
191.03841	7.8
196.03091	25.8
197.01212	9.8
200.04443	13.2
201.00726	16.5
202.03143	11.2
207.01743	6.5
211.03683	22.0
213.04230	2.9
215.02258	28.7
216.02368	3.6
217.71242	2.9
219.01746	13.2
226.04045	3.4
227.02397	4.0
227.07014	3.7
231.01845	3.5
233.03297	43.0
237.02824	12.4
239.02264	6.3
245.03249	6.0
249.02910	4.0
256.07388	4.0
257.03293	7.8
259.01102	4.5
261.02768	6.6
268.05136	14.0
271.04800	5.8
275.04425	4.1
277.02640	4.7
277.05707	14.5
277.55920	3.1
279.03766	3.5
279.09058	3.3
283.04868	5.3
286.08426	9.0
287.04297	8.6
287.09003	4.5
301.05820	10.1
312.07678	3.3
329.05252	16.0
347.06491	32.8
358.08228	14.2
358.16599	13.4
359.07385	10.5
373.04324	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03928	2.7
55.01869	3.3
55.05505	57.6
57.03441	15.8
57.07071	33.1
67.05499	60.1
69.07063	86.3
69.95620	6.2
69.96028	12.7
70.06574	8.7
70.07391	3.4
71.04972	3.6
71.08624	25.2
75.04517	2.9
79.05483	49.5
81.01020	2.5
81.07047	75.3
83.04974	4.3
83.08608	54.7
85.06525	5.0
85.10177	15.0
88.07617	11.5
91.05462	7.3
93.07042	51.0
95.04941	3.2
95.08601	64.1
95.09214	3.7
96.08934	2.6
97.06516	27.2
97.10162	35.2
102.09192	3.4
103.03934	9.3
105.06990	3.0
106.08626	7.3
107.08578	44.2
109.10151	41.3
111.08083	11.3
111.11693	13.5
121.10139	78.5
123.11691	13.1
125.09617	5.8
129.05495	4.0
135.11687	53.4
137.06003	3.0
137.13229	6.4
139.11157	7.3
143.08551	2.8
143.14252	3.7
149.13243	22.9
151.14798	8.1
153.12717	5.3
163.14822	10.0
165.16365	7.5
167.14362	4.2
177.16405	6.5
181.15833	3.2
185.15482	2.9
186.92268	3.0
191.17880	5.0
195.17531	3.0
247.24191	63.2
265.25253	56.7
283.26221	3.0
339.28885	38.1
339.34482	5.1
357.26108	3.8
357.30609	5.9
357.35535	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	357.1691
Annotation	futokadsurin B
Peak:m/z	Relative Intensity
53.03925	4.5
55.01857	1.8
55.05510	2.5
58.06583	4.3
60.52583	1.4
64.10361	1.3
64.11819	1.5
66.04706	1.7
67.05514	3.5
69.03419	1.7
69.07063	2.8
70.06583	1.8
71.64373	2.0
71.64758	2.1
79.05486	13.1
81.07048	7.1
83.08611	1.6
88.07596	1.6
91.04965	2.6
91.05476	39.3
93.07042	15.6
94.04231	2.8
95.04936	9.1
95.08593	2.7
97.02918	1.7
97.06525	6.5
103.05460	5.4
105.07007	5.9
107.04946	24.4
107.08620	2.2
109.06503	2.2
115.05484	1.6
117.06995	3.2
119.04937	20.7
120.05712	2.3
121.06496	16.7
122.03629	5.8
123.04424	2.6
124.05167	5.3
125.05943	5.2
128.06204	7.0
130.07758	1.7
131.04869	1.8
131.08568	1.8
133.02849	1.9
133.10065	2.0
136.05217	2.9
137.05974	100.0
139.07535	2.5
143.08565	21.2
145.06461	1.9
145.10159	10.2
147.04434	2.3
147.07965	1.8
148.05240	2.5
149.05963	5.5
151.03894	6.0
151.07536	86.2
152.04645	3.5
155.08572	3.3
158.07256	7.6
159.08141	1.8
160.08835	1.8
165.05504	2.2
165.09088	8.6
166.06322	10.9
167.07036	54.5
171.08031	25.2
172.08755	3.3
173.06003	3.6
173.09601	12.7
181.08591	98.9
188.08327	23.1
189.09068	2.1
195.10153	6.7
201.09111	21.5
203.10658	64.7
211.11240	1.5
233.09660	2.1
233.11685	9.3
253.08406	1.6
271.91440	1.6
273.10092	1.5
293.11667	1.9
295.27551	3.6
357.13272	3.1
357.16977	25.6
357.20773	2.0
357.31100	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	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01855	1.3
55.05500	1.6
58.06586	1.1
65.03943	1.1
67.05483	3.6
69.07050	1.2
70.76072	1.5
70.76442	1.5
78.04705	1.1
79.05480	12.3
81.07054	4.0
83.04963	0.8
83.08613	0.9
85.06512	0.7
91.05468	14.9
93.07046	6.6
95.04962	4.9
95.08586	2.7
97.02908	0.9
103.05444	6.2
105.07018	19.2
107.04946	24.8
107.08575	1.4
109.06535	1.6
109.10149	0.9
111.04482	1.2
115.05444	11.1
116.06238	0.9
117.07006	8.6
118.04126	1.9
119.04919	2.7
119.08573	3.4
121.06495	10.6
121.10165	1.3
123.04382	3.8
124.05191	3.6
125.05962	2.1
128.06210	24.4
129.07022	3.5
131.04936	4.3
131.08545	4.3
132.05711	1.5
133.06482	12.1
133.10089	1.6
135.04440	1.3
135.08026	2.6
137.05978	8.4
137.09630	0.7
140.04686	0.8
141.06996	2.4
142.07735	1.7
143.04881	2.6
143.06017	0.9
143.08543	31.6
144.05688	1.4
144.08855	0.9
145.05382	1.2
145.06471	16.2
145.07611	0.9
145.10117	2.7
146.07260	7.9
147.04382	1.9
147.08043	2.7
147.11659	0.9
148.05157	1.2
149.05942	2.7
149.09633	1.5
151.03867	2.4
151.07480	3.4
152.04651	1.2
153.05521	3.5
153.06799	0.8
155.05992	1.4
155.08516	1.0
157.06454	1.2
157.10089	2.7
158.07262	1.3
159.04469	0.8
159.08018	2.8
159.11678	1.4
160.05106	1.5
160.08832	3.0
161.05971	11.6
161.09583	11.0
161.13268	0.9
162.06744	2.9
163.03914	9.4
163.07506	7.5
165.06995	1.2
165.09021	1.7
166.06212	2.7
167.07027	29.9
169.06363	0.8
170.07210	1.2
171.08037	35.8
171.11644	0.9
172.08731	1.7
173.05972	7.8
173.09581	2.8
174.06656	1.4
175.07536	10.4
175.11156	2.9
177.09079	8.3
178.06247	11.9
179.07109	0.9
179.08598	0.9
181.08578	29.5
181.10164	1.6
185.09615	1.8
187.07545	7.5
187.11176	0.9
188.08304	52.1
189.09010	1.1
190.07735	1.6
193.08571	18.2
193.10240	1.3
194.09232	1.7
195.10179	3.4
201.09154	1.9
202.09923	1.2
203.10646	100.0
204.11008	2.0
205.10132	1.4
217.12183	2.0
221.06004	1.0
222.10376	1.0
233.09534	2.0
233.11705	2.6
235.07526	1.5
237.08943	0.7
249.09100	0.9
250.09837	1.1
252.07756	0.8
253.08508	0.8
255.78580	0.9
261.09094	1.3
263.06744	1.0
265.12073	1.9
278.09238	0.9
293.11694	1.3
297.14786	0.8
310.12015	0.7
313.10663	1.6
325.14243	2.2
328.13104	2.3
329.24649	1.3
339.23209	2.2
342.14270	1.0
357.16965	19.4
357.23938	5.8
358.16956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Odoratisol A
Peak:m/z	Relative Intensity
50.44881	1.0
53.03939	1.6
55.01857	2.5
65.03915	1.3
70.92002	3.0
77.03922	1.2
79.05491	10.6
81.07042	1.6
91.05474	11.4
93.07056	4.6
95.04956	3.6
103.05452	8.5
105.07024	20.7
106.04183	1.1
107.04945	37.4
107.08592	1.1
114.41388	0.9
115.05450	13.4
115.24803	0.8
116.06256	0.9
116.68952	0.9
117.06995	7.1
118.04142	1.0
119.04943	3.6
119.08563	2.2
121.06503	10.1
122.03632	2.1
123.04430	3.7
124.05192	2.8
125.05991	1.4
128.06219	24.9
129.06993	1.9
131.04956	4.7
131.08548	2.2
132.05714	1.7
133.06488	15.3
133.10118	1.0
135.08025	4.3
137.05981	12.2
141.06975	1.9
142.07718	1.4
143.04922	1.3
143.08554	31.7
144.05704	1.1
145.06477	14.6
145.10091	1.9
146.07262	8.3
147.04416	3.8
147.08012	1.7
149.05992	2.1
149.09564	1.1
150.06783	1.1
151.03885	1.6
151.07545	4.3
152.04691	1.3
153.05461	3.2
155.05975	1.7
158.07246	1.3
159.04419	1.5
159.08038	3.9
160.05219	2.6
160.08809	3.4
161.05980	12.1
161.09604	11.4
162.06761	5.7
163.03897	9.6
163.07533	16.2
165.09106	3.4
166.06259	2.9
167.05615	1.8
167.07024	32.7
169.06435	1.0
171.08044	38.1
172.08795	2.0
173.05983	6.8
173.09674	2.5
174.06810	1.8
175.07542	13.7
175.11162	3.3
177.05284	1.0
177.09061	8.2
178.06242	14.3
179.07045	3.7
181.05019	2.0
181.08586	26.4
185.09637	1.1
187.07620	7.1
188.08319	42.9
189.06998	1.2
189.08910	2.0
193.06790	1.6
193.08592	31.5
194.09363	12.8
195.10197	4.3
195.11736	1.0
201.09076	2.8
202.09889	1.0
203.10652	100.0
204.10948	1.1
207.08167	1.2
217.12216	2.6
218.07124	1.2
223.11398	0.9
233.09656	1.2
233.11787	2.1
235.07414	1.2
250.10008	1.2
253.08580	1.1
261.09091	2.2
263.07178	0.9
265.12277	1.7
277.08676	1.1
293.11707	2.9
295.09503	1.2
297.11359	1.1
297.14767	1.4
313.10867	2.1
316.12979	1.0
325.14334	3.3
328.13116	2.1
357.16937	44.0
358.17053	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.84826	0.3
53.03934	0.4
53.88222	0.3
55.01865	1.0
55.05501	0.6
56.85137	0.4
58.06587	1.2
65.03934	0.5
67.05495	1.2
69.03423	0.9
69.07062	0.6
70.96291	0.4
71.30718	0.5
79.05472	1.8
80.05898	0.4
81.03397	0.6
81.07054	1.2
91.05473	1.9
93.07037	0.6
94.04196	2.4
95.05006	0.5
95.08604	0.5
97.06535	3.0
97.10181	0.4
98.06873	0.4
99.12686	0.4
103.05450	1.1
105.07041	0.8
107.04944	1.1
107.08605	0.6
109.06471	0.6
109.10178	0.5
111.04416	0.6
115.05448	2.3
117.07002	1.4
119.04961	0.5
119.08594	0.4
121.10162	0.5
122.03654	7.5
123.04431	0.4
131.04930	1.2
135.04437	0.4
137.05974	100.0
138.06311	1.9
141.05475	0.9
143.04935	5.1
147.04437	0.4
149.05969	0.4
151.03909	20.5
151.05025	1.8
151.07573	0.6
155.08565	0.4
160.05141	0.5
161.05951	0.9
163.07570	0.6
165.05473	0.9
167.07048	1.4
171.07896	0.5
175.07576	2.1
177.05507	1.2
178.07870	0.5
185.06062	0.5
187.07527	0.5
189.09239	0.5
190.07811	0.5
191.06982	0.8
191.08549	0.5
195.08054	0.8
201.07112	0.4
203.07010	2.1
205.08591	3.0
207.08012	1.0
209.09604	0.5
215.06967	0.7
219.08022	1.5
221.05972	0.6
222.06885	0.7
223.07507	0.5
234.06685	0.6
235.07497	1.1
237.09013	0.8
239.07033	0.6
239.10716	0.4
247.07440	0.9
249.05408	0.7
249.09166	0.6
250.06126	0.4
252.07942	0.4
253.08603	1.0
259.09589	0.8
262.06042	0.5
263.07114	0.7
264.07755	0.7
265.08597	0.6
267.10223	0.8
269.08145	0.5
275.07376	0.5
277.08295	0.9
279.10056	1.1
283.06439	0.4
283.09433	0.5
289.08456	0.4
295.09653	0.7
297.11200	1.1
307.09677	2.0
309.10788	0.8
311.09158	0.6
321.11191	1.5
325.10666	1.7
327.12283	11.4
328.12750	0.7
339.12112	1.3
340.12680	0.6
357.13275	24.2
357.23828	0.8
358.13644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
51.48985	0.2
53.03950	0.3
55.01872	0.3
57.03431	0.2
58.06593	0.8
58.15655	0.2
65.03956	0.4
66.04719	0.3
67.05499	0.5
68.48632	0.2
69.03411	0.2
69.07081	0.2
70.54642	0.8
77.76628	0.2
79.05479	0.7
81.03415	0.3
81.07048	0.8
85.02910	0.3
91.05483	0.7
93.07047	0.6
94.04174	2.1
95.04964	0.5
98.20818	0.2
103.87495	0.2
104.77348	0.2
105.07035	0.8
107.04949	0.5
107.08582	0.4
108.02116	0.3
109.02857	0.3
109.06508	0.4
111.04449	0.2
115.05453	1.3
117.07003	1.0
121.06480	0.4
121.10188	0.2
122.03641	6.8
129.06979	0.4
131.04959	0.3
133.10056	0.3
135.11563	0.2
137.05969	100.0
138.06302	2.2
141.05472	0.4
143.04910	6.2
145.06473	0.3
145.10069	0.2
151.03899	13.2
151.04996	1.0
152.04251	0.2
161.05952	0.5
161.09621	0.5
163.11230	0.4
165.05414	0.3
167.07004	0.4
171.85838	0.2
173.05960	0.2
174.49728	0.2
175.07536	2.1
177.09087	0.8
181.04984	0.3
189.09055	0.3
191.06973	0.4
191.08647	0.2
203.06998	1.8
205.08548	2.4
210.06673	0.2
219.07919	0.2
233.07935	0.3
235.07610	0.5
247.07552	0.2
249.09171	0.3
264.07782	0.3
277.08585	0.5
279.10156	0.5
282.09006	0.5
297.11145	1.6
307.09711	0.3
325.10718	0.7
327.12250	11.6
328.12524	0.6
339.12164	0.4
340.11783	0.3
357.13300	23.0
357.18280	0.9
358.13651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.13838	1.2
52.70314	1.2
55.01874	13.1
58.06580	5.1
65.03915	3.5
67.05481	1.4
69.03419	2.5
69.89629	6.8
79.05491	4.3
81.07051	3.3
90.58322	1.3
91.05466	5.8
93.03395	2.4
94.04199	7.1
95.05007	1.7
97.06527	3.0
103.05436	5.7
105.07035	2.9
107.04894	2.2
109.06495	4.1
111.04441	3.0
115.05451	5.6
117.03399	2.0
117.07015	1.9
119.04887	1.7
122.03648	13.2
125.06004	2.7
131.04910	5.9
133.06473	2.3
137.05972	100.0
138.06342	3.0
143.04897	7.8
144.05751	2.4
145.06407	2.0
146.03593	4.5
147.04443	3.8
147.11572	1.8
149.05928	2.2
151.03915	11.3
153.05449	2.2
155.04869	3.1
156.63142	1.5
161.05983	16.8
162.06718	2.8
163.03914	2.6
163.07439	2.5
165.05495	22.8
165.06914	3.6
167.07025	1.4
171.04515	2.2
173.05959	1.6
175.07567	5.7
176.06346	1.4
177.05447	8.0
177.06979	2.5
178.07784	1.7
179.08476	2.4
183.04416	1.9
187.07520	3.6
189.05493	2.3
189.06914	7.3
190.07742	9.1
191.08572	10.9
193.06461	1.8
201.06956	1.5
202.07753	2.8
203.06976	5.3
205.06464	4.5
206.07303	1.9
207.08047	8.8
208.08774	4.2
215.07013	4.9
217.06395	3.0
218.07285	14.2
219.08047	18.2
220.08643	4.0
221.05962	3.0
222.06721	2.2
223.07306	1.3
224.08347	1.7
225.09207	1.6
229.06468	2.9
231.08041	3.4
233.06061	2.5
233.09633	2.1
234.06717	5.8
235.07480	13.0
236.08261	6.1
237.09091	2.0
246.06795	10.6
247.07530	23.8
248.08302	4.0
249.05524	3.2
249.09273	8.0
250.06255	2.0
250.09659	1.5
251.06976	4.3
251.10667	2.6
252.07648	2.4
253.08459	2.3
257.05948	5.3
259.07471	2.4
261.09064	20.9
261.54581	1.4
262.06165	4.3
262.09378	3.4
263.07065	9.8
264.07843	13.6
265.08603	3.3
267.10223	4.1
269.07974	2.5
270.08777	1.6
274.06146	8.0
275.07001	11.0
276.07642	3.8
277.08554	15.7
278.06290	1.4
278.09134	6.6
279.10208	14.9
280.07458	1.6
281.08069	2.3
283.09695	2.0
284.10345	2.0
289.08566	27.2
290.09174	5.9
291.06552	3.3
291.09781	1.5
292.07150	3.9
293.07877	1.8
293.11661	2.4
294.08777	6.7
295.09637	4.5
306.08780	6.6
307.09628	55.6
308.10159	6.6
309.07697	2.2
309.11093	12.4
311.12698	2.1
321.11188	37.5
322.11566	3.2
325.10272	2.2
327.12280	19.6
339.12238	24.0
340.12564	4.5
357.13065	16.6
379.64139	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	356.1491
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
56.05030	0.7
58.06600	100.0
59.06939	0.7
65.04493	0.2
70.06591	0.6
70.54845	0.5
70.55231	0.4
70.97250	0.2
71.70736	0.2
75.85580	0.2
82.79556	0.2
84.08176	0.4
85.02912	0.3
86.09687	0.3
91.05792	0.4
94.28454	0.2
98.21362	0.3
98.97494	0.3
100.25497	0.2
103.20567	0.2
117.03310	0.2
125.97811	0.2
135.04459	0.4
137.05971	1.4
145.02872	0.3
147.04303	0.2
163.03903	1.9
164.04214	1.4
181.05005	0.2
194.05321	0.3
194.08223	0.2
198.35860	0.2
227.07019	0.5
251.07033	0.6
253.08601	0.3
268.07321	0.4
279.06573	0.5
281.08029	0.5
285.10721	0.2
292.26532	0.2
295.04761	0.3
311.09134	4.0
312.09222	0.2
313.10794	0.8
319.53674	0.2
343.21158	0.2
356.14914	33.0
357.15039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06536	4.7
55.05498	14.5
57.07066	34.7
58.06581	19.3
67.05501	100.0
68.05821	8.1
69.07061	22.3
69.61018	50.2
71.04971	7.0
71.08626	20.0
79.05474	11.9
81.07037	38.6
83.08604	15.1
85.06530	20.1
85.10180	15.7
89.05992	6.9
91.05473	18.6
93.07045	18.1
95.04962	53.6
95.08610	43.6
97.10188	10.1
100.07577	8.8
105.07014	17.2
107.08596	17.8
109.10141	27.6
113.05989	25.7
119.08588	34.6
121.10155	9.8
123.11657	7.6
131.07025	18.4
131.08574	8.6
133.10126	6.4
135.08076	6.3
135.11726	31.5
137.09651	6.7
145.10100	15.0
157.10036	6.4
159.11736	11.5
169.15891	24.5
192.59253	5.3
275.27191	8.2
285.25827	14.1
292.38745	6.1
303.26810	20.7
307.43381	5.7
356.25159	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	356.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23763	1.0
54.03462	1.0
58.06597	31.7
69.78401	4.5
72.04513	1.7
79.27610	1.0
97.06523	1.8
98.20817	1.5
100.38141	1.0
105.07063	1.0
120.09843	1.0
133.06577	1.0
137.05948	6.8
149.05988	1.3
165.06981	1.9
167.07008	1.2
172.95282	1.2
176.06242	1.7
179.08495	1.2
189.06999	3.6
190.07736	2.3
191.08534	3.2
193.06537	1.2
204.05670	3.7
204.08063	3.1
205.06407	1.7
206.07195	2.1
207.08023	3.4
208.08815	1.6
209.09569	1.4
211.07645	1.8
219.08040	49.7
220.08446	2.4
221.06061	4.9
222.06679	1.9
224.08287	2.7
225.09044	2.5
232.07562	2.2
233.05939	4.4
233.08134	1.6
234.06697	1.2
235.07457	2.4
236.04750	1.9
236.08397	5.5
237.05423	2.4
237.09132	13.6
239.06976	2.1
247.07539	35.0
248.08337	5.8
249.05557	5.4
249.09021	3.2
251.07036	2.4
252.07780	3.7
253.08543	4.2
254.09253	1.7
263.07062	1.4
264.07758	14.4
264.10468	3.5
265.08578	18.2
266.09155	1.9
267.06665	1.6
267.10129	5.3
279.10147	100.0
280.10852	22.6
281.08017	13.9
281.11517	7.1
296.10272	7.3
296.13016	33.2
297.07712	1.2
306.11194	3.6
311.09091	8.5
311.12738	10.3
312.13165	1.7
312.16373	1.2
324.12314	10.0
339.12466	1.6
356.11746	1.2
356.15323	12.8
357.13391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53976	0.8
58.06593	3.3
65.94659	0.7
70.17909	3.3
105.15932	0.8
109.66717	0.8
166.33121	0.6
178.07797	0.9
205.06451	1.5
207.08017	6.4
213.52945	0.7
219.08046	1.7
222.06738	1.6
223.07466	3.7
225.05460	1.2
225.09088	1.1
233.06007	2.4
235.07532	12.1
237.05574	1.3
237.09061	1.4
238.06267	1.9
247.07507	2.7
249.05446	4.8
249.09129	1.2
250.06377	4.1
250.09966	1.2
251.07039	5.8
253.08554	0.9
260.49802	0.7
261.05463	2.7
262.06143	2.0
263.06995	9.3
264.07693	1.0
265.08609	9.8
266.05695	2.1
266.09103	1.4
275.07007	1.5
276.07932	1.4
277.04953	7.8
277.08533	4.9
278.05902	0.7
278.09225	2.1
279.06503	6.1
279.09351	1.0
280.07443	1.3
281.08112	4.9
291.06467	3.2
292.07428	3.5
293.08066	36.7
294.05273	1.7
294.08786	3.0
295.05896	1.1
307.09631	3.7
308.10400	74.8
309.07584	33.3
309.10843	5.3
310.08066	1.2
324.09900	43.4
325.10172	2.5
339.12250	100.0
340.12527	6.1
356.15216	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	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01862	1.5
56.96565	14.2
57.03421	3.1
58.06590	2.0
61.02905	3.0
68.05032	0.9
69.03439	8.8
70.06588	3.6
70.30000	2.3
70.30394	1.9
70.98117	1.0
71.04983	2.1
72.08144	1.0
72.39999	0.8
73.02901	3.5
73.04743	2.9
73.08485	0.8
79.05476	3.1
81.03405	3.2
84.08121	3.3
84.96038	2.2
85.02907	16.3
86.09715	1.5
87.04435	2.8
91.05367	2.5
91.05781	7.0
93.07017	1.5
94.06625	0.9
95.04949	1.4
97.02903	10.0
98.97587	11.7
99.04433	1.6
102.05447	1.0
103.05450	2.8
105.07014	5.1
107.04923	1.4
109.02863	2.5
110.07155	3.0
110.97538	1.1
112.05084	6.8
116.98615	8.1
117.05758	10.6
119.04930	1.9
120.08111	2.4
121.06385	0.8
122.06067	1.5
127.03896	5.1
128.98625	2.5
130.06505	2.1
131.00182	1.4
132.08093	18.0
133.05226	5.1
134.87193	0.9
134.99664	4.2
135.04372	2.3
136.04744	1.2
136.06192	1.9
136.07570	1.2
136.17676	0.9
137.05946	2.3
137.08357	2.7
138.05487	1.8
139.36411	0.9
143.00124	1.5
145.04985	2.1
146.99667	2.7
147.03345	0.9
147.04396	3.5
147.06752	2.7
148.07573	44.9
150.05498	7.3
150.06635	2.4
150.09149	1.4
158.99680	2.6
160.07593	6.6
161.01189	1.9
163.03902	5.1
164.04184	4.2
164.07108	1.8
165.00699	1.0
166.08626	9.5
168.05411	1.8
170.99648	1.3
174.04384	1.2
176.07074	47.7
177.00696	3.4
177.05882	2.1
177.07408	1.1
178.05005	1.0
186.04372	2.0
188.02290	1.7
189.00639	1.4
194.08136	43.2
197.01239	1.3
201.00659	1.5
204.05400	1.8
206.09364	4.4
213.04373	1.3
215.02316	1.2
219.01767	3.1
224.10295	9.6
233.03259	1.6
237.02757	4.6
238.03827	1.1
242.03328	2.3
245.03528	0.9
256.04892	2.6
260.04431	4.4
266.09219	1.9
274.06168	1.5
280.07132	1.0
284.04504	3.0
286.00803	1.6
287.00775	1.3
321.89743	1.1
338.12354	1.3
356.06717	3.9
356.13394	100.0
357.07010	1.7
357.13577	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	356.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
58.06594	4.3
58.82757	0.8
62.85699	0.8
63.65673	0.8
67.05530	0.8
69.07048	2.9
69.25647	0.9
69.51455	7.7
72.04496	1.8
74.47395	0.9
79.05043	0.8
79.05474	2.9
91.05483	0.9
95.04987	1.2
97.06524	15.4
98.06837	6.6
107.05010	0.8
129.61197	0.8
137.05943	2.6
160.24951	0.8
165.07031	0.9
167.08516	1.2
176.06236	2.5
179.08482	1.0
189.07056	2.9
190.07799	1.9
191.08543	3.2
193.06462	1.1
194.07391	1.1
195.08025	1.5
196.08440	1.2
204.05673	2.6
204.08049	2.4
205.06485	2.5
207.08083	1.7
208.08760	2.3
209.09396	1.1
214.09486	1.1
215.10588	1.0
219.08029	49.1
220.08669	2.5
221.05952	5.9
221.09680	1.7
222.06744	1.1
222.45399	0.9
223.07494	2.1
224.08154	1.1
225.09081	2.4
232.07616	2.1
233.06006	4.5
234.06743	1.7
235.07520	3.0
236.08290	4.5
237.09074	10.4
241.08424	1.2
242.08977	1.0
247.07541	33.7
248.08237	8.6
249.05563	5.6
249.07841	1.6
249.09142	1.5
251.07097	2.1
251.10719	1.9
252.07706	1.3
253.08601	5.1
260.09921	1.2
263.06885	1.3
264.07782	13.9
264.10266	2.7
265.08557	16.6
265.11078	0.7
266.05865	1.0
266.09009	2.1
267.10056	4.6
269.07968	1.5
279.10141	100.0
280.10852	19.6
281.08035	11.5
281.11386	5.3
282.11716	1.0
283.09656	1.9
292.09518	1.6
296.10248	7.1
296.13022	29.5
297.13232	1.4
304.66455	1.0
306.11194	3.4
311.12698	10.5
312.13065	2.1
312.16458	1.0
314.14581	1.6
324.12253	8.8
339.12076	1.1
341.12204	1.6
356.11154	2.4
356.15390	11.9
356.18948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91031	3.0
55.05512	33.7
57.03421	14.2
57.07067	13.9
60.33966	3.4
67.05185	4.8
67.05510	68.2
69.07071	44.2
70.34131	7.9
70.34533	12.1
71.04976	4.6
71.08618	4.3
77.43413	3.2
79.05492	25.0
81.07059	100.0
83.08614	31.5
85.10179	5.0
91.05439	21.4
93.07043	36.6
95.08610	86.4
97.06512	9.3
97.10174	21.3
97.60875	3.5
105.07026	16.8
107.08612	20.9
109.10156	47.9
111.11716	10.0
119.08582	17.7
121.10149	32.2
123.11711	24.7
125.13220	5.0
129.05449	3.7
133.10120	18.7
135.11702	18.1
137.13255	10.6
147.11700	19.3
149.13293	19.7
151.14796	6.9
161.13255	16.1
163.14824	16.9
165.16420	8.6
175.14821	12.4
177.16354	3.9
179.17957	3.7
181.15884	4.1
189.16365	6.2
237.37437	3.6
245.22650	53.4
263.23727	63.5
279.72913	3.3
337.27515	26.1
355.28262	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01866	3.1
55.05513	31.3
57.03443	11.8
57.07075	16.1
67.05161	3.9
67.05502	70.2
69.07069	50.8
70.64079	2.0
71.04977	3.9
71.08630	5.3
76.32256	1.8
79.05489	22.7
81.07053	100.0
83.04974	3.7
83.08615	33.7
85.06544	4.2
85.10197	2.7
91.05461	18.0
93.07048	29.6
95.08604	79.1
97.06509	9.6
97.10171	23.7
99.08073	3.7
103.03931	2.4
105.07027	15.8
107.08588	22.6
109.10157	39.1
111.08080	4.9
111.11723	7.3
119.08571	18.6
121.10137	33.1
123.11691	25.5
125.09669	3.4
125.13263	4.4
129.05458	3.7
131.08537	2.9
133.10126	17.3
135.11703	18.0
137.09685	3.4
137.13237	9.4
141.12791	3.7
147.11681	17.7
149.13284	15.4
151.14813	7.7
153.12737	2.5
161.13271	13.6
163.14816	17.3
165.16377	7.0
175.14757	14.4
177.16336	3.2
179.17955	3.2
181.15842	2.7
189.16374	8.0
190.51086	1.9
245.20302	4.0
245.22668	52.1
246.22943	2.4
247.24208	2.3
263.23694	50.4
264.24124	2.6
265.25012	2.7
337.27371	29.9
338.27783	2.0
355.28568	17.8
358.94373	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03940	2.5
55.01868	2.5
55.05507	38.4
57.03424	9.9
57.07071	12.9
58.06588	6.2
67.05501	77.3
69.06715	4.5
69.07066	48.7
71.04964	2.9
71.08627	4.8
71.53826	4.5
79.05489	31.6
81.06571	4.8
81.07052	100.0
83.04975	3.2
83.08617	31.1
85.06498	3.9
85.10195	2.9
87.32008	2.1
88.07626	5.5
91.05436	21.6
93.07043	35.4
95.04964	4.6
95.08604	79.7
95.78132	2.1
97.06517	11.5
97.10165	18.8
99.08077	3.2
105.07039	18.5
107.08594	20.4
109.10145	47.4
111.08052	4.8
111.11717	5.5
117.07100	2.5
119.08562	18.3
121.10142	26.5
123.08047	2.7
123.11729	20.3
123.74866	2.3
125.09618	2.4
131.08548	3.5
133.10123	21.6
135.11673	12.5
137.09671	2.2
137.13243	12.8
141.12758	3.1
145.10136	3.1
147.11664	15.8
148.75723	2.6
149.13243	15.5
151.11165	2.8
151.14821	6.1
153.12682	2.8
155.08574	2.3
155.09904	1.9
161.13237	14.3
163.14803	14.4
165.12717	3.6
165.16391	6.7
175.14792	12.3
177.16324	2.8
179.17972	4.1
180.51617	2.4
189.16383	3.6
193.15721	2.2
193.99222	2.2
203.18040	2.5
245.22650	40.6
263.23700	43.2
264.24109	2.2
337.27365	24.8
338.27573	2.9
355.15219	3.4
355.28583	5.3
356.35303	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.97132	1.8
53.03954	1.8
55.01854	2.4
55.05510	37.5
57.03433	12.0
57.07072	13.9
58.06590	2.5
65.03937	1.8
67.05498	80.8
69.06709	3.4
69.07063	52.7
69.96517	9.0
71.04990	4.0
71.08620	6.6
79.05484	31.2
80.70270	1.7
81.07050	100.0
82.07368	2.5
82.62495	2.0
83.04987	2.5
83.08609	33.5
85.06527	3.7
85.10186	3.1
91.05452	19.8
93.07034	28.3
94.52892	1.9
95.04956	2.9
95.08595	87.0
96.08939	2.2
97.06539	9.1
97.10161	24.8
99.08079	3.6
105.07007	12.8
106.28192	1.8
106.61098	2.0
107.08594	24.2
109.06505	2.3
109.10143	42.2
111.08109	4.0
111.11701	8.6
113.09615	3.7
119.08572	16.3
121.10124	29.7
123.11704	22.4
125.09599	3.1
127.11174	2.3
129.05479	3.0
131.08578	2.9
133.10106	19.0
135.11676	15.1
137.09589	2.5
137.13240	13.0
146.77786	1.9
147.11679	11.9
149.13243	17.0
151.11143	3.5
151.14795	6.6
161.13231	17.4
163.14827	16.4
165.12721	2.4
165.16383	8.2
175.14822	11.3
175.48178	1.7
177.16354	3.3
179.17979	5.0
183.11629	1.7
189.16360	7.5
245.22623	49.5
246.22791	2.3
263.23672	47.3
264.24020	2.0
273.87875	1.9
337.27377	26.8
355.28403	7.2
355.33997	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	355.2629
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
53.03933	1.4
55.01858	1.4
55.05508	10.9
57.03395	1.2
57.07067	6.3
65.03908	1.5
67.05500	13.3
67.32567	1.0
69.03413	1.4
69.07058	19.4
70.02967	6.0
71.04996	6.1
71.08626	2.4
79.05489	13.5
81.06585	1.3
81.07055	28.6
83.04971	3.2
83.08604	6.6
85.06541	23.0
91.05472	18.4
93.07041	30.5
95.04958	3.6
95.08602	32.7
97.06509	3.9
97.10151	2.7
99.04443	6.9
99.08101	2.9
105.07022	45.7
107.08588	30.4
109.06503	4.4
109.10144	16.2
111.08043	3.4
113.05949	1.4
113.09679	5.6
115.05415	2.2
117.07025	10.0
119.08569	37.6
120.08905	1.2
121.06514	2.1
121.10124	23.4
123.08018	2.8
123.11717	5.9
125.06029	1.3
125.09614	4.4
128.06209	2.2
129.07013	7.3
130.07838	2.0
131.08566	22.8
133.10121	23.7
135.04390	1.0
135.08034	3.7
135.11685	6.9
137.09616	3.2
139.07518	1.7
139.11137	2.8
141.06940	3.4
142.07741	5.0
143.08554	18.8
144.09317	1.5
145.06499	2.7
145.10115	30.4
147.08017	2.4
147.11687	20.8
149.09673	3.5
149.13271	6.8
151.11218	1.6
154.07762	2.6
155.08565	13.7
156.09346	3.0
157.10107	24.2
159.08047	3.6
159.11682	29.5
161.09579	4.5
161.13251	30.8
163.11171	2.0
163.14900	5.7
165.06931	2.0
166.07802	1.4
167.08540	3.7
168.09372	2.7
169.10123	19.3
170.10898	3.0
171.08043	1.1
171.11685	20.2
173.09627	5.6
173.13246	16.6
173.72797	1.2
175.11208	5.4
175.14777	8.8
177.12741	3.7
179.08530	2.9
179.10606	1.1
180.09377	1.7
181.10115	10.2
182.10878	4.1
183.11684	18.8
184.12537	1.4
185.09581	3.0
185.13263	9.2
187.11188	3.9
187.14809	12.5
189.12732	4.1
189.16380	12.7
191.10628	1.5
192.09360	1.4
193.10126	4.3
193.12068	1.1
194.10828	2.1
195.11691	12.7
196.12418	5.3
197.13251	18.6
198.13991	1.5
199.11134	3.3
199.14801	12.5
201.12724	5.2
201.16351	12.1
203.14339	2.5
203.17955	1.5
206.11081	1.7
207.11690	5.1
208.12418	2.7
209.13251	12.7
210.13824	2.3
211.14775	16.8
213.12766	2.3
213.16449	7.7
215.14378	6.6
215.17879	2.7
216.15089	1.9
217.15887	2.1
221.13248	7.4
222.13930	1.7
223.14810	15.9
224.15479	1.7
225.12704	1.6
225.16443	8.9
227.14278	6.8
227.17960	8.3
229.15834	9.5
229.19435	2.2
235.14828	3.9
236.15489	1.5
237.16360	14.5
238.16722	1.3
239.14328	1.6
239.17926	14.1
241.15855	5.1
241.19493	5.2
242.16519	1.4
243.17494	3.3
245.15254	1.5
249.16412	4.1
251.18059	5.8
252.18526	1.6
253.15810	1.3
253.19536	7.1
255.17390	5.3
255.21007	1.9
257.18948	2.0
263.17914	5.1
266.20392	1.3
267.17465	3.6
267.21057	5.9
269.18997	2.7
269.22733	2.1
271.20422	1.7
273.18439	2.7
277.19550	5.2
279.21078	17.3
281.18997	9.1
285.18665	1.9
285.22113	2.7
286.19073	1.8
287.20016	1.5
290.89902	1.3
293.22354	2.0
294.19785	1.2
295.20746	5.4
297.22110	19.9
299.19983	4.7
309.22360	2.3
309.25665	9.7
311.23627	3.8
311.27182	2.5
313.21667	1.8
319.24295	8.4
327.26834	4.5
337.25253	46.0
338.25595	2.5
355.26288	100.0
356.26572	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	355.2632
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
53.03936	1.9
55.01860	1.6
55.05294	1.3
55.05511	12.0
57.07069	4.2
58.06591	1.9
58.88891	0.9
65.03930	2.0
65.87894	1.2
67.05506	14.6
69.07066	35.4
71.04990	5.5
71.64099	1.4
77.03915	1.5
79.05060	1.3
79.05491	16.8
81.07060	46.0
83.04990	1.2
83.08613	7.2
85.06544	16.9
87.27667	1.2
90.35325	1.1
91.05466	22.6
91.29792	1.0
93.07039	40.5
95.04955	3.7
95.08605	44.4
97.06528	6.9
99.04456	6.7
99.08086	1.9
103.05498	1.3
105.07030	62.4
107.08588	41.3
109.06510	3.2
109.10160	22.3
111.08087	3.9
112.61888	1.1
113.05994	1.4
113.09636	2.9
115.05473	1.2
117.07027	9.9
119.08582	36.4
121.06504	4.0
121.10136	25.3
123.08073	4.0
123.11702	7.6
125.05997	2.1
125.09615	1.7
128.06239	4.6
129.06995	8.3
130.07829	2.0
131.07588	1.6
131.08565	29.1
133.10141	23.0
135.08075	2.0
135.11687	13.8
137.09686	2.6
137.13220	2.1
139.07547	4.3
141.06955	5.7
142.07776	7.2
143.08568	22.0
144.09305	2.6
145.06477	1.6
145.10120	41.9
147.08026	3.5
147.11685	37.8
148.12144	1.2
149.09641	2.6
149.13272	15.5
151.11148	2.1
153.07039	1.8
154.07748	1.3
155.08533	14.3
156.09352	4.3
157.10141	27.5
158.10783	1.1
159.08130	1.7
159.11694	37.0
160.10228	1.0
160.12383	1.7
161.09648	2.9
161.13257	22.0
162.13618	1.7
163.11180	1.8
163.14859	6.5
165.07050	1.3
167.08582	2.6
168.09337	2.5
169.10136	12.9
170.10847	2.0
171.08122	1.8
171.11684	21.2
172.12267	1.6
173.05846	1.1
173.09621	3.5
173.13258	24.4
175.11211	12.7
175.14807	8.5
177.09190	1.1
177.12794	2.4
177.16399	1.6
179.08572	2.2
179.14255	1.2
180.09370	1.3
181.10098	7.7
182.10905	2.3
183.11682	16.6
184.12354	1.6
185.13245	16.3
186.13835	1.4
187.11188	2.7
187.14816	17.7
189.12788	2.6
189.16414	7.6
191.14128	1.4
193.10106	3.2
193.12230	1.0
194.10980	1.4
195.11711	7.8
196.12440	2.6
197.13260	19.7
198.13721	1.2
199.11168	1.9
199.14815	16.0
200.15567	4.4
201.12747	3.9
201.16388	13.8
202.16852	1.1
203.10780	1.2
203.14343	3.5
203.17995	2.8
205.12314	1.8
207.11650	3.2
207.13814	3.4
208.12437	2.1
209.13277	10.1
210.13922	1.5
211.14801	17.4
213.12794	3.1
213.16357	10.2
215.14296	4.7
215.17912	3.6
217.12262	1.4
217.15804	2.2
219.13763	2.5
221.13283	3.8
222.13872	1.3
223.14771	9.5
225.12717	2.6
225.16397	10.0
227.14352	2.4
227.17944	17.2
229.15866	4.7
229.19469	1.9
231.13826	1.7
235.14944	2.6
237.16336	6.2
239.14336	2.5
239.17979	7.1
241.15953	2.6
241.19458	7.6
242.20317	24.6
243.13760	2.4
243.17433	1.6
243.20895	2.7
245.15385	2.7
249.16444	3.8
251.17969	4.4
252.18684	1.7
253.15695	1.9
253.19516	15.4
255.17493	1.8
255.21019	3.4
257.15192	1.6
259.16983	1.4
263.17938	4.5
266.20316	1.2
267.17572	1.5
267.21060	7.4
269.19064	3.7
269.22766	2.9
271.16943	1.2
271.20578	2.1
277.19513	2.6
279.21130	8.7
281.18967	4.1
282.19464	1.0
285.18393	1.6
286.19342	1.3
287.20047	2.3
293.22729	2.9
295.20490	4.4
295.24033	2.1
297.22119	7.5
299.20047	8.0
309.25739	23.8
311.23553	3.5
311.27328	5.2
313.21561	2.5
313.25104	1.1
319.24176	6.7
327.26932	5.2
337.25250	37.4
338.25555	3.2
355.26318	100.0
356.26767	8.0
356.35342	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05302	1.3
55.05510	15.2
57.07062	4.0
67.05499	16.4
69.07064	35.3
69.51766	12.6
71.04981	6.2
71.08618	3.1
79.05493	14.5
81.07055	45.5
83.04970	2.6
83.08620	10.3
85.06530	6.9
85.43290	1.1
91.04942	2.3
91.05464	23.9
93.06456	2.3
93.07038	43.4
95.04938	5.2
95.08604	39.2
97.06528	3.8
97.10170	5.9
99.04437	4.2
99.08077	1.8
102.94431	1.4
105.07027	69.9
106.07394	2.3
107.04966	1.7
107.08586	42.8
109.06516	4.6
109.10150	17.8
111.08095	3.6
113.09628	3.4
117.07016	6.4
119.04937	1.3
119.08575	58.6
120.08885	1.5
121.06499	4.7
121.10136	26.6
123.08047	5.1
123.11720	5.9
125.09587	2.3
128.06216	3.2
129.06969	7.5
130.07784	2.1
131.08560	19.9
133.06490	2.1
133.10115	29.5
135.08025	4.5
135.11655	9.0
137.05913	1.7
137.09558	3.4
137.13202	2.2
139.07532	5.2
139.11125	3.8
141.06929	2.3
142.07735	5.5
143.08562	17.1
144.09322	2.2
145.10121	30.9
146.10724	1.4
147.08029	3.0
147.11671	21.1
149.09607	4.0
149.13249	16.0
151.11211	1.9
155.08531	10.8
156.09328	2.9
157.10123	20.8
158.10931	1.8
159.08104	3.2
159.11691	21.8
161.08380	1.4
161.09598	6.9
161.13252	62.8
163.11237	2.8
163.14793	8.3
165.06972	1.7
167.08557	3.5
168.09274	1.5
169.10109	13.1
170.10822	2.3
171.07982	2.0
171.11684	16.8
173.09602	4.5
173.13261	15.2
175.11223	6.2
175.14822	11.6
177.09068	1.6
177.12680	4.3
179.08592	2.1
180.09219	1.7
181.10104	5.2
182.10901	2.8
183.11668	11.2
184.12440	2.0
185.13277	11.3
187.11063	3.3
187.14761	10.6
189.12730	10.9
189.16379	12.0
191.10672	1.7
191.14244	1.6
193.10098	4.3
193.12135	1.8
194.10936	2.4
195.11746	7.5
195.13361	1.8
197.13269	12.4
198.14067	1.6
199.11200	2.4
199.14815	10.2
201.12689	2.2
201.16316	6.0
203.14163	5.9
205.12152	1.9
207.11815	3.2
207.13826	3.4
208.12480	2.9
209.13243	8.8
211.11212	1.4
211.14818	12.5
213.12714	2.0
213.16351	5.4
215.14270	3.5
215.17905	1.9
217.15891	1.9
221.13217	4.0
223.14873	9.0
225.12761	2.0
225.16350	7.0
227.14207	3.1
227.18004	8.4
229.06738	1.3
229.15836	5.5
231.13777	2.0
235.14803	1.7
236.15533	2.3
237.16393	4.9
239.14241	2.3
239.17963	5.4
241.19533	7.0
243.17529	1.4
245.15373	2.1
249.16348	2.0
251.17973	2.9
253.19484	8.1
255.17506	1.8
255.21115	2.3
257.19095	1.7
259.16891	2.5
263.17889	4.0
264.18628	1.5
265.19632	1.3
267.17499	1.6
267.20993	3.6
269.18896	2.1
269.22717	1.5
271.16977	1.5
277.19650	2.3
279.21091	16.0
281.18951	6.5
285.18625	3.0
285.21967	1.8
286.19299	1.7
293.22772	1.3
295.20563	2.0
297.22177	8.3
299.19983	3.9
309.25653	13.5
311.23666	2.1
319.24228	9.3
327.26889	2.3
337.25256	38.0
338.25546	2.7
355.26279	100.0
356.26587	7.4
356.35248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83238	1.1
52.58094	1.0
53.03939	3.2
55.05506	9.5
57.07067	2.8
58.06577	1.1
59.04990	1.5
67.05505	17.6
69.07066	39.6
70.00984	5.4
71.04997	7.8
71.08598	1.6
71.70224	1.0
77.80357	1.1
79.05486	15.9
80.34171	1.2
81.07055	42.3
82.07367	1.4
83.04971	1.3
83.08616	6.1
85.06543	12.1
91.05465	20.4
93.07039	36.7
95.04939	2.7
95.08605	42.3
97.06568	5.5
97.07050	1.2
97.10147	2.4
99.04453	5.4
99.08099	1.6
103.05470	1.5
105.07024	59.3
106.07360	1.2
107.04945	1.4
107.08588	39.7
108.08896	1.6
109.06508	3.2
109.09447	1.7
109.10149	22.2
110.10411	1.0
111.08057	3.7
113.09624	3.3
115.05416	1.4
117.07027	9.8
119.08575	35.3
121.06532	2.2
121.10143	25.0
123.08046	4.0
123.11700	7.7
125.05934	1.8
125.09637	2.6
128.06215	3.3
129.06989	9.4
130.07784	2.8
131.08565	25.9
133.06465	1.3
133.10127	25.9
135.08018	3.3
135.11682	9.0
137.09581	3.3
137.13289	1.2
139.07553	4.4
141.06998	3.4
142.07759	8.5
143.08543	20.5
144.09393	2.7
145.06483	2.0
145.10118	43.3
146.10730	1.2
147.08041	2.4
147.11679	35.5
149.09557	1.3
149.13252	14.8
151.07533	1.5
151.11156	1.7
153.07031	1.7
155.08543	11.9
156.09248	2.2
157.10123	31.3
159.08055	3.6
159.11693	35.3
160.12180	1.4
161.09621	2.5
161.13246	23.0
163.11168	1.8
163.14818	9.3
165.09210	1.5
167.08539	2.3
168.09360	3.1
169.10110	13.1
170.10832	1.8
171.11690	17.6
172.12363	1.7
173.09599	2.5
173.13245	19.1
175.11227	12.2
175.14844	8.1
177.09180	1.3
177.12747	3.0
179.14330	1.6
180.09209	1.3
181.10121	7.2
182.10919	2.7
183.11674	16.3
184.12338	1.9
185.13234	15.0
186.14003	2.6
187.11139	2.9
187.14792	19.5
189.12753	3.8
189.16425	5.9
191.10678	2.3
191.14287	3.3
193.10202	3.4
193.12187	2.2
195.11700	8.1
196.12416	3.3
197.13260	19.1
198.13811	1.7
199.11176	1.7
199.14833	14.5
200.15538	3.3
201.12802	3.2
201.16417	14.4
203.10674	1.7
203.14351	3.8
203.17990	2.5
205.12096	1.7
207.11688	3.4
207.13814	3.8
208.12361	1.8
209.13333	7.2
210.13898	1.9
211.14815	17.1
212.15378	1.7
213.12733	2.4
213.16321	11.9
214.17072	1.7
215.14394	5.5
215.17921	3.9
217.12230	2.3
217.15874	1.5
219.13786	2.3
221.13249	4.7
222.13922	1.8
223.14801	9.8
224.15189	1.8
225.12726	1.5
225.16376	9.4
227.14362	2.6
227.17914	17.3
228.18298	1.8
229.15842	5.7
229.19527	2.4
231.13757	1.9
231.17430	1.5
231.49681	1.2
235.14833	1.7
237.16350	8.1
239.14301	2.2
239.17950	8.7
241.15842	2.6
241.19417	9.0
242.20308	23.7
243.17435	3.4
243.20818	2.7
245.15427	2.4
249.16432	3.5
251.17917	4.6
252.18681	1.6
253.19521	15.2
255.17352	2.7
255.21078	4.9
257.15463	1.7
257.19049	1.9
263.18021	4.6
267.17419	3.2
267.21017	6.1
269.18948	2.0
269.22552	2.8
271.20502	1.4
273.18414	1.5
277.19583	3.8
279.21048	11.4
280.21515	1.4
281.19022	4.7
285.18448	3.8
285.21902	1.9
287.20071	2.4
293.22531	2.1
295.20529	4.9
295.23743	1.7
297.22089	7.3
299.20108	7.0
309.25708	24.6
310.26309	1.5
311.23926	2.1
311.27332	6.4
313.21707	2.1
319.24194	7.9
327.26901	5.2
337.25250	35.5
338.25461	2.5
350.57986	1.1
355.26303	100.0
356.26727	7.3
356.35309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87066	8.1
53.03912	8.5
55.01868	9.8
55.05483	19.2
58.06594	30.7
67.05489	33.0
69.03412	10.7
69.07053	31.2
69.87025	68.9
70.06550	9.3
72.35480	8.9
73.24731	10.1
74.11205	9.6
79.05484	38.8
81.03393	18.2
81.07053	46.7
81.46348	11.6
83.04984	18.6
87.57590	9.4
91.05384	15.6
91.05863	16.0
93.07020	30.5
95.08578	27.2
97.06525	100.0
97.10209	10.9
98.20795	12.3
105.07027	33.0
107.08572	14.1
109.10124	18.6
119.08571	23.4
121.10143	9.8
129.06972	14.8
133.06430	12.2
143.08549	12.3
145.10181	15.1
147.08087	12.6
147.11659	10.4
163.03880	16.7
163.14862	12.6
167.07089	17.8
173.06058	9.7
194.09404	28.9
213.05394	11.7
252.42097	9.6
285.00848	15.0
308.17078	9.4
311.12717	22.7
355.15280	46.3
355.22870	13.4
356.15448	10.3
356.27939	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	Alisiaquinol
Peak:m/z	Relative Intensity
53.03934	2.6
55.01881	4.6
55.05491	2.5
57.03419	3.4
67.05500	4.2
69.03428	1.7
69.07062	14.5
69.99191	5.2
71.01343	1.6
79.05492	17.0
81.03413	1.5
81.07048	0.9
83.04995	4.6
83.41689	0.9
85.02924	1.2
91.05469	2.8
94.49157	0.9
95.04964	6.8
97.06527	100.0
98.06859	1.6
98.72214	0.8
103.05469	2.9
105.07028	12.3
107.04945	3.6
109.02878	1.2
115.05454	7.5
118.04163	1.6
121.06483	1.5
121.10079	1.0
123.04457	1.3
127.58230	0.8
128.06223	3.1
129.07002	3.8
131.04906	2.7
131.08591	1.4
133.06482	13.0
135.04294	1.0
137.05966	1.2
141.06987	6.9
143.04915	1.1
143.08554	1.8
145.06483	2.8
147.04402	2.2
147.08105	1.1
149.05984	1.4
152.06218	1.2
153.07002	1.9
154.07750	1.4
155.08537	1.7
157.06488	3.1
158.07275	3.5
159.07991	1.6
160.05144	1.4
160.08833	1.5
161.05981	23.7
163.03889	4.7
165.07031	1.6
165.09096	1.2
167.07056	4.3
167.08549	4.0
169.06473	7.7
169.10135	1.3
170.07256	2.0
171.04391	1.8
171.08055	2.3
173.06007	3.5
173.09644	5.0
174.06808	2.0
175.03891	1.8
175.07462	5.0
177.05452	1.3
178.06226	3.9
181.06435	1.4
181.08554	2.1
182.07240	1.1
183.08063	1.9
185.05989	3.4
185.09607	2.2
186.06757	12.3
187.03947	1.7
187.07501	4.3
189.05432	2.1
189.09093	8.8
191.08461	1.4
193.08629	8.5
194.09355	7.0
195.08064	5.5
197.05978	2.6
199.07541	9.3
201.05449	3.2
201.09099	19.3
201.10941	1.2
203.07024	3.4
208.08832	1.1
211.07559	5.6
212.08325	1.4
213.05457	1.5
213.09105	8.2
215.07002	3.9
215.10660	2.7
217.08640	2.3
223.07585	2.7
225.09041	1.4
227.07022	2.4
227.10716	1.6
229.04996	2.0
229.08624	2.1
230.09514	1.4
231.10175	2.6
233.09697	1.6
235.11243	1.1
236.08437	1.1
237.09213	1.3
239.07014	1.7
240.07703	1.0
240.11411	1.0
241.08578	10.2
241.12206	8.4
243.06505	1.3
248.08414	1.4
251.07054	2.1
253.08524	1.1
255.10139	2.1
257.11703	3.2
258.08896	2.0
259.09644	10.8
265.12204	1.9
267.13864	1.3
269.08035	3.0
269.11649	1.8
271.09647	3.4
273.11075	1.4
279.10034	1.2
283.13312	2.4
285.11191	2.1
285.14804	1.7
295.13394	1.6
299.12759	5.6
309.14838	1.9
311.12738	10.8
311.16455	4.1
313.10733	1.5
313.14267	7.4
327.15884	5.8
337.10782	1.8
337.14276	6.7
355.12067	2.4
355.15381	66.3
356.15729	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	355.1539
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
53.03930	0.7
55.01867	1.2
57.03422	0.6
58.06598	2.2
58.95656	0.4
60.16849	0.4
65.03928	0.4
67.05479	1.1
69.03408	1.1
69.07036	0.3
70.64720	1.2
78.04708	2.6
79.05492	2.4
81.03394	0.7
81.07034	1.3
85.02905	0.7
90.78391	0.3
91.05455	8.4
93.07052	1.1
95.04951	1.3
97.06542	0.8
103.05459	2.3
104.06232	1.7
105.03416	0.7
105.06380	0.6
105.07032	9.8
106.04146	1.3
107.04951	3.9
109.02850	0.7
109.06524	0.4
109.10164	0.4
114.40785	0.4
115.05445	9.3
116.75473	0.3
117.06213	0.5
117.07024	6.9
118.04147	0.7
119.04938	0.8
119.08578	8.2
121.06467	0.4
123.04429	5.5
124.05180	1.7
127.96242	0.4
128.06204	3.3
129.07016	5.9
130.04095	0.6
131.04945	2.5
131.52046	0.3
132.05693	6.5
133.06490	7.4
133.10155	0.8
134.03600	0.6
137.05946	1.5
141.06984	15.4
142.07321	0.5
143.06061	0.5
145.06473	3.3
146.07208	0.5
147.04393	0.8
147.08040	20.9
151.03897	1.0
152.04678	1.2
155.05951	0.8
157.06447	2.0
158.07275	1.6
159.08017	0.8
160.05188	4.8
161.04617	0.6
161.05975	11.6
161.09622	0.9
162.06424	0.5
163.07487	0.6
167.07037	53.5
168.07388	1.5
169.06483	17.6
170.07166	1.2
173.05901	0.7
173.09581	0.9
175.07542	100.0
176.04692	0.9
176.06601	0.4
176.07870	2.5
177.08968	0.5
185.09584	0.4
185.13197	0.4
186.05296	0.4
186.06671	1.8
187.07584	2.3
189.09082	4.3
191.07014	3.0
192.61223	0.5
193.08611	26.1
194.08963	0.8
195.07967	0.4
199.07506	0.4
201.05492	1.6
201.09114	8.1
203.08574	0.6
207.07884	0.5
207.10164	0.5
218.07373	0.5
219.08087	0.5
220.08794	0.5
225.70825	0.5
231.08086	1.1
234.06789	0.7
235.07437	0.5
241.12202	0.8
245.09708	0.4
247.07492	0.5
248.08223	0.8
249.08977	0.6
259.07556	1.1
262.09924	0.4
263.10513	1.0
265.08694	0.7
268.97821	0.5
277.08667	0.7
291.10175	1.3
293.08084	0.9
293.11670	0.4
294.08847	0.3
295.13211	0.6
297.92783	0.4
305.08264	0.5
309.11032	0.5
311.09366	0.6
311.12762	1.5
323.09088	0.7
323.12613	1.7
325.10538	0.8
337.10669	0.5
355.07950	1.1
355.12051	1.0
355.15387	20.3
356.15369	2.0
366.80322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
53.03930	2.8
55.01852	4.7
55.05489	1.7
57.03413	3.1
67.05511	7.0
68.15305	1.1
69.07062	14.0
69.54668	9.3
69.55080	2.4
71.01340	2.9
71.04981	2.1
79.05492	12.6
81.03407	3.3
81.07034	1.6
83.04969	4.9
85.78963	1.2
91.05460	3.0
94.04231	1.5
95.04940	7.3
97.06529	100.0
97.82677	1.2
98.06870	2.6
107.04946	2.8
115.05453	2.2
121.06473	1.5
122.03687	1.2
128.06221	3.4
129.06989	4.8
136.05159	1.5
137.05972	20.6
141.06998	3.0
143.08591	2.1
145.06448	3.5
149.05957	1.9
151.07539	16.7
155.08546	2.5
157.06487	4.8
158.07260	2.5
160.05162	3.1
161.05965	7.7
163.03874	3.0
163.07362	1.8
165.05521	1.2
165.07008	1.8
167.07112	1.4
167.08580	4.4
169.06526	3.0
170.07277	1.6
171.08038	2.6
172.08839	1.9
173.06021	4.1
173.09581	1.8
174.06761	4.7
174.62608	1.5
175.03906	2.0
175.07591	8.1
177.05450	2.7
179.07057	4.2
181.06432	2.3
183.08069	3.3
185.05983	3.0
185.09674	2.6
187.07545	5.5
188.08304	3.5
189.09114	11.9
193.08633	1.5
195.08035	6.7
196.08664	1.5
197.05870	2.6
197.09563	1.8
198.06770	3.2
199.07530	12.0
201.05472	1.5
201.09073	11.5
202.06047	1.3
203.07043	2.3
203.08792	1.5
203.10660	4.6
207.08032	1.9
209.09601	1.7
211.07539	5.4
212.04584	1.5
212.08255	2.7
213.05574	1.6
213.09090	11.5
214.06274	1.4
215.07007	3.3
215.10609	3.0
217.08614	5.0
217.32518	1.2
219.08066	2.8
221.09639	1.7
223.07561	2.1
225.09082	4.1
226.06265	3.0
227.07072	4.7
227.10672	1.6
229.05089	1.8
229.08675	2.4
231.08098	2.7
231.10179	7.5
233.09633	2.2
239.07045	4.2
240.07944	2.3
241.08589	16.5
241.12114	5.9
247.07547	3.7
248.08250	2.0
251.10768	1.4
253.08575	4.3
254.09248	6.4
255.06508	3.4
255.10104	2.0
257.11777	3.0
258.08862	3.1
259.09686	12.2
261.09146	2.7
262.09891	3.4
263.10416	1.9
264.07877	2.0
265.08600	1.9
265.12201	3.5
267.09555	2.1
267.13806	1.9
269.08041	7.2
270.08963	6.3
271.09689	2.0
271.90366	1.5
274.09833	1.9
275.10751	2.7
276.07654	1.6
279.10248	2.2
283.13297	1.9
284.10400	12.2
285.11249	13.9
285.14539	2.4
290.09491	2.5
291.10184	8.0
293.11758	5.1
295.13058	2.1
297.11292	5.2
299.12823	7.4
303.08646	1.7
304.70242	1.3
305.11719	9.4
306.12515	7.7
307.09665	3.5
307.13257	1.5
309.14728	3.1
310.12082	2.6
311.12805	10.1
311.16357	3.3
313.10855	2.9
313.14334	8.3
322.12067	4.4
325.14301	4.6
327.15930	8.2
337.14313	21.2
355.15396	72.8
356.15732	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	355.1537
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
57.03424	0.8
58.46117	0.8
79.05474	1.0
105.07016	0.9
109.06485	1.2
125.82156	0.8
130.07759	1.4
137.05962	2.5
141.90398	0.7
143.08516	1.3
145.10083	1.8
153.06978	1.3
156.98608	0.7
157.06500	1.1
158.07275	3.0
165.06995	2.4
167.07048	3.1
173.09586	5.4
179.08551	1.4
181.06462	2.0
181.10101	1.9
183.08080	1.5
185.05989	1.0
191.08551	3.2
192.09348	1.7
193.06432	1.4
193.10205	1.1
194.07344	1.0
195.07959	1.7
196.05180	0.9
197.05997	1.6
198.06783	1.5
201.09052	3.1
202.07813	0.9
203.08653	0.9
205.06467	1.5
205.10155	1.7
207.08049	1.8
207.11594	1.0
208.08826	2.4
209.05962	0.9
209.09544	7.7
210.06770	2.3
211.07533	4.0
212.08109	0.8
213.05324	1.1
218.07399	0.8
219.06273	1.4
219.08118	4.4
220.08842	6.0
221.09595	2.9
222.06723	1.4
222.10387	1.8
223.07570	1.5
223.11179	3.2
225.05504	1.2
225.09134	1.8
226.06131	1.1
226.09821	0.7
233.09604	2.9
234.06749	1.5
234.10442	1.3
235.07455	2.1
235.11156	6.4
236.08282	2.0
236.11876	1.3
237.09102	8.2
238.06136	1.0
238.09824	2.6
239.07008	1.9
239.10640	1.1
240.07867	1.7
247.07552	3.0
248.08322	6.2
249.09001	4.9
250.06331	1.4
250.09779	1.2
251.06917	1.8
251.10625	5.8
252.11458	6.1
253.08569	2.1
254.09291	1.1
255.10182	1.4
256.07422	0.8
261.09116	1.0
262.09872	2.8
263.10641	8.6
265.08591	10.7
265.12302	1.5
266.09262	1.8
266.12976	0.7
267.13782	3.3
269.11737	4.3
271.09753	1.3
276.07797	1.2
277.08707	1.9
278.09366	1.1
279.10172	3.7
280.10916	6.4
281.11664	3.2
282.08823	1.8
283.09534	1.5
287.09180	1.9
291.10126	3.8
292.10782	1.5
293.08063	2.4
293.11380	1.0
294.08975	0.9
294.12457	3.2
295.13257	11.5
296.13940	1.8
297.11258	7.5
297.14505	1.4
299.09122	2.4
308.10464	3.7
309.11227	3.8
311.12811	1.6
312.13495	3.6
322.11984	1.1
323.12753	12.5
324.13409	6.1
325.10623	2.3
326.11526	1.1
327.15897	17.7
328.16187	1.5
338.30606	0.8
339.12091	0.9
340.12946	2.6
355.15372	100.0
356.15698	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	355.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01863	4.0
57.03415	1.2
58.83836	0.6
65.03931	1.6
67.05497	1.7
69.03403	0.6
69.07043	1.7
69.61910	0.8
69.62245	5.4
71.01324	0.6
79.05485	11.1
83.04972	1.2
89.03889	2.6
91.05449	6.0
93.07024	1.0
95.04945	3.7
97.06527	16.9
102.04653	1.3
103.05471	10.2
104.06259	0.8
105.03328	0.8
105.07028	39.0
106.07409	0.9
107.04955	3.0
109.02831	0.8
112.79819	0.7
115.05460	14.1
116.06232	1.9
117.03414	1.5
117.07013	4.6
118.04156	6.4
119.04940	7.5
120.02085	0.7
121.06485	2.4
123.04404	1.2
123.08059	0.8
128.06215	0.8
129.06979	1.0
130.04102	0.9
131.04016	0.8
131.04922	8.6
132.05705	2.8
133.02863	4.0
133.06493	25.2
134.07239	2.0
135.04381	4.3
137.05965	6.4
141.06956	0.9
143.04913	1.9
143.05971	1.2
144.05717	0.8
145.02846	2.5
145.05377	1.3
145.06470	15.5
146.03586	1.5
147.04404	10.0
149.06004	1.3
150.06754	1.7
151.07539	6.9
153.07013	1.0
155.04903	3.7
155.06036	1.7
157.06451	1.1
159.04373	1.9
160.05156	1.2
161.02374	1.1
161.05974	12.4
162.06731	1.1
163.03906	13.2
163.07520	4.7
165.05481	3.6
165.06935	1.2
165.09100	2.9
167.07028	15.6
167.08450	1.4
169.06422	1.1
173.05972	14.3
175.07556	1.9
177.05469	2.7
178.06253	6.8
178.07668	1.2
179.07040	11.7
180.07753	1.2
181.04971	10.5
181.06494	1.3
183.04440	3.6
184.05199	1.7
185.05988	0.9
187.03893	14.1
187.07503	0.9
188.04694	4.1
189.05450	4.3
192.07753	2.0
193.08594	33.9
194.09373	100.0
195.08073	1.1
195.09648	1.3
197.09529	0.8
199.07535	1.5
201.05457	32.7
203.07028	1.0
205.06508	0.7
206.07338	0.7
207.06421	1.6
207.08092	1.3
210.06741	1.1
210.08705	1.3
211.07497	1.4
213.05516	0.9
213.09067	1.6
215.07042	1.1
219.08089	1.3
221.06021	1.6
223.07564	1.4
225.09117	1.4
227.06944	0.9
231.10275	0.8
233.06093	0.7
234.06657	3.5
235.07523	2.1
237.05475	1.5
241.08546	2.7
241.12277	2.6
247.07500	0.7
248.08101	0.9
249.05371	1.7
249.09077	2.0
251.07112	2.0
253.08401	1.1
255.10204	1.4
259.09692	0.9
262.06229	2.1
263.07016	2.5
265.08472	1.0
267.09964	1.2
269.11652	1.0
276.07803	1.7
277.08514	4.4
279.06561	0.9
280.07263	11.2
281.08035	2.2
290.05588	0.9
294.08664	1.9
295.09726	4.3
297.07556	1.3
299.12744	1.0
305.08026	1.6
311.09250	0.9
311.12778	1.9
313.10715	1.5
313.14343	1.1
322.08310	1.7
323.09073	1.6
327.12192	1.1
327.15802	0.9
337.10703	3.2
337.14383	1.8
338.10654	0.8
355.07480	1.4
355.11697	20.4
355.15503	8.6
356.11795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05300	0.9
55.05509	11.8
56.05020	1.4
57.07072	14.5
58.02948	1.1
58.06326	1.5
58.06594	15.6
60.04246	1.4
60.04522	16.1
64.13475	0.9
65.03934	0.9
67.05505	7.2
69.06714	1.6
69.07069	21.9
69.38785	2.6
69.39206	7.1
70.02944	2.4
70.06582	6.1
71.04977	2.6
71.08630	8.3
72.04507	2.0
74.06070	3.0
78.38948	0.8
79.05476	3.4
81.07052	17.4
82.06564	1.5
83.04982	1.5
83.08617	12.1
84.08134	6.0
85.10165	2.9
86.06065	4.8
93.07047	1.7
94.06564	1.2
95.08606	17.9
97.06522	1.2
97.10178	8.6
98.09669	1.3
98.20715	1.8
103.99776	0.9
107.08595	1.9
109.06530	1.3
109.10140	7.9
111.11718	3.8
112.07636	1.3
112.11205	1.3
119.08525	1.1
123.08070	0.9
123.11697	4.1
125.13248	2.0
135.11682	0.9
137.13303	1.1
216.31625	1.0
236.07568	0.9
268.29764	4.3
294.31604	3.6
306.31497	2.1
306.48422	0.9
307.29846	2.9
308.33109	3.2
310.30984	1.7
312.32535	1.0
326.34100	4.3
336.32574	12.4
354.33649	100.0
355.33954	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	354.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67265	1.2
63.05350	1.2
70.78582	2.8
77.57266	1.1
78.89342	1.1
86.05569	1.6
86.06063	24.7
97.06506	1.5
108.79648	1.1
126.00215	1.2
148.76042	1.2
165.06955	1.2
167.08588	1.2
178.07808	3.6
179.08521	2.1
181.10132	1.5
189.06990	2.5
190.07788	2.0
191.08501	7.1
192.09326	1.4
193.10110	1.2
194.07220	2.6
202.07852	1.6
203.08557	4.1
204.08102	3.9
205.06493	11.0
206.07253	4.5
206.09581	1.1
207.08047	3.3
209.09579	1.5
216.05673	1.6
217.06549	8.2
217.08408	1.9
218.07216	4.2
219.08026	19.2
220.08823	3.8
221.06090	1.8
221.09613	16.7
222.06728	1.8
222.09167	1.6
232.08937	17.3
233.05995	18.1
233.09624	11.4
234.06685	8.2
234.09174	7.5
235.07533	7.6
236.08260	3.7
237.09126	9.7
238.09729	1.3
247.07538	8.4
248.08395	18.5
248.10753	3.8
249.09042	30.4
249.11485	36.2
250.06181	2.3
250.08604	27.4
251.10751	1.4
263.10675	75.7
264.11453	35.9
265.08539	52.1
265.11026	34.4
266.09088	3.5
275.93927	1.2
279.09946	2.9
279.12750	1.6
280.10883	50.4
280.13422	16.3
281.11218	1.8
290.11240	1.4
291.12616	5.9
292.09714	6.0
295.13284	100.0
296.13589	3.0
307.12012	41.9
308.12375	2.3
316.43268	1.2
322.14355	65.6
323.14774	3.4
354.17029	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	354.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85972	0.8
55.05517	1.2
57.50052	0.8
62.31862	0.9
66.39723	0.8
67.05494	2.2
69.07056	2.2
72.04513	6.8
72.49100	0.9
79.05501	2.2
79.53453	0.9
81.07056	3.3
93.07046	2.1
95.04974	1.4
95.08598	2.1
97.06542	2.6
98.21526	1.2
105.07042	1.9
107.08580	2.1
119.08521	1.4
120.32094	0.9
129.23651	0.9
135.11687	3.0
136.12068	0.9
138.05518	1.3
142.39838	1.2
143.08516	1.1
152.07056	2.6
157.10141	1.2
165.06952	1.4
166.05005	2.3
167.03351	1.1
178.07794	2.7
179.08611	1.1
185.13255	1.1
189.06798	1.0
190.07727	2.4
191.08501	1.8
193.06459	1.1
194.07292	1.4
195.08109	1.8
202.07173	3.2
203.08652	1.3
205.06500	2.9
205.08560	1.2
206.07259	4.1
207.08018	1.6
208.08855	11.4
209.09589	2.7
210.10414	1.5
217.08824	1.3
218.07248	2.0
219.08041	4.3
220.08754	2.0
221.05983	3.0
221.09779	8.0
222.06575	1.4
223.07491	3.2
223.11165	3.4
225.73749	0.9
233.06284	4.4
233.08028	2.0
233.09792	2.8
234.06767	2.6
235.07472	4.1
236.08372	17.8
236.10735	3.0
237.09038	3.5
238.09831	2.6
244.07672	1.5
245.08397	1.9
246.06766	3.7
247.07521	4.3
248.08472	1.1
248.10738	2.1
249.05400	1.9
249.09464	6.6
250.08977	0.9
251.07114	5.1
251.10693	14.9
261.08026	3.0
262.08609	7.3
263.06967	9.8
263.09451	11.2
264.07724	10.7
264.10236	12.9
265.08572	4.6
266.09073	1.0
274.08594	1.4
276.10138	10.6
277.08276	3.0
277.10971	7.0
278.09332	4.0
279.06567	4.7
279.10129	22.1
280.07373	1.4
280.10403	1.7
292.09671	18.9
293.08002	3.0
293.10660	1.8
294.08786	23.4
294.11337	16.3
295.09048	1.7
305.21765	1.0
309.11200	100.0
310.11624	5.0
310.39560	0.9
322.10727	74.8
323.11087	4.4
354.13425	2.7
354.19043	1.3
354.25089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74560	0.7
67.05495	0.8
70.44594	0.6
70.89437	2.0
70.89813	0.7
72.04533	0.7
74.82866	0.7
79.05447	0.8
81.07052	0.9
95.04972	0.7
97.06515	2.2
105.03386	1.6
126.81790	0.8
131.49733	0.7
138.03799	0.7
140.08688	0.6
176.06245	2.5
179.08513	1.1
189.07036	3.9
190.07698	2.1
191.08476	4.6
195.08015	0.7
199.03799	0.7
204.05965	4.4
204.07909	5.2
205.06483	2.4
207.08047	2.7
211.34525	0.7
219.08055	52.7
220.08461	4.0
221.09634	2.4
222.06570	0.9
223.07497	1.9
232.05241	1.3
232.07588	3.2
233.05937	2.0
234.06726	2.1
234.09100	0.8
235.07515	9.0
236.08318	1.1
238.60423	0.9
246.06805	3.2
247.07541	50.0
248.08015	3.5
249.05565	0.9
249.09123	2.1
251.07025	2.3
251.10815	0.7
252.07773	2.9
261.05444	0.9
262.06253	12.1
262.08755	3.7
263.07013	7.6
263.09433	1.1
264.07715	2.4
265.05145	1.5
265.08557	5.6
277.08591	100.0
278.09293	23.4
278.12457	0.9
279.06491	11.4
279.09830	6.0
280.07095	1.4
281.08206	1.3
289.07397	1.3
294.08722	5.5
294.11380	40.1
295.11621	2.0
304.09744	4.3
309.11191	8.1
322.10712	7.8
323.11252	0.9
354.13495	1.1
355.15518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1184
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	0.4
55.05508	0.4
57.03430	0.7
58.76839	0.3
61.02908	0.8
63.02387	0.3
67.05499	0.9
69.03418	2.1
70.06573	1.1
71.04982	0.6
71.63570	0.4
72.08137	0.8
73.02895	0.6
73.04750	0.5
77.03904	0.6
79.05492	0.6
81.03410	0.9
84.04507	0.5
84.08134	0.7
85.02903	2.8
87.04454	0.5
91.05389	2.4
93.07007	0.4
94.06557	4.0
94.56619	0.4
95.04956	0.7
95.06902	0.4
97.02866	1.5
99.04455	0.3
105.03391	0.7
107.04932	0.7
107.08611	0.4
109.02898	0.4
111.04433	0.5
115.07560	1.1
117.05770	0.7
118.06541	5.8
120.08105	0.6
122.06030	5.0
123.07997	0.5
124.32219	0.4
127.03893	1.3
133.02840	0.6
134.03737	0.4
134.06003	0.6
135.04405	0.6
145.02814	0.5
145.05009	0.4
146.06003	15.0
146.15793	0.3
147.06709	1.1
148.07524	0.5
150.05515	1.4
162.05498	1.2
163.03873	2.8
164.07069	6.7
174.05505	100.0
175.05882	2.1
175.09631	0.6
176.07120	0.7
177.07893	0.6
184.87915	0.3
187.09618	0.4
192.06552	50.0
192.10158	2.8
193.04951	3.1
193.06876	1.2
204.06612	0.5
205.12021	0.3
285.01038	0.6
294.09634	0.5
336.10709	1.2
354.11823	44.6
355.07385	0.5
355.12213	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05506	15.1
57.03434	4.9
57.07071	5.5
58.80419	1.3
60.54250	1.3
65.03934	3.7
67.05504	89.0
68.05817	1.6
69.07065	13.8
70.58681	5.5
71.04976	4.1
71.08630	1.7
79.05491	49.6
81.07056	100.0
83.08612	10.2
91.05473	25.1
93.07041	64.4
95.04976	4.8
95.08604	70.3
97.06519	3.2
97.10165	3.8
99.08084	1.9
105.07027	21.1
107.08596	41.3
109.10151	37.1
109.25253	1.7
117.07025	9.4
119.08580	17.4
121.10149	36.3
123.11697	19.3
131.08556	23.4
133.10141	12.3
135.11690	31.8
137.09683	1.7
137.13309	8.2
139.11183	1.7
140.73781	1.6
145.10103	16.6
147.11688	8.5
149.13261	21.6
151.14806	1.7
153.12738	1.7
159.11694	16.2
161.13234	7.8
163.14839	9.9
165.12717	2.0
173.13231	13.4
175.14848	4.7
177.16396	5.5
187.14816	9.3
201.16435	2.3
233.22581	4.2
243.21088	23.1
244.21652	1.6
261.22147	74.4
262.22424	5.0
279.23212	5.8
335.25797	3.8
353.26843	19.8
354.27209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27598	0.4
50.93660	0.4
51.74047	0.3
64.56838	0.4
69.43349	0.3
69.43671	4.2
69.58200	0.4
72.08128	0.5
86.09676	0.8
97.56660	0.4
102.56217	0.4
109.95202	0.4
121.22463	0.4
133.10173	0.5
150.12712	0.8
167.15404	0.8
207.06754	0.5
219.06725	0.8
222.05524	0.6
237.07813	5.9
238.06137	0.5
247.06264	1.7
248.07057	100.0
249.07452	2.6
251.05844	0.5
255.17084	1.1
263.05777	0.9
264.06549	23.6
265.07321	25.9
266.07910	0.8
267.06442	1.3
276.06580	0.7
277.07306	0.4
278.04471	1.5
280.06036	15.5
281.06592	0.6
290.04617	0.6
292.06003	7.7
293.06821	5.1
304.06015	2.0
308.09161	83.1
309.09482	3.2
310.11044	0.8
311.09134	3.4
326.24353	1.3
336.08640	14.7
354.09717	21.9
354.13452	0.9
355.10162	0.6
357.22858	0.4
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
53.03938	1.9
55.01867	1.0
55.05506	14.3
57.03434	6.2
57.07082	5.4
59.30149	0.7
65.03938	3.0
66.97881	0.8
67.05500	95.8
68.05834	1.6
69.07065	14.8
70.08873	0.9
71.04980	3.8
71.08636	1.1
75.04463	2.1
77.03929	1.0
79.05490	39.2
79.05952	2.0
81.07052	100.0
82.07381	1.9
83.04958	1.1
83.08617	8.1
83.34946	0.9
85.06533	3.3
91.05476	18.9
92.89677	0.8
93.07040	53.0
94.07359	0.8
95.04971	2.4
95.08601	76.2
96.08977	1.4
97.06540	3.5
97.10155	3.0
98.60239	0.9
99.08086	2.5
105.07030	18.7
107.08588	40.3
109.06509	1.5
109.10149	34.4
110.10477	1.3
111.08086	1.4
111.11745	1.0
113.09615	1.5
117.06995	8.2
119.08582	14.5
121.10139	33.7
122.10528	1.3
123.08045	2.1
123.11694	19.9
125.09591	1.3
127.11214	1.4
129.06961	1.0
130.07755	1.0
131.08560	20.6
133.10127	11.5
135.11682	26.1
137.09644	1.3
137.13264	7.1
139.11177	1.3
143.08548	0.8
145.08987	1.6
145.10103	15.6
147.11671	10.5
149.13251	18.4
151.11115	1.3
151.14824	2.0
153.12714	1.5
159.11687	12.6
161.13254	11.2
163.11232	0.9
163.14792	10.5
165.12697	1.2
167.81963	0.9
173.13240	15.8
175.14816	3.3
177.12767	1.1
177.16376	3.5
179.14308	1.8
187.14786	8.8
191.14348	1.9
201.16373	3.3
205.15874	1.8
215.18117	1.1
219.17441	1.9
223.16817	1.0
233.22682	3.9
243.21060	19.3
244.21457	1.2
261.22131	84.5
262.22516	6.0
279.23151	6.8
295.39920	0.9
317.24802	1.7
335.25790	9.9
339.80008	0.9
353.26889	21.0
354.27365	1.0
369.08948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.4
55.05507	15.5
57.03429	4.7
57.07070	7.6
59.50822	1.4
59.65898	1.5
65.03933	3.7
67.05501	100.0
68.05833	2.2
69.03445	1.6
69.07072	14.1
71.04966	1.6
71.08615	4.4
71.23153	2.9
71.23508	2.4
72.79868	1.5
79.05489	55.0
80.05817	2.5
80.54410	1.4
81.07052	96.6
82.07403	2.0
83.04973	1.7
83.08622	7.7
85.06544	4.9
85.10159	2.3
86.44740	2.1
91.05473	31.1
93.07040	65.6
95.04973	4.8
95.08601	80.5
97.06517	7.4
97.10162	3.7
99.08086	6.3
103.84081	1.5
104.96030	1.6
105.03378	2.8
105.07020	22.2
105.96925	1.7
107.04958	1.8
107.08591	42.2
107.09275	3.0
109.06535	2.9
109.10152	30.5
113.09638	3.5
115.14346	1.5
117.07007	12.1
119.08572	16.7
121.10130	39.6
123.08067	3.1
123.11692	13.6
131.08568	24.1
133.10118	10.4
135.11684	26.1
137.13260	7.0
143.08565	1.8
145.10110	17.4
147.11671	9.7
148.92622	1.8
149.13240	22.7
150.13545	2.3
151.14828	2.7
157.07999	1.7
159.11708	15.0
161.13243	10.6
163.14809	18.7
173.13260	19.1
175.14828	3.3
177.16365	8.5
187.14827	9.6
199.07277	1.5
201.16420	2.8
231.96425	1.5
233.22594	7.5
243.21080	30.9
244.21535	2.4
261.22128	74.2
262.22577	6.0
269.81058	1.6
279.23172	3.7
325.14301	2.8
335.09195	4.2
335.25803	9.1
353.17630	1.8
353.26917	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.05516	17.7
57.03443	4.2
57.07066	5.4
65.03941	4.9
66.71655	2.1
67.05503	99.3
69.07068	13.6
71.05004	4.1
71.08607	2.1
79.05064	4.4
79.05497	58.2
81.07058	100.0
83.08617	8.0
85.06544	4.2
86.24683	2.2
90.61247	3.1
91.05476	28.2
91.44366	2.3
93.07046	71.2
94.07413	2.6
95.04967	7.5
95.08604	73.2
96.08956	3.0
97.06546	4.0
99.08083	2.8
105.07018	18.9
107.08585	40.6
109.06464	2.2
109.10161	28.8
110.10484	2.5
113.09652	3.4
115.47541	2.2
117.07002	12.8
119.08575	16.0
121.10173	24.6
123.11677	16.2
131.08554	29.2
133.10114	10.7
135.11694	27.5
137.13255	5.2
145.10121	18.1
147.11713	11.3
149.13271	24.3
151.11192	3.4
151.14708	2.5
159.11719	17.6
161.13254	5.7
163.14835	17.5
170.00310	3.0
173.13254	16.5
175.14932	4.6
177.16498	5.3
183.00356	2.0
187.14862	7.3
195.57222	2.0
201.16412	3.0
204.16518	2.3
233.22632	6.8
243.21082	25.0
250.90100	2.4
261.22147	72.3
278.82870	2.5
279.23221	3.6
335.25922	11.0
353.26923	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94980	1.8
53.03928	2.3
55.05510	12.9
57.03431	4.2
57.07059	5.3
62.34770	1.6
65.03915	2.8
67.05505	93.6
68.05843	2.1
69.07071	13.6
70.76785	5.9
71.04991	2.1
71.08627	2.6
77.03897	1.6
79.05064	3.1
79.05492	46.8
81.07054	100.0
82.07391	2.0
83.08611	6.7
85.06529	3.7
85.08821	1.6
91.04971	2.0
91.05486	23.0
91.06030	2.9
93.07043	63.9
95.04951	3.6
95.08604	68.5
97.06544	1.8
97.10149	4.2
99.08067	2.1
105.07021	17.7
107.08594	44.2
109.06541	2.9
109.10153	35.1
116.06203	1.8
117.07028	13.0
119.08578	14.7
119.84859	2.0
121.10148	30.8
123.11707	16.6
131.08563	21.2
133.10135	12.7
135.11679	24.7
137.09517	1.9
137.13249	10.2
145.10117	17.5
147.11673	11.1
149.13274	18.5
151.14853	2.8
159.11664	11.8
161.13268	9.7
163.14839	10.2
173.13281	16.1
175.14841	2.8
177.16446	2.5
187.14761	9.0
191.14348	2.3
201.16383	3.3
205.15866	2.2
233.22618	6.3
243.21082	21.2
261.22144	97.1
262.22556	5.4
279.23172	4.1
292.16205	1.7
335.25671	3.3
353.26840	19.6
354.27054	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.80986	1.1
53.03934	3.5
55.01852	1.9
55.05504	12.7
55.90509	0.9
56.16241	0.9
57.03420	4.3
57.07072	5.3
63.76472	1.1
65.03931	2.2
67.05498	93.1
68.05834	1.6
69.07061	13.1
70.37979	4.4
71.04990	1.7
71.08609	4.2
74.91193	1.1
75.04462	1.8
77.03902	1.8
77.40900	1.1
79.05484	57.7
80.05819	1.4
81.07048	100.0
82.07358	1.3
83.04941	1.5
83.08605	7.0
85.06525	4.1
85.10145	1.2
91.05474	30.9
93.07036	75.7
94.07336	1.5
95.04964	5.3
95.08598	82.8
96.08959	1.8
97.06523	3.5
97.10151	4.4
99.08090	4.4
105.07014	24.9
106.07360	1.2
107.08586	50.7
109.06496	2.5
109.10151	32.5
110.10545	1.4
111.08066	2.4
111.11702	1.3
113.09610	2.8
117.07008	11.9
119.08566	18.6
120.88720	1.1
121.10129	37.6
123.08097	1.7
123.11692	13.6
124.12096	1.2
129.07008	2.1
130.07779	1.2
131.08553	26.8
133.10114	14.5
135.11673	29.1
137.09604	1.9
137.13252	6.1
143.08556	1.7
145.10112	18.3
147.11656	12.1
149.09589	1.7
149.13240	25.4
151.11118	1.2
151.14789	4.7
153.12709	2.1
159.11685	15.9
161.13228	11.8
163.11200	2.1
163.14821	14.9
165.12764	1.6
171.11565	1.3
173.13229	19.0
175.14813	4.0
177.12749	2.1
177.16373	5.8
179.14265	1.4
185.13107	1.6
187.14803	11.6
191.14244	1.6
199.14900	1.4
201.16315	2.6
205.15933	1.6
209.13339	1.2
215.17934	2.1
219.17422	1.8
233.18921	1.3
233.22627	7.9
243.21053	31.5
244.21353	3.0
261.22116	85.6
262.22501	4.5
263.23679	1.6
267.80484	1.0
279.23129	3.1
335.26007	5.3
353.27487	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	1.9
54.89053	0.7
55.05510	13.0
57.03198	0.8
57.03439	5.6
57.07066	3.8
58.93474	0.6
65.03941	2.8
67.05503	96.3
68.05820	0.9
69.06719	1.2
69.07067	14.3
69.43450	2.8
69.43873	4.3
71.04982	1.9
71.08622	1.5
75.04474	0.9
77.03953	0.6
79.05491	43.7
80.05820	1.0
81.03427	0.9
81.07054	100.0
82.07386	2.1
83.04978	1.3
83.08603	6.2
85.06536	2.8
91.05478	20.5
93.07041	53.3
94.07359	1.7
95.04948	3.1
95.08604	69.4
96.08920	2.5
97.06508	2.1
97.10155	3.0
99.08087	1.9
105.07027	16.2
107.08589	36.4
109.06487	1.5
109.10155	32.8
111.11688	0.7
113.09647	2.0
116.06240	0.8
117.07008	9.0
119.08575	14.9
121.10142	24.8
122.10472	0.9
123.08073	1.7
123.11707	19.5
125.09573	0.9
129.07045	0.9
131.08569	19.2
132.08920	1.1
133.10132	11.9
135.11691	23.8
136.11986	0.9
137.09615	1.3
137.13254	6.8
139.11205	1.4
145.10120	13.1
147.11688	9.4
149.09561	1.3
149.12039	0.8
149.13248	15.2
151.11160	1.1
151.14767	1.8
153.12706	1.5
159.11682	13.8
161.13240	8.3
163.11177	0.8
163.14824	12.2
164.15205	0.8
165.12717	1.5
165.16306	0.8
173.13263	14.4
175.14769	3.2
177.12730	0.8
177.16295	3.1
179.14189	1.2
187.14836	7.3
189.16286	0.9
191.14287	1.1
201.16307	2.5
205.15833	1.2
219.17419	1.1
233.18953	0.8
233.22594	4.7
243.21098	20.5
244.21317	2.0
261.22131	79.8
262.22446	3.8
272.41251	0.8
279.23120	5.8
317.24649	1.6
335.25766	9.2
353.26910	22.2
354.27020	1.4
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
50.86647	0.6
53.03944	1.4
55.05505	13.0
57.03441	6.3
57.07076	4.7
65.03940	2.6
67.05500	90.5
68.05833	1.7
69.06709	1.1
69.07062	12.4
71.04984	2.5
71.08273	0.6
71.08636	1.3
75.04488	0.8
79.05490	37.9
79.71090	0.6
81.07053	100.0
82.07373	1.2
83.04993	1.4
83.08614	7.2
85.06536	2.7
91.05475	18.1
92.05817	0.7
93.07039	51.4
94.07361	0.7
94.74206	0.7
95.04961	2.8
95.08601	68.8
96.08937	0.9
97.06510	2.1
97.10143	3.1
98.21493	1.4
99.08098	1.9
105.04529	0.9
105.07029	15.1
107.08590	33.9
108.08894	0.7
109.06506	1.2
109.10149	39.1
111.08067	2.0
113.09634	1.3
115.05425	0.7
117.07017	8.6
119.07898	0.4
119.08574	14.7
121.10139	27.0
121.11023	1.4
123.08052	1.4
123.11700	19.1
124.12026	0.8
125.09628	1.6
129.06970	0.9
131.08560	19.1
133.10120	10.7
135.08058	1.0
135.11687	24.4
137.09625	1.5
137.13255	7.7
139.11185	1.0
145.10114	14.3
145.95601	0.6
147.11674	9.9
149.06223	0.6
149.09583	1.2
149.13248	17.1
151.11191	1.1
151.14804	2.1
153.12744	1.0
157.10092	0.7
159.11685	11.2
161.13232	8.7
163.11116	1.3
163.14821	10.2
165.12770	0.8
165.16432	0.8
173.13252	12.0
175.14830	2.9
177.12753	1.8
177.16377	4.6
179.14294	1.6
180.64366	0.6
187.14777	8.1
189.16400	0.6
191.14278	0.9
201.16351	2.7
205.15872	1.6
209.15341	1.1
215.18022	1.3
219.17485	1.2
231.90448	0.6
233.19000	1.3
233.22641	3.7
243.21083	18.4
244.21342	1.6
245.22865	0.7
261.22128	74.6
262.22470	4.5
279.23203	5.9
335.25824	8.0
336.25992	1.0
353.26877	18.7
354.27072	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01870	1.3
55.05508	16.5
57.03429	6.0
57.07071	7.2
65.03934	3.5
67.05499	95.1
68.05843	2.1
69.07064	13.9
71.05016	2.9
71.08624	2.2
79.05488	51.2
81.07050	97.0
82.07377	1.5
83.04941	2.0
83.08620	6.7
85.06537	3.0
91.05477	25.9
92.94345	1.2
93.07038	68.6
95.04961	3.7
95.08601	75.3
96.08898	1.7
97.06525	3.5
97.10165	2.9
98.21496	2.8
99.08083	2.9
105.07026	22.2
107.08587	39.4
109.06530	1.6
109.10149	40.8
110.10488	1.6
111.08064	2.2
113.09620	1.7
117.06994	8.6
119.08582	17.4
121.10140	31.8
122.10449	1.6
123.08115	1.9
123.11698	22.2
125.09595	1.6
131.08565	24.5
133.10130	12.9
135.11685	32.0
137.13223	7.0
143.08568	1.6
145.10117	17.9
147.11678	11.6
149.09598	1.5
149.13240	21.8
151.14883	1.6
153.12755	1.6
157.10187	1.3
159.11656	17.5
161.13252	9.5
163.14792	13.5
171.11757	1.3
173.13248	16.5
175.14836	3.7
177.12793	2.1
177.16386	3.9
179.14305	1.3
187.14836	8.4
189.41907	1.4
191.14424	2.0
201.16428	3.5
205.15869	2.5
209.74835	1.2
216.03348	1.1
232.34958	1.3
233.22659	4.1
243.21059	19.9
261.22128	100.0
262.22440	5.2
279.23242	2.9
335.26068	5.6
343.60181	1.2
353.27014	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66245	1.0
55.05315	0.9
55.05509	9.7
57.07056	2.7
57.59187	1.0
65.03924	1.4
67.05507	13.6
69.03410	1.4
69.06733	1.3
69.07070	16.9
69.50092	6.9
69.50512	2.7
71.04998	5.2
79.05490	18.3
81.03452	1.4
81.06586	2.1
81.07056	32.0
83.04961	4.5
83.08595	4.7
85.06525	7.5
91.04974	1.7
91.05482	20.2
93.07037	25.3
95.04967	6.0
95.08609	17.7
97.06512	4.3
97.10172	1.5
99.04456	5.2
99.08101	2.1
103.05479	1.1
105.07030	34.5
107.08590	27.0
109.06495	4.8
109.10139	12.9
111.08037	1.6
113.09609	1.4
115.05458	1.4
116.06208	1.6
117.07015	11.2
119.08584	26.6
121.06499	2.5
121.10149	14.7
123.08041	2.3
123.11694	4.1
128.06209	5.1
129.06996	7.3
130.07733	2.3
131.08562	22.5
133.06534	1.4
133.10118	21.3
135.08078	2.6
135.11736	6.3
137.09612	3.1
139.11217	1.5
141.06995	4.2
142.07745	4.9
143.08566	21.2
144.09308	3.7
145.06493	2.5
145.10109	22.4
147.08047	2.8
147.11699	10.3
149.09631	2.3
149.13237	3.6
151.11212	2.7
153.06995	1.6
154.07736	2.0
155.08545	13.1
156.09363	8.9
157.10135	20.5
158.10863	3.2
159.08116	1.6
159.11693	28.6
161.09601	2.0
161.13260	14.8
163.14803	2.1
165.06982	2.6
165.09175	1.5
166.07782	2.3
167.08540	4.1
168.09367	3.4
169.10104	13.7
170.10918	2.5
171.08069	3.1
171.11682	20.7
173.09578	3.7
173.13278	11.5
175.11200	4.4
175.14801	3.3
176.73280	1.1
177.12758	2.1
178.07730	1.3
179.08583	5.7
180.09367	2.6
181.10132	9.4
182.10873	3.7
183.11697	13.5
184.12405	2.0
185.09590	3.6
185.13261	12.8
187.11154	4.0
187.14799	14.9
189.12775	3.0
192.09311	1.7
193.10112	8.8
194.10890	4.7
195.11705	15.4
196.12418	3.5
197.09628	1.9
197.13277	15.4
199.11188	3.2
199.14816	14.4
201.12708	5.4
201.16417	2.8
203.14532	1.2
205.10199	2.3
205.12282	2.3
206.10867	3.4
207.11691	7.7
208.12392	3.5
209.13249	18.7
210.13977	2.4
211.11180	2.0
211.14798	10.4
213.12740	4.8
213.16380	2.8
215.14267	5.7
219.11729	4.0
220.12378	2.4
221.13264	10.9
222.14047	2.6
223.11163	1.4
223.14766	9.6
225.12712	3.1
225.16397	8.2
227.14369	5.4
227.17871	2.2
231.11720	1.3
231.13780	2.2
232.12392	2.2
233.13272	3.5
234.13982	1.4
235.14761	7.9
237.16333	9.7
239.14291	5.1
239.17969	5.1
241.15845	2.1
243.21082	1.7
247.14705	3.1
249.16376	4.9
251.17932	8.2
253.19547	3.4
255.17542	2.2
261.16422	5.6
261.22098	3.5
262.17184	2.7
263.17920	2.1
264.18716	1.6
265.16092	1.4
265.19489	6.1
267.17386	3.3
267.20947	1.6
269.19077	4.0
275.17972	4.4
277.19492	15.2
279.17392	6.8
281.18964	5.2
283.17053	1.6
283.20435	1.4
285.18509	2.0
285.66019	1.3
291.21085	1.9
292.21609	1.6
293.18988	2.6
293.22748	2.2
295.20569	12.0
297.18604	6.0
306.23679	1.4
307.20847	2.0
307.24158	10.5
309.22302	2.3
309.25772	3.3
311.20178	1.7
311.23459	1.4
317.22690	6.0
323.23615	1.6
325.25317	3.8
335.23648	34.6
336.24045	1.3
353.24738	100.0
354.25085	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68410	1.0
51.69752	0.9
53.03948	2.1
54.62665	0.9
55.01868	1.8
55.05518	2.9
57.03433	2.4
58.06594	10.5
59.55036	1.0
61.02943	1.1
67.05501	3.7
69.03429	19.7
69.07063	14.5
69.49110	1.0
70.06586	4.2
70.36422	4.3
70.36757	0.9
70.97787	0.9
71.04995	3.0
72.08161	1.8
79.05487	4.4
81.03419	4.1
81.07043	8.2
83.04980	4.0
83.08623	2.8
84.08133	3.1
85.02908	11.7
85.06529	1.3
86.09698	3.3
91.05479	5.8
93.07040	6.5
95.04942	1.4
95.08598	8.0
96.53722	1.0
97.02898	4.6
97.06499	1.3
99.04448	1.2
103.03889	1.0
103.05439	1.2
103.15697	1.1
105.07020	7.0
107.08582	14.1
109.02891	2.0
109.06517	5.1
109.10087	1.6
110.72705	1.0
111.08082	6.2
117.07018	2.3
119.08585	8.0
120.08095	2.3
121.06500	3.8
121.10123	9.3
123.08067	4.2
125.09621	2.0
126.09098	1.2
127.03901	4.9
129.06981	1.3
130.06551	1.1
131.08568	11.1
133.10117	9.2
135.08054	17.0
135.11670	5.6
137.05957	2.3
137.09647	1.7
143.08522	1.5
145.10091	4.9
147.04337	1.3
147.11696	3.8
149.09625	10.1
149.13217	1.9
152.07066	1.4
157.10135	1.1
158.10895	5.0
159.04376	1.0
159.07947	1.0
159.11668	1.4
161.06007	1.5
161.09682	1.2
163.11227	1.4
163.14825	4.9
167.07005	1.3
173.13275	18.7
191.07144	1.2
191.14307	100.0
192.10233	1.3
192.14670	2.5
194.90802	1.1
209.15248	5.2
219.50941	1.0
222.06642	1.4
285.14890	1.2
293.10471	1.2
308.12857	2.4
339.11029	2.3
353.06525	1.1
353.14481	1.7
353.19421	15.3
354.13477	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	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.05507	12.4
57.03399	6.8
58.06588	6.8
58.16209	3.2
60.03017	3.8
61.40880	3.4
67.05501	27.8
67.29814	3.7
69.07056	8.6
69.76704	27.9
71.04987	6.8
79.05492	39.0
81.07050	53.2
83.04949	9.8
91.05483	49.8
93.07029	38.0
95.04961	15.3
95.08599	41.1
97.06525	10.2
98.20789	4.2
99.16595	3.8
103.05452	11.2
105.06384	6.5
105.07025	84.8
107.04944	9.3
107.08592	38.6
109.06522	18.6
109.10155	7.6
115.05446	8.4
117.07017	38.6
119.07784	6.2
119.08579	65.1
120.08061	6.4
121.06480	13.5
121.10123	13.6
121.79968	3.6
123.08005	6.1
128.06224	11.8
129.06984	17.4
130.07779	7.5
131.04916	17.6
131.08560	70.0
132.05695	16.5
133.06487	6.9
133.10150	20.3
134.10403	3.7
135.08064	14.1
135.11687	4.0
137.05995	6.3
139.07458	4.7
140.72293	4.1
141.06985	15.7
142.07742	14.1
143.08568	29.4
144.09299	7.2
145.06430	8.6
145.10124	80.2
146.10501	4.9
147.08032	10.0
147.11688	10.3
148.05133	4.3
151.07533	5.2
153.07054	4.8
154.07767	5.9
155.08568	44.7
156.09279	14.0
157.10127	43.7
159.08073	17.7
159.11671	47.7
160.05159	8.4
161.09665	6.1
161.13240	6.7
167.07010	12.4
167.08543	21.8
168.09291	6.1
169.10136	32.5
171.11687	27.0
173.09633	9.0
173.13264	15.3
175.11180	9.5
177.05441	9.6
179.06981	5.1
182.10933	23.2
185.13254	7.2
187.14830	50.3
189.12779	6.8
191.07021	27.2
191.08507	4.6
191.10670	4.2
192.07800	38.0
197.13242	64.5
199.07605	4.4
215.14316	100.0
218.07307	7.7
219.08095	6.0
228.71899	3.7
229.64398	3.6
231.08185	5.6
233.09523	11.1
233.13231	6.6
233.15350	79.6
233.18947	4.4
248.07156	13.1
249.09099	5.3
251.07028	4.9
260.08185	6.4
261.09058	12.6
262.09631	3.7
263.06891	4.0
275.06763	7.4
275.16391	49.8
277.08533	4.9
278.08963	8.2
281.71536	4.1
289.08594	15.9
290.09363	4.8
291.10086	8.0
293.11783	11.8
293.17459	39.3
294.11279	11.9
307.09430	4.4
308.09122	10.7
308.12729	6.4
316.21619	4.5
321.11063	21.5
325.14316	8.4
336.12177	6.3
336.15781	7.6
343.68091	4.4
353.13834	35.6
354.13251	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31006	2.5
51.74380	3.4
53.03927	5.2
55.05499	11.2
58.64832	3.0
62.75425	2.8
67.05504	14.5
69.03422	3.4
69.07047	9.2
70.28428	11.8
71.04993	4.6
79.05494	30.5
81.07053	65.2
84.56332	3.0
87.63883	3.0
91.05477	28.3
93.07028	28.1
94.60188	3.5
95.04954	7.3
95.08602	56.2
97.06516	13.4
105.07022	51.3
107.08584	35.6
109.06492	4.3
109.10141	9.2
111.08047	3.6
115.03905	8.8
117.06997	11.5
119.08584	32.0
121.06487	6.0
121.10155	14.9
123.08043	7.1
123.11670	5.4
125.05960	3.9
128.06131	3.6
129.07068	14.1
130.07780	4.3
131.08562	39.2
133.10112	13.7
135.08031	13.2
135.11702	10.2
137.09592	3.4
137.13234	4.1
141.07011	5.8
142.07793	15.0
143.08530	11.6
144.09224	3.6
145.10118	43.9
147.08008	4.3
147.11671	16.4
153.06963	5.1
154.07780	4.1
155.08521	23.0
156.09370	3.5
157.10135	26.2
159.08031	13.4
159.11697	26.8
161.13240	17.2
167.08516	12.6
168.09360	4.3
169.10092	14.0
171.11678	9.9
173.09598	6.3
173.13231	8.6
175.11192	11.5
177.09093	5.0
182.10907	13.5
184.08937	3.1
187.14801	34.8
189.12694	5.0
197.13261	54.0
203.14299	5.6
205.15956	4.2
215.14310	100.0
215.16298	6.4
233.15359	81.2
251.16467	11.0
257.15344	13.1
262.09698	4.1
263.07065	8.3
275.16479	5.1
278.09296	7.7
293.11862	20.6
293.17438	23.8
309.34570	3.5
311.18445	9.7
325.14310	4.3
335.18362	7.1
353.09756	3.3
353.13821	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	353.1382
Annotation	Daldinone D
Peak:m/z	Relative Intensity
55.01862	0.8
55.05511	0.6
58.35137	0.4
67.05500	4.5
69.03404	1.1
69.07045	1.6
70.82022	0.9
70.82419	1.2
71.04986	1.7
79.05491	2.5
81.07051	5.7
83.04980	0.7
89.98870	0.4
91.05457	2.3
93.07028	2.0
95.04974	0.9
95.08601	4.4
97.02877	0.7
97.06528	3.6
98.78150	0.5
105.07008	1.5
107.08595	1.2
109.10162	2.4
119.08594	1.7
121.10135	1.5
123.11718	1.0
128.45201	0.5
129.06966	1.2
133.10095	2.2
135.11696	0.5
137.05922	1.4
141.06964	1.5
143.08553	0.7
144.05630	0.5
145.10066	0.6
147.11670	1.9
152.06177	0.4
155.08589	0.6
157.06468	1.0
157.10066	1.0
161.05980	0.7
161.09454	0.5
161.13242	0.6
163.11121	0.7
165.07016	1.5
167.07051	0.6
168.05676	0.8
169.06390	0.5
171.07999	0.8
175.07507	0.8
177.05496	1.1
178.07794	0.9
179.08511	1.2
181.06532	0.7
182.07234	0.5
183.08029	0.6
186.06755	1.5
187.07471	0.5
189.06966	2.4
189.09137	1.3
190.07797	4.1
191.07083	1.1
191.08548	1.4
193.10159	0.6
194.07188	0.6
195.08118	0.7
196.05048	0.5
197.06035	0.8
199.07526	1.5
200.08237	0.7
201.09122	2.4
202.07726	2.5
203.08549	5.8
203.14232	0.5
203.17949	1.6
204.09282	1.7
205.06487	1.6
205.10106	3.1
207.08040	4.1
209.05994	1.1
209.09706	0.5
210.06802	1.0
211.07562	2.1
213.16483	0.7
215.08583	7.0
216.09337	0.7
217.06512	1.1
218.07249	11.7
218.09277	0.8
219.07993	5.1
220.08882	1.6
221.06133	1.2
221.09656	2.8
221.18922	0.9
222.06734	0.9
224.08194	0.8
225.09106	0.7
227.06828	0.7
228.07730	0.5
229.06613	0.9
229.08606	3.1
231.08049	8.0
232.08788	7.0
233.06021	0.7
233.09589	17.2
234.06792	2.0
234.10143	1.3
235.07504	10.9
236.08231	1.6
237.09177	1.2
238.06355	1.0
239.07086	1.1
240.07693	0.8
243.08009	4.0
244.08635	1.4
245.06020	1.4
246.06802	5.9
247.07527	7.6
247.11293	0.9
248.08295	2.8
249.05510	0.8
249.06558	0.7
249.09056	6.1
250.06198	1.2
250.09863	4.3
251.07076	0.9
251.10562	0.9
252.07800	0.7
253.08650	1.4
256.07227	0.7
259.07538	2.1
260.08322	8.0
261.09091	29.2
262.06339	2.5
262.09735	4.9
263.07031	14.6
263.10590	2.1
264.07761	4.6
264.11099	1.0
265.04968	1.1
265.08585	2.3
265.12045	1.2
266.05737	0.9
267.10062	1.1
271.09714	2.0
274.06158	1.5
274.09848	1.7
275.07043	2.4
275.10611	3.5
276.07770	2.7
277.05319	0.9
277.08582	9.3
278.09338	14.9
279.06821	1.1
279.09976	5.1
280.07300	2.9
280.10062	0.6
281.07950	0.6
285.07501	1.1
288.07828	2.2
289.08548	10.4
290.06256	0.8
290.09149	4.0
291.06528	5.2
291.10092	2.3
292.07227	5.5
292.10898	4.3
293.04782	1.2
293.08282	1.7
293.11679	24.5
294.08899	0.7
294.12070	1.4
295.09552	3.0
296.10153	0.7
299.09097	4.3
300.09787	1.1
303.10104	2.2
304.07343	0.8
305.08093	3.4
306.08813	10.0
307.09607	15.9
307.13138	1.1
308.06738	5.0
308.09869	1.1
309.07492	2.0
309.11087	1.0
309.14908	0.6
310.11670	0.9
319.09814	0.8
320.10330	3.2
321.11206	38.5
322.08221	0.9
322.11835	9.4
323.09076	15.2
324.09586	1.8
325.10666	1.0
325.14365	2.1
335.12711	1.6
337.10626	1.9
338.11438	11.6
353.13806	100.0
354.14044	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	352.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65773	0.3
55.01863	0.5
55.05513	1.1
56.05030	0.6
58.06597	100.0
59.06936	1.0
63.49570	0.3
67.05506	1.2
69.03429	1.1
69.07076	0.4
70.06590	0.7
71.04993	1.5
71.64333	0.6
79.05499	2.3
81.03429	1.2
81.07048	2.2
83.04987	0.6
83.08620	0.5
84.08159	0.5
86.09725	0.4
88.02229	0.6
88.03994	1.0
90.23019	0.3
91.05479	2.5
93.07039	2.0
94.06589	0.5
95.04976	0.9
95.08614	1.6
97.01099	0.3
97.02898	0.8
97.06544	0.7
98.06052	0.6
99.04449	0.6
100.11263	1.1
103.05492	0.6
105.07025	7.6
106.07359	1.5
107.04956	1.0
107.08605	1.7
109.02927	0.5
109.06557	0.5
109.10159	2.1
115.05462	0.3
117.07023	2.1
119.04929	0.5
119.08584	2.6
121.06521	0.6
121.10170	0.4
122.02738	0.4
123.08098	0.5
127.03925	0.5
128.06241	0.8
129.07014	1.4
130.07687	0.5
131.04933	0.4
131.08543	2.6
132.05705	0.4
133.06490	5.6
133.10097	2.7
134.10513	0.7
135.04414	2.0
135.08075	0.6
137.05870	0.4
140.10706	1.0
141.07028	0.4
142.07759	1.7
143.08609	2.7
145.06433	0.5
145.10152	2.5
147.08057	0.7
147.11693	0.4
149.05972	1.1
149.13377	0.3
151.07573	0.4
152.05310	0.4
152.07123	0.3
155.08614	0.7
157.10089	1.7
159.08035	0.6
159.11676	3.2
161.09666	1.9
162.09975	1.2
163.11211	0.4
165.06952	0.5
168.10269	0.7
168.13863	0.4
171.08040	0.6
171.11716	0.7
173.09665	1.0
173.13231	0.8
175.11160	0.9
177.05443	0.8
179.10669	0.4
183.11729	0.6
185.13292	2.4
185.16501	0.5
187.11246	0.9
187.14758	1.7
189.09081	0.4
191.07036	1.0
195.11821	0.5
198.05800	0.5
201.12874	0.5
203.14330	1.3
213.12749	2.3
214.09105	0.4
215.08540	0.4
219.07999	0.3
229.12209	0.6
231.13789	3.8
233.09715	0.5
235.07404	0.4
247.13354	0.4
248.07077	0.4
261.09055	0.4
263.11017	0.7
281.11639	0.4
291.10181	0.4
292.19107	5.5
295.20206	0.7
306.15240	0.8
320.10034	0.8
321.11096	1.0
334.14792	0.9
352.15759	1.8
352.21191	21.7
352.25421	0.9
353.09988	0.6
353.13623	2.1
353.21527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19777	4.7
55.05502	13.4
57.79671	4.4
67.05498	21.5
68.28750	5.4
69.03385	5.4
69.07082	8.7
71.04987	8.0
71.63707	7.4
79.05488	22.4
80.05809	12.5
81.07049	30.1
82.07378	6.0
83.04981	8.1
91.05468	21.5
92.05806	5.0
93.07046	29.9
94.06609	4.6
94.07369	18.0
95.04944	7.7
95.08598	11.2
96.04465	6.4
97.06546	12.9
99.08131	5.6
105.07024	42.0
106.07355	12.5
107.04922	5.4
107.08593	23.2
109.10135	7.4
117.06974	6.7
119.08588	22.5
121.10135	14.7
122.10500	7.5
125.09540	4.7
129.07021	6.5
131.08551	15.5
132.08849	8.1
133.06433	7.3
133.10146	14.0
142.07826	9.7
143.08517	8.2
145.10133	14.3
147.11714	11.9
148.12027	7.1
157.10132	12.6
159.08098	6.2
159.11700	7.9
160.11983	7.0
161.13269	6.5
175.11221	5.1
183.11693	10.1
184.12083	6.1
185.13359	6.6
211.11060	5.4
227.31590	5.3
229.12178	9.2
242.19818	10.8
259.20541	10.8
260.21051	26.6
278.21960	8.6
279.05234	5.0
292.18112	6.4
292.22723	6.9
294.04025	12.8
322.03616	11.3
336.04990	8.3
337.05600	23.7
337.09442	5.1
352.07999	100.0
352.12000	26.3
352.25323	22.4
353.08694	9.7
353.13702	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	352.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01870	1.1
55.05518	2.1
57.03420	1.3
60.04517	2.0
62.78008	1.0
65.03928	1.7
67.05497	5.3
69.03432	5.5
69.07070	2.0
70.06599	6.4
71.56449	1.8
72.08150	2.4
79.05488	5.0
79.93839	1.2
81.03407	1.5
81.07066	4.1
83.05000	1.9
83.85273	1.1
84.04502	2.7
84.08141	4.5
85.02898	3.6
86.09702	8.2
88.03985	1.1
91.05470	6.6
93.07044	16.8
95.04961	8.9
95.08607	2.0
97.02905	2.4
97.06547	1.5
103.05510	1.3
105.07030	11.3
106.06557	2.9
107.04960	2.4
107.08595	2.7
108.26839	1.3
109.06524	4.6
110.06031	2.0
111.04444	2.6
111.08071	3.5
115.05461	1.8
117.07004	3.9
119.04925	1.3
119.08574	13.8
120.08096	2.6
121.06497	9.8
124.07554	2.8
125.02325	2.1
128.06219	2.5
129.07018	3.4
129.10243	2.3
131.04944	7.3
131.08565	14.0
133.06493	4.5
133.10114	2.6
135.04446	1.2
136.07530	2.6
137.06006	2.2
138.05521	1.9
139.07541	2.8
141.06953	2.2
142.07796	1.9
143.08560	4.3
143.11852	1.5
144.05663	1.3
144.09299	3.6
145.06445	7.1
145.10149	6.8
146.07220	1.5
147.08040	15.7
148.07607	1.8
149.05998	1.7
152.07062	35.0
154.00072	1.2
155.08533	2.1
155.10698	1.7
157.10165	4.6
158.07246	5.9
159.08061	15.9
159.11684	20.4
161.05916	1.2
161.09627	4.6
162.05554	1.8
163.07507	1.8
168.06651	2.0
168.09329	2.1
169.10129	3.2
171.08043	2.4
172.08804	8.3
173.09567	2.5
173.13220	4.9
175.07503	13.4
175.11208	1.4
180.06599	1.7
183.11696	3.1
185.13271	2.6
187.11182	23.8
189.09055	2.0
190.08591	2.4
191.07101	1.3
196.08838	2.9
198.07611	100.0
199.07906	2.2
201.12766	3.7
203.10777	1.6
205.12280	4.2
211.11145	2.7
219.13805	2.0
229.12280	4.2
247.13315	20.1
303.19595	1.2
316.10123	1.4
334.16492	2.2
352.10855	1.4
352.17462	20.2
353.17496	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57243	2.2
52.66669	2.3
53.03945	4.7
54.38393	2.6
55.01870	13.2
56.05011	2.4
57.03427	8.5
60.66896	2.2
61.02916	7.4
62.96986	2.6
63.25003	2.7
65.51183	2.2
67.05491	3.9
67.54411	2.2
69.03432	38.9
69.06704	5.1
69.07063	53.7
70.06586	9.0
71.04991	7.3
71.05800	6.1
72.08140	7.8
72.93806	2.9
73.02912	7.7
76.04356	2.6
79.05475	8.4
81.03433	19.4
81.07063	10.3
83.04979	2.7
84.08137	9.2
85.02898	100.0
86.09707	11.2
87.00820	34.9
91.05473	9.4
93.07047	8.6
95.08564	4.3
97.02882	40.8
97.06522	3.1
99.04460	15.8
103.03863	2.4
105.01866	56.8
105.03380	2.7
105.07038	5.3
107.04942	5.0
107.08597	6.5
108.04457	2.9
109.02869	24.5
109.06464	3.6
111.08076	6.6
112.87585	2.7
115.03901	2.7
115.05469	3.3
117.01864	3.4
117.07024	4.6
119.08549	4.7
119.36973	2.8
120.08125	2.9
124.65858	2.6
127.03908	77.3
129.01826	3.8
129.06969	3.2
131.08525	6.2
132.07991	2.9
133.06512	2.8
135.08037	3.5
137.05933	4.8
141.07047	2.8
145.04945	49.3
147.02859	2.8
147.04420	3.8
147.08061	4.0
153.09132	4.2
159.02885	18.7
161.05756	3.0
167.07030	3.3
173.13252	3.1
177.05444	5.7
177.09094	4.9
189.03960	3.7
195.10197	11.9
197.13245	2.7
217.04907	2.5
231.04997	26.7
233.09586	3.5
246.06992	3.2
249.05988	15.2
266.04489	5.7
279.10049	4.5
289.08405	3.8
291.85373	2.6
294.04074	5.1
309.06433	3.6
337.05954	9.5
352.08167	22.4
352.12323	3.8
352.17551	4.6
353.08694	3.9
353.13391	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	352.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98862	1.0
53.03939	5.8
56.88552	1.0
57.86670	1.0
62.19096	0.9
69.03421	4.5
69.52995	0.9
71.04994	7.2
71.22998	2.6
79.01867	2.9
81.03405	2.9
83.01337	1.7
83.04974	4.3
97.02895	16.9
105.05514	1.2
111.04424	14.9
113.06033	1.6
115.03908	3.6
125.02342	100.0
133.04968	17.7
139.03893	72.3
153.01817	47.6
154.02158	1.6
167.03381	5.5
171.02892	21.3
185.04449	54.5
189.03934	2.7
203.05501	4.9
239.05518	2.5
253.07065	3.4
255.08716	2.7
267.04953	1.2
271.08054	1.0
281.06473	6.1
285.06018	3.2
299.07593	23.6
317.08655	9.4
326.36874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06351	0.8
55.05492	2.8
57.03435	1.7
67.05510	5.0
68.05817	1.3
69.07041	2.2
70.55033	2.3
71.08609	2.2
72.08945	1.1
79.05479	4.0
81.07046	3.2
82.07371	2.1
86.05555	1.5
86.06055	12.7
91.05453	3.2
92.05802	1.2
93.07040	3.9
94.07368	1.7
95.08575	2.6
97.06524	1.1
98.21429	1.0
99.08098	0.9
105.07027	3.3
106.07314	1.6
107.08585	3.3
108.08897	1.4
112.63927	0.8
114.25517	0.9
119.08592	1.9
120.08894	1.2
121.10160	1.9
125.09534	0.9
135.11688	2.0
147.11673	1.4
148.11993	1.8
150.13544	1.1
162.13528	1.1
170.10661	1.1
179.14305	1.8
180.14645	1.8
189.06944	1.5
190.07771	4.6
202.07591	1.1
203.08540	1.3
205.06451	1.8
205.10054	1.5
207.08009	4.8
217.08835	1.1
218.07416	4.4
219.08032	4.9
220.08743	3.2
231.07996	4.8
232.08810	4.6
233.05902	1.4
233.09587	3.3
235.07553	19.4
236.08124	1.5
242.20041	1.4
243.08037	1.6
244.07333	1.4
245.05951	1.8
245.08377	2.0
246.06717	2.2
246.09131	10.8
247.07498	11.6
247.09903	23.8
248.08156	3.2
248.10484	1.3
249.09016	3.2
259.07483	7.4
260.08252	4.2
260.20901	3.2
261.05591	1.2
261.09055	6.1
262.08823	12.1
263.06952	55.9
263.09430	50.6
264.07373	2.5
264.09741	2.3
277.08545	8.9
277.11179	1.7
278.09271	51.5
278.11786	48.1
278.21942	2.4
279.09604	2.2
279.12149	3.3
293.11694	100.0
294.11978	5.3
305.10406	29.8
306.10641	1.9
320.12790	60.6
321.13235	2.8
352.08374	1.4
352.15555	6.9
352.25562	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.7
54.03453	4.1
55.05519	26.7
57.07042	6.7
63.58554	4.1
67.05506	39.2
69.03416	6.9
69.07066	63.8
71.04984	10.6
71.05817	12.7
71.12181	4.3
79.05490	36.1
81.07056	73.0
83.08608	14.5
91.05474	53.1
93.07043	78.8
95.04946	28.1
95.08607	73.7
97.06508	14.9
105.07031	100.0
107.08598	60.3
109.06508	13.1
109.10154	48.8
111.11727	6.8
117.07016	17.9
118.80104	4.1
119.08579	99.7
119.09352	8.6
121.06452	10.7
121.10146	48.3
123.11709	19.1
128.06210	7.8
129.06995	13.9
130.07816	12.7
131.08569	43.5
133.10146	48.6
135.08069	17.0
135.11682	13.8
137.13295	7.6
141.14680	4.8
142.07736	16.1
143.08571	26.8
144.09363	6.3
145.06493	5.3
145.10139	54.2
146.07248	10.8
147.08067	5.8
147.11618	22.3
149.09636	16.2
155.08557	7.3
156.09340	12.8
157.10126	47.9
159.11652	31.9
161.09624	51.8
161.13257	20.7
163.14938	4.4
164.95586	5.4
169.10121	12.7
170.10823	8.8
171.11674	25.1
173.09584	7.6
173.13240	18.3
175.11098	8.0
175.14838	17.0
177.16328	14.4
177.29953	4.4
179.08540	5.4
181.10027	4.3
183.11685	13.4
185.13242	15.9
187.14880	8.3
189.16373	6.0
194.10732	4.8
195.11702	6.1
197.13332	7.5
199.14853	8.5
203.17996	8.0
207.11835	5.1
209.13264	12.5
212.82387	5.0
213.12766	5.6
227.14426	8.1
241.19472	9.7
255.17265	6.6
255.21112	6.9
259.20541	8.1
313.57947	6.0
351.26993	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84078	2.0
53.03948	4.0
55.01880	4.0
55.05518	21.8
57.03437	9.9
57.07075	4.8
65.03944	2.1
67.05506	61.4
69.07073	23.0
71.04990	7.8
71.08635	14.6
71.62556	4.4
75.04485	2.7
79.05497	73.7
81.03403	4.1
81.07060	67.1
83.04969	5.1
83.08618	10.8
85.06578	5.3
91.05480	55.6
92.05778	2.8
93.07047	100.0
95.04963	11.5
95.08608	47.7
97.06544	4.6
97.10162	5.3
99.08117	16.4
105.07031	71.1
107.04961	2.5
107.08598	63.7
109.06511	7.3
109.10169	16.7
113.09628	2.8
117.07008	15.2
119.08586	52.2
121.08805	2.4
121.10142	53.6
123.08042	2.7
123.11722	3.3
128.06281	3.1
129.07011	8.2
131.08589	19.4
131.38045	2.2
133.10138	51.7
133.11108	4.2
135.11699	47.4
137.05984	5.6
141.06999	3.0
143.08577	9.8
145.10127	29.0
147.08070	2.2
147.11684	47.1
149.09645	3.7
149.13269	27.4
151.11221	5.9
157.10123	8.9
159.11696	22.4
161.13260	34.4
163.11133	4.2
163.14873	10.9
165.12733	5.6
171.11665	16.9
171.34291	2.5
173.13255	11.8
175.14835	14.8
177.12773	4.0
179.14328	7.6
181.10156	2.7
185.13184	15.3
187.14793	3.4
189.12819	3.0
199.14906	6.9
203.14362	2.7
213.16415	5.6
231.13896	3.2
231.17520	3.6
231.21158	3.9
241.19516	32.0
259.20593	86.2
260.20850	5.5
261.22104	2.4
277.18613	4.3
277.21591	23.2
279.99924	2.4
333.24240	8.4
351.06589	2.3
351.19131	3.4
351.25369	75.2
352.08051	2.7
352.25592	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.05503	12.0
57.03423	5.5
57.07064	3.7
67.05166	3.1
67.05499	41.2
69.07069	13.9
70.90891	4.9
71.04985	2.4
75.04470	2.0
77.64848	1.7
78.24007	1.8
79.05050	3.7
79.05486	66.5
81.07045	38.7
83.04959	2.0
83.08599	4.7
85.06527	2.4
91.05470	55.2
93.07032	78.4
95.04956	5.7
95.08600	27.9
97.10125	2.5
99.08060	2.4
105.07018	60.2
105.23624	1.9
107.08582	46.9
108.21510	2.3
109.06472	3.8
109.10149	13.3
113.09628	2.2
117.06993	11.5
119.07775	3.7
119.08578	53.9
121.10149	32.7
123.11726	3.8
128.06242	2.9
129.06992	9.3
131.08546	21.7
133.10132	42.1
135.11679	38.7
143.08557	11.8
145.10104	26.0
147.11665	55.2
149.13239	23.1
157.10126	10.1
159.11662	20.9
161.13226	29.9
163.11194	4.0
163.14804	4.8
171.11665	9.5
173.13248	9.9
175.11153	3.0
175.14807	16.4
177.12721	4.3
183.11536	2.1
185.13264	12.8
187.14839	2.6
189.16348	2.5
199.14859	10.3
213.16333	4.3
231.17453	2.6
231.21019	9.1
241.19458	32.9
259.20551	100.0
260.20850	2.7
277.21643	7.2
333.24393	3.7
347.59949	2.0
351.25262	59.0
352.25574	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01865	2.6
55.05510	17.9
57.03433	9.1
57.07058	2.8
57.22335	1.5
63.58487	1.6
65.03928	1.9
66.23132	1.5
67.05502	54.7
69.07064	13.3
69.69556	13.6
71.04972	2.1
75.04480	3.8
79.05490	64.1
81.07053	58.6
83.04949	2.1
83.08607	9.2
85.06522	3.6
91.05473	51.5
93.07037	100.0
94.07311	1.9
95.04945	5.9
95.08600	41.9
97.06522	5.3
97.10138	3.4
98.20808	2.3
99.08076	5.0
105.07019	55.9
107.08585	60.1
109.06480	3.3
109.10154	14.8
113.09603	2.4
115.05416	2.5
117.07021	11.5
119.08574	50.3
121.10137	46.5
123.08083	2.0
123.11717	4.7
129.06990	10.3
131.08571	22.6
133.10117	45.1
134.10454	2.0
135.08008	2.0
135.11685	46.9
137.09627	2.1
143.08521	9.1
145.10106	21.3
147.08046	1.8
147.11679	50.6
149.09604	3.2
149.13234	28.1
157.10114	10.5
159.11684	17.3
161.13251	33.4
163.11140	2.3
163.14801	13.7
165.12779	2.4
171.11688	16.3
173.13260	10.9
175.11142	2.0
175.14825	20.4
177.12741	4.2
177.16418	2.2
185.13216	13.9
189.12743	2.2
199.14799	6.8
213.16388	4.5
219.85951	1.8
231.17435	2.7
231.21092	6.1
235.17096	2.1
241.19467	37.8
242.19836	2.3
259.20560	94.0
260.20987	4.7
277.21628	15.9
288.63113	1.7
301.64413	1.9
333.24152	9.6
351.25287	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05062	0.8
53.03944	2.3
54.82463	1.0
55.01865	2.3
55.05512	16.2
55.30121	0.9
57.03440	15.5
57.07070	3.6
60.75727	0.9
65.03955	1.2
67.05503	49.2
69.07068	17.6
70.09240	5.1
71.04993	2.5
71.08630	53.3
73.06635	1.2
74.48867	0.9
79.05491	40.5
79.67143	0.9
80.05836	0.9
81.03403	7.7
81.07056	50.0
83.04968	10.7
83.08615	8.4
85.06551	3.5
91.05475	31.0
93.07040	53.5
95.04967	9.9
95.08607	34.6
97.06524	9.8
97.10174	3.0
98.21505	1.1
99.08093	35.2
99.62489	0.9
105.07030	24.1
107.04921	7.6
107.08592	27.6
109.06532	4.3
109.10155	14.9
111.08080	2.2
113.09657	2.2
117.07035	4.1
119.08587	16.7
120.33315	0.9
121.06536	1.7
121.10142	24.5
123.08102	1.6
123.11715	2.5
125.09626	1.6
127.11173	1.7
129.07001	3.1
131.08598	5.1
133.10114	14.6
133.11063	1.3
135.11687	32.8
137.09622	4.1
137.13269	2.0
139.11182	2.3
141.09094	5.7
143.08569	3.9
145.10071	5.6
147.11693	6.5
149.13237	11.0
151.11169	20.5
153.12764	1.9
157.10162	2.1
159.11716	4.0
161.13240	12.2
163.11157	7.5
163.14833	2.5
165.12743	2.2
167.10652	2.2
171.11684	2.9
173.13147	1.6
175.14803	1.7
177.12735	4.7
179.14310	100.0
180.14650	1.9
185.13248	2.3
189.12785	3.9
194.70377	1.1
195.13806	1.9
199.14932	1.7
213.16447	1.6
221.15405	2.6
223.38562	1.0
235.16943	4.4
241.19472	2.4
249.22038	1.2
259.20605	5.9
277.21634	42.3
278.21994	1.6
351.25320	29.9
352.25549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01862	2.5
55.05507	18.5
57.03437	13.4
57.07058	4.3
65.03928	2.2
67.05502	61.5
69.06716	2.2
69.07068	21.7
70.25375	8.6
71.04989	3.6
71.08627	9.8
73.49973	1.8
75.04482	3.4
79.05495	74.0
81.03407	2.1
81.06580	3.6
81.07058	70.3
83.04951	2.0
83.08609	11.0
85.06529	3.5
86.06050	5.6
87.78467	1.6
91.05476	55.3
93.07045	100.0
95.04980	10.3
95.08607	43.2
97.06517	7.2
97.10162	3.5
98.21405	3.0
99.08068	7.7
105.07030	63.5
106.30025	1.7
107.08595	59.1
108.08895	2.2
109.06520	4.1
109.10155	19.4
111.48529	1.5
113.09633	2.6
117.07035	14.9
119.08579	60.4
121.06497	1.9
121.09317	2.8
121.10144	44.9
121.11012	2.4
123.07987	2.5
123.11643	2.6
125.09605	3.2
129.06976	9.1
131.08569	22.2
133.09108	2.6
133.10123	54.0
135.08047	2.5
135.11690	49.3
137.09630	2.2
137.13283	2.4
142.07765	2.7
143.08563	8.5
145.10110	24.4
147.11687	45.6
149.09612	3.7
149.13258	29.8
151.11171	5.8
157.10144	8.9
159.11700	21.0
161.09653	3.4
161.13260	44.9
163.11156	4.0
163.14813	10.8
165.12723	2.8
171.11702	13.5
173.13234	11.0
175.14815	19.1
177.12755	3.7
179.14326	17.4
185.13293	10.9
187.14812	3.9
189.12703	4.3
199.14803	8.3
203.14316	2.6
207.13805	2.0
213.16350	5.7
213.90282	1.9
215.18036	2.1
217.19479	6.4
221.15419	1.9
231.17455	4.0
231.21095	11.3
235.07545	6.6
235.16959	2.5
241.19487	39.5
246.09196	4.6
246.42628	1.9
247.07669	3.2
247.09926	8.8
259.07724	3.0
259.20581	91.8
260.20840	5.0
261.09018	2.3
262.09674	3.8
263.06970	17.5
263.09500	19.1
277.08545	3.6
277.21686	22.7
278.09326	19.4
278.11819	16.0
278.40390	1.9
293.11737	31.6
305.10486	11.5
320.12799	21.8
324.61520	1.9
333.24115	9.5
350.47589	1.9
351.25290	67.4
352.25797	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28489	2.8
53.03948	3.5
55.01855	3.4
55.05512	28.4
57.03436	12.3
57.07067	4.2
59.62536	2.3
65.03944	2.8
67.05160	4.4
67.05504	55.9
68.05831	2.4
69.03413	2.8
69.07069	24.4
70.08555	11.0
71.04983	5.9
71.08635	15.5
79.05486	84.6
81.03448	2.8
81.07055	78.9
81.08291	2.3
83.04986	5.6
83.08617	14.2
85.06538	6.9
91.05475	66.7
92.05822	3.0
93.07039	100.0
95.04954	12.2
95.08604	55.3
96.08939	2.8
97.06529	7.7
97.10148	3.5
99.08078	12.0
100.11227	2.3
105.07024	63.5
107.08589	64.7
107.09281	4.9
109.06526	5.6
109.10145	22.0
111.08091	3.4
113.09668	2.5
115.05459	2.4
117.07011	16.6
119.08567	60.6
121.06548	3.1
121.10143	47.9
123.08062	3.4
123.11700	5.9
128.06169	3.8
129.07022	9.7
130.27901	2.5
131.08559	26.9
133.10132	57.2
135.08115	2.7
135.11691	45.9
137.09613	4.8
141.07025	2.2
143.08577	14.2
145.10124	31.1
147.11687	52.9
149.09604	5.2
149.13252	26.9
151.11157	8.5
151.14871	2.4
157.10144	12.3
159.11659	22.6
161.13237	41.9
161.14426	4.0
163.11205	2.6
163.14822	12.4
169.10141	3.8
171.11691	17.2
173.13264	14.1
174.67628	2.4
175.11182	3.9
175.13434	3.5
175.14828	21.4
177.12712	4.2
179.14391	11.8
183.11775	3.4
185.13324	13.1
185.60100	2.9
187.14825	3.3
189.12836	3.6
199.14825	11.1
201.57654	2.4
213.16377	4.8
215.17897	3.2
217.19424	6.6
226.80867	2.4
231.21138	8.5
241.19498	46.5
259.20560	95.7
260.20889	4.3
277.21573	26.1
293.11551	2.6
318.03064	3.0
333.23984	11.8
351.06754	5.5
351.25430	60.9
352.07779	2.8
352.25598	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01855	1.8
55.05506	15.2
57.03435	6.1
57.07068	2.5
65.03919	2.5
67.05504	44.6
69.07071	17.8
71.08611	6.9
71.29454	2.7
71.29776	2.7
72.88672	1.5
75.04482	3.6
76.77573	2.0
79.05489	56.7
81.03407	2.1
81.06593	3.3
81.07056	49.4
83.04958	3.6
83.08608	7.1
85.06541	4.2
91.05483	59.9
93.07042	64.3
94.07394	2.6
95.04956	7.0
95.08605	34.9
96.08905	2.5
97.06515	5.4
97.10169	3.3
99.08102	9.0
105.06302	3.1
105.07029	65.0
106.07326	4.9
107.08592	40.5
108.08900	2.3
109.10160	13.1
111.08097	2.6
113.09661	1.9
115.05424	2.2
117.07018	15.7
119.08576	56.9
120.08929	3.2
121.09334	2.6
121.10149	36.4
123.08067	1.7
123.11666	3.0
129.07053	11.0
131.08559	22.9
133.09123	2.7
133.10127	49.2
135.08041	3.6
135.11700	30.8
142.07805	2.4
143.08571	9.0
145.10115	23.8
147.11687	49.1
148.12111	2.0
149.09612	3.2
149.13298	16.2
151.11177	5.6
157.10117	12.0
159.11717	16.6
161.09630	2.5
161.13260	37.9
162.13615	2.3
163.11143	5.1
163.14790	6.4
171.11685	12.8
173.13293	8.5
175.11136	1.8
175.14801	19.0
177.12769	3.1
185.13286	12.3
187.14839	2.5
191.14273	2.5
199.14824	5.4
207.06596	2.2
213.16402	3.1
217.19591	4.3
231.17491	3.4
231.21021	12.6
241.19502	36.0
242.19859	2.4
259.20572	100.0
260.20972	4.4
277.04404	2.0
277.21460	6.6
291.12381	4.6
311.77792	1.9
319.09680	2.1
336.04623	10.0
351.06866	18.2
351.15875	2.3
351.25323	56.1
352.08032	6.8
352.25446	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
54.47564	0.8
55.05261	1.1
55.05507	17.1
57.03433	8.1
57.07058	2.7
63.28677	0.9
65.03928	3.0
67.05501	46.0
67.96402	0.8
68.92461	0.9
69.06724	0.9
69.07067	15.1
71.04053	0.7
71.04970	3.3
71.65003	1.4
75.04469	2.3
77.03917	1.0
79.05489	66.6
80.01142	0.9
80.05836	1.1
81.07053	52.8
83.04967	1.8
83.08613	6.5
85.06550	4.8
91.05473	56.1
92.05782	0.9
93.07040	84.2
95.04955	4.2
95.08599	40.2
97.06516	3.7
97.10146	3.4
99.08080	3.5
103.05412	1.5
105.04565	1.1
105.07027	55.1
106.07328	1.0
107.08589	50.0
108.08913	1.0
109.06517	2.8
109.10145	12.8
111.08085	2.0
113.09642	1.8
115.05437	1.2
117.07008	12.6
119.08576	54.3
120.08888	0.9
121.10139	40.6
121.11021	2.1
122.10447	1.4
123.08035	2.2
123.11688	3.2
125.09630	1.5
128.06197	1.1
129.05496	1.3
129.06998	9.9
131.08559	20.0
133.10126	45.5
135.08017	2.1
135.11685	40.1
137.09595	2.4
137.13232	0.9
142.07849	1.0
143.08549	10.6
144.70770	0.8
145.10120	23.4
147.08020	1.4
147.11679	48.2
149.09615	2.0
149.13257	25.9
150.13474	0.8
151.11143	1.9
157.10114	9.7
159.11690	19.1
161.09546	1.9
161.13257	38.1
162.13631	1.1
163.11128	3.1
163.14799	9.6
165.12637	1.5
171.11662	13.1
173.13235	10.1
175.11150	2.4
175.14815	18.9
177.12750	2.9
177.16396	2.1
179.14297	1.3
185.13243	15.9
187.14796	3.9
187.16383	1.0
189.12741	3.3
189.16365	1.8
191.14287	1.0
195.13799	1.7
199.14810	8.5
201.16347	2.2
202.44736	0.8
203.14192	1.4
213.16328	5.1
215.17932	2.5
217.15811	1.8
217.19534	5.2
221.15416	1.0
224.06500	0.8
231.17413	3.4
231.21036	8.9
241.19492	37.5
244.08475	0.9
250.83792	1.0
259.20560	100.0
260.20905	3.4
261.22079	1.2
277.18704	1.8
277.21603	15.4
278.21896	1.1
333.24280	10.1
336.04449	1.4
351.06870	4.5
351.25275	61.3
352.25479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01875	13.8
55.05510	36.3
57.03427	13.2
57.07101	4.2
67.05502	84.0
69.07079	36.2
70.26490	21.9
71.04978	4.8
71.08643	30.2
73.02905	4.1
79.05492	71.9
81.03419	9.8
81.07057	93.4
83.04974	6.3
83.08630	11.0
85.06572	5.3
86.77343	5.2
87.82048	4.1
91.05477	63.6
93.07041	100.0
95.04984	19.8
95.08610	54.7
97.06538	9.9
97.10150	6.7
99.08086	21.4
100.57829	5.5
105.07024	87.5
107.04983	7.7
107.08611	67.3
109.06523	19.3
109.10170	25.8
111.08075	10.3
117.07027	27.7
119.08566	63.3
121.06490	11.3
121.10140	48.3
123.08088	7.4
123.11710	5.4
128.06215	12.6
129.06967	23.3
130.13809	5.2
131.08565	40.6
133.10118	52.1
135.08075	10.8
135.11685	46.9
138.21771	5.6
141.07088	5.5
142.07814	7.1
143.08583	39.4
144.09291	4.9
145.10115	39.2
147.08127	10.1
147.11665	37.3
149.13277	19.7
151.07542	7.3
151.11201	16.9
155.08559	7.1
156.09341	7.1
157.06458	5.7
157.10132	37.4
159.11696	94.4
161.09660	6.5
161.13275	27.3
163.11253	9.1
163.14804	5.4
165.12794	11.9
169.10062	5.7
171.07977	7.0
171.11743	20.4
173.09564	5.6
173.13264	12.9
175.07587	13.2
175.11197	5.6
175.14874	14.6
179.14339	21.7
185.13263	51.9
187.14813	9.5
189.08986	5.2
189.12735	6.2
195.11742	12.9
197.13382	7.3
199.07591	5.1
199.14876	8.2
200.08337	6.2
203.14369	11.2
213.12816	21.6
217.15880	5.5
225.33658	5.4
231.10214	5.6
231.13785	61.0
231.21281	6.9
232.14055	6.5
241.19490	27.1
249.14841	7.8
257.29431	4.5
259.20596	66.4
277.21646	34.7
289.21704	12.1
291.12500	5.8
291.15729	5.6
295.12494	6.0
333.24200	6.3
333.55548	4.6
336.04959	9.4
351.06583	5.1
351.10513	5.5
351.25543	76.3
352.07916	14.7
352.11755	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	351.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01852	0.9
55.05262	1.3
55.05510	18.8
57.03426	0.8
58.06581	3.4
67.01866	1.0
67.05495	2.1
69.03077	1.0
69.03428	14.0
70.03750	0.8
70.06591	1.3
71.04973	3.3
71.64230	1.2
79.05495	4.8
81.03409	5.0
81.07047	3.7
82.06571	3.3
83.04957	1.0
83.08618	6.3
84.08138	1.3
85.02891	2.6
86.09743	0.8
91.05471	8.8
93.07035	5.8
95.04985	1.4
95.08582	2.3
97.02280	1.5
97.02888	19.4
97.06532	1.3
98.09672	3.3
98.73763	0.8
99.04448	6.8
100.07583	1.1
100.11253	19.6
101.11594	0.9
103.05470	1.8
105.07030	54.7
107.04935	1.7
107.08599	5.1
109.02898	5.7
109.06511	1.6
109.07583	0.9
109.10172	1.1
110.06034	1.9
111.04448	1.9
117.07022	2.3
119.04933	1.0
119.08582	5.5
121.06498	2.8
121.10146	1.5
123.08041	2.3
127.03922	11.5
128.06229	2.0
128.07086	1.9
130.07800	1.3
131.08539	6.6
133.06517	5.7
133.10129	35.5
135.11673	1.0
137.05936	1.7
143.08548	5.9
144.09294	0.9
145.06435	1.0
145.10130	11.9
146.07254	1.9
147.08096	0.9
147.11671	1.1
151.07559	3.0
157.10127	1.4
157.40816	0.8
158.53525	0.9
159.08058	1.2
161.09621	44.6
162.10109	0.9
163.11157	9.3
166.15916	2.6
171.08044	2.5
171.11714	0.8
173.13213	5.7
175.14680	1.0
179.10699	10.3
182.15375	5.6
183.18480	0.8
189.09120	13.8
189.61765	0.9
194.03006	0.8
196.22885	1.0
201.12732	3.2
207.10170	5.3
209.16550	4.8
210.14949	4.2
216.65750	1.1
219.08051	0.9
219.13966	1.0
220.14938	2.9
220.64914	0.9
229.15433	7.6
229.65526	2.3
231.08122	1.4
239.20546	0.8
248.16100	2.7
266.17203	1.1
267.15491	3.5
270.19440	2.2
273.09030	1.2
274.18085	1.0
276.07800	1.5
279.19995	1.9
287.71884	10.1
288.22040	1.1
290.09515	1.7
291.10034	2.3
291.17053	1.2
292.15070	0.9
292.69186	1.2
301.08755	1.0
304.07367	1.0
305.08176	1.0
308.10519	1.0
310.72375	1.1
314.20862	1.0
319.09720	6.5
320.10501	1.1
323.14963	1.7
324.22726	2.7
333.13425	1.4
333.23279	2.8
333.73422	1.6
340.18518	1.6
342.23978	12.9
342.74249	5.9
348.26001	1.3
351.14328	5.2
351.24460	100.0
351.74591	43.5
354.59763	0.9
357.21466	1.3
358.19708	2.5
365.28741	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
55.01847	3.7
55.05258	1.9
55.05505	20.9
57.03190	1.5
57.03435	14.3
57.07051	5.0
58.25002	1.1
59.04975	1.5
61.84171	1.1
65.03918	3.1
67.05500	64.3
69.03418	1.5
69.07068	20.9
69.07440	1.1
69.73438	4.4
69.73854	2.6
70.07344	1.2
71.04984	2.8
71.08620	17.3
75.04467	3.8
77.03917	1.8
79.05487	79.0
80.05830	1.2
80.54823	1.1
81.03401	3.1
81.07052	69.7
83.04961	4.8
83.08624	8.9
85.06521	4.9
86.06089	5.8
91.05473	59.0
93.07037	100.0
94.07336	1.9
95.04958	9.7
95.08598	49.7
97.06517	6.6
97.10129	5.4
99.08079	13.5
105.07025	56.9
106.07310	1.3
107.04945	2.7
107.08589	57.9
109.06498	4.5
109.10146	17.9
111.08063	2.8
113.09629	2.0
117.06998	13.8
117.81973	1.7
119.08575	53.8
121.06494	1.9
121.10136	45.3
123.08006	3.5
123.11667	5.1
125.09599	3.4
126.97142	1.2
127.11176	1.4
128.06152	2.5
129.05463	1.9
129.07001	11.5
131.08559	20.7
133.09102	2.1
133.10120	48.3
135.08046	3.0
135.11673	48.7
137.09589	3.3
139.11111	1.4
142.07777	1.6
143.08533	10.3
144.09251	1.3
145.10124	23.0
146.10428	1.3
147.08063	1.7
147.11678	46.2
149.09615	4.1
149.13245	28.6
151.11163	7.0
157.10129	10.8
159.11676	19.1
161.09576	1.7
161.13254	37.8
162.13602	1.4
163.11166	5.2
163.14824	11.8
165.12714	2.8
171.11681	13.4
173.13205	10.6
175.11168	2.6
175.14827	18.6
177.12743	4.8
179.14305	24.3
185.13286	13.2
187.14832	3.7
189.12755	2.9
189.16373	1.8
195.13770	1.4
197.13252	1.3
199.14813	7.5
203.14305	1.9
204.09265	1.5
207.08011	2.1
207.13777	1.9
213.16408	4.0
214.63411	1.2
215.17981	1.4
217.19563	4.7
219.08134	1.6
221.15332	2.4
231.17398	3.2
231.21017	9.1
232.08817	2.5
235.07533	7.7
235.16905	1.4
241.19498	38.0
246.06924	1.5
246.09105	5.8
247.07509	5.9
247.09941	10.5
248.08362	1.8
249.09058	1.7
259.07510	4.0
259.20560	92.8
260.08215	1.5
260.20923	4.2
261.09116	2.3
262.09482	4.5
263.06967	25.6
263.09464	23.8
277.08649	3.3
277.21594	27.0
278.09293	24.6
278.11810	25.6
293.11685	46.8
305.10471	19.0
320.12772	32.9
333.24167	11.2
351.25272	65.6
352.15524	2.8
352.25455	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	17.1
69.03414	1.5
70.06586	0.7
70.75280	2.1
71.95251	0.8
79.17520	0.5
84.08146	1.0
84.96041	2.6
85.02888	1.5
97.02883	1.4
97.81857	0.6
98.20807	0.6
98.97581	100.0
99.97910	0.9
110.97549	8.2
112.99153	1.7
116.98616	48.5
119.01788	0.6
127.03915	0.7
128.98618	9.9
131.00191	2.5
134.99661	16.6
139.03966	0.6
139.07419	0.5
140.00186	2.1
140.98575	0.7
143.00146	2.1
145.01726	1.4
146.99612	4.3
147.03261	2.5
149.01180	1.0
152.98587	1.2
153.00688	1.3
158.01274	1.1
158.99654	35.6
161.01212	3.0
161.02954	0.6
162.99117	1.0
163.02734	1.2
165.00777	0.6
165.04350	1.8
170.99638	4.7
171.03285	4.1
175.02818	0.7
177.00710	42.8
178.01172	0.8
185.06798	0.6
186.04370	0.6
189.00726	3.2
189.04323	11.1
195.01775	2.3
200.02319	2.2
201.00710	2.4
207.01727	0.9
207.05386	2.6
219.01758	14.3
219.05188	0.8
231.01608	0.7
231.05400	2.0
233.06879	0.8
237.02815	25.8
241.60947	0.5
243.05487	0.8
249.06464	0.8
255.03880	2.2
260.04489	0.7
265.89700	0.7
291.04840	0.4
291.07483	27.0
309.08545	74.8
310.08902	2.5
332.10162	4.6
351.09616	30.1
352.09985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1386
Annotation	2-(Biaryl)carbapenems
Peak:m/z	Relative Intensity
67.05492	1.3
69.07037	1.8
71.04935	0.7
71.63726	1.0
79.05477	1.7
81.07039	1.5
91.05447	2.1
93.07047	1.7
94.07316	0.7
95.08584	1.2
100.23779	0.6
103.53955	0.7
103.66254	0.6
105.07017	1.7
107.04907	0.8
133.10135	1.2
178.07771	9.7
189.06949	3.8
190.07796	3.2
191.08485	2.2
192.09273	1.0
202.07701	2.2
203.08443	1.2
205.06462	2.2
206.07291	12.5
208.08855	4.0
217.06488	1.4
218.07253	5.8
219.08002	2.6
220.08821	0.9
221.09616	47.6
222.09988	1.7
223.11101	4.1
231.10399	1.6
233.09595	2.7
234.06754	11.0
235.07500	1.6
236.08334	2.8
237.09052	0.7
247.07582	2.8
248.08334	1.5
249.09109	31.0
250.09534	1.2
251.10648	2.4
259.09836	0.7
261.09094	1.0
263.07065	1.2
264.07813	2.9
274.12311	3.2
276.20425	2.0
277.08481	1.6
279.10165	100.0
280.10568	4.0
287.09470	2.1
288.10175	0.9
289.11081	0.8
300.10138	2.5
301.10806	0.9
302.08328	0.9
302.11682	3.4
303.10150	1.5
306.11227	17.2
307.11624	0.8
315.08963	1.4
316.09692	2.3
317.10403	2.2
330.11234	7.5
332.12796	52.8
333.13171	1.7
346.43472	0.8
350.06903	1.7
350.13876	40.1
350.23792	1.3
351.14307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91433	2.1
69.83582	4.3
69.83984	6.3
88.75880	1.8
90.06167	2.1
98.21385	3.0
98.97559	4.7
101.00887	2.1
103.94508	1.9
119.01923	5.4
133.03471	5.1
144.79207	1.9
171.04993	10.6
173.02907	3.5
220.12851	2.1
243.01871	2.4
249.08298	2.6
260.87677	2.0
261.08246	2.3
278.30444	2.2
351.06839	100.0
351.12228	19.7
352.07101	2.1
358.29575	2.7
361.17963	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05519	2.8
55.05728	0.8
57.07073	4.7
67.05499	4.4
69.07056	3.5
71.04961	0.6
71.08638	2.5
79.05490	3.5
81.07050	6.7
83.08592	0.7
85.06557	3.1
91.05440	2.0
93.07044	3.5
95.04939	1.1
95.08600	5.9
97.06531	0.5
99.08087	1.6
105.07024	3.8
106.33151	0.5
107.08575	2.9
109.06517	20.4
109.10177	2.1
111.08073	1.1
117.83751	0.5
119.08595	3.6
121.10115	3.2
122.07262	2.2
123.08067	25.5
123.11700	1.0
131.08557	1.5
133.10106	2.5
135.08041	3.9
135.11671	0.8
136.08850	0.7
137.09538	1.0
143.08592	0.5
145.10092	1.7
147.11711	2.1
149.09615	0.6
149.13284	0.8
157.10080	1.1
159.11646	1.1
161.13254	0.8
165.12746	0.7
167.14316	0.8
171.11700	0.5
173.13243	1.0
175.14696	0.7
179.14304	100.0
180.14668	2.9
183.11737	0.5
185.13268	0.8
189.12790	0.5
193.15973	2.6
201.12820	0.4
216.35591	0.5
266.05576	0.6
289.25125	0.5
331.26407	2.9
343.51031	0.4
349.27386	78.3
350.27811	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01894	0.5
55.05507	4.9
56.43125	0.4
57.03419	0.4
57.07065	1.3
67.05504	5.0
69.07069	7.6
71.04971	1.0
71.08612	0.5
71.09968	1.0
73.06538	0.7
79.05499	3.2
81.07054	7.5
82.21264	0.4
83.04969	0.9
83.08607	4.2
85.06525	0.5
86.12951	0.4
91.05474	1.4
93.07032	5.1
94.83540	0.4
95.04977	0.6
95.08605	7.2
97.06513	2.2
97.10152	1.1
105.07040	2.7
107.08590	4.2
109.06512	9.0
109.10152	2.6
111.08056	2.2
117.06995	0.7
119.08569	3.2
121.10144	3.7
122.07268	0.6
123.08063	54.1
123.11716	1.7
124.08388	0.9
131.08578	0.8
133.10159	2.5
135.08035	4.1
135.11688	1.9
137.09607	3.8
137.13252	0.6
145.10085	1.3
147.11693	1.7
149.09586	0.5
149.13234	1.6
151.11176	0.7
159.11693	1.4
161.13268	1.2
163.11189	0.5
165.12724	0.7
167.14359	1.0
173.13300	0.6
179.14305	10.0
179.16740	0.4
198.65207	0.4
215.17868	0.5
233.18921	0.7
275.20178	1.7
284.29700	0.4
289.25241	0.9
293.21100	16.7
331.26294	3.2
349.27362	100.0
350.27756	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01851	0.7
55.05512	3.2
57.07076	5.3
65.03925	0.9
67.05500	4.3
69.03423	0.6
69.07068	5.0
71.08607	2.7
71.11362	1.6
79.05058	0.6
79.05474	4.0
81.07051	8.2
81.67117	0.5
83.04962	0.7
83.08584	1.0
85.06530	2.8
91.05490	3.9
93.07036	4.4
95.00750	0.6
95.04993	1.0
95.08602	7.3
97.06529	1.5
97.10131	0.8
99.08073	1.9
100.77492	0.6
105.07027	4.4
107.08588	4.7
109.06515	18.9
109.10140	2.6
119.08560	3.3
121.01864	0.6
121.10144	3.2
122.07283	2.1
123.08070	24.1
131.08563	1.3
133.10120	2.5
135.08054	4.2
135.11647	0.8
137.13246	0.7
143.08527	1.4
145.10124	2.1
147.11658	1.7
149.09630	1.6
151.14781	0.7
155.08545	0.7
157.10181	0.7
159.11656	1.6
161.13232	1.2
163.11169	1.1
165.12753	0.9
167.14270	0.8
169.09845	0.6
173.13226	0.7
179.14304	100.0
180.14636	2.0
183.11661	1.3
184.12050	1.2
193.15903	2.7
195.02299	0.5
211.14885	0.8
215.17825	0.6
218.10658	0.7
224.60606	0.5
229.12141	1.1
230.12566	2.7
275.20151	2.6
290.14645	0.8
291.21164	0.6
322.47232	0.6
331.26434	2.8
349.27399	81.7
350.27698	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03173	0.9
53.02386	1.1
55.05503	7.1
57.03411	2.3
57.07062	2.5
65.23212	1.1
67.05505	14.2
69.07062	16.4
71.66087	1.9
72.78419	1.2
77.03928	1.2
79.05480	14.8
81.07049	26.0
83.04974	2.5
83.08618	5.4
85.06517	1.7
91.05465	16.6
92.37292	1.1
93.07040	19.6
95.04905	2.9
95.08028	1.7
95.08603	23.4
97.06513	4.7
97.10136	2.2
105.07022	37.3
106.07291	1.4
107.04945	2.1
107.08585	26.3
109.06504	6.3
109.10156	10.1
111.08054	1.4
115.05441	1.3
117.07013	9.9
117.57395	1.3
119.07771	1.8
119.08566	23.6
121.06463	3.3
121.10143	10.9
121.58555	1.0
121.61610	1.0
123.08070	6.9
123.11692	2.5
125.09600	1.4
128.06197	2.2
129.06999	5.2
131.08560	18.4
132.08826	1.3
133.06450	1.1
133.09186	1.6
133.10112	12.9
135.08026	4.1
135.11676	6.0
137.09557	4.5
141.06960	2.3
142.07756	2.4
143.08539	11.6
144.09280	4.9
145.09036	1.4
145.10120	21.9
147.07924	1.5
147.11679	16.8
149.09610	4.2
149.13246	5.1
155.08559	8.1
156.09248	3.5
157.10135	17.1
158.07326	1.2
158.10695	2.1
159.11681	51.2
159.13013	2.7
160.11943	1.8
161.09526	3.1
161.13226	12.0
163.11163	3.0
163.14777	2.3
165.06946	1.7
165.26018	1.1
167.08543	2.1
168.09401	1.5
169.10098	8.5
170.10851	1.5
171.07979	2.0
171.11705	10.7
173.09540	1.4
173.13260	9.8
175.11176	1.4
175.14767	2.9
179.08621	1.7
179.14326	8.2
181.10072	4.3
182.10873	1.3
183.11658	8.7
184.12115	2.6
185.13210	5.4
187.11172	3.5
187.14775	4.4
189.11209	1.4
189.12723	7.7
191.14290	1.7
193.10065	3.0
194.10823	2.5
195.11624	7.8
196.12378	1.6
197.13316	8.7
199.11136	2.0
199.14786	7.0
201.12688	2.9
201.16319	4.3
201.18224	1.1
203.14319	2.8
207.11604	4.0
208.12430	1.9
209.13225	8.3
210.13918	1.3
211.11270	1.8
211.14789	6.1
213.12584	3.0
213.16286	3.7
219.11693	1.6
220.12427	1.6
221.13193	4.6
222.13928	1.6
223.14787	8.9
225.16325	3.6
227.14354	1.5
227.17935	2.6
230.12599	2.6
233.13213	3.1
235.14877	2.6
237.12706	2.7
237.16319	9.4
239.14255	3.4
239.17860	4.0
241.15857	2.1
247.14737	1.5
249.16324	2.0
251.17961	6.9
252.18657	5.8
253.15930	2.2
253.19293	2.1
255.17279	1.4
261.16306	2.9
263.17908	3.3
265.15964	1.5
265.19476	6.7
269.18710	1.6
273.16177	1.2
275.17520	1.4
275.20279	5.3
277.19498	1.3
279.17407	3.1
279.20703	1.7
289.19418	1.9
291.21021	3.5
293.16141	1.1
293.18915	6.4
293.21854	1.9
303.20923	1.4
307.20425	4.3
321.22049	2.8
321.25638	11.8
331.24106	8.5
349.25131	100.0
350.25488	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	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01868	3.5
55.05506	24.1
57.03426	5.7
57.07078	8.7
60.04523	4.6
65.03975	3.2
67.05500	51.0
69.03435	6.2
69.07067	26.2
70.58668	15.3
71.04983	5.2
77.03938	3.9
79.05482	42.9
81.07046	68.6
83.04973	6.9
83.08619	13.6
91.05476	57.4
93.03370	3.7
93.07040	77.1
95.04951	27.0
95.08599	66.9
95.95403	3.5
97.06524	14.0
97.10159	3.8
101.83726	3.4
103.05481	6.3
105.07024	100.0
107.08586	62.0
109.06524	19.6
109.10145	48.1
111.08032	4.9
115.05486	4.9
116.06243	5.3
117.07031	25.1
119.08576	98.5
120.35072	3.7
121.06507	12.6
121.10139	81.2
123.08046	27.2
123.11704	23.5
128.06229	14.6
129.07045	17.5
130.07738	8.0
131.08563	56.5
133.10126	59.7
135.08101	12.1
135.11694	19.9
137.09645	6.2
141.06975	6.7
142.07768	20.0
143.08568	40.3
144.09308	12.3
145.10114	65.3
147.08064	9.9
147.11682	28.8
149.09613	11.1
149.13277	9.7
153.07062	3.9
154.93996	3.7
155.08591	17.0
156.09335	16.8
157.10143	54.2
158.10811	4.7
159.08102	5.6
159.11661	36.2
161.09645	21.8
161.13197	17.6
165.06937	5.0
167.08566	7.6
168.09332	8.3
169.10078	29.1
170.10841	5.4
171.11641	29.6
172.12506	5.3
173.09601	7.8
173.13257	24.8
175.11150	6.3
175.14835	15.7
179.08603	10.9
179.14282	34.4
180.09265	5.2
181.10133	15.1
182.10860	9.6
183.11671	27.5
184.12111	9.4
185.09633	6.3
185.13284	19.9
187.14760	25.1
189.12793	6.0
193.10199	5.8
194.10861	7.0
195.11694	23.5
196.12468	6.2
197.13206	20.4
199.14833	11.9
201.12877	3.2
201.16293	5.2
207.11700	9.0
208.12445	5.0
209.13240	25.4
210.14003	6.1
211.14854	14.4
213.12720	7.7
213.16376	7.1
221.13290	6.5
223.14819	14.3
225.12784	7.2
225.16354	9.8
227.14330	14.1
229.12134	4.4
229.15962	4.8
230.12579	9.2
233.13263	5.2
239.17929	8.4
242.85266	3.7
251.17908	9.4
255.17355	5.2
261.16327	5.3
265.19547	5.9
266.20386	4.1
275.20163	5.4
279.17429	8.1
279.20950	5.1
289.78455	3.6
293.18732	6.3
321.25638	17.9
331.24243	11.2
349.18378	6.0
349.24652	90.8
350.25208	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.5
55.05506	27.5
57.07053	3.8
59.47105	4.6
63.57685	3.7
65.03925	3.5
65.61301	3.0
67.05503	47.3
68.23454	3.9
69.03425	5.8
69.07068	28.3
71.04994	6.5
71.55045	7.7
75.86501	3.6
79.05488	36.1
81.07054	56.4
83.04958	5.4
83.08617	11.0
91.05479	70.2
93.07041	86.7
95.04969	40.6
95.08598	69.9
97.06509	9.6
102.01968	3.3
105.07024	100.0
107.08587	68.4
109.06507	21.2
109.10148	52.6
111.08128	4.8
115.05424	4.9
115.48058	3.4
117.07011	21.1
119.08574	98.4
121.06497	5.7
121.10131	85.5
123.08076	16.4
123.11707	22.7
128.06238	13.3
129.07022	20.0
130.07800	8.4
131.08560	62.4
133.10123	69.6
135.08051	10.3
135.11703	22.6
137.09596	5.2
141.07024	10.7
142.07780	24.1
143.08546	44.5
144.09329	13.0
145.10114	69.1
147.08095	10.3
147.11705	23.6
149.09639	6.5
154.07666	3.7
155.08549	16.8
156.09358	17.0
157.10124	56.0
158.07315	5.7
158.10796	5.9
159.11716	30.5
161.09616	23.2
161.13237	15.0
163.11174	4.8
165.06920	5.1
167.08629	7.0
168.09337	5.3
169.10083	29.9
170.10893	12.4
171.11717	36.5
172.12465	7.4
173.09778	6.9
173.13263	27.4
175.11275	6.7
175.14777	17.4
179.08505	11.8
179.14272	16.5
180.09352	6.2
181.10133	15.9
182.10863	10.1
183.11674	26.3
184.12447	5.5
185.13330	20.1
187.14842	18.4
189.12715	4.4
193.10106	6.1
194.10913	12.9
195.11627	21.7
196.12517	5.3
197.13237	16.2
199.11168	4.7
199.14877	13.3
200.15541	4.4
201.16380	6.1
207.11688	5.9
209.13275	28.3
210.14046	8.4
211.14771	15.2
213.12839	4.4
213.16385	11.5
215.96710	5.1
223.01604	3.4
223.14853	12.7
225.16364	10.6
227.14207	14.2
227.17868	3.7
233.13290	5.9
235.14850	4.1
237.16414	10.0
239.18008	13.6
240.18649	3.9
249.16322	5.4
251.17824	8.6
253.16014	4.0
253.19490	7.1
255.17462	5.2
255.74866	4.2
265.19473	5.3
266.20398	4.5
279.17468	4.1
293.18878	5.8
321.25897	6.3
331.23956	8.2
349.24973	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09446	2.7
51.39992	2.6
53.03938	19.1
55.01654	2.3
55.01871	25.4
55.05263	3.4
55.05508	47.8
57.03434	22.3
65.03933	4.6
67.05499	97.4
69.03425	3.4
69.06715	4.2
69.07065	58.7
70.99703	4.2
71.00048	5.6
71.04987	6.3
79.05486	98.0
81.03408	21.3
81.07055	93.2
83.04971	33.5
83.08625	15.0
85.06519	4.9
87.51445	2.6
91.05473	76.2
92.80633	3.1
93.06464	5.2
93.07042	91.9
95.01340	14.9
95.04952	25.1
95.08601	52.9
97.06527	27.9
97.10175	8.2
99.08088	2.8
103.05486	4.2
105.07027	100.0
107.04953	42.2
107.08588	57.3
108.08862	2.8
109.06506	10.5
109.10144	22.3
111.08043	6.4
113.09648	2.6
117.07010	32.6
119.07790	4.1
119.08579	59.6
121.06492	11.8
121.10145	22.4
123.04430	2.8
123.08064	13.4
123.11710	3.7
125.09641	16.5
129.06973	9.6
131.08563	39.0
133.06520	3.4
133.10118	55.6
134.10405	2.5
135.08018	7.7
135.11676	17.9
137.09637	4.1
141.06950	4.7
143.08534	11.6
145.06458	6.3
145.10127	34.0
147.11673	30.2
149.09610	41.5
149.13228	9.3
155.08537	4.4
157.10126	8.5
159.11668	23.9
161.09656	3.6
161.13223	10.1
163.11230	4.9
163.14821	5.3
169.10071	4.7
171.11665	4.7
173.11909	3.3
173.13231	16.2
175.11147	3.2
177.12785	9.1
179.14316	22.5
183.11708	7.5
184.12016	7.5
187.11110	7.8
197.13319	3.3
229.19516	6.4
230.12608	7.1
239.17935	5.3
247.20604	7.2
257.19086	13.9
267.72198	2.7
275.20078	65.0
276.20547	4.1
293.21173	3.9
336.29300	2.9
349.23746	74.4
360.31940	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	20.6
55.01873	18.5
55.05511	30.0
57.03433	18.5
65.03921	5.4
67.05173	4.7
67.05504	76.4
69.07067	73.4
69.82043	4.8
69.82452	12.7
71.04972	4.3
74.34534	2.2
79.05057	4.2
79.05491	61.3
81.03416	34.5
81.07052	98.4
82.07338	3.4
83.04969	15.1
83.08624	11.3
85.06504	3.4
91.05479	80.9
93.06469	3.7
93.07040	66.0
94.07366	3.0
95.01314	21.3
95.04968	23.8
95.08600	61.7
97.02898	2.2
97.06517	25.3
97.10170	5.7
103.05434	2.9
105.07026	100.0
107.04274	4.0
107.04949	51.0
107.08595	27.4
109.06518	9.7
109.10140	13.8
111.08051	5.6
117.07012	24.2
119.04910	2.5
119.08572	55.0
121.06457	7.3
121.10088	11.1
123.04418	3.7
123.08048	14.3
123.11649	4.1
125.09595	2.7
129.06955	5.9
131.08569	39.6
133.10132	59.1
135.08025	6.5
135.11688	15.3
137.09602	4.0
141.06967	5.0
143.08554	6.2
145.06497	6.3
145.10123	30.9
147.11678	28.3
149.09641	13.4
149.13243	11.7
151.11201	2.8
155.08519	4.3
157.10153	7.1
159.08081	4.0
159.11681	27.7
161.09634	2.8
161.13246	9.9
163.11119	7.1
165.09152	3.8
169.10098	6.8
171.11652	4.2
173.13240	5.7
177.12706	12.8
179.14290	32.1
184.12140	2.4
187.11147	9.2
187.14806	2.8
195.13812	3.2
197.13304	3.4
202.55174	2.7
205.12263	3.9
229.19464	5.0
239.17882	3.2
241.14285	4.1
247.20564	4.7
257.19046	11.2
275.20035	70.5
276.20435	4.1
349.23730	43.6
349.27618	2.7
350.24045	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01856	4.6
55.05257	1.1
55.05509	14.7
57.03436	15.6
57.07058	3.1
60.81618	1.0
65.03925	1.5
67.05161	1.6
67.05498	28.5
69.03419	1.4
69.07059	20.8
69.80261	7.6
71.04988	1.3
77.03922	1.2
79.05053	1.5
79.05488	24.7
81.03380	1.2
81.07050	34.0
82.07360	1.3
83.04976	8.8
83.08595	4.6
85.06475	1.5
86.96259	1.0
91.05477	25.6
93.07040	37.9
95.04961	9.7
95.08604	21.4
97.06515	4.3
97.10161	2.8
105.07023	33.6
107.04943	11.2
107.08593	22.2
109.06512	13.7
109.10148	9.0
111.08073	1.8
117.07004	11.2
119.08568	16.6
121.06493	14.8
121.10135	10.1
123.08040	7.0
123.11674	3.6
125.09615	1.2
129.06989	3.8
131.08571	21.4
133.06505	3.2
133.10129	20.6
135.08057	6.2
135.11664	4.6
137.09601	2.7
141.06946	1.7
143.08548	4.3
145.06442	2.8
145.10130	16.2
147.08078	5.0
147.11678	12.0
149.09645	7.3
149.13260	3.7
151.11198	7.0
155.08629	2.5
157.10138	3.7
159.08009	2.3
159.11682	9.8
161.09590	5.2
161.13229	4.2
163.11143	7.3
163.90881	1.2
165.12740	1.2
169.10008	1.5
171.11676	2.9
173.09596	4.3
173.13260	7.3
175.11191	3.1
177.12659	2.8
181.06310	1.1
183.11649	3.0
184.12097	2.1
185.13205	1.4
187.11156	2.7
187.14877	1.6
191.14233	2.9
197.13219	1.9
201.12729	3.9
207.13785	3.4
213.16418	1.5
215.14265	1.8
215.17932	1.9
219.13802	5.4
229.19482	3.7
230.12614	2.8
231.17538	1.2
233.18961	1.4
239.17917	4.1
247.20602	5.4
257.16467	1.8
257.18982	14.2
275.20053	100.0
276.20392	4.8
293.21088	7.1
349.17249	1.4
349.23697	30.8
350.24048	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	22.8
55.01875	22.1
55.05512	30.9
57.03442	24.1
60.04512	5.4
62.01511	3.2
65.03944	5.4
67.05505	75.7
69.03433	4.4
69.06720	5.3
69.07070	67.0
69.48309	29.8
79.05063	5.0
79.05491	71.8
81.03416	34.5
81.07056	94.6
83.04972	14.1
83.08615	9.4
91.05476	77.9
93.07044	62.2
95.01312	28.0
95.04975	23.8
95.08608	63.2
97.06528	35.3
97.10172	5.3
103.05447	5.3
105.07028	100.0
106.07355	4.5
107.04958	43.8
107.08593	38.2
109.06503	7.1
109.10155	11.4
111.08054	5.2
117.07040	27.2
119.04941	2.9
119.08578	53.1
120.08929	3.1
121.06489	6.9
121.10138	14.9
123.04460	3.5
123.08068	10.9
125.09650	5.6
128.06161	4.1
129.06985	7.2
131.08565	47.6
132.08932	6.4
133.06430	3.9
133.10129	64.8
135.08086	5.8
135.11722	15.0
137.09590	5.2
141.07033	6.6
142.07756	4.2
143.08528	9.2
144.09010	5.2
145.06483	10.5
145.10127	40.2
147.11685	24.4
149.09624	11.8
149.13240	11.3
155.08542	8.6
157.10146	12.5
159.11671	22.7
161.13225	9.1
163.11165	5.9
168.09274	5.5
169.09904	12.4
171.11673	9.1
173.13268	8.0
174.13609	3.3
177.12737	13.3
179.14337	30.0
183.11674	23.7
184.12015	35.9
185.13261	4.4
187.11209	9.9
188.07852	4.0
201.12766	4.8
202.13133	11.6
205.12210	4.2
212.11520	8.2
229.12202	19.6
229.19556	3.6
230.12582	44.9
239.18004	6.9
257.19049	15.8
275.20068	69.9
276.20517	3.6
290.14716	8.4
335.04282	8.7
349.18390	10.3
349.23691	36.3
350.06561	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	349.1492
Annotation	Deutziol
Peak:m/z	Relative Intensity
53.03942	4.9
55.01867	5.0
55.05508	2.0
56.05014	1.3
57.03419	2.8
63.27886	1.1
67.05500	5.9
69.03428	22.5
69.07037	1.7
70.06577	4.9
71.01348	2.2
71.04975	3.7
71.64198	1.2
72.08149	2.2
78.16461	1.3
79.05489	4.3
81.03419	13.9
81.07052	18.0
83.04990	2.4
84.04497	2.6
84.08150	4.6
85.02905	16.4
86.09702	2.8
91.05479	3.0
93.07034	4.9
95.04942	3.3
95.08601	32.3
97.02888	100.0
97.06518	4.7
99.04441	6.3
99.08073	2.3
105.07020	6.7
107.08606	3.0
109.02879	21.3
109.06503	3.5
111.04438	3.3
117.85140	1.3
119.08508	1.4
120.08149	1.5
121.38769	1.2
123.08058	54.6
125.05960	11.0
127.03918	27.3
129.10237	1.6
130.06532	1.6
131.38745	1.3
132.08072	1.8
133.06471	4.1
139.03874	1.5
141.09088	9.5
145.04965	4.1
145.06520	1.6
145.08537	2.0
147.04393	1.8
148.07623	1.6
151.07533	61.3
152.06241	1.5
153.07011	1.5
159.04440	2.7
161.05959	1.5
162.05457	2.2
163.03908	6.5
169.08600	20.2
171.08127	1.7
173.06026	1.9
175.07539	2.0
176.07031	10.3
177.67589	1.7
178.08539	1.4
187.06001	1.9
187.09653	23.1
188.07217	1.6
203.03436	1.9
203.06908	2.1
204.06619	2.4
205.04955	2.1
217.08577	2.4
221.04582	2.2
221.06570	3.1
222.07603	4.7
227.06836	1.3
245.08070	5.5
331.13181	1.5
349.09076	4.0
349.14502	1.7
350.12238	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	3.0
53.03935	7.7
55.01870	24.9
55.05252	4.1
55.05507	47.6
57.03433	25.0
59.04979	3.5
65.03928	4.4
67.05502	73.5
69.07066	52.8
71.04988	5.0
79.05487	100.0
81.03402	7.2
81.07053	72.7
83.04958	12.8
83.08607	17.5
85.06549	4.7
91.05477	76.2
93.07038	66.0
95.01337	3.2
95.04939	15.8
95.08603	37.4
97.06530	28.0
97.10176	16.1
105.07024	83.6
107.04954	32.2
107.08586	90.6
109.06490	11.9
109.10143	25.1
109.17839	2.6
111.08082	5.3
117.07030	27.3
119.08582	51.0
121.06511	10.8
121.10154	23.8
123.04427	3.5
123.08042	5.3
123.11698	4.9
125.09641	15.7
129.06985	8.3
130.07762	5.6
131.08571	43.1
133.10121	50.7
135.08055	10.8
135.11642	12.3
137.09619	4.2
141.06998	6.1
143.08577	12.8
145.06509	2.5
145.10112	77.9
146.10504	4.3
147.11674	44.3
149.09619	27.1
149.13184	4.8
149.75169	2.7
151.11168	4.3
155.08559	5.7
157.10136	5.6
159.11687	27.8
161.09547	3.5
161.13261	13.1
163.11147	12.0
163.14778	2.8
169.10097	5.9
171.11729	10.8
173.11971	3.0
173.13242	14.8
177.12685	6.5
178.15906	3.5
179.14345	7.2
183.11694	7.7
187.11215	5.6
187.14670	3.0
189.11163	12.4
197.13237	7.0
199.14906	3.0
215.14369	3.4
219.13556	3.1
229.19472	4.9
236.16479	6.3
239.17972	17.5
247.20592	6.4
257.18997	48.8
258.19537	3.1
274.28973	2.7
275.20053	98.3
276.20325	7.3
293.20859	3.2
306.24365	6.7
331.22644	4.7
332.25864	2.6
349.23746	93.8
349.28210	4.8
350.24033	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	348.2742
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03932	0.6
55.01854	0.6
55.05504	3.1
56.05034	3.3
57.03432	0.7
58.06591	0.9
58.26347	0.4
60.04523	100.0
67.05499	10.0
68.05032	0.9
68.79633	0.5
69.07055	3.3
70.06596	1.4
71.65457	1.0
72.04504	2.8
74.06082	1.9
79.05487	8.0
80.05012	0.9
81.03431	0.7
81.07051	10.2
82.06575	1.5
83.05020	0.8
83.08627	1.4
84.04504	1.1
85.02917	0.6
85.06579	0.7
90.05570	0.7
91.04935	0.9
91.05470	7.9
93.07041	9.3
94.06578	1.0
95.04971	1.7
95.08604	6.4
96.08117	1.1
96.10148	0.5
97.06519	1.2
100.07608	0.8
105.07027	4.6
107.08596	4.2
108.08106	0.6
109.10164	3.5
116.07088	0.6
117.07017	2.0
118.23402	0.4
119.08548	3.9
120.08121	0.8
121.06524	0.8
121.10155	3.1
123.11714	1.2
124.07561	0.7
129.06982	1.9
131.08537	2.4
133.10104	2.8
134.09587	0.6
135.11691	2.1
143.08516	1.4
145.10132	1.7
147.08014	0.6
147.11682	1.4
149.13234	1.2
150.18117	0.6
157.10089	1.0
159.11703	0.6
161.13237	1.0
162.28893	0.5
178.58154	0.5
183.11707	1.0
203.17995	0.7
229.12227	0.6
241.19432	0.7
259.20465	1.2
264.23245	0.6
276.23251	3.2
294.24295	6.1
312.25330	10.4
323.13031	0.5
330.26370	50.4
331.26715	2.2
348.27405	23.3
349.27765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55038	1.3
53.03932	3.8
54.74805	1.2
55.01859	3.5
55.05506	1.8
55.83980	1.2
56.00479	1.2
57.03424	2.3
59.66095	1.1
60.04512	2.4
61.02914	2.2
62.80365	1.2
67.05486	5.7
69.03077	1.5
69.03424	18.9
70.06571	4.8
71.04975	5.0
71.64433	1.6
72.08127	2.3
79.05482	4.6
81.03419	12.7
81.07050	16.0
84.08138	3.5
85.02895	14.9
86.09705	3.1
87.04494	1.9
91.05466	3.4
93.07034	3.3
95.04968	1.4
95.08607	27.3
97.02885	100.0
97.06522	5.3
99.04436	6.8
105.06996	5.5
106.54440	1.5
107.08587	3.6
109.02872	17.0
109.06528	2.6
111.04488	2.1
119.04986	2.4
123.08058	36.6
123.30095	1.2
125.06007	6.8
127.03913	19.2
131.04956	1.6
133.06476	3.6
139.03842	1.6
141.09064	7.7
145.04942	4.5
145.08640	1.3
147.04379	3.1
151.07535	55.3
161.05917	1.8
163.03838	2.8
169.08585	13.8
169.12180	1.4
175.07407	2.1
176.07076	3.1
187.06090	1.9
187.09651	22.0
217.08658	2.3
234.98860	1.6
245.08055	2.4
295.12003	1.4
303.05264	1.5
331.13049	1.8
349.08981	5.6
349.19775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
60.04521	8.5
67.05471	0.9
69.03440	1.6
69.07082	1.0
70.02396	0.7
70.06581	1.2
71.02762	1.4
71.03082	1.4
79.05489	3.5
81.07054	5.9
91.05470	6.4
93.03162	0.9
93.07044	5.6
95.04950	1.7
95.08611	1.3
99.05708	0.9
105.07032	9.1
107.04970	1.4
107.08593	12.2
109.02874	1.0
109.06524	1.1
115.05466	2.8
117.07013	4.1
119.04950	1.6
119.08537	4.8
121.06530	2.0
122.69907	0.9
128.06235	5.3
129.06998	4.6
131.04913	1.2
131.08557	12.7
133.06494	2.1
133.10127	3.6
141.07008	4.5
142.07773	7.4
143.08551	12.1
144.09279	1.3
145.06488	4.7
145.10132	5.2
147.08018	0.9
149.05962	1.6
153.06949	5.7
154.07771	1.2
155.08548	14.0
157.10121	12.9
158.10872	1.0
159.04410	2.4
159.08066	7.7
159.11708	5.2
160.08716	0.9
161.05975	1.5
165.06886	1.0
166.07709	1.3
167.08592	1.7
168.09337	23.6
169.10014	2.6
171.08041	1.1
172.08870	1.4
173.05989	6.3
173.09653	3.4
173.13290	7.2
175.07533	0.9
175.11110	1.4
177.31061	0.7
178.07782	1.0
181.06454	1.2
181.10130	3.2
183.11690	59.7
184.12067	1.3
185.09622	2.1
185.13306	1.7
186.10425	1.4
187.07558	5.4
187.11240	2.0
189.09064	1.1
193.10149	4.4
196.08870	2.3
199.11411	1.0
200.08287	1.2
200.14391	1.4
201.09151	2.0
201.12733	24.2
211.11182	13.2
228.13899	1.8
229.12227	100.0
230.12631	4.5
246.14764	4.4
247.13303	2.3
261.09625	0.8
288.15933	3.9
289.14288	8.8
306.16943	2.6
348.18051	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1765
Annotation	Leu-Thr-Asp
Peak:m/z	Relative Intensity
50.53265	1.8
53.91090	2.0
55.01848	2.7
56.05022	8.6
57.01357	1.6
57.03428	4.0
58.06585	6.5
58.32559	1.8
61.02923	2.7
61.33941	2.0
64.90998	1.8
65.36419	1.9
67.85053	1.9
69.03424	9.0
70.00100	10.9
70.02950	3.5
70.06596	2.5
71.05006	1.9
72.08142	3.0
74.06082	45.7
81.03413	3.1
82.06576	4.7
84.04507	27.5
84.08131	3.0
84.27987	1.8
85.02904	34.9
86.09707	53.8
88.03503	2.0
88.03996	24.6
91.03934	2.1
96.04437	1.6
97.01111	6.0
97.02892	11.4
98.06065	2.1
100.07616	9.5
101.07170	2.7
102.05510	2.8
109.02845	2.8
111.05578	4.5
112.03950	5.5
123.04428	28.8
123.55088	1.9
125.07047	2.0
126.05518	38.7
127.03887	8.7
129.06598	14.5
130.04999	2.1
132.10207	22.3
136.06210	3.1
138.05489	2.1
139.03844	1.8
141.13902	2.7
144.06558	100.0
145.04971	13.2
145.06720	2.5
153.06607	4.9
154.04959	6.1
169.04980	9.1
170.09222	4.8
171.07607	9.0
180.08585	1.8
187.14430	2.3
189.08702	72.8
197.12839	4.0
199.05350	19.2
199.07150	5.9
215.13869	3.9
217.08192	40.7
219.63480	2.1
222.36600	2.0
233.14954	7.6
243.13414	4.6
284.16016	7.0
330.16687	9.9
348.17349	5.3
349.09067	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	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01860	4.4
56.05023	8.6
57.03431	8.3
58.06580	4.9
61.02917	10.3
66.15676	2.2
67.10903	2.1
69.03432	19.4
70.02952	2.3
70.59615	7.3
71.04990	3.4
73.02908	4.6
74.06076	29.6
81.03404	10.9
81.92532	2.3
82.06551	3.6
84.04513	19.6
85.02900	100.0
86.06065	3.2
86.09702	36.2
88.04001	12.8
91.03954	6.9
97.02883	42.3
98.03220	7.3
99.04441	6.1
100.07607	6.7
109.02901	13.6
110.64451	2.1
111.05573	4.4
121.09312	2.1
123.04423	94.2
125.02342	5.2
125.07238	2.1
126.02670	3.6
126.05503	30.7
127.03911	27.6
128.04272	2.1
129.06584	7.4
130.04967	3.2
132.10210	14.9
139.03896	5.7
140.04321	2.1
144.06552	57.8
145.04956	41.6
151.07428	2.5
153.01865	2.4
153.06590	2.9
154.04965	5.0
162.22470	2.0
163.06007	5.3
169.04932	29.1
169.13367	2.7
171.07686	6.0
175.66304	2.5
180.08612	6.4
186.07607	2.8
189.08690	43.9
197.12711	2.1
199.05365	2.2
199.07121	3.0
217.08203	28.6
229.12169	4.0
233.15019	4.0
259.48035	2.1
284.16098	5.3
330.16513	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01862	3.3
56.05016	5.1
56.96564	59.2
57.03431	7.3
58.06598	4.2
60.04519	8.8
60.85850	2.7
61.02905	6.5
67.05495	5.5
69.03442	15.4
70.06596	16.6
71.04984	3.7
71.63825	3.7
71.95277	2.6
72.08162	7.3
73.02918	4.8
74.06064	5.5
79.05486	3.2
80.05007	2.9
81.03410	7.2
81.07079	3.7
81.25429	2.4
84.04520	13.0
84.08144	18.0
84.96052	11.1
85.02911	28.1
85.08450	2.9
86.06128	3.3
86.09696	35.5
87.04453	3.3
91.05477	5.9
94.06552	9.4
95.04961	3.8
97.02878	14.4
98.97588	64.6
100.99139	4.4
101.00858	4.3
101.07079	2.9
102.01588	2.4
102.05524	4.9
106.05029	6.1
106.06576	4.2
108.04463	4.2
108.08102	9.2
109.02909	5.3
110.06059	5.1
110.97584	7.8
112.99097	5.2
113.83715	3.4
116.07095	3.0
116.98618	43.1
119.01911	17.0
120.01988	4.7
121.08142	2.7
122.06033	48.0
123.04472	4.4
123.06834	20.1
124.07566	5.9
125.06065	2.5
126.05509	6.0
127.03915	7.2
128.98581	16.1
129.10234	6.7
130.10587	2.9
131.00191	13.3
131.01918	13.0
132.10158	3.3
133.01755	2.9
133.03462	6.1
134.03566	4.6
134.06024	7.7
134.99677	21.1
136.06184	16.7
136.07565	4.7
137.03029	5.1
137.05959	4.4
138.05501	72.7
140.07047	7.1
141.04010	3.2
143.00179	15.0
143.01892	4.7
143.53122	3.1
144.06581	5.7
145.01677	3.0
145.03470	4.8
146.99644	15.5
147.03250	4.5
147.04434	8.7
149.01213	6.6
149.02942	6.6
150.05505	80.4
151.06302	28.7
152.05690	15.9
152.07076	16.3
153.06467	7.4
155.02002	2.9
156.02600	3.5
157.03519	3.3
158.99660	21.4
159.04996	3.7
161.01219	15.8
161.02934	9.4
163.02731	6.0
163.03957	3.7
165.00719	11.6
165.94611	2.9
168.05151	6.0
168.06572	100.0
169.03468	2.9
169.07196	5.6
170.08192	4.5
172.94344	4.3
173.01225	7.4
173.02937	7.3
173.04605	2.3
173.12761	2.6
174.99158	9.0
175.02695	6.9
175.11940	5.8
176.97931	2.5
177.00705	27.1
179.02290	4.7
183.01813	5.2
183.11684	2.8
184.02306	3.5
185.06422	3.4
186.07674	23.6
186.99246	2.9
187.02905	4.0
187.04558	8.5
189.00775	8.1
189.04381	3.3
189.08725	6.7
190.95367	6.3
190.98752	3.6
193.00246	14.3
193.01845	2.9
193.03879	4.6
195.01613	3.3
199.02763	2.8
199.04523	3.8
201.00787	4.3
201.12379	6.0
203.02275	5.0
205.00150	5.6
205.03751	5.8
207.01740	19.8
208.96478	3.5
215.00397	5.1
215.13948	6.8
217.05759	4.5
217.08220	5.3
219.01793	11.1
219.03616	4.7
221.05136	3.3
223.01076	3.8
224.98442	3.2
226.02417	5.1
229.01881	3.6
229.03740	5.0
229.05711	4.8
229.12131	4.1
232.96410	4.5
235.09279	4.4
237.02794	21.3
243.13313	4.9
247.04875	11.8
249.02878	5.6
249.08188	9.9
265.05856	7.8
267.03857	4.1
267.09351	6.6
279.00449	3.1
279.03738	4.7
283.06876	6.5
285.10709	5.0
300.52264	3.1
302.12442	4.8
306.99960	4.3
307.06937	16.1
307.36905	3.2
325.08020	3.0
330.11874	7.4
348.12827	57.6
349.04648	3.4
349.09637	17.7
349.13580	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	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79269	1.0
53.03921	0.8
55.05498	2.1
56.96538	3.0
57.03421	2.1
57.07076	4.6
58.06576	1.4
60.04507	2.0
61.02913	1.6
67.05482	3.5
67.11095	0.9
69.03420	1.3
69.07051	1.6
69.40587	9.6
71.08620	3.2
73.02872	2.5
74.06045	0.9
79.05483	1.7
81.03423	1.5
81.07027	3.8
83.04939	1.0
83.08608	1.0
85.02902	1.2
85.10123	0.9
88.07626	2.2
89.07932	0.9
91.05466	2.0
93.07034	2.4
95.04964	1.1
95.08566	2.7
96.09943	0.9
97.02877	3.8
97.06506	1.8
98.97568	2.7
105.06994	2.8
107.08577	2.8
109.10149	2.6
116.98623	2.1
119.08579	2.6
131.00172	2.4
131.08522	1.9
133.10100	1.7
134.99667	0.9
135.08009	1.5
136.08672	1.7
142.03322	0.9
142.07756	1.6
143.08536	2.5
145.06471	1.1
145.10112	2.3
147.03052	2.5
147.11554	1.1
149.01227	6.3
149.02284	1.4
155.08611	1.2
156.03600	6.8
156.09412	1.1
157.10077	2.7
159.11708	1.3
167.02225	2.9
167.54352	2.0
168.09344	2.6
169.10136	1.5
177.00642	2.2
183.11679	6.2
191.02322	1.1
193.05003	1.7
200.02238	1.3
211.11122	1.2
213.08841	1.0
224.65617	1.4
228.05688	3.2
229.12260	8.1
266.14560	4.3
266.64725	1.5
275.15103	0.9
286.01859	0.9
286.65948	2.6
289.14322	1.7
299.31305	3.1
313.20401	1.2
347.17191	12.9
347.21838	100.0
347.33408	10.2
347.67252	3.0
348.18277	1.8
348.22220	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	347.1852
Annotation	,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.72815	1.6
53.03952	3.0
55.01863	9.0
55.05502	3.6
57.03442	23.3
57.49113	1.6
60.04525	15.9
67.05495	5.7
69.07060	11.4
70.06583	2.7
70.67499	3.4
70.67886	3.1
72.49979	1.6
73.49796	1.8
77.73613	1.6
79.05492	15.8
81.07051	9.7
83.04980	1.9
91.05468	17.9
93.07030	7.3
95.05016	2.1
97.06528	100.0
105.07018	12.8
107.04931	2.0
115.05458	5.7
117.07008	4.9
119.04942	6.9
119.08601	4.4
121.06480	2.2
128.06218	6.8
129.06990	17.0
131.04916	2.4
131.08521	10.8
133.10147	1.8
135.04337	3.0
137.05981	43.9
141.07007	10.9
142.07788	11.6
143.08548	16.5
144.09413	2.8
145.06511	7.2
145.10170	3.9
147.04398	2.6
147.07961	2.5
149.06003	4.9
153.07018	7.3
154.07759	2.9
155.08546	27.3
157.06514	5.3
157.10104	19.4
159.04408	6.4
159.08084	5.3
159.11664	2.1
161.05972	9.6
163.07539	3.1
165.06987	2.1
166.07729	2.1
167.08597	4.4
168.09351	20.6
169.10110	2.5
171.04474	3.0
171.08044	2.9
173.05902	4.3
173.09622	2.6
174.06738	2.1
175.07567	6.3
175.20932	1.7
177.09129	2.9
178.06311	1.8
178.07776	3.2
181.10120	5.4
183.08035	2.3
183.11703	63.1
185.09702	2.1
187.07602	10.2
189.05479	4.8
189.09114	5.5
191.06990	8.3
193.10158	8.6
196.08759	2.9
201.09189	5.1
201.12721	5.7
203.10635	2.4
205.08528	4.2
211.11186	19.9
213.09038	8.9
215.10727	9.1
227.10649	2.2
228.13864	2.9
229.12225	75.8
233.11728	65.3
243.10060	2.8
245.11719	2.3
246.14960	5.4
247.13316	6.4
257.11798	2.7
257.15170	2.1
264.16010	2.0
271.13425	2.1
285.14777	8.8
287.12933	8.9
303.15833	2.7
306.17023	5.8
311.16498	7.4
329.17462	52.7
329.21249	3.5
330.17905	2.0
347.18475	15.3
348.18002	19.4
355.08673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79269	1.0
53.03921	0.8
55.05498	2.1
56.96538	3.0
57.03421	2.1
57.07076	4.6
58.06576	1.4
60.04507	2.0
61.02913	1.6
67.05482	3.5
67.11095	0.9
69.03420	1.3
69.07051	1.6
69.40587	9.6
71.08620	3.2
73.02872	2.5
74.06045	0.9
79.05483	1.7
81.03423	1.5
81.07027	3.8
83.04939	1.0
83.08608	1.0
85.02902	1.2
85.10123	0.9
88.07626	2.2
89.07932	0.9
91.05466	2.0
93.07034	2.4
95.04964	1.1
95.08566	2.7
96.09943	0.9
97.02877	3.8
97.06506	1.8
98.97568	2.7
105.06994	2.8
107.08577	2.8
109.10149	2.6
116.98623	2.1
119.08579	2.6
131.00172	2.4
131.08522	1.9
133.10100	1.7
134.99667	0.9
135.08009	1.5
136.08672	1.7
142.03322	0.9
142.07756	1.6
143.08536	2.5
145.06471	1.1
145.10112	2.3
147.03052	2.5
147.11554	1.1
149.01227	6.3
149.02284	1.4
155.08611	1.2
156.03600	6.8
156.09412	1.1
157.10077	2.7
159.11708	1.3
167.02225	2.9
167.54352	2.0
168.09344	2.6
169.10136	1.5
177.00642	2.2
183.11679	6.2
191.02322	1.1
193.05003	1.7
200.02238	1.3
211.11122	1.2
213.08841	1.0
224.65617	1.4
228.05688	3.2
229.12260	8.1
266.14560	4.3
266.64725	1.5
275.15103	0.9
286.01859	0.9
286.65948	2.6
289.14322	1.7
299.31305	3.1
313.20401	1.2
347.17191	12.9
347.21838	100.0
347.33408	10.2
347.67252	3.0
348.18277	1.8
348.22220	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	347.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
53.04157	0.3
55.01860	0.7
55.05497	1.8
56.05022	0.9
57.03424	0.5
58.06580	1.3
60.04495	0.5
66.92886	0.3
67.05501	7.4
69.03422	1.6
69.07066	6.4
70.06590	2.7
71.04994	2.3
71.64523	0.7
72.08121	0.5
79.05483	1.5
81.07054	3.3
83.04975	0.7
83.08587	0.7
84.04497	0.5
84.08122	1.3
84.77558	0.4
85.02854	0.8
86.06071	0.4
86.09695	1.0
87.04446	0.5
91.05483	1.8
93.07042	3.6
94.06567	1.0
94.87813	0.3
95.04958	0.8
95.08604	6.1
96.04471	1.4
97.02870	1.1
97.06519	0.5
98.06054	0.7
98.09677	0.5
99.04444	0.5
99.05569	5.3
100.07598	0.4
105.06999	0.6
107.08601	0.8
107.59244	0.4
108.08115	0.7
109.10154	7.4
110.09705	1.9
110.10348	0.4
111.04401	0.7
111.05566	3.2
111.08128	0.6
111.11715	0.6
112.07587	0.4
113.07124	0.4
119.08560	1.6
120.08059	1.0
121.06474	0.5
125.02351	1.8
125.07113	0.9
126.12792	1.2
127.03898	0.6
134.09628	1.1
136.07552	0.4
136.11206	7.3
137.05930	1.4
137.07059	0.9
137.09608	1.9
139.03886	1.5
149.13211	0.7
151.08681	0.7
151.12289	1.6
152.10693	0.5
153.01837	1.0
153.05400	0.4
153.06882	0.4
153.10255	0.5
154.12236	4.0
162.09209	0.4
167.01942	0.4
169.13321	0.6
179.11784	28.9
180.12038	1.1
185.11691	0.5
185.15340	0.5
191.09036	0.5
192.10194	1.2
193.10486	1.1
197.12845	100.0
198.11241	1.0
198.13171	3.4
209.10014	0.6
215.13892	11.2
216.14314	0.5
229.12263	0.6
283.16559	1.1
301.17599	3.6
302.17633	0.4
310.19495	0.4
311.09253	0.4
311.15988	5.0
329.11206	1.0
329.17047	20.4
330.17148	1.7
347.12305	1.9
347.17999	11.3
348.18167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0972
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02360	0.7
53.03942	4.4
55.01855	1.6
55.05502	0.6
56.96573	0.6
57.03436	2.5
60.04529	0.9
68.02644	1.0
69.03429	25.9
69.85674	1.6
69.86087	1.9
71.01348	2.0
71.04993	3.3
71.12255	0.6
72.08141	1.4
77.42725	0.5
79.01865	1.2
81.03415	12.8
83.01334	1.7
83.04974	3.9
84.04486	1.4
84.08122	1.0
85.02904	11.8
86.09725	2.8
97.02890	100.0
98.03261	0.8
98.21566	0.7
99.04448	4.4
99.28648	0.5
109.02883	10.7
111.04439	10.7
113.05982	0.9
115.03927	2.6
116.07240	0.6
125.02349	50.1
126.02699	0.7
127.02977	1.0
127.03922	18.8
132.10179	0.8
139.03903	36.0
142.60674	0.6
142.65033	0.5
143.03452	0.9
145.04939	4.0
153.01831	26.0
164.79973	0.6
167.03407	1.9
170.09204	0.6
171.02887	5.0
185.04457	13.9
189.03960	1.1
204.60104	0.6
216.09859	1.0
239.05437	0.6
297.17819	0.6
311.07556	0.8
329.08707	1.3
329.18411	1.1
347.13083	2.4
358.43939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1811
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
50.50974	0.3
52.68911	0.3
53.03954	1.5
55.01862	0.3
55.05500	1.2
56.05013	0.7
57.03426	0.3
58.06576	0.9
59.04993	0.2
65.03914	0.3
67.05499	6.1
69.03441	0.6
69.07062	6.1
70.02962	0.2
70.06577	1.9
71.04987	2.1
71.37766	0.6
79.05472	1.6
81.07057	3.1
82.06570	0.3
83.08624	0.4
84.08134	1.2
85.02892	0.5
86.06089	0.3
86.09690	0.3
87.04461	0.4
91.05472	1.5
93.07050	3.2
94.06544	0.8
94.95393	0.2
95.04957	0.5
95.08607	5.2
96.04498	1.4
96.08161	0.3
97.06542	0.3
98.06035	0.3
98.09671	0.5
99.05568	4.5
100.07571	0.4
107.08601	0.8
108.08103	0.9
109.10155	8.1
110.09704	1.7
111.04920	0.3
111.05571	3.7
111.11678	0.8
112.07630	0.4
117.07034	0.3
119.08566	1.9
125.02324	0.3
125.07101	1.0
126.12789	1.5
133.04839	0.3
134.09625	0.9
136.07542	0.3
136.11217	6.8
137.06105	0.3
137.07074	1.3
137.09613	2.0
137.54756	0.3
151.08661	0.6
151.12289	1.5
152.10666	0.6
153.10217	0.8
154.12267	3.5
162.09120	0.3
169.13338	0.9
170.17917	0.3
179.11789	28.1
180.12112	0.8
197.12846	100.0
198.13193	3.4
215.13896	12.1
216.14243	0.3
240.55824	0.2
244.44063	0.3
251.87245	0.3
283.16519	0.9
301.17609	3.2
311.15985	3.9
329.17059	22.4
330.13721	0.3
330.17380	1.0
347.11893	0.6
347.18091	11.0
348.18225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1644
Annotation	Reticuline N-oxide
Peak:m/z	Relative Intensity
58.06585	3.9
60.04511	1.5
67.05471	1.6
69.03422	1.9
69.07063	1.2
70.06573	1.6
70.99864	2.4
71.00269	2.1
72.08125	1.0
79.05469	2.2
84.04483	1.8
85.02914	1.2
86.09694	6.6
91.05463	4.2
101.07153	1.2
103.05472	1.4
105.06999	1.2
106.49867	1.1
107.04957	3.9
115.05430	4.7
117.07013	1.7
119.04932	2.2
119.07393	1.1
120.08091	1.2
121.06518	1.2
122.03629	1.9
125.05998	1.7
130.08807	1.0
131.04924	4.9
133.02837	2.3
133.06396	1.2
134.99687	1.3
135.04390	3.9
137.05965	38.3
138.03113	3.3
138.06293	2.2
139.03822	1.7
143.04897	12.6
146.11742	3.1
147.04388	1.8
147.06731	1.6
148.07556	4.5
149.05998	1.4
149.08400	1.6
151.03879	1.7
151.07547	6.3
153.05458	31.3
153.06729	1.7
155.08449	1.1
155.83553	1.1
159.04395	7.4
160.07610	1.9
161.05983	2.0
162.09161	7.6
163.06238	1.3
163.07562	1.5
164.07047	1.2
167.07095	6.6
169.06496	1.5
173.06108	1.2
175.07524	12.4
176.07040	4.0
177.07860	22.8
178.08629	6.9
179.08356	1.3
179.11758	1.3
180.10210	4.9
183.07889	1.4
190.08621	22.1
191.07031	3.8
191.09303	5.1
192.10179	100.0
193.07358	13.4
193.10359	5.6
194.07851	1.2
194.10695	1.1
195.08000	2.8
197.05870	1.3
197.12889	4.2
205.06468	1.7
205.10994	1.6
208.09679	65.5
209.10121	2.2
211.07500	2.7
223.07552	2.7
225.08939	1.6
229.08578	1.6
231.36253	1.1
237.08369	4.1
239.07080	1.3
243.10194	3.0
251.06926	2.1
253.08412	1.6
254.08589	1.9
255.10199	2.1
258.14990	1.8
265.07907	2.7
266.08356	2.4
271.09698	2.7
282.08203	1.5
283.09613	1.9
285.11197	1.9
297.10471	3.6
299.08301	2.0
302.17453	12.0
303.12064	1.2
311.10403	1.2
314.10504	2.1
314.13892	3.1
315.12036	5.5
328.11996	2.1
328.15283	6.0
329.13000	10.9
329.16776	2.0
346.13129	3.0
346.16461	73.8
346.20013	4.7
347.12234	3.7
347.16721	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60122	1.4
52.38232	1.2
53.03935	2.9
55.01863	3.4
55.05503	4.6
56.62768	1.3
57.03434	6.8
58.06583	4.3
59.05001	1.3
60.04230	1.8
60.04526	35.7
61.02934	11.8
64.89062	1.3
67.05496	3.6
69.03423	20.3
69.07064	2.2
69.91226	7.3
70.06594	6.5
71.04977	4.9
72.04495	2.2
72.08154	7.6
73.02896	5.1
74.06071	2.0
79.05493	9.7
81.03416	9.1
81.07054	8.1
82.06566	1.8
84.04482	5.3
84.08144	3.5
85.02905	100.0
86.03208	1.5
86.09706	20.5
87.04482	2.0
87.10060	1.5
91.03934	4.5
91.05474	4.8
93.07029	5.8
95.04952	2.4
95.08585	3.7
96.08140	1.4
97.02892	31.7
97.03507	1.6
99.04458	3.3
99.08064	2.6
102.05554	2.7
103.05476	11.9
104.07076	3.8
105.07029	4.8
107.04976	3.2
107.08588	2.3
109.02866	7.1
111.61713	1.4
115.95871	1.3
117.06998	2.8
117.29983	1.4
119.08578	3.4
120.08084	1.8
121.06503	78.9
122.06808	1.9
123.51289	1.3
125.02314	2.9
127.03913	25.0
127.07510	2.6
131.04892	2.5
131.08578	2.6
133.10069	2.4
137.05965	4.1
139.03897	1.7
139.07527	1.7
141.06929	2.2
141.10312	1.6
145.04956	38.5
149.06001	3.5
151.03902	1.6
153.01845	2.1
161.06013	1.6
162.07611	1.6
163.06035	9.5
167.07048	10.3
170.05823	1.3
173.02617	1.5
179.50427	1.6
184.07271	2.1
190.24258	1.4
197.12875	1.9
201.12384	3.5
209.05954	1.4
211.07616	2.0
213.72528	1.3
215.13942	2.9
225.51387	1.6
239.07025	2.0
240.10013	2.7
257.07965	2.4
258.14902	2.2
259.40207	1.5
271.98431	1.5
273.13562	1.7
286.10693	3.3
300.12274	6.4
302.17319	10.1
313.12924	1.4
328.15414	2.0
328.24756	5.6
346.12640	12.4
346.16440	2.5
346.19968	3.0
346.25928	25.6
347.12524	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60122	1.4
52.38232	1.2
53.03935	2.9
55.01863	3.4
55.05503	4.6
56.62768	1.3
57.03434	6.8
58.06583	4.3
59.05001	1.3
60.04230	1.8
60.04526	35.7
61.02934	11.8
64.89062	1.3
67.05496	3.6
69.03423	20.3
69.07064	2.2
69.91226	7.3
70.06594	6.5
71.04977	4.9
72.04495	2.2
72.08154	7.6
73.02896	5.1
74.06071	2.0
79.05493	9.7
81.03416	9.1
81.07054	8.1
82.06566	1.8
84.04482	5.3
84.08144	3.5
85.02905	100.0
86.03208	1.5
86.09706	20.5
87.04482	2.0
87.10060	1.5
91.03934	4.5
91.05474	4.8
93.07029	5.8
95.04952	2.4
95.08585	3.7
96.08140	1.4
97.02892	31.7
97.03507	1.6
99.04458	3.3
99.08064	2.6
102.05554	2.7
103.05476	11.9
104.07076	3.8
105.07029	4.8
107.04976	3.2
107.08588	2.3
109.02866	7.1
111.61713	1.4
115.95871	1.3
117.06998	2.8
117.29983	1.4
119.08578	3.4
120.08084	1.8
121.06503	78.9
122.06808	1.9
123.51289	1.3
125.02314	2.9
127.03913	25.0
127.07510	2.6
131.04892	2.5
131.08578	2.6
133.10069	2.4
137.05965	4.1
139.03897	1.7
139.07527	1.7
141.06929	2.2
141.10312	1.6
145.04956	38.5
149.06001	3.5
151.03902	1.6
153.01845	2.1
161.06013	1.6
162.07611	1.6
163.06035	9.5
167.07048	10.3
170.05823	1.3
173.02617	1.5
179.50427	1.6
184.07271	2.1
190.24258	1.4
197.12875	1.9
201.12384	3.5
209.05954	1.4
211.07616	2.0
213.72528	1.3
215.13942	2.9
225.51387	1.6
239.07025	2.0
240.10013	2.7
257.07965	2.4
258.14902	2.2
259.40207	1.5
271.98431	1.5
273.13562	1.7
286.10693	3.3
300.12274	6.4
302.17319	10.1
313.12924	1.4
328.15414	2.0
328.24756	5.6
346.12640	12.4
346.16440	2.5
346.19968	3.0
346.25928	25.6
347.12524	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.7
64.90921	1.0
69.07056	1.7
71.64416	1.4
71.64780	1.5
73.00378	1.3
76.05956	1.0
78.36198	1.0
79.04915	1.0
79.05489	3.9
81.07032	2.5
85.06531	2.2
91.05480	3.9
93.07034	1.6
97.06508	4.2
105.07018	4.5
117.07016	2.4
128.06190	1.9
129.06915	2.1
130.07773	1.6
131.08546	1.8
133.10135	1.7
134.82703	1.3
142.07698	1.3
143.08513	2.7
145.10135	6.1
147.08000	1.5
155.08543	3.6
161.09665	1.7
173.09607	4.4
189.09116	1.5
213.12791	1.4
241.31647	1.2
255.13583	2.9
259.10056	2.9
272.68311	1.2
285.14606	40.9
303.09094	2.1
321.10117	3.4
343.80829	1.3
345.16724	100.0
346.17111	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	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52761	0.6
53.03941	0.8
55.05490	0.8
56.05023	1.0
56.96302	0.7
56.96563	12.1
57.03427	1.3
58.06596	0.6
59.04982	0.6
61.02908	1.6
69.03430	4.6
70.04385	3.1
70.06602	4.3
70.98122	1.4
71.04982	1.2
72.07808	0.6
72.08157	8.4
73.02899	1.7
81.03413	2.4
83.04954	0.7
84.04481	1.1
84.08142	2.6
84.84603	0.5
84.96002	1.1
85.02910	6.7
86.09679	1.8
87.04429	0.9
87.10007	0.6
88.99149	1.0
91.03931	1.1
91.05425	1.2
93.40855	0.5
97.02900	5.7
98.97578	6.8
99.04476	1.2
100.99120	0.6
105.07011	0.6
107.00195	0.6
108.08081	0.7
109.02882	1.7
110.06039	0.6
110.97553	1.6
112.08698	0.7
112.99145	1.0
116.07062	0.9
116.98620	5.9
119.01865	1.7
120.04446	1.7
127.03859	2.8
128.98610	2.4
129.10191	1.3
130.05014	0.6
130.08658	0.6
130.93286	0.6
131.00169	1.3
131.01884	1.0
133.01683	0.6
133.03481	0.8
134.06027	0.5
134.99646	2.5
136.07568	1.1
137.05968	1.2
137.08328	2.7
138.05472	3.5
138.09099	0.7
143.00150	1.3
144.98091	0.6
145.01689	1.9
145.03508	0.7
145.04926	1.0
146.99648	2.9
147.04355	0.9
148.03925	43.8
148.07568	1.5
149.01166	0.9
149.02995	0.6
149.04210	0.6
150.05498	1.0
151.04866	0.7
152.05687	1.2
152.07040	1.3
153.03975	0.6
157.01746	1.2
158.99643	1.7
159.03172	0.8
161.01219	2.1
161.02971	0.6
163.02748	1.6
163.03934	2.1
166.04994	92.5
166.08600	5.5
167.05368	1.5
168.06607	0.6
170.99574	0.8
171.14938	3.0
172.94241	1.3
173.01166	1.1
173.02985	0.6
174.99117	1.1
175.02753	1.1
177.00752	2.4
177.02310	0.7
183.11182	0.5
184.06053	100.0
185.01180	1.3
185.06464	1.6
187.02805	0.7
188.02289	0.5
189.00710	1.3
189.02348	0.6
189.04324	1.7
190.95451	1.7
190.98686	0.6
191.02310	1.2
192.08937	0.6
193.00227	1.6
196.08475	0.8
199.02739	0.6
199.14391	1.3
201.00728	1.0
201.12386	1.0
203.02316	1.4
205.05499	1.0
207.01796	1.0
208.96425	1.2
215.02235	1.4
216.96913	0.7
219.01741	2.5
219.03560	0.8
220.08444	0.9
229.03842	0.6
232.96521	1.3
233.03326	1.0
234.97946	0.7
235.04948	2.2
237.02826	2.7
237.10892	0.7
240.10179	0.6
245.06842	2.1
246.98094	0.6
247.01328	1.7
248.95984	0.6
256.96524	1.0
265.02045	0.6
265.06003	1.0
266.08789	1.0
270.08432	0.8
274.97595	2.7
283.11658	1.0
300.14374	0.8
304.98639	1.2
322.99713	1.1
329.12167	1.4
346.08063	1.2
346.11356	2.2
346.14957	6.0
346.22818	0.7
347.13123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14491	13.7
51.93919	15.0
54.63569	15.8
56.96553	15.4
59.03398	14.1
65.02111	14.5
69.39473	100.0
69.39890	60.8
81.53275	14.3
87.14854	17.7
106.25925	14.8
127.02284	20.2
200.66096	22.0
208.40906	21.3
345.10910	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01869	7.2
55.05487	4.3
56.05043	6.0
56.96563	78.7
57.03428	15.7
61.02917	31.3
69.03426	37.2
69.73651	28.7
70.06596	22.7
70.98119	10.5
71.04989	10.5
72.08141	17.9
72.08480	3.7
73.02918	24.9
74.97662	3.8
79.05503	4.1
81.03419	11.9
84.08134	6.7
84.96032	8.4
85.02911	59.5
85.06533	4.9
86.09716	5.7
87.04462	6.7
89.03906	16.0
91.03954	8.6
91.05478	7.0
95.04961	5.9
97.02888	35.8
98.20732	4.6
98.97577	41.4
99.04414	8.3
101.00893	8.0
101.02359	4.1
107.04962	4.6
109.02856	6.7
110.01320	4.5
110.97585	7.9
111.04404	9.4
112.99139	8.9
114.06757	4.3
115.02455	4.4
115.53743	4.3
116.98600	27.2
117.02024	7.2
117.03388	11.2
118.01048	5.0
119.01921	32.9
119.04960	9.7
121.01599	4.3
122.07152	13.5
123.02892	4.5
124.99116	6.1
125.02383	6.7
126.03650	5.4
127.03909	29.8
128.98589	15.8
131.00179	20.2
131.01865	21.2
133.03468	14.9
134.99669	12.3
135.03281	3.5
135.04410	27.0
136.07559	7.4
137.02959	7.9
137.05971	12.3
139.01497	5.7
140.00159	6.7
143.00194	19.9
143.01872	9.5
145.01717	6.8
145.02670	7.2
145.03574	7.5
145.04987	10.2
146.99631	13.2
147.04411	12.1
148.03925	9.0
149.01189	19.2
149.03014	5.2
150.01782	9.6
150.68925	4.2
155.01874	14.2
156.02695	8.4
157.01674	6.8
157.03421	7.7
158.99675	8.9
159.05049	4.2
161.01158	19.5
161.02980	15.5
163.02560	7.6
163.03882	100.0
164.04282	5.1
165.00780	4.8
166.05017	17.1
170.99654	8.9
171.05042	14.9
172.95213	4.8
173.01173	14.1
173.02928	27.3
173.06622	9.1
174.04471	7.1
175.02808	9.9
175.04449	4.4
177.00687	18.8
178.04939	10.5
179.02217	5.2
179.11943	4.1
181.03468	6.3
182.85098	4.0
183.04976	12.7
183.07697	8.3
184.02214	9.4
184.06059	10.0
185.01366	7.7
185.02969	18.9
185.06723	5.0
187.02773	7.5
187.04515	11.5
189.00677	15.5
189.02301	4.8
189.04384	7.3
189.06062	13.6
191.02187	12.3
193.03917	6.0
194.01537	10.2
195.08150	6.3
199.04532	17.1
200.04530	6.6
201.00703	18.1
201.02435	4.8
201.04417	7.1
201.06224	5.3
203.02156	13.3
203.03886	8.8
207.01785	7.5
213.05971	7.1
215.02205	13.7
215.04048	6.3
217.05579	10.2
219.01762	19.5
221.03015	6.5
224.02594	18.8
226.02382	7.9
231.07245	5.7
231.10735	5.7
233.03387	22.0
237.02786	18.9
241.05638	9.6
243.01628	5.4
245.05135	14.9
249.02815	5.5
249.08151	21.6
255.06961	15.9
255.57416	7.1
257.05099	8.3
259.06577	8.0
264.07690	9.8
267.03854	9.0
267.09277	16.4
269.09091	5.3
282.11304	5.5
283.07062	5.9
285.04749	8.1
285.08109	8.7
301.11325	7.4
317.07217	5.3
317.10693	4.6
327.09613	5.7
328.11081	4.3
337.07950	15.8
345.06177	18.1
345.10391	9.7
345.14243	5.2
345.22299	10.0
347.08276	5.5
355.09070	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.9
55.05500	37.8
57.03422	12.9
57.07068	14.2
58.06595	12.1
67.05510	57.2
69.07073	35.7
70.06577	12.4
71.08635	28.0
74.06070	16.1
79.05478	61.5
81.07047	67.0
83.04978	15.7
83.08614	14.5
88.07621	69.0
91.05482	41.8
93.07016	57.1
93.99892	11.9
95.04955	17.3
95.08597	40.5
97.06537	23.6
98.21473	40.4
99.08088	29.8
100.11250	37.4
105.07001	22.8
107.08597	33.0
111.08140	10.9
117.07048	15.5
118.19641	10.0
119.08523	23.2
121.06514	9.6
131.08609	17.3
133.10118	20.1
135.11646	26.8
139.11177	27.8
140.80219	9.6
145.10097	17.9
149.13219	16.5
151.11151	17.7
159.11627	23.1
163.11130	12.6
165.12920	10.7
175.11121	12.2
185.13293	12.3
229.69011	17.3
259.20584	11.5
277.21454	51.8
309.24161	14.1
344.31540	100.0
344.35406	32.8
345.20514	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	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
55.05508	64.1
57.07072	4.6
57.97956	2.7
60.04516	6.7
67.05498	30.0
69.03418	8.2
69.07079	17.6
69.40482	8.7
69.40904	18.6
71.08281	2.6
71.08604	17.8
79.05489	24.2
81.03400	5.5
81.07053	26.8
83.04949	4.0
83.08611	36.8
85.06563	4.6
88.07626	5.5
91.05469	11.1
93.07048	21.6
95.04974	14.9
95.08595	9.1
97.06526	5.0
97.10169	82.5
99.08096	18.2
105.02795	2.8
105.07011	13.7
106.07339	4.0
107.04938	3.1
107.08598	40.4
109.06525	4.3
109.10157	11.3
111.08069	3.5
117.07016	2.6
119.04897	3.8
119.08545	7.9
119.09906	2.8
121.10126	3.6
123.08107	3.4
124.05211	3.3
125.06046	3.1
125.09621	81.6
126.10014	2.4
131.08531	2.5
133.10155	3.6
135.08047	20.1
135.11694	5.0
140.83267	2.7
141.25188	2.6
143.10643	3.1
145.10188	3.5
147.08170	4.1
147.11684	5.4
150.06686	2.6
151.11180	8.0
153.09103	16.8
157.10143	4.2
157.12225	8.3
161.13200	5.2
163.11140	4.3
171.10272	4.4
171.11702	2.6
175.14871	4.8
203.12772	100.0
212.86086	2.8
221.15208	2.9
225.18475	3.9
259.20560	4.0
271.09604	3.0
277.21594	47.5
291.23218	9.6
293.36246	2.7
295.17743	2.8
309.24136	13.2
317.13770	9.8
344.23224	7.6
344.31534	4.8
344.35300	4.8
345.13354	38.1
345.24457	2.9
366.73590	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	344.0891
Annotation	1-Anilino-9,10-dioxo-2-anthroic acid
Peak:m/z	Relative Intensity
57.09880	0.5
72.51229	0.4
78.32388	0.4
79.05463	0.4
121.63821	0.4
143.08559	0.9
157.10014	0.4
185.13191	1.0
298.04474	0.4
304.11838	0.4
310.04742	5.3
311.05356	1.1
314.04199	4.0
322.04895	0.5
328.05853	2.3
329.06500	4.0
344.08917	100.0
345.09332	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
58.06591	1.1
59.46097	0.7
60.04514	3.3
61.02917	0.9
65.03925	0.9
69.03417	2.5
70.06577	1.6
70.86762	1.3
70.87081	1.1
73.02892	0.9
74.06081	4.1
81.03428	1.3
84.08151	1.3
85.02431	1.4
85.02905	17.2
86.09695	1.3
91.03936	1.5
91.05475	5.4
95.04954	0.8
97.02897	4.1
99.04439	1.5
101.38113	0.7
109.02869	1.6
109.04536	0.9
116.68696	0.8
119.04935	16.4
123.04445	1.7
127.03926	3.3
129.10248	1.1
145.04948	3.2
147.04413	100.0
148.04781	1.2
165.05484	60.3
180.08589	1.1
192.10178	0.8
200.23497	0.7
201.12173	0.7
237.09187	1.0
243.10088	0.8
253.08636	1.5
265.08356	0.8
344.14929	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
55.05516	24.1
57.07056	5.2
58.06592	14.6
67.05505	28.7
69.03414	9.3
69.07068	88.5
70.97043	9.9
71.04977	5.4
71.08641	4.1
79.05483	19.0
81.07057	83.6
83.04971	6.5
83.08612	13.3
85.02921	4.4
85.06561	20.0
86.55535	2.7
91.05479	16.8
93.03425	4.6
93.07044	22.2
95.04975	19.6
95.08601	47.1
95.60032	2.6
96.56368	3.4
97.06514	27.3
97.10226	4.6
98.33848	3.2
99.08085	12.6
101.06002	5.1
101.23663	3.2
103.05464	11.0
105.07040	22.0
107.04963	9.7
107.08582	25.0
109.06512	5.0
109.10153	31.5
111.04430	9.2
111.08105	7.6
111.11711	23.9
115.05440	4.5
119.04941	4.4
119.08568	11.1
121.06470	4.2
121.10165	15.2
122.03638	8.5
123.11679	22.9
125.05984	7.1
127.11220	5.6
129.06982	3.8
131.04926	13.3
131.08553	9.1
133.02835	4.1
133.10170	5.7
135.04385	3.6
135.08055	4.3
135.11679	9.5
137.05980	100.0
137.13214	8.1
138.06308	6.8
139.11159	19.0
141.06921	4.9
145.10081	7.3
147.04382	3.8
147.11694	7.5
149.05997	9.1
149.13208	7.5
151.03854	17.5
151.07533	11.0
153.05486	18.2
153.06657	3.5
153.12715	7.5
157.06531	4.8
159.08058	8.5
159.11691	3.4
161.05988	3.3
163.07579	9.0
163.11165	3.3
165.09137	3.3
165.12828	6.1
167.07028	11.0
174.06665	5.4
175.14865	5.8
177.16402	4.6
179.07043	4.3
179.14449	3.3
189.09090	11.0
191.10683	13.0
195.07993	4.2
201.09157	5.6
207.07976	4.0
215.18138	3.4
219.10106	5.6
221.05966	5.7
224.07857	4.9
225.09064	4.5
233.09613	7.0
233.11937	3.5
235.07291	4.7
236.08018	4.0
251.06990	5.3
252.07350	6.9
261.09021	4.7
265.08096	6.2
265.12463	4.5
266.08762	7.2
267.06631	7.7
267.09702	8.9
268.06976	3.8
282.08688	11.7
283.09415	14.3
287.12772	3.6
289.25116	8.7
293.11700	10.7
294.08292	3.9
295.08408	6.0
295.26205	4.9
296.09079	4.4
297.11340	3.4
297.14944	3.4
298.11588	11.1
299.12277	5.3
307.26175	15.2
310.08273	4.2
310.11816	3.7
311.08743	4.6
311.12250	3.4
312.12985	4.0
325.14450	22.8
326.10645	40.2
326.14697	5.9
343.11642	25.4
343.15668	24.5
344.15552	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05514	19.3
57.07065	6.3
58.06592	8.6
65.03929	3.1
67.05503	33.4
69.03423	5.0
69.07065	42.1
70.07394	2.3
70.18307	6.2
70.18701	5.4
71.04987	6.2
79.05484	31.3
81.07056	100.0
82.07359	2.4
83.04982	4.9
83.08612	14.8
85.06546	22.8
91.05471	16.0
93.07048	44.4
95.04975	15.9
95.08604	99.1
97.06522	10.8
97.10157	6.3
99.08108	15.5
101.05991	2.9
105.07031	35.8
107.08598	41.2
109.06508	4.0
109.10160	51.7
111.08079	7.0
111.11700	6.8
115.07610	3.3
117.07011	3.6
119.08587	26.2
121.10142	34.4
121.98090	3.0
123.11700	23.9
125.09612	3.7
131.08568	5.4
133.10147	14.3
135.11691	29.8
137.05959	9.7
137.09607	3.9
137.13269	10.2
138.06294	2.6
139.11188	4.0
145.10135	8.7
147.11714	23.3
147.12822	3.4
149.05989	3.3
149.13274	15.8
153.05437	10.8
155.10669	2.8
159.11681	10.4
161.13275	8.2
163.07576	4.9
163.14813	10.6
163.42244	2.5
165.12683	8.3
173.13274	5.9
175.07430	3.0
175.14845	6.6
177.16383	16.4
179.14426	2.9
183.02895	2.9
189.16429	4.6
193.12315	2.6
194.07059	2.8
195.17441	9.2
201.16426	2.8
213.18459	7.4
215.17999	4.1
220.08472	4.6
222.06400	3.6
223.07301	3.9
224.07933	3.7
236.07991	5.4
237.08774	4.2
238.09430	3.0
250.05852	3.5
251.07033	4.8
252.10945	5.2
259.24179	2.8
265.08502	5.0
266.09000	4.8
267.09531	3.1
271.24158	6.0
277.25238	9.3
279.10153	4.1
280.10559	10.5
282.08517	7.1
284.09689	2.8
289.25183	16.1
293.11676	3.6
294.12311	3.2
295.09589	5.8
295.12839	21.4
295.26270	9.0
296.10019	9.1
297.10770	5.9
298.11453	5.5
307.26279	8.1
311.08914	4.8
311.12354	10.7
312.09723	3.3
312.13080	9.9
325.27151	3.7
326.10913	7.7
326.14658	9.0
343.11728	5.9
343.17545	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.91958	1.2
53.03946	1.5
54.42954	1.2
55.01854	1.9
55.05505	8.6
57.07074	4.4
59.05000	2.8
62.11981	1.2
67.05507	12.0
69.07065	100.0
70.07401	3.3
71.04987	2.4
71.64666	2.3
79.05486	16.0
81.03419	4.8
81.07053	39.5
83.04982	2.9
83.08612	5.1
84.16956	1.4
85.06585	2.5
91.05479	18.3
93.03379	2.0
93.07042	58.0
94.07362	2.3
95.04965	8.9
95.08601	32.8
96.08948	2.5
97.06535	5.2
105.07018	34.2
106.07378	2.3
107.08587	25.6
109.06497	7.3
109.10152	13.4
111.08079	6.2
115.05394	2.1
117.07015	9.7
119.08585	29.6
121.06519	7.6
121.10141	15.5
123.08065	3.2
123.11726	3.8
125.09621	1.8
128.06244	4.3
128.62169	1.3
129.07004	8.2
130.07846	2.0
131.04939	5.0
131.08568	26.6
133.06473	6.7
133.10132	17.7
134.10440	1.6
135.08046	6.1
135.11682	5.5
136.12007	2.0
137.05917	2.4
137.09598	4.2
137.51491	1.4
139.07536	15.4
140.07950	1.7
141.07027	3.4
142.07756	5.3
143.08578	20.4
145.06493	3.2
145.10120	29.1
146.10435	2.2
147.08047	4.2
147.11703	11.4
149.06023	1.5
149.09590	3.2
149.13278	2.5
151.07553	2.8
153.07138	1.8
154.07687	1.5
155.08560	14.3
156.09280	2.5
157.10120	23.3
158.10680	1.6
159.08080	3.1
159.11697	19.2
160.12132	2.5
161.09590	14.7
161.13264	14.3
163.11130	1.7
163.14836	4.2
165.06969	1.9
165.09140	2.0
167.08633	2.9
169.10139	12.4
170.10640	1.9
171.08017	2.0
171.11694	17.7
172.12003	2.5
173.09625	10.3
173.13254	9.3
175.11176	15.7
175.14801	2.8
177.09108	2.2
179.08557	2.9
179.10785	2.3
179.14366	5.5
181.10081	6.8
182.10889	2.3
183.11684	11.4
184.12151	1.9
185.09583	2.6
185.13257	13.2
186.14030	3.4
187.11180	5.6
187.14828	12.8
189.09149	4.3
189.12700	9.3
189.16367	3.2
191.10698	3.4
193.08563	1.5
193.10146	2.1
194.10927	1.9
195.11693	7.6
196.12515	1.9
197.09581	1.9
197.13261	14.6
199.11044	1.6
199.14818	9.9
200.15521	1.8
201.09093	3.7
201.12764	3.1
201.16414	12.8
202.17145	5.8
203.10738	2.5
203.14369	3.7
203.17961	1.9
205.15805	1.8
207.10049	2.4
207.13788	4.3
209.13231	5.4
211.14836	16.8
212.15576	15.9
213.12767	1.6
213.16400	14.8
215.14409	2.0
216.32106	1.4
217.15808	2.2
219.10156	9.2
223.14764	8.0
225.16368	5.8
227.14310	2.4
227.17873	4.3
229.15878	31.2
229.19241	3.2
230.16687	12.9
231.13860	1.6
231.17433	3.9
237.16472	6.8
239.14334	2.8
239.17931	4.6
240.18376	3.2
241.15869	6.4
241.18665	1.3
243.13725	1.7
247.16852	6.6
253.19641	5.4
255.17389	2.3
255.21242	3.1
257.15286	7.4
259.16931	2.3
269.15378	3.2
269.22656	5.6
275.16406	14.0
279.21066	12.0
281.22614	7.5
283.16858	1.5
284.26614	3.2
287.16382	3.4
297.22009	18.0
297.24918	3.0
298.22476	1.7
299.23691	2.9
315.23132	2.8
325.21490	10.0
343.18100	2.3
343.22455	31.0
343.37585	6.4
344.23038	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	343.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01861	6.6
55.05507	15.8
57.03432	8.0
57.07065	13.1
59.04992	8.3
67.05500	32.3
69.03417	11.6
69.07071	6.9
69.87476	11.7
69.87906	7.2
71.04993	28.7
79.05487	27.4
81.03423	8.5
81.07056	37.7
83.04975	5.9
85.06520	6.1
91.05466	33.4
93.06462	5.5
93.07039	86.9
95.04969	62.3
95.08598	89.8
97.06531	19.8
103.05421	4.2
105.07030	95.5
107.04964	7.2
107.08586	57.7
109.06517	22.0
109.10157	8.4
111.08100	3.8
115.05381	7.1
117.07015	37.9
119.08588	36.0
121.06474	17.8
121.10146	14.0
122.07315	4.6
122.79710	3.6
123.08083	30.9
125.05974	3.8
128.06169	5.9
129.07018	5.2
130.07806	19.1
131.08594	11.5
133.06493	6.5
133.10124	22.6
133.84508	2.9
135.08080	29.6
135.11717	21.5
137.06081	3.8
137.09583	6.3
141.06950	3.8
142.07759	4.8
143.08583	17.6
145.10120	100.0
147.08022	15.8
147.11681	6.6
149.09644	9.5
151.07538	57.0
153.09145	3.8
157.10100	11.6
159.08044	4.9
159.11719	8.3
161.09592	11.6
161.13226	3.6
163.11177	70.5
164.11465	3.9
165.09099	27.0
169.10069	5.6
171.11664	7.3
173.09557	3.5
173.13258	3.6
175.11188	6.8
177.09151	7.3
181.10248	4.6
181.12041	4.2
185.13255	6.2
187.11154	5.8
189.12729	12.0
191.14285	5.0
203.14279	11.1
207.11742	4.0
207.13760	5.2
213.12750	3.4
215.14302	3.7
221.15346	30.7
225.16455	3.9
229.50885	3.7
233.15384	5.9
241.15800	3.4
245.15370	4.5
263.16376	10.0
269.15649	3.5
286.19391	3.8
287.16357	4.2
307.20380	3.2
325.21689	14.7
343.22662	82.5
344.22922	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07032	1.5
52.07286	1.6
52.70637	1.5
52.95839	1.4
53.03931	5.6
55.01860	7.2
55.05510	21.2
57.03431	10.9
57.07072	11.1
58.06569	4.6
59.04987	7.0
60.04516	2.5
65.03923	3.5
67.05167	2.5
67.05503	33.4
69.03419	12.8
69.07082	11.0
71.04987	23.8
71.37419	2.7
79.05491	25.8
81.03399	5.4
81.06587	2.2
81.07053	34.5
83.04962	6.2
83.08611	1.8
85.02896	1.9
85.06546	6.6
91.05482	42.8
93.07039	81.8
95.04365	3.2
95.04964	62.5
95.08604	100.0
96.08952	2.3
96.78109	1.6
97.06525	19.9
103.05449	4.2
105.07026	95.5
107.04953	4.8
107.07864	3.2
107.08590	59.8
108.05692	2.7
108.09000	1.8
109.06513	24.2
109.10126	6.2
110.90092	1.7
111.08087	2.3
115.05433	7.3
116.06282	1.8
117.07022	33.3
119.08571	31.3
121.06501	18.8
121.10134	20.0
123.08072	26.3
123.11747	2.4
125.05987	3.5
125.09594	2.0
128.06178	5.4
129.06976	6.3
130.07787	20.0
131.08586	12.3
133.06487	7.6
133.10130	20.6
135.08058	29.9
135.11690	15.9
137.05943	4.9
137.09599	6.5
142.07785	3.9
143.08548	16.5
143.22049	1.7
144.09277	1.9
145.06439	3.1
145.10117	83.5
146.10460	1.5
147.08043	17.3
147.11684	5.9
149.09621	7.7
151.07538	49.8
153.09076	3.5
155.08575	3.7
156.09288	2.3
157.10109	11.3
159.08044	4.5
159.11720	12.1
161.05969	2.1
161.09610	7.9
161.13255	4.4
162.10277	1.9
163.07529	4.3
163.11174	66.1
164.11505	2.8
165.09106	23.1
168.09407	1.8
169.10103	4.6
171.11684	6.8
173.09622	4.3
173.13232	3.7
174.10338	1.7
175.11189	4.7
177.09109	6.1
179.07010	6.9
179.08450	2.3
179.10641	2.0
181.10234	2.4
181.12224	3.8
182.10835	2.0
183.11705	3.2
185.09570	2.0
185.13252	2.0
187.11118	8.7
187.14845	2.2
189.09189	2.2
189.12679	9.8
191.08229	2.3
191.10643	3.1
191.14291	2.5
195.11717	3.0
197.13289	5.2
199.11165	3.1
201.12709	3.3
203.14267	10.2
207.10092	3.0
207.11963	2.7
207.13683	8.2
209.13312	2.5
209.15369	4.3
210.10350	1.8
217.12151	1.7
221.13374	1.7
221.15372	31.9
225.12708	2.3
225.16284	2.2
233.15430	4.5
240.23253	2.6
243.13776	2.1
263.16376	8.0
265.08591	2.1
269.15482	4.7
282.08490	2.2
283.20477	1.7
286.19324	6.3
287.19888	3.0
307.20374	2.8
314.07693	1.7
325.21490	9.6
343.11548	4.0
343.19055	3.4
343.22678	85.1
344.23074	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03949	4.2
55.01857	6.7
55.05508	19.0
57.03430	6.6
57.07054	8.8
59.04989	8.0
61.05405	2.2
66.00411	2.1
66.30535	2.1
67.05502	32.5
69.03424	12.7
69.07053	6.4
71.04990	22.1
71.25511	6.4
79.05486	25.8
81.03403	3.3
81.07046	35.7
83.04978	5.4
83.08588	3.4
85.06540	4.2
91.05469	43.0
92.80212	2.3
93.07036	82.1
95.04963	74.1
95.08598	93.5
97.06523	19.8
103.05433	3.5
105.07022	91.0
107.04972	4.6
107.07858	3.4
107.08586	61.5
108.05748	2.9
109.06506	23.6
109.10128	4.9
111.08130	2.0
112.06683	2.1
115.05438	9.5
116.06168	2.2
117.07006	35.1
119.08568	30.1
121.06473	21.1
121.10127	18.9
123.08058	38.5
125.05975	2.8
128.06184	4.7
129.06995	4.1
130.07770	18.4
131.08563	9.1
133.06476	6.0
133.10106	18.5
135.08043	29.8
135.11671	23.8
137.05920	2.9
137.09607	5.5
142.07794	4.4
143.08575	11.9
145.06474	4.3
145.10117	89.1
146.10490	2.4
147.08049	14.2
147.11670	5.8
149.09563	5.6
151.07536	55.2
153.09140	4.8
154.62193	2.3
155.08577	3.5
156.09361	6.0
157.10117	12.3
159.08038	5.1
159.11684	9.9
161.09595	11.1
161.13232	5.4
163.07532	3.2
163.09831	5.1
163.11165	72.4
164.11502	2.9
165.09131	23.1
169.10118	2.8
171.11700	7.3
173.09621	5.6
173.13261	5.1
175.11168	6.0
177.09073	6.4
179.07051	4.6
181.10139	4.7
181.12172	4.3
183.11647	3.4
187.11183	4.4
189.12698	11.7
191.10652	2.5
191.14325	4.2
195.11711	3.2
197.13254	4.5
203.14371	14.3
207.11984	2.9
207.13692	11.0
209.13373	3.5
209.15317	5.0
211.14807	2.7
215.14212	4.3
217.12222	3.0
221.15358	37.6
223.14728	2.7
224.53354	2.5
225.12836	2.6
225.16328	3.0
233.15369	3.3
237.46309	2.5
241.15723	3.4
245.15378	4.1
255.17426	2.7
262.20844	2.3
263.16333	8.3
268.95166	2.2
269.15363	4.7
286.19247	4.1
325.21597	15.1
343.22635	100.0
344.23120	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	5.1
54.12429	1.6
55.01855	7.1
55.05507	17.5
57.03424	8.0
57.07074	11.4
58.06600	2.5
59.04982	5.5
65.03927	2.2
67.05501	28.2
69.03426	13.6
69.07050	6.5
70.18216	8.6
71.04991	23.4
75.73788	1.6
79.05486	27.8
81.03394	2.4
81.07053	39.8
83.04975	7.5
83.08598	4.2
85.06510	4.9
91.05475	42.9
93.07036	81.5
95.04962	60.7
95.08601	95.8
96.08924	2.6
97.06522	18.1
98.20819	2.2
102.86014	1.8
103.05490	3.0
105.07024	97.7
107.04952	4.8
107.08585	61.5
109.06518	20.6
109.10163	5.9
111.08031	2.1
113.05980	2.1
115.05445	7.6
117.07015	33.5
119.04909	1.7
119.08578	36.4
121.06499	21.6
121.10119	18.2
122.07294	2.7
123.08057	30.4
125.05991	3.2
125.09606	2.0
128.06233	3.4
129.06998	7.3
130.07784	20.9
131.08569	10.8
133.06442	8.1
133.10109	19.9
135.08035	29.1
135.11662	16.8
137.05968	4.6
137.09612	5.4
141.06956	3.2
142.07779	6.0
143.08531	12.0
144.09299	2.3
145.06470	2.9
145.10118	100.0
147.08052	16.8
147.11667	5.9
149.09610	7.4
151.07530	53.2
153.09119	3.5
155.08521	4.4
156.09317	5.8
157.10089	14.8
159.08060	6.2
159.11699	11.1
161.09573	12.6
161.13281	5.7
163.07564	3.0
163.11177	75.3
164.11537	2.8
165.09094	22.3
169.10071	5.7
171.11676	9.1
172.37532	2.1
173.09650	5.8
173.13252	5.5
175.11172	5.7
177.09090	7.9
179.07021	4.3
181.10092	3.7
181.12222	4.9
183.11641	5.3
185.09602	2.5
185.13316	3.6
187.11168	6.9
187.14790	2.9
189.12743	13.4
191.10565	2.8
191.14322	4.6
197.11682	2.7
197.13231	3.9
199.11188	3.9
201.12759	4.0
203.14337	11.2
207.10149	4.6
207.13770	8.5
209.15358	5.0
215.14320	4.0
217.12231	4.5
221.15327	32.4
223.14760	3.0
225.12900	2.7
225.16286	2.0
227.14302	2.1
233.15369	6.2
261.91022	2.0
263.16351	9.1
269.15375	4.3
274.19495	1.9
282.09103	1.8
286.19217	5.7
287.16547	3.5
287.19992	3.7
325.21533	13.6
328.20215	2.2
343.22665	95.0
343.26849	4.6
344.23032	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	343.117
Annotation	3,5,6,7-Tetramethoxyflavone
Peak:m/z	Relative Intensity
54.77189	0.2
58.06571	0.3
71.45659	0.3
79.05438	0.2
82.32166	0.2
93.83116	0.2
97.06496	0.3
139.05466	0.3
141.06976	0.4
148.81282	0.2
155.04607	0.2
155.08578	0.2
165.06998	2.1
169.06451	0.2
181.06458	0.6
183.08052	0.5
193.06482	5.5
194.07191	0.3
196.05208	0.4
197.05949	0.2
209.05922	1.1
210.06743	0.5
211.07527	2.3
221.05960	23.4
222.06360	0.9
224.04668	2.1
225.05443	0.6
227.07091	0.2
237.05386	1.6
238.03888	0.2
238.06245	3.5
239.07008	8.6
240.07605	0.4
241.05089	0.2
242.05710	0.8
249.05466	2.0
250.06128	0.6
252.04138	0.4
253.04938	0.5
254.09425	0.6
255.06493	0.5
255.09987	0.2
257.08020	0.7
266.05753	3.5
266.08533	0.2
267.06506	34.9
268.06903	1.6
269.04568	0.3
269.07761	0.2
270.05212	0.7
270.08411	0.2
271.06042	0.4
281.04767	0.2
281.07977	0.3
282.08853	48.4
283.06183	0.3
283.09225	2.0
284.06772	0.9
285.07587	2.6
294.05258	0.5
295.06015	0.7
296.06870	0.2
297.03827	0.3
297.07568	0.4
298.04694	0.4
298.08054	0.2
299.09088	3.9
300.09787	0.3
310.08334	19.2
311.08905	1.7
312.06400	0.3
313.07047	3.3
314.07654	0.4
320.43878	0.3
327.08612	3.8
328.09406	15.1
329.09799	0.6
343.11737	100.0
344.12057	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	343.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	32.3
57.03430	1.2
63.29319	0.8
69.03423	2.9
69.84065	5.0
70.06590	2.8
71.95263	2.2
84.08128	1.2
84.96027	2.6
85.02921	3.0
97.02902	3.0
98.97580	100.0
104.48985	0.9
110.97565	26.5
112.05096	0.8
112.99120	3.0
113.03528	0.9
116.98615	78.3
119.01865	1.0
121.76247	0.9
125.98635	1.4
127.00773	0.8
128.02357	0.8
128.98604	36.9
129.10300	0.8
130.93285	22.1
131.00163	6.5
133.03438	1.0
134.99654	35.7
140.00203	2.1
143.99695	2.1
144.98106	1.4
146.99651	19.9
148.94342	6.5
149.01227	3.8
150.98152	1.8
152.00224	1.1
153.00711	4.4
158.01260	2.0
158.99657	2.2
161.01158	1.0
162.95894	0.9
165.00729	1.6
168.99178	12.1
170.78621	0.7
170.99643	4.1
172.94327	9.8
174.95947	4.1
177.00693	2.5
182.99651	2.9
187.00266	87.1
189.00677	9.6
190.95403	15.2
192.97021	1.3
201.00626	4.6
203.02296	0.9
204.97195	4.2
205.01323	66.5
206.01579	1.0
207.01782	2.5
208.96440	5.6
210.01886	1.6
211.00235	9.9
214.95375	1.1
215.02333	1.1
216.96971	1.8
219.01921	2.5
222.97997	2.6
223.00273	4.9
223.02223	1.2
228.02968	2.8
229.01323	56.2
231.01822	3.4
232.96461	7.6
233.03471	1.3
237.02840	1.3
241.01314	23.2
243.02893	0.9
247.02382	13.6
248.96045	0.9
249.02821	8.7
250.97447	3.9
252.02953	2.0
253.01286	6.0
254.97832	1.0
259.02368	6.8
264.02954	1.7
271.02234	4.7
272.95911	1.5
283.02261	1.3
290.96979	4.1
300.95386	5.4
301.03424	5.6
308.97839	1.3
318.96616	7.0
319.00516	1.1
319.04462	15.0
336.97327	2.3
337.05411	6.7
343.04474	21.0
343.09006	1.4
360.97842	1.8
361.05435	11.1
361.09247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.8
71.63912	3.1
74.08237	2.4
98.97581	32.0
106.00714	1.9
108.54422	2.1
116.98621	30.5
119.01913	3.3
134.99646	20.2
144.41092	1.9
147.42932	2.2
174.97745	2.5
177.00906	13.7
178.01085	2.3
179.00795	3.0
183.06120	4.8
192.98790	7.7
194.98524	4.6
201.01038	2.1
201.07251	3.0
216.98682	11.6
217.98865	2.8
218.03629	4.4
218.98538	7.7
219.01991	24.9
220.02094	4.3
221.01825	7.9
222.01956	3.3
234.96375	10.0
234.99814	29.3
235.99992	5.6
236.99500	20.6
237.99503	2.4
238.99446	2.0
242.03601	2.4
243.01860	2.8
252.97586	10.2
253.00871	4.4
258.01385	2.6
258.96863	3.7
258.99908	31.4
260.00003	3.4
260.04666	5.3
260.99902	6.0
261.03101	20.6
264.98965	2.6
274.97589	4.2
276.97598	25.1
277.01038	34.8
278.01157	4.4
279.00668	7.1
282.99939	57.1
283.06369	5.2
284.00186	9.8
285.00302	3.0
286.00003	3.1
294.98828	3.4
300.02457	2.7
300.97565	30.7
301.01080	100.0
301.97955	3.9
302.01205	14.0
303.00949	7.6
304.00922	4.9
317.99036	4.8
318.98584	51.7
319.01880	3.8
319.98526	3.0
324.02631	6.4
325.00974	9.3
342.00082	5.1
342.98749	4.7
343.02151	51.6
343.08347	3.3
344.02127	6.2
360.99164	19.2
361.03665	17.0
361.99454	2.7
366.03641	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01856	7.0
55.05252	4.5
55.05507	59.6
58.06599	12.2
59.04996	3.3
60.04521	13.7
67.05498	20.2
69.03414	5.5
69.07057	21.6
69.38337	9.2
69.38769	16.6
79.05485	32.3
81.07047	17.5
83.04978	4.1
83.08612	33.6
88.07619	9.5
91.05469	15.4
93.07027	22.6
95.08613	12.0
97.06534	6.0
97.10166	81.4
98.03420	2.9
105.07029	19.5
107.08584	95.2
108.08930	2.3
109.06527	4.4
109.10162	7.2
111.08092	2.2
117.06988	4.7
119.08578	6.5
121.10172	5.3
123.08068	2.4
124.11176	2.7
125.09625	78.5
131.08545	5.7
133.10158	9.0
135.08035	21.0
135.11702	5.2
137.05974	3.3
145.10097	14.2
145.68640	2.6
147.11711	11.1
149.09659	3.0
151.07564	3.5
153.09131	17.7
157.12280	4.7
159.11667	4.7
161.13275	3.9
163.11206	3.8
171.10197	3.1
181.12279	3.1
203.12762	100.0
228.07576	2.8
239.17999	3.4
257.18997	12.5
257.32611	2.5
265.08524	6.0
272.09772	2.6
273.44107	2.8
275.20035	35.3
289.21646	16.3
292.10583	3.3
297.11227	7.4
297.47284	2.5
307.22705	7.3
342.16937	8.5
342.30191	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88984	8.6
55.01872	13.4
55.05506	27.9
58.06600	100.0
60.59689	10.2
64.04625	8.0
67.05503	52.7
69.03429	8.3
69.07061	44.1
71.04996	19.0
71.21694	20.8
71.22041	14.2
78.98016	10.2
79.05481	42.8
80.72088	9.5
81.07061	68.3
91.05480	35.6
93.07014	58.4
95.04974	14.8
95.08599	33.2
97.06533	22.9
98.09681	15.7
105.07018	54.9
107.08586	53.5
109.10167	12.3
119.08585	29.9
121.10181	22.9
123.08044	12.1
125.09635	9.2
131.08588	24.6
133.10110	25.3
135.11679	30.4
137.05981	30.7
138.06326	13.7
145.10100	12.3
147.11690	15.2
159.11691	17.1
161.13184	14.8
163.11163	25.8
187.07520	9.7
195.13776	11.3
204.45612	8.8
222.06720	11.3
230.24733	15.2
237.09059	15.3
265.08545	45.6
272.09985	15.6
275.20181	30.1
282.08875	22.2
292.10419	17.0
297.11279	47.9
337.22525	14.1
342.17160	95.2
342.37292	20.7
343.17255	13.8
343.22507	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	40.3
57.07075	17.8
58.06605	73.1
62.32897	12.6
67.05506	67.7
69.07059	50.1
70.33858	38.2
70.34258	27.8
79.05482	49.4
81.07062	100.0
91.05475	50.8
93.07035	64.2
93.89771	12.7
95.05011	35.9
95.08596	43.4
97.06541	33.6
97.10161	15.1
103.05431	21.0
105.07021	59.0
107.08609	45.8
109.10167	17.5
117.06953	21.8
119.08572	50.4
120.08885	20.3
121.10120	21.4
122.30099	15.6
131.08566	21.9
133.10094	31.9
135.11655	27.8
137.05956	29.9
137.09601	23.7
145.10033	19.9
147.11719	33.3
151.07588	15.8
157.10056	13.1
159.11655	18.7
160.12019	20.1
173.09442	20.5
177.12788	17.5
181.12257	22.1
195.11568	20.2
204.11121	16.8
215.10641	22.6
216.11075	17.1
224.51703	13.7
237.37079	13.7
238.16765	17.9
242.12598	19.6
244.14088	25.8
265.08566	20.8
275.20035	18.0
284.17252	93.5
297.11151	33.0
300.20319	34.8
324.20261	32.4
342.17062	56.3
342.21405	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	342.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06341	0.7
58.06601	9.4
74.06086	0.9
80.74869	0.4
133.02835	0.7
134.03148	0.5
137.06003	1.5
138.06313	0.6
139.02853	0.4
161.05789	0.6
165.06984	0.4
178.07811	0.6
179.08496	1.4
181.06456	0.6
181.10062	0.4
190.07832	0.7
191.08549	4.4
191.19643	0.4
192.09267	0.8
194.07307	1.3
195.08043	0.8
202.07825	0.7
203.08577	1.0
205.06442	0.9
206.07259	0.8
207.08018	3.1
208.08833	3.0
209.05826	0.6
209.09604	1.4
218.07286	1.9
219.08029	4.8
220.08820	6.6
221.06041	0.8
221.09570	2.8
222.06741	2.0
222.10135	0.5
223.07542	1.0
223.11183	4.9
224.08313	2.1
227.06976	0.6
233.06036	0.8
233.09569	2.4
234.06706	1.1
234.10283	0.9
235.07524	5.7
236.08319	15.2
237.09079	4.5
238.09583	0.6
239.10664	3.6
247.07468	2.2
248.08263	1.9
248.10583	0.5
249.05449	1.2
249.09073	3.9
250.06290	0.4
250.09808	2.6
251.06990	1.0
251.10651	19.2
252.07800	2.3
252.10919	1.0
253.08591	0.8
261.05521	1.0
261.09171	1.1
263.06985	1.9
263.10660	3.0
264.07758	2.4
264.11215	0.8
265.08572	5.6
266.09186	1.0
267.06937	0.8
267.10150	7.5
268.10452	0.7
276.07806	1.4
277.04956	1.6
277.08466	3.2
278.09351	1.6
279.10144	35.4
280.07272	1.2
280.10660	2.9
281.08020	1.2
281.11581	0.8
282.08765	1.9
282.11700	0.5
284.10132	0.5
292.07288	1.7
292.10388	0.9
293.08044	0.5
293.11581	1.3
294.12476	100.0
295.09686	34.6
295.12857	5.0
296.10211	3.7
297.11252	4.6
298.11359	0.5
307.09570	5.5
310.11978	49.7
311.12527	3.7
324.12704	0.6
325.14316	53.4
326.14697	2.8
342.17105	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
54.74410	8.6
55.01860	17.4
55.05511	63.9
58.06606	100.0
59.04995	9.0
67.05506	83.8
69.03432	9.7
69.06786	7.5
69.07069	80.7
70.89892	7.6
71.04991	14.5
71.62735	11.0
79.05493	76.4
81.07056	95.8
83.04966	9.9
83.08607	37.7
85.06544	12.1
88.07611	8.1
90.22143	8.1
91.05460	68.2
93.07050	85.1
95.04953	32.5
95.08604	54.8
97.06522	24.7
97.10178	56.1
98.09598	9.1
105.07027	74.6
107.08600	81.4
109.10130	31.0
117.07018	22.4
119.08585	51.4
121.10146	30.2
123.08006	9.8
125.09633	52.7
131.08559	29.7
133.10114	41.3
135.08063	19.2
135.11678	21.3
137.05972	37.4
138.06351	10.7
143.08530	14.4
145.10109	39.2
147.11697	20.7
147.43655	7.5
149.09644	14.7
149.13329	9.2
151.07504	8.7
157.10129	13.5
159.11699	19.7
161.13263	9.9
163.11206	23.7
165.09152	7.5
173.11739	17.4
177.12749	7.3
183.11627	11.3
203.12721	47.2
205.06474	10.6
219.08069	10.2
237.09018	8.7
257.19061	19.5
265.08585	32.4
272.10004	10.9
275.20087	66.2
279.09985	8.1
282.08984	15.9
289.21597	14.9
292.10532	19.3
297.11160	45.3
324.13068	13.4
342.17221	69.8
343.17706	11.5
343.22406	15.0
354.98978	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	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
51.81470	0.7
58.06599	100.0
69.66174	4.2
69.66598	2.5
70.30701	0.9
72.45890	0.7
79.46055	0.7
83.74944	0.7
85.70135	0.9
90.33613	0.9
93.23027	0.8
101.18510	0.8
112.51459	0.8
165.07030	2.1
166.07796	1.6
177.06976	0.9
178.07762	1.7
179.08553	2.4
181.10013	1.1
189.06853	0.8
190.07791	2.3
191.08551	8.5
194.07294	3.4
195.07968	1.3
202.95137	0.8
204.05695	1.3
205.06493	4.3
206.07173	0.9
207.08005	5.6
208.08875	2.2
209.09618	4.2
218.07135	1.0
219.08044	7.2
221.06009	1.8
222.06767	10.6
223.07321	1.6
233.05977	2.5
234.06616	0.9
235.07561	3.9
236.08275	3.2
237.09045	13.9
239.07089	2.0
239.10587	1.2
247.07515	1.8
247.78661	0.8
250.06258	1.7
251.06816	1.1
253.08667	1.1
255.10031	1.6
263.07199	1.2
265.08588	43.6
266.09180	3.3
267.06506	2.6
267.10114	1.2
269.11447	0.9
279.10086	2.7
282.08850	16.9
284.10510	2.5
287.27014	0.8
297.11206	54.2
298.11520	2.3
299.12790	4.3
311.12735	1.7
342.16992	89.7
343.17236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23271	0.6
53.25879	0.5
58.06595	76.8
68.53091	0.6
69.03431	1.0
69.73803	3.5
70.06579	1.7
72.08160	2.0
84.04526	0.9
84.08115	1.0
85.02904	0.7
86.09698	3.9
97.02891	0.7
101.47388	0.5
105.94502	0.5
106.06531	0.6
111.05551	0.9
118.08778	0.6
137.05965	1.4
138.06334	0.7
139.05020	1.1
153.06932	0.6
163.04008	0.8
165.06998	1.7
166.07809	0.9
178.06448	1.9
179.07259	1.4
179.08585	1.9
181.06526	0.8
181.10109	1.6
187.07576	0.6
189.06920	1.2
190.07796	1.4
191.07045	1.1
191.08549	7.1
194.07233	3.1
195.08109	0.9
195.11264	3.7
197.09486	0.6
205.06430	3.4
206.05882	2.8
207.06471	6.2
207.08199	2.7
208.08881	1.7
209.09648	2.7
219.08176	5.5
221.04469	1.0
222.06767	7.0
223.07494	1.7
227.07188	0.6
233.05952	1.8
234.05486	2.4
235.06187	29.9
236.06512	1.1
236.08536	1.4
237.09067	8.3
238.04958	0.7
239.07016	1.6
239.10823	0.8
241.03665	0.7
247.07475	2.4
248.07266	0.7
249.03836	0.7
250.06065	1.9
252.06514	1.1
253.08548	0.9
254.09486	0.6
255.10243	1.1
262.04910	1.1
263.05722	14.5
264.06293	3.1
265.08585	31.6
266.04465	5.2
266.08594	1.1
267.06494	2.8
267.09875	0.7
269.08179	0.9
269.11597	0.9
274.04950	15.4
275.05075	1.1
276.15430	0.7
279.10168	1.3
280.06036	8.6
281.06360	0.8
282.08865	10.6
284.10483	1.8
290.04456	2.8
291.05228	81.4
292.05988	44.9
293.06381	1.6
294.03830	1.3
296.09183	1.8
297.11200	41.9
298.10895	4.0
299.12778	5.1
309.06274	14.9
311.12817	0.8
324.08640	100.0
325.08737	5.0
335.84207	0.7
342.10132	17.4
342.16956	86.7
343.17343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14452	1.0
53.03933	2.5
55.05509	11.3
57.07071	5.7
58.06573	2.9
59.25227	0.9
65.03915	1.7
66.55560	0.9
67.05172	1.6
67.05497	23.2
69.07063	93.8
69.50662	2.3
69.51074	6.8
71.04967	2.4
71.08607	3.4
77.03882	1.0
79.05058	1.6
79.05484	27.5
81.07050	60.4
82.07394	1.4
83.04934	1.1
83.08611	9.6
85.06527	2.2
90.11488	1.2
91.05460	24.9
93.07035	63.8
94.07346	1.8
95.04932	4.0
95.08601	54.1
96.08878	1.9
96.91505	1.1
97.06497	3.3
97.10122	3.2
98.20695	1.0
99.08099	1.6
103.05485	1.5
103.98758	1.1
105.07023	65.9
106.07344	1.3
107.04918	1.2
107.08588	41.2
108.08898	2.0
109.06508	2.2
109.09449	1.7
109.10149	24.5
109.38023	1.1
111.04403	1.3
111.08041	5.0
111.11755	1.2
115.05402	2.5
116.06187	1.1
117.06997	11.5
119.07786	1.7
119.08575	27.1
121.06476	2.2
121.09296	1.7
121.10125	24.7
122.10497	1.1
123.04381	1.8
123.08052	2.8
123.11695	8.0
125.05964	9.9
125.09626	1.1
128.06175	3.2
129.07002	11.2
131.08557	43.4
132.09279	1.7
133.06480	2.1
133.10120	74.9
134.10756	0.9
135.08022	2.0
135.11681	61.5
136.11978	1.7
137.05968	8.8
137.13245	8.6
139.07530	24.4
141.06911	3.3
141.09064	2.3
142.07797	5.6
143.07484	1.3
143.08553	23.9
144.09232	1.3
145.10114	64.4
146.10419	1.6
147.07974	2.3
147.11682	20.4
148.11871	1.2
149.05957	1.3
149.09515	1.4
149.13283	10.1
151.07556	8.1
151.11003	1.0
153.09053	2.7
154.07695	1.3
155.08531	10.9
156.09248	3.8
157.08934	1.7
157.10126	27.5
158.10635	2.1
159.07976	2.9
159.10440	2.1
159.11687	40.2
160.12036	1.7
161.09589	3.8
161.13246	39.2
163.07529	2.0
163.14812	18.1
165.09081	1.8
167.08539	1.8
168.09277	3.1
169.10126	17.0
170.10608	2.2
171.08020	1.8
171.11685	36.6
172.12056	1.6
173.05872	1.3
173.09589	2.3
173.13248	16.6
174.13681	1.1
175.07420	1.5
175.11057	3.2
175.14893	5.5
176.14946	1.1
177.09138	2.7
179.10599	1.6
179.14279	11.3
181.10080	3.4
182.10916	2.7
183.11671	33.3
184.12195	3.4
185.09691	1.6
185.13255	33.0
186.13893	1.3
187.07484	3.7
187.11235	5.3
187.14796	15.2
189.09096	4.6
189.12723	10.6
189.16389	4.8
191.10620	4.0
191.14307	2.3
193.10020	1.7
195.11649	3.6
196.12325	1.8
197.09517	1.3
197.13255	25.2
198.13750	2.2
199.11096	2.8
199.14815	25.3
200.15387	2.3
201.16402	14.4
202.16937	1.3
203.08435	0.9
203.10616	4.6
203.17865	2.9
205.12177	5.8
207.13788	19.0
209.13182	3.1
209.15157	1.4
210.13890	2.0
211.11150	2.9
211.14798	13.3
212.15256	1.7
213.12962	1.7
213.16377	31.2
214.16676	1.5
215.10565	2.3
215.14334	1.8
215.17891	2.6
217.12286	5.5
219.13762	1.9
221.13184	1.1
223.14799	2.9
224.15172	1.4
225.12688	2.4
225.16380	15.2
226.16760	2.2
227.17943	17.8
228.18707	39.6
229.12100	3.9
229.19057	3.0
231.13721	4.7
231.17303	1.2
233.15300	1.4
235.14871	2.2
237.16333	3.0
238.17053	1.4
239.17923	54.5
240.07768	1.1
240.18272	3.4
241.15804	1.2
241.19460	12.3
243.13725	3.3
245.15335	1.4
252.18724	1.5
253.15866	2.4
253.19484	21.7
255.17458	1.2
255.20958	5.1
257.15369	2.5
257.18936	3.2
259.16852	1.7
263.10623	1.5
265.08481	1.3
267.17404	3.4
267.20953	2.7
269.22540	4.0
270.08856	1.2
271.09564	3.6
271.16821	3.5
271.19843	1.8
272.20306	2.0
273.18552	5.8
281.18845	2.9
285.18484	20.6
291.10001	3.6
294.86792	1.1
295.24173	100.0
296.24487	5.7
297.11014	1.6
297.25729	14.7
299.20013	3.8
305.22510	2.6
313.25238	11.5
323.12659	1.2
323.20142	2.1
323.23529	12.4
335.94147	1.1
341.21255	4.5
341.24628	82.2
342.16940	1.6
342.24957	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	341.211
Annotation	Norethindrone acetate
Peak:m/z	Relative Intensity
50.23132	2.0
55.05513	14.3
57.07060	3.3
58.06580	7.1
63.24447	2.1
65.08682	2.2
67.05489	8.5
68.21020	2.2
69.07067	8.3
70.79895	7.3
71.04976	3.6
71.37708	3.1
71.61179	2.3
77.86496	2.2
79.05489	13.6
81.07053	35.3
83.04975	14.4
83.08656	2.7
85.81446	2.0
91.05454	10.9
92.63844	2.2
93.07048	13.0
95.04974	5.8
95.08607	12.7
96.71334	2.1
97.06509	2.9
105.07040	12.0
107.08578	12.2
109.06544	4.9
109.10125	4.9
111.04430	9.7
112.00854	2.2
117.07047	2.8
119.04955	4.5
119.08579	39.5
120.59126	2.2
121.06465	2.6
121.10133	10.1
123.08061	10.5
125.09615	3.3
128.06180	3.4
129.06985	9.1
131.08586	10.7
133.06482	10.1
133.10130	10.5
135.08047	4.9
135.11665	4.6
137.05977	33.0
137.09593	14.2
142.07745	7.2
143.08543	13.1
144.09293	4.3
145.10104	11.7
147.08124	3.2
147.11685	5.1
149.04732	2.6
149.05994	2.7
149.09590	3.9
151.07539	27.8
151.11168	5.2
155.08598	6.2
156.09306	10.7
157.10127	21.5
159.08023	3.6
159.11711	18.1
161.09624	3.6
163.11206	2.2
165.05556	2.5
165.06992	3.7
165.09189	4.0
167.08527	6.0
169.10097	12.7
171.08043	3.2
171.11661	29.6
172.08830	8.6
172.12503	4.6
173.09660	6.4
173.13272	8.2
175.07545	8.0
175.11192	5.1
177.09138	3.7
179.07066	5.3
180.09341	5.1
181.10161	8.3
182.10837	4.4
183.11674	9.4
185.09633	6.3
185.13272	5.5
187.07576	12.8
187.11183	18.9
187.14806	4.5
188.08308	12.0
189.09154	10.8
189.12718	3.9
191.10686	7.5
193.10158	4.1
194.10928	2.3
195.11668	12.8
196.12526	4.0
197.09613	5.1
197.13168	10.6
199.07428	3.2
199.11209	12.7
201.09102	5.0
201.12746	3.7
202.09918	4.9
203.08670	2.9
203.10623	29.2
207.11755	4.1
209.09633	4.8
209.13255	6.5
210.10414	4.7
211.07568	4.9
211.11209	6.2
211.14822	9.4
212.15613	2.8
213.09271	5.6
213.12714	9.7
214.09930	2.6
215.10689	42.0
217.08623	2.8
217.12225	6.4
219.11865	2.9
221.13313	5.0
222.14000	4.1
223.11136	8.0
223.14752	5.4
225.09157	8.6
225.12729	7.9
225.16351	3.8
226.09874	6.6
227.07097	3.2
227.10674	6.2
227.14333	2.8
227.18022	2.7
228.11401	5.4
229.12309	5.3
229.15883	6.0
231.08022	2.9
235.11151	2.1
235.14981	3.6
237.12758	5.1
237.16359	10.5
239.07175	2.4
239.10657	7.2
239.14319	7.7
239.18025	3.7
240.11453	6.6
241.12273	19.3
241.15782	2.7
243.13818	31.9
247.07625	2.8
248.08234	5.4
249.12729	2.9
250.13496	2.7
251.10690	3.1
253.12238	5.9
253.15921	4.0
253.19539	7.2
254.13113	2.6
255.13808	12.9
255.17374	11.8
257.15393	5.0
263.17886	2.6
265.12473	2.9
265.15854	7.0
266.13107	3.0
267.13846	4.6
268.14615	6.8
269.15335	6.9
270.08865	2.5
271.09668	8.8
271.16956	4.2
275.14221	3.7
277.19708	2.7
279.17480	2.8
280.14572	2.9
281.15414	8.6
281.19064	8.1
283.16925	100.0
284.17285	2.5
285.15085	3.4
286.15579	4.7
291.10117	10.4
293.15341	3.0
295.20587	8.2
297.11261	3.1
298.15817	12.3
299.16571	4.7
299.20032	29.3
305.19025	7.0
308.17749	3.7
323.12683	7.3
323.20108	35.3
326.18768	8.8
341.13867	6.4
341.21118	73.7
341.24649	3.7
342.17032	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01877	1.7
55.05514	3.5
58.06598	4.0
60.44240	1.1
69.62758	7.9
71.04990	3.6
73.50839	1.1
79.05489	1.6
81.07034	2.8
82.06578	1.3
83.08627	1.2
91.05476	4.3
93.07032	1.6
94.04169	3.8
95.04997	2.1
98.20750	2.6
100.11258	9.8
101.11621	2.1
107.05008	1.6
109.06520	2.4
111.04478	2.3
115.05449	1.8
119.04989	1.6
119.60315	1.2
121.06477	1.6
121.10134	1.6
122.03629	8.1
125.05995	1.7
128.06226	2.0
129.06992	8.0
131.04921	3.8
131.08511	1.6
132.05681	1.2
133.02831	7.9
137.05975	100.0
138.06325	2.6
143.08527	1.5
144.05687	3.4
145.06479	1.9
147.04300	1.4
149.05992	4.2
151.03891	3.2
151.07532	7.4
152.06172	1.5
153.05504	1.7
155.04869	1.5
157.06509	4.4
159.04469	1.9
160.05161	4.3
161.05917	2.4
163.07585	2.8
165.05476	5.5
165.06900	2.2
166.45316	1.3
168.05705	1.6
172.05148	3.6
174.06781	8.4
174.72694	1.4
175.07536	17.3
176.06271	1.4
176.08142	1.2
177.05482	6.1
177.09174	2.5
178.07819	2.4
179.07022	5.0
182.15334	2.7
183.15799	1.5
187.03972	2.6
187.07536	33.3
189.09114	15.7
191.08546	3.0
193.10173	1.6
195.08101	1.8
196.05226	5.7
197.05852	1.4
199.07562	3.4
202.07806	3.1
203.08585	13.0
205.08578	2.0
208.05208	1.9
209.09631	1.5
210.14911	2.8
211.07553	20.2
213.05464	4.1
213.68051	1.5
217.08568	11.8
219.08072	7.7
220.08849	7.8
221.05896	1.5
221.09470	1.6
222.06868	1.7
223.07578	7.2
225.05511	1.5
225.09198	1.4
227.07027	7.0
227.67694	1.4
228.07887	1.7
231.08011	13.9
232.08841	2.9
233.06021	4.3
233.09698	1.9
235.07547	3.7
236.08339	4.1
237.09164	2.3
238.06200	2.8
239.07030	16.5
240.07799	10.2
247.07503	6.3
248.08295	20.3
249.09103	4.4
251.06993	2.5
251.10672	5.6
253.08530	3.2
254.09448	1.6
255.06468	8.4
256.07257	7.9
259.07526	6.6
260.08398	2.5
261.09064	2.7
262.06113	1.7
263.06927	1.3
263.07919	1.8
263.10681	18.1
264.07770	4.1
264.10721	2.1
265.08521	5.9
266.05734	2.2
268.07236	4.0
270.08859	16.6
271.09637	47.7
276.07813	10.6
277.08542	5.6
277.22952	1.9
278.09177	1.7
279.10135	11.6
280.09747	3.6
281.08090	43.4
281.11374	2.7
283.09708	8.2
291.10129	57.4
292.10727	6.2
293.08005	5.4
294.09128	2.6
294.12527	8.8
295.09665	4.5
296.10413	7.2
297.11172	5.7
308.10385	7.1
309.11191	3.7
310.11887	3.3
311.12869	12.3
313.14453	3.5
318.04062	1.4
323.12781	32.4
324.08646	17.9
324.12915	3.3
325.14322	4.9
326.92502	1.3
341.13861	26.7
343.30768	1.5
344.31046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01349	1.2
58.06592	1.3
67.97063	1.2
69.72623	8.7
71.04989	5.2
79.05489	1.7
81.07043	2.7
91.05466	3.0
94.04177	3.0
95.04986	1.8
97.06508	2.0
98.21484	1.6
103.05417	1.6
107.04932	2.4
109.06544	3.3
111.04440	1.6
115.05457	2.6
117.07053	1.9
119.04963	1.3
119.08529	1.5
122.03642	9.0
125.05965	1.1
128.06226	2.4
129.06969	7.7
131.04924	1.9
133.02850	7.7
135.04362	1.5
137.05974	100.0
137.87645	1.1
138.06316	1.6
139.05417	1.2
143.04964	2.0
144.05696	5.0
145.06375	2.8
147.04382	1.5
149.06004	5.0
151.03940	3.4
151.07536	6.6
153.05479	2.0
153.45111	1.1
157.06516	7.0
160.05206	5.5
161.06067	2.6
163.07533	2.1
165.05479	4.9
168.05690	2.4
171.08069	1.6
172.05205	5.0
173.06129	1.6
174.06732	7.7
175.07555	18.0
177.05452	7.2
177.09085	2.9
178.07848	1.3
179.07028	5.1
187.07535	35.1
187.09146	2.2
188.08003	1.4
189.09114	13.4
190.07904	2.0
191.08583	2.5
196.05174	6.7
197.05870	3.2
199.07596	4.4
202.07780	3.5
203.08574	12.8
205.06509	3.5
205.08456	2.5
210.06828	1.5
211.07553	21.1
211.11145	1.1
212.04930	1.4
213.05470	5.4
217.08545	13.6
217.10385	1.9
219.08061	9.8
220.08801	8.6
221.09665	3.3
222.06726	3.5
225.05537	2.2
225.09271	1.3
227.07048	17.6
228.07780	3.9
231.08008	13.6
232.08856	3.8
233.05986	4.2
233.09778	1.2
234.06848	2.1
235.07521	2.5
236.08290	3.8
237.09108	3.1
239.07010	15.5
240.07782	16.7
241.04924	1.8
241.08647	2.6
247.07549	8.5
248.08315	24.5
249.09053	3.8
250.06296	2.0
251.06993	1.7
251.10690	4.2
252.07603	1.4
253.08495	2.7
254.09380	1.9
255.06528	14.1
255.09352	1.5
256.07306	9.1
259.07574	5.9
260.08215	2.6
261.09021	2.9
262.06161	2.5
262.09872	1.9
263.10681	20.1
264.07864	2.8
264.11084	1.8
265.08612	16.1
268.07358	5.1
269.08286	1.7
270.08850	28.0
270.11685	2.1
271.09637	44.8
272.10040	2.3
276.07831	11.0
277.08569	4.5
278.05768	2.0
279.10254	9.0
280.10904	2.5
281.08154	2.6
281.11765	2.6
283.09668	13.7
290.09332	1.7
291.10138	55.0
292.10733	4.2
293.08054	8.4
295.09537	1.6
295.13242	1.3
296.10440	7.9
297.11252	3.8
305.11548	1.8
308.10498	9.1
309.11215	12.5
310.11996	1.4
311.12766	9.0
313.14340	1.7
323.12811	36.7
324.13092	1.6
326.09717	1.4
341.13919	25.4
342.13919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49625	1.0
58.06605	1.0
65.04336	1.1
66.26671	0.9
69.99982	5.3
75.38980	0.9
76.79834	1.1
79.05473	1.3
81.07045	1.6
83.98164	1.1
91.05472	4.5
94.04170	4.3
95.04927	1.2
98.20806	1.1
103.05461	1.5
105.07015	3.7
107.04931	1.7
109.06501	3.0
115.05437	4.3
117.07031	1.8
119.08565	4.0
122.03651	9.2
128.06223	2.8
129.07018	2.3
131.04912	1.8
132.05696	4.4
133.06465	3.7
137.05978	100.0
138.06306	2.0
145.06487	2.7
147.04373	1.7
147.08022	4.3
149.05998	2.3
159.08055	2.2
160.05200	3.1
161.05969	10.4
163.07472	1.1
165.06926	1.2
171.08179	1.6
172.05135	1.2
175.07547	39.3
176.07950	1.2
179.08578	1.0
187.07544	8.2
189.09027	1.4
190.07744	4.4
191.08592	8.7
199.07558	8.8
202.07791	5.4
203.08578	7.3
207.08063	1.5
208.08809	1.4
217.08548	1.9
218.07243	2.5
219.08046	10.8
220.08759	4.1
221.09613	1.6
231.08060	7.0
232.08719	1.7
234.06934	1.1
236.08270	2.5
247.07556	4.6
248.08304	3.2
251.10683	11.9
259.07669	2.6
260.08255	1.5
261.09094	1.8
263.10645	3.3
266.09277	1.1
276.07730	1.7
277.08618	2.2
279.10114	9.7
280.10681	1.8
281.11655	1.3
282.08505	1.1
291.10089	6.9
292.10938	4.6
295.13229	1.2
296.10110	1.1
309.10806	1.8
311.12796	8.6
323.12735	3.8
341.13739	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.62867	1.0
57.99531	1.0
58.06594	4.1
59.66267	0.9
59.78450	1.0
67.05508	1.1
69.07058	1.2
70.30067	4.6
70.30461	1.9
71.04990	2.5
79.05493	1.8
81.07061	2.0
89.03925	1.0
91.05482	4.1
93.07068	1.3
94.04176	3.2
95.08628	2.1
97.06523	1.2
103.05496	1.2
105.07042	3.1
107.04955	2.2
107.08608	1.6
109.06563	2.6
109.10087	1.0
115.05464	2.9
117.07014	1.6
119.04935	1.5
119.08570	1.5
121.06474	1.6
122.03648	8.1
128.06252	2.1
129.06996	5.6
131.04922	2.4
133.02856	2.8
133.06540	1.8
137.05975	100.0
138.06313	1.9
143.04912	1.5
144.05701	2.5
145.06476	1.7
147.04420	2.3
147.08066	1.7
149.05974	3.3
151.03870	2.2
151.07545	3.9
153.05408	1.4
157.06512	3.1
160.05188	3.7
161.05965	5.6
162.06784	1.8
163.07617	1.5
165.05502	3.1
165.06935	1.3
168.05644	1.7
172.05232	3.0
174.06812	5.3
175.07550	25.9
177.05493	4.2
177.09109	2.4
179.07065	3.3
185.05997	1.2
187.07550	23.3
189.09081	7.3
190.07819	3.0
191.07014	1.5
191.08566	5.9
191.10265	1.2
196.05272	2.6
199.07558	6.8
202.07794	3.8
203.08572	10.8
205.06566	2.2
205.08543	1.3
207.07968	1.5
208.08864	1.7
211.07568	13.4
212.04518	1.5
213.05502	1.4
217.08598	7.6
218.07280	1.8
219.08025	8.3
220.08809	5.1
221.09564	1.2
225.05394	1.9
227.06999	11.1
228.07869	2.0
230.07343	1.1
231.08076	11.0
231.10300	1.6
232.08771	2.4
233.05994	2.7
233.09666	1.3
234.06839	1.3
235.07643	3.3
236.08266	2.2
237.09155	3.5
239.07030	9.1
240.07802	8.0
241.04950	1.5
241.08745	1.7
247.07507	5.1
248.08325	14.7
249.09097	2.9
250.06221	1.9
251.10652	6.4
253.08714	1.5
255.06586	6.8
256.07346	5.1
259.07523	5.1
260.08325	2.4
261.09122	2.9
262.09839	1.9
263.07300	2.0
263.10687	13.4
264.07785	2.5
265.08603	5.5
268.07257	3.0
269.08139	1.1
270.08887	15.2
271.09619	26.1
276.07901	6.6
277.08539	4.1
278.09430	1.2
279.10181	10.3
280.10834	3.0
281.08142	1.9
281.11771	2.9
283.09625	9.1
285.11279	1.2
291.10153	35.4
292.10776	5.1
293.08136	3.0
295.09503	1.2
295.13245	1.8
296.10422	3.7
297.11081	3.3
305.11731	1.3
308.10416	5.0
309.11249	1.5
311.12848	10.5
323.09497	0.9
323.12753	23.4
341.13873	17.2
342.17017	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01884	1.2
57.45947	1.4
58.06596	21.0
65.85481	1.4
67.05490	1.8
70.04945	7.2
79.05476	4.2
81.07047	4.8
83.04943	1.4
91.05464	6.4
93.07069	1.9
94.04177	3.2
94.04784	1.2
95.04951	2.0
95.08582	3.2
100.15010	1.2
103.05448	4.2
105.07038	10.2
107.04948	3.4
107.08557	2.9
109.06504	3.6
115.05452	4.3
117.07008	1.8
119.04956	3.2
119.08564	5.0
119.13973	1.4
121.06472	2.3
122.03648	9.2
128.06163	2.0
129.06990	7.9
131.04916	5.1
132.05736	2.5
133.02844	5.4
133.06474	6.9
133.72296	1.4
135.04399	2.1
136.72198	1.3
137.05975	100.0
138.88477	1.3
144.05647	3.2
145.06450	2.5
147.04401	3.8
147.08005	4.2
149.05917	3.2
151.07510	3.1
157.06496	5.2
159.08078	2.8
160.05177	3.1
161.05989	17.6
162.06769	2.5
163.07545	2.7
165.05505	2.5
165.07014	2.2
167.07030	4.2
172.05226	7.0
174.06744	5.7
175.07536	24.7
177.05547	2.4
177.09077	1.7
178.07787	1.6
179.08542	2.0
187.07524	32.0
188.08202	1.9
189.09091	11.0
190.07768	2.0
191.08528	7.3
199.07503	4.4
202.07762	2.2
203.08594	12.1
205.06456	2.0
205.08421	1.4
207.08055	3.7
208.08835	3.2
209.09508	1.8
211.07484	4.0
217.08594	16.7
219.07971	13.2
220.08775	4.5
221.05984	3.0
221.09622	1.8
222.06750	2.4
227.07039	5.4
231.08015	13.4
232.08693	1.8
233.05965	3.0
235.07520	5.9
236.08348	4.2
237.09120	7.0
239.07071	2.9
240.07784	1.4
247.07527	8.8
248.08347	13.9
249.09053	6.1
250.06279	2.8
251.10739	10.1
252.07800	1.9
253.08560	2.0
254.46196	1.4
255.06456	3.8
259.07617	7.9
260.08224	1.7
261.09027	3.8
263.07022	3.4
263.10632	13.2
264.07660	4.0
265.08569	11.5
270.08813	6.1
271.09576	4.6
275.06870	1.4
276.07861	7.5
277.08627	4.0
279.10132	13.8
280.10669	2.0
281.08142	2.3
281.11530	3.1
282.09045	3.0
283.09653	2.8
291.10150	27.5
292.10657	2.1
293.08170	6.9
295.09702	1.6
296.10379	4.1
297.11267	12.1
308.10434	3.8
309.11209	8.8
311.09372	2.4
311.12784	14.3
313.10825	2.5
323.12903	22.0
325.10516	1.9
341.09995	2.5
341.13751	22.2
342.13596	1.7
342.17111	18.5
351.65295	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03928	0.3
55.01849	0.2
57.11102	0.2
58.06596	2.5
67.05479	0.3
69.03405	0.6
70.06578	0.7
71.63786	0.3
72.08116	0.3
73.04784	0.3
76.16026	0.2
79.05475	0.6
81.03407	0.5
83.04982	0.3
84.08134	0.7
85.02898	1.3
86.09717	0.6
89.03905	0.5
91.05830	0.5
94.86624	0.2
95.04960	0.6
95.08607	0.3
97.02876	0.6
105.03397	0.6
105.07050	0.3
107.04949	0.3
109.02872	0.4
111.39378	0.3
117.03391	0.5
123.04425	10.9
133.02852	10.7
133.06601	0.2
135.04425	2.1
136.06137	0.3
137.05968	4.0
149.07092	0.4
151.03891	3.8
159.07947	0.5
161.05949	0.6
163.03918	1.6
163.07510	0.5
165.05470	0.3
167.07050	0.3
175.07568	0.6
179.03391	100.0
180.03708	1.9
187.07512	1.0
191.06944	0.3
191.08566	0.3
203.08629	0.3
211.07423	0.4
217.08620	0.7
227.06946	0.6
231.08124	0.5
235.07475	0.3
239.06906	0.3
240.07874	0.3
247.07529	0.3
248.08333	0.6
262.06201	0.6
263.06119	0.3
263.10675	0.4
265.04764	0.4
265.08698	0.3
270.08923	0.4
271.09610	0.6
279.10010	0.3
280.07031	0.3
291.10172	1.1
295.06189	0.3
323.09055	0.8
323.12540	1.1
323.15805	0.3
324.08783	0.4
341.06439	0.4
341.10117	1.2
341.13794	0.8
342.13242	0.5
359.02802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02392	0.2
53.03934	0.3
57.03432	0.2
58.06576	0.3
61.02921	0.3
65.87445	0.2
69.03428	1.1
70.06602	0.2
70.44585	0.7
81.03403	0.4
85.02899	1.7
87.04454	0.2
89.03894	0.4
91.05755	0.2
95.04935	0.2
97.02886	1.1
99.04496	0.2
105.03381	0.2
108.04404	0.2
109.02887	0.3
117.03384	0.2
123.04424	9.4
127.03902	0.3
133.02853	8.3
135.04420	1.7
137.05946	0.7
138.95177	0.2
145.98941	0.2
151.03894	3.4
163.03780	0.3
167.07008	0.2
175.07552	0.3
179.03392	100.0
180.03732	1.6
187.07523	0.4
269.62592	0.2
271.09549	0.2
323.12570	0.4
341.08701	0.7
341.13779	0.2
359.02625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.05518	23.3
57.03428	6.9
57.07072	9.2
58.06601	27.0
67.05511	65.2
69.07072	19.1
70.06585	6.2
71.08604	5.0
79.05496	30.8
81.03450	6.5
81.07055	72.7
82.07401	5.3
83.04967	21.0
83.08617	8.8
85.06544	16.4
91.05480	36.6
93.07049	46.2
95.04961	8.8
95.08620	29.7
105.07031	60.5
107.04937	6.6
107.08595	54.0
109.06531	8.6
109.10158	63.2
117.07028	5.9
119.08584	21.8
121.06553	4.4
121.10150	14.7
123.08086	4.9
123.11714	20.0
129.07042	5.2
131.08582	17.3
133.06450	4.2
133.10139	100.0
135.11720	6.4
137.05989	31.9
142.07852	4.8
143.08549	6.7
144.08897	5.0
145.10143	12.2
147.11688	9.8
149.05927	5.6
149.09579	6.1
151.11191	94.8
157.10123	6.8
159.11697	13.3
161.05963	5.0
161.09608	7.3
169.10114	6.2
171.11659	6.8
177.09164	7.0
179.10625	6.3
183.13841	24.1
187.07480	11.8
189.09251	5.7
202.16762	6.9
203.08588	7.4
209.12164	4.7
211.07524	10.0
212.15265	6.7
217.08620	5.8
229.50250	5.3
239.07123	9.0
248.08394	8.7
254.19925	4.5
263.10690	6.7
265.08563	6.1
270.08881	8.8
271.09735	15.2
276.07959	4.8
282.23050	6.2
291.10144	22.2
295.24200	6.9
311.12985	5.4
322.26138	6.7
323.09232	4.6
323.12723	9.3
339.78024	6.0
340.12064	4.3
340.27066	57.8
340.30405	6.3
341.13953	11.9
341.24768	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	340.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.05499	1.7
58.06597	11.3
69.03432	1.0
69.07069	0.9
69.20605	0.6
69.56735	5.5
70.87074	0.6
71.37060	0.6
79.05467	1.2
81.07030	0.7
83.08595	1.3
85.80803	0.6
91.05462	1.2
91.88705	0.7
93.07058	1.3
97.06525	1.5
98.20701	1.2
99.04425	1.1
100.11253	5.3
105.07019	4.5
106.07354	1.8
107.04929	0.7
107.08578	0.8
122.03671	0.8
128.06178	0.7
129.06926	1.2
131.04971	1.0
133.02841	0.8
133.06491	0.8
133.10126	1.6
134.10448	1.7
137.05981	4.3
146.03242	0.8
147.04384	1.5
149.05989	0.7
150.06682	0.8
151.03954	0.8
159.08015	0.9
161.05988	1.6
161.09636	1.4
162.06755	2.6
162.09962	3.3
163.03891	0.7
163.11125	1.0
167.07039	1.3
175.07437	0.9
177.05428	2.6
178.05885	1.9
179.08542	0.8
182.15320	1.9
187.07526	2.3
189.09096	1.2
190.07782	1.0
190.09399	1.4
191.08554	0.9
191.10600	0.9
195.08011	1.3
202.07695	0.9
203.08487	1.7
205.06499	2.9
206.07301	1.1
208.08766	0.7
209.09572	1.9
210.14828	1.9
217.06462	1.0
217.08479	0.8
218.07291	1.6
219.08110	3.6
220.08701	2.6
221.05969	1.0
221.09569	1.5
222.06522	0.9
223.07471	1.5
224.08099	0.6
227.17517	0.9
231.08003	1.9
234.06775	1.8
235.07521	3.8
236.08136	2.1
237.09090	5.6
238.06152	0.7
239.06950	0.9
247.07486	2.9
248.08221	3.8
249.09100	4.2
250.09842	1.9
251.06966	3.3
251.10680	0.9
252.07449	0.9
252.67198	0.7
253.08507	0.9
259.07498	1.2
261.09097	2.8
262.06281	1.5
262.09778	2.0
263.07117	5.2
263.10611	4.3
264.07538	1.5
265.08582	16.7
265.11404	0.9
266.09155	2.3
267.06485	1.8
267.09979	1.4
275.07153	2.1
276.07758	4.0
276.72876	1.3
277.08502	9.2
277.11078	0.7
278.05750	2.7
278.09357	15.7
279.06470	6.2
279.09991	3.3
280.07269	1.0
281.11618	1.5
282.08728	0.8
283.09540	1.8
289.08569	4.1
290.09253	1.9
291.06787	1.4
291.10156	5.1
292.10913	9.1
293.08072	38.1
293.11319	2.0
294.08795	9.0
295.09515	1.9
297.11322	3.1
307.09576	4.3
308.10397	59.0
309.11066	13.8
310.11514	1.0
311.09152	2.5
312.12561	2.0
323.12744	100.0
324.04874	0.8
324.13156	4.4
340.07849	1.6
340.11777	11.2
340.15494	3.8
341.10315	0.9
341.13821	6.4
343.30597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75067	1.8
54.88785	1.6
58.06597	15.5
71.24903	4.1
72.04507	19.0
75.04471	2.0
101.63898	1.7
117.07027	1.7
123.37481	1.8
137.05927	4.3
165.07045	3.4
178.07762	3.2
179.08505	6.2
181.10312	1.9
189.07001	3.7
190.07864	2.6
191.08563	8.0
193.10188	2.3
195.07826	1.9
203.08398	3.1
204.08002	11.4
205.06494	16.1
205.10051	2.2
206.07297	3.7
206.09602	7.9
207.08032	4.6
209.09634	3.3
216.05605	2.2
216.08099	6.1
217.06470	10.8
217.08861	6.8
218.07211	4.1
219.08060	22.1
221.06081	3.6
221.09572	20.0
222.09143	4.4
223.07498	2.4
232.09077	14.1
233.06079	18.8
233.09927	10.5
234.06709	10.6
234.09129	33.2
235.07483	9.3
236.08362	4.1
237.09044	8.3
247.07523	6.1
248.08319	21.2
248.10667	7.3
249.09059	29.4
249.11487	96.3
250.06203	2.0
250.08563	43.1
250.11563	2.6
262.08719	2.1
263.10663	48.8
264.11508	34.5
265.08557	55.7
265.11053	26.0
271.09811	2.1
277.10999	29.4
278.08130	6.9
279.10083	4.4
280.10876	51.5
280.13425	17.8
284.17267	3.0
291.10211	2.0
293.10461	59.5
295.13275	100.0
308.12784	99.4
309.13300	2.1
340.11832	2.9
340.15509	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	340.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
58.06597	14.6
60.04522	4.0
61.78267	0.6
69.07044	0.7
75.04469	1.8
81.07033	1.2
82.97230	0.6
86.06063	8.8
91.05465	1.1
93.07070	0.7
100.11237	0.6
105.07030	0.8
107.08567	0.9
120.01582	0.7
121.39936	0.6
131.08583	0.7
137.05954	3.6
149.05875	0.9
152.06310	0.7
165.06993	1.7
166.07739	1.0
167.08546	1.9
177.05531	1.4
178.06004	1.1
178.07756	11.3
179.07292	0.7
179.08562	5.5
187.07555	1.9
189.06966	8.3
190.07718	2.5
191.08560	6.8
192.05652	0.6
193.06488	1.1
193.10139	3.2
194.07301	1.3
195.08032	2.7
202.07785	1.7
203.08536	4.9
205.06480	6.4
206.07240	9.3
207.08081	5.7
209.09558	1.3
217.06479	13.5
217.08521	0.8
218.07268	15.2
219.07921	3.5
220.08731	1.1
221.06058	1.3
221.09605	19.6
221.15529	0.7
222.10309	2.2
223.07565	2.4
231.08032	2.4
233.05960	12.4
234.06773	18.7
234.09134	1.4
235.07529	9.6
237.09113	6.9
238.09874	1.7
239.07013	1.4
248.08281	2.3
249.09108	50.9
249.11342	2.5
250.09877	40.0
251.07042	22.2
251.10446	2.1
252.07550	0.8
253.12233	0.9
263.06805	1.0
263.10773	1.2
265.08463	1.9
265.11047	1.4
266.09399	18.0
266.11792	1.6
269.12366	1.2
270.08868	0.8
271.09650	1.3
280.13211	1.6
281.11700	100.0
282.12021	2.4
288.78058	0.6
291.10135	2.0
293.07104	0.8
306.71313	0.6
307.12094	1.7
308.13025	1.1
316.09512	1.1
322.14316	5.6
323.12717	1.5
340.11584	3.4
340.15506	6.3
341.13943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1178
Annotation	Cerasodine
Peak:m/z	Relative Intensity
51.34256	0.5
58.06582	1.6
66.06000	0.6
71.32014	1.3
71.32357	0.6
78.83100	0.5
115.05473	0.9
122.03685	0.7
137.05975	3.2
152.06137	0.5
153.06993	1.0
155.08604	0.8
157.93642	0.5
161.03239	0.6
165.06973	5.0
166.07788	7.9
167.08554	1.7
169.06516	0.8
170.40361	0.5
175.07613	0.6
177.05482	0.8
177.07011	1.5
178.06238	0.9
178.07761	7.4
179.08548	11.9
180.09152	0.7
181.06447	2.1
181.10156	2.0
182.07256	1.3
183.08029	2.2
187.07491	0.8
189.07098	0.8
191.08572	1.6
193.06487	2.1
193.10175	0.7
194.07248	13.0
195.08044	3.2
196.08815	1.6
197.09651	1.0
203.08522	0.6
205.06487	3.5
206.07251	1.8
207.08022	4.6
208.08797	1.1
209.06085	0.9
209.09633	12.7
211.07515	2.1
212.08360	3.3
213.09030	2.0
219.08258	1.3
220.07433	1.0
221.05988	6.7
222.06755	6.2
223.07593	3.8
224.08403	3.8
225.05479	2.2
225.09061	2.2
226.09943	0.9
227.06961	1.2
231.08211	0.6
233.05965	1.2
234.06781	1.0
235.07503	3.7
236.08336	3.5
237.09103	8.8
238.09871	4.0
239.07071	8.2
239.10645	1.3
240.07628	0.8
241.08472	1.0
241.12234	1.2
242.09291	0.7
249.05455	1.0
250.06314	3.7
251.06973	5.0
252.07758	1.2
252.10199	1.8
253.08632	3.2
254.09366	34.1
255.06854	0.8
255.09793	1.9
262.06281	1.0
262.08832	0.6
263.06995	1.7
264.07819	1.2
265.08588	9.2
266.09302	3.3
267.06494	1.9
267.10117	1.4
268.07071	0.7
269.11725	14.1
270.08899	1.1
270.12054	0.8
271.09579	1.1
276.06857	0.6
278.05591	0.6
278.08356	1.2
279.10178	5.2
280.07248	1.3
280.09814	1.2
282.08932	7.3
283.09506	1.6
290.08096	2.0
291.09824	1.9
292.07199	2.7
293.08020	2.9
294.11310	0.6
295.09561	1.7
297.11230	8.7
307.08414	1.6
308.09518	0.6
309.11127	2.4
312.12286	48.5
313.12579	2.8
322.10699	15.2
323.09067	6.2
323.12387	1.0
340.11780	100.0
341.11887	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2681
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
51.02359	1.2
53.03930	1.9
55.05508	17.8
57.03400	2.7
57.07077	5.4
67.05179	1.6
67.05496	16.2
68.82969	0.9
69.07064	34.5
70.16101	5.5
71.04979	4.8
71.08617	2.2
79.05482	11.9
81.07049	32.0
83.04929	2.5
83.08607	12.9
85.06527	11.7
91.05478	13.2
93.06481	1.7
93.07038	25.9
95.04907	2.5
95.08605	30.7
96.08955	1.0
97.06532	2.7
97.10152	5.9
99.08096	6.7
105.07022	38.2
106.30809	1.0
107.08585	32.5
109.06489	2.3
109.09464	1.6
109.10150	19.9
111.11651	2.0
115.05426	1.1
117.06993	7.1
119.04889	1.1
119.08576	37.1
119.33028	1.0
121.10143	23.0
123.08109	1.4
123.11723	7.7
125.09557	1.9
128.06134	3.0
129.07005	7.1
130.07764	1.8
131.08556	20.0
133.10117	21.9
134.10855	1.0
135.04329	1.8
135.10857	1.1
135.11702	13.7
137.09598	5.3
137.13199	3.2
141.06943	4.6
142.07774	8.3
143.08551	16.8
144.09265	3.1
145.10117	21.1
147.11670	14.5
149.05893	2.6
149.09482	1.1
149.13251	8.8
154.07774	1.9
155.08543	9.8
156.09354	6.1
157.08949	1.8
157.10123	27.8
158.10922	2.2
159.11673	28.4
161.11961	1.6
161.13243	22.2
163.11154	2.0
163.14796	9.0
166.07784	1.3
167.08565	2.3
168.09293	3.6
169.10107	18.1
170.10786	3.0
171.11670	18.8
173.13266	14.6
175.11081	3.0
175.14781	4.9
177.05487	1.7
177.12744	9.1
177.16284	1.2
179.08493	2.7
179.14221	1.5
180.09169	1.5
181.10095	6.7
182.10834	2.7
183.10249	1.5
183.11690	18.3
184.12367	2.3
185.11821	1.2
185.13249	12.7
187.14841	8.6
189.12659	3.9
189.16370	4.7
192.76740	1.0
193.10054	1.6
194.10805	2.3
195.11702	11.7
196.12338	3.0
197.13240	14.8
199.14803	13.5
200.15036	0.9
201.12703	1.3
201.16321	4.4
203.14265	1.6
203.17880	1.7
207.11526	1.8
208.12430	1.8
209.13231	12.5
210.13902	3.7
211.14828	14.4
212.15414	2.2
213.12738	1.2
213.16368	11.9
215.14296	1.3
215.17801	2.2
217.15765	2.1
221.12990	0.9
222.13905	1.4
223.14815	11.1
224.15501	2.3
225.16353	16.0
227.14281	2.5
227.17926	4.6
237.16389	7.2
239.17943	7.2
241.15750	2.5
241.19427	3.0
247.24016	1.1
249.16367	1.7
250.16824	1.2
251.17924	9.2
252.18532	1.7
253.19421	6.0
255.17307	2.2
255.20879	1.1
257.18854	2.3
265.19507	10.5
267.21243	1.6
269.18866	3.2
269.22577	1.4
271.20465	2.5
279.21036	7.0
281.22626	34.3
282.22824	1.8
283.17429	1.4
283.20453	7.8
297.22128	2.4
302.37924	1.2
311.27164	1.1
321.25769	31.0
322.26056	1.8
339.15860	2.3
339.26660	100.0
340.12070	1.3
340.16080	1.1
340.26892	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03944	2.9
55.01865	1.9
55.05291	1.7
55.05510	18.6
57.03418	4.7
57.07061	5.3
58.06597	9.6
65.03929	4.1
67.05501	94.6
69.07059	15.2
70.24746	5.1
71.04972	3.8
75.04458	2.1
79.05490	42.1
81.03384	2.7
81.07053	100.0
83.04975	3.0
83.08613	7.5
85.06546	4.4
91.05478	26.7
93.07042	60.0
95.04944	3.8
95.08601	90.7
97.06518	6.7
97.10164	5.6
98.21394	1.6
99.08089	3.0
105.07028	22.1
107.04968	1.9
107.08588	45.4
109.06522	3.7
109.10146	53.0
111.08072	1.8
111.11755	1.5
117.07024	9.8
119.04971	2.6
119.08575	19.7
121.06577	1.7
121.10136	45.3
123.08056	3.2
123.11703	23.3
125.09621	2.5
129.06976	1.7
131.08553	23.3
133.10139	17.7
135.04411	3.2
135.11690	37.7
137.06038	1.6
137.09627	3.9
137.13254	5.3
143.08571	3.1
145.02818	2.6
145.10123	23.6
147.11684	20.4
149.05954	5.6
149.09668	1.6
149.13257	19.5
151.11259	2.2
159.08089	1.4
159.11670	21.4
161.13260	5.4
163.14821	6.4
165.12747	2.8
171.11661	1.5
173.13266	13.7
175.11182	2.9
175.14799	2.0
177.05478	5.5
177.12816	1.6
179.08543	1.4
187.14803	6.4
189.16415	2.0
189.27109	1.6
201.16304	2.1
217.12350	2.7
219.21024	4.4
222.09975	2.0
229.19501	26.2
229.23064	1.6
247.20573	94.7
248.20926	2.3
265.21649	5.6
279.09781	3.5
283.16931	16.5
303.23203	2.3
317.75238	1.7
321.24179	10.2
322.11554	3.0
339.15710	2.9
339.19391	2.6
339.25519	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.6
55.01868	35.9
55.05268	3.6
55.05510	43.1
57.03434	34.4
57.07077	14.8
58.06583	5.6
59.04985	3.2
65.03925	7.7
66.79713	2.7
67.05501	88.4
69.03426	6.7
69.07062	28.5
70.06592	5.5
71.04992	4.1
71.07449	3.8
71.07777	5.9
71.08617	6.1
77.03899	2.6
79.05065	5.5
79.05491	73.5
80.06264	3.6
81.03404	12.8
81.07050	85.7
83.04989	44.7
83.08595	11.2
85.06525	9.3
88.07610	9.2
91.05475	79.2
93.07042	62.8
93.42146	2.8
94.04185	4.0
95.04368	5.4
95.04965	88.9
95.08607	37.9
97.02879	13.5
97.06503	10.9
97.10160	6.9
98.07306	7.9
103.05460	8.0
105.07021	66.4
107.04951	100.0
107.08580	30.3
108.05727	8.8
109.06536	39.8
109.10150	21.4
111.04451	10.9
111.08074	7.5
112.05193	12.1
113.05995	12.6
115.05451	5.8
117.07016	43.3
119.04951	5.4
119.08585	39.7
121.06495	30.7
121.10110	17.7
122.07298	20.5
123.04410	13.0
123.08064	12.0
125.06015	4.6
128.06210	8.7
129.07004	17.8
131.08568	46.6
133.06482	25.1
133.10101	16.5
135.04385	4.1
135.08055	26.3
135.11656	15.7
137.09593	10.6
141.06972	7.1
142.64708	3.0
143.08548	12.7
145.06461	21.4
145.10114	19.5
147.08020	37.9
147.11681	8.3
149.02318	19.0
149.05986	6.0
149.09589	8.3
149.13216	4.6
151.07526	8.2
155.08540	10.1
157.10136	4.6
159.08032	7.5
159.11699	14.6
161.09604	18.7
163.11177	13.4
165.09103	15.3
169.10086	7.9
171.11731	14.7
173.09618	5.2
173.13239	12.1
175.11134	7.4
177.05432	4.6
177.12743	8.0
187.08421	3.2
187.11143	4.0
187.14777	14.1
189.12749	7.0
193.04961	39.0
197.13226	10.6
201.12570	3.9
205.15884	9.8
215.14304	18.9
217.15822	5.8
220.07594	3.1
224.65659	11.3
233.15356	92.8
234.15825	3.1
256.26270	8.2
265.18015	36.0
273.18454	14.7
290.18817	6.9
305.21078	9.1
339.27667	78.0
339.77817	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	24.3
55.01873	8.2
55.05507	50.1
57.03429	10.9
57.07064	12.9
58.06596	36.6
65.03936	6.7
67.05501	75.7
69.03429	7.8
69.07058	28.7
69.73425	5.7
71.04987	37.8
71.65814	14.1
73.02927	9.7
79.05489	66.3
81.03413	37.9
81.07047	100.0
83.04973	50.5
83.08635	16.0
85.06538	13.4
91.05460	71.7
93.07037	75.6
95.04959	38.4
95.08604	60.0
97.06516	15.4
97.10191	10.8
99.04424	8.2
101.06026	7.8
103.05441	6.4
105.07008	49.0
107.04941	40.5
107.08588	36.7
109.06535	39.5
109.10152	21.7
114.08168	6.3
117.06992	34.1
119.04939	7.9
119.08568	36.5
121.06474	12.6
121.10133	21.5
123.04410	10.4
123.08044	22.0
123.11726	8.6
125.05991	9.0
125.19987	7.3
129.06993	21.3
131.08554	41.6
133.06479	9.4
133.10114	30.8
135.04424	25.0
135.08028	16.0
135.11699	14.5
137.05975	8.1
137.09624	9.6
139.07478	7.3
141.06989	8.4
142.07797	10.5
143.08543	23.9
144.09421	7.3
145.02888	8.4
145.06471	13.5
145.10103	35.0
146.73566	6.8
147.08046	15.7
147.11624	13.4
149.05963	25.4
149.09575	7.4
149.13249	11.0
151.07527	10.3
155.08557	10.5
157.10139	22.0
159.08099	16.3
159.11696	28.3
161.09622	14.8
162.18759	6.6
163.11086	7.6
165.09203	6.9
169.10098	15.8
171.08138	7.0
171.11731	31.0
173.09618	19.0
173.13280	10.1
173.83788	6.5
175.11201	12.2
177.05487	21.3
177.12807	14.7
183.11674	11.6
185.13303	7.7
187.11165	19.7
195.11739	10.5
197.13228	13.7
199.14915	8.1
202.16823	7.7
207.13773	13.7
211.14804	10.8
217.12276	16.3
219.13840	6.6
229.12405	9.4
233.15446	8.7
237.14732	11.0
261.18488	9.6
263.16464	7.3
271.16895	22.1
289.17981	79.0
299.18405	6.5
303.19489	38.5
321.20813	11.9
335.20676	12.9
339.15689	16.1
339.19247	16.5
339.23053	36.0
339.28879	6.8
340.15503	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	339.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01863	2.1
55.05509	1.5
58.06592	1.6
67.05476	1.5
69.03419	4.9
69.07056	1.4
69.36404	13.4
71.04982	4.8
74.66966	1.1
79.05485	4.5
81.03411	2.2
81.07041	3.9
85.02911	1.4
91.05470	13.4
93.07046	7.4
95.04961	1.9
95.08599	2.2
97.02868	2.3
99.04436	7.0
103.05455	2.1
105.07026	83.6
107.04944	1.9
107.08613	3.2
109.02839	1.4
109.06504	2.9
115.05481	2.0
117.03377	4.4
117.07016	1.9
119.04980	2.7
119.08569	10.3
121.06470	3.2
123.08047	2.8
123.11698	1.6
128.06200	3.8
131.08588	4.3
133.06483	8.3
133.10127	71.3
137.05972	4.0
143.08522	6.3
145.02875	7.9
145.10098	5.6
146.07234	2.9
147.08046	2.2
149.05998	1.8
151.07542	4.4
158.54749	1.3
159.08107	1.6
161.09613	100.0
162.09903	2.4
163.11189	18.5
167.07014	1.3
171.08052	6.3
177.05470	18.1
179.10684	14.0
183.06512	2.8
187.07491	1.8
189.07361	1.7
189.09105	25.7
190.07732	1.3
191.08591	1.3
206.07143	1.8
207.08206	2.2
207.10143	18.1
207.12080	1.9
208.08931	1.5
213.07573	2.0
215.07005	1.4
218.07196	1.9
219.08034	4.7
221.06004	2.2
221.09521	1.2
223.07433	2.1
229.86807	1.6
234.06738	1.6
235.07486	4.4
236.08295	3.6
249.09094	3.3
251.06998	1.4
251.10655	3.5
253.08696	1.5
263.07010	3.0
264.07779	4.6
265.08514	2.9
267.06546	1.3
277.08548	2.3
278.09616	1.4
279.10159	3.5
281.08121	2.9
282.08984	1.9
293.08112	2.5
293.13852	22.6
297.11288	3.3
307.09659	9.1
308.10471	1.9
311.12695	15.9
321.13522	12.3
324.09753	1.7
339.12198	21.8
339.14606	10.3
340.12448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
54.48596	4.8
55.05508	13.0
58.06598	14.0
67.05495	16.6
69.03426	6.5
69.07062	14.5
70.35750	22.0
71.04984	8.8
78.32176	5.7
79.05495	15.7
81.03381	6.3
81.07051	23.6
83.04966	10.5
85.06545	8.4
89.03951	5.7
91.05482	25.4
93.07050	22.9
95.04960	8.2
95.08591	17.9
97.06546	8.4
105.07012	55.3
107.08597	26.2
109.10154	8.9
115.05489	5.7
117.03434	10.4
117.07014	28.1
119.08599	30.1
121.06457	6.5
121.10162	9.4
123.08023	5.3
128.06198	16.8
129.07021	14.1
131.08577	48.7
132.32130	5.3
133.10114	19.7
137.05934	5.9
141.06938	8.5
142.07790	21.4
143.08554	31.7
145.02835	29.3
145.06503	12.9
145.10150	33.7
147.08054	8.0
147.11667	15.5
149.05977	18.0
153.14336	4.9
155.08549	16.6
156.09247	5.5
157.10123	52.2
159.08061	22.6
159.11700	45.4
161.09686	9.3
161.13231	5.5
167.08635	5.6
168.09357	17.2
169.10136	8.2
171.08113	8.2
171.11658	18.1
173.02335	10.0
173.05923	8.9
173.09613	9.1
173.13283	30.9
175.11137	33.8
175.14798	5.9
177.05458	68.6
177.12703	5.3
181.10165	6.5
183.11700	41.4
185.09550	6.6
185.13272	19.9
187.11160	100.0
189.12820	9.1
199.11188	10.9
201.12698	61.2
201.96193	5.5
203.14281	12.2
211.11259	8.3
215.07108	6.7
217.12227	26.9
219.13858	11.3
229.12233	78.2
230.12410	8.7
231.13802	15.0
233.15369	13.0
237.07463	7.3
247.13281	66.5
249.14792	9.9
261.14899	20.0
265.06860	41.4
279.15955	11.7
280.09250	8.1
317.39667	5.3
339.10651	32.6
339.15576	9.6
340.11276	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13727	1.3
53.03936	4.2
55.01869	3.9
55.05510	6.7
56.04040	1.7
57.03431	3.1
58.06592	4.6
59.05000	2.7
59.53263	1.5
63.39165	1.4
67.05501	5.4
69.03418	12.0
69.07056	4.1
70.06590	2.9
70.78056	1.5
71.04993	8.1
71.13631	1.9
71.13971	3.4
73.57285	1.5
79.05485	8.6
80.75592	1.7
81.03428	7.6
81.07062	12.0
81.85867	1.8
82.06597	1.8
83.05036	1.8
83.08602	3.0
84.08157	1.6
85.02901	6.1
86.09695	2.0
87.04463	3.0
89.03922	6.9
91.05482	23.1
93.07040	10.1
94.82661	1.5
95.04958	5.7
95.08602	9.1
97.02889	6.3
97.06496	3.1
98.09673	10.6
99.04475	10.1
100.11272	3.1
103.05437	3.2
105.07030	88.0
106.07378	2.6
107.04972	2.2
107.08594	10.4
109.02875	3.4
109.06528	3.8
109.10143	9.4
111.04471	2.8
115.05448	2.9
117.03370	15.0
117.07016	3.9
119.04922	4.8
119.08580	16.3
121.06509	5.2
121.10139	7.0
123.08080	4.2
123.11736	2.4
127.03869	2.2
128.06180	4.2
129.07008	2.5
131.08574	5.2
133.04991	1.8
133.06509	8.3
133.10127	73.2
135.04404	3.9
135.08054	2.2
135.11696	3.4
137.05975	7.0
137.09604	4.0
143.08525	8.8
145.02855	39.3
145.06494	2.4
145.10165	10.2
146.03317	1.9
146.07289	4.2
147.04414	2.7
147.08035	4.1
147.11720	2.7
149.05948	10.8
149.13295	1.7
151.03963	3.4
151.07535	5.8
151.11212	2.5
159.08047	2.7
161.05954	2.2
161.09615	100.0
162.09941	1.9
163.11182	15.2
165.05473	1.5
165.07031	2.2
165.09088	3.7
171.08061	5.2
176.06123	2.5
177.05463	74.6
179.10623	13.8
181.06499	2.2
182.15459	2.6
183.06592	2.9
189.07314	2.3
189.09102	24.5
191.08595	3.9
195.06535	1.9
204.05655	4.2
205.06497	8.3
207.10164	17.7
209.16473	2.5
210.14870	2.3
213.07507	1.8
218.66243	2.5
219.08054	3.4
222.06720	2.6
223.07590	2.8
232.05157	3.7
233.05988	9.2
234.06595	1.6
235.07544	2.8
236.04684	3.0
236.08173	2.4
247.07631	3.1
249.05453	2.3
249.09149	2.1
250.06194	7.2
251.06946	3.9
260.04800	2.6
261.05536	6.5
263.06955	2.7
264.04321	2.5
264.07751	2.5
265.04797	2.0
277.08682	2.1
278.05789	11.7
278.08810	2.0
279.06503	16.1
279.09741	2.3
292.59296	1.7
293.08627	2.4
293.13861	17.7
303.12320	3.3
306.04947	2.7
307.06088	3.4
307.09656	5.4
311.09427	1.9
311.12589	3.8
321.09894	5.5
321.13345	13.4
322.10855	2.9
339.04904	2.1
339.08704	27.8
339.14459	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	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.92357	0.7
52.93832	0.7
56.60138	0.8
65.03931	1.5
67.05489	0.7
69.03415	0.9
70.06593	0.8
70.71445	0.7
71.08786	1.8
73.96435	0.8
79.05514	0.7
79.22545	0.7
81.03397	0.7
83.04964	1.1
85.02879	2.2
91.05475	11.1
97.02898	4.8
117.03389	1.7
119.04944	26.3
127.03894	0.9
137.05936	1.0
145.02870	3.7
147.04407	100.0
148.04771	1.5
149.02296	0.8
149.05978	0.8
151.52440	0.7
163.03928	0.7
165.05399	0.9
177.05482	4.7
191.03442	0.9
219.02882	3.5
261.04044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
57.03442	0.8
58.06598	1.3
61.02932	0.7
67.05499	0.4
69.03427	5.8
70.06572	0.6
71.04988	1.1
71.64386	0.6
72.08124	0.3
73.02922	0.6
73.95790	0.3
79.05482	0.5
81.03415	11.7
81.07072	0.9
83.01323	0.4
83.05010	0.4
84.08128	0.4
85.02902	4.8
89.03908	8.0
91.05472	1.5
93.07056	0.7
95.04964	0.4
95.08585	0.7
97.02880	1.9
99.04451	1.4
103.05421	0.4
105.07021	1.3
106.04182	0.6
107.04970	0.6
109.02892	5.0
109.68874	0.4
117.03371	21.4
117.56654	0.4
118.03703	0.7
119.04951	0.8
119.08567	0.6
121.06501	0.4
124.07607	0.5
127.03886	1.9
133.06534	0.5
133.10114	0.8
134.03639	1.6
135.04446	1.6
137.05998	0.9
137.09592	0.5
137.96164	0.4
143.08511	0.4
145.02837	55.3
146.03181	2.1
147.04367	1.1
147.08055	0.6
149.05974	8.5
159.08012	0.6
161.09581	1.0
163.03894	1.1
166.65756	0.4
177.05458	100.0
178.05817	3.6
179.10689	0.5
186.05482	1.3
195.06519	2.7
223.25310	0.4
247.07578	0.7
262.08688	0.4
279.09964	0.4
285.75485	0.5
303.04855	0.9
307.09509	0.9
309.11038	0.5
321.09665	13.2
322.10098	0.6
339.04837	0.9
339.10776	3.8
340.11472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.9
69.03398	1.8
70.02934	1.0
70.06579	2.5
71.44019	1.5
72.08123	1.0
79.05479	1.2
81.49913	0.7
83.04981	1.3
84.08105	1.3
85.02905	3.1
89.03886	3.6
91.05460	4.7
94.01077	0.7
95.01327	2.0
95.04968	1.4
97.02888	1.3
103.05450	1.4
105.07005	1.0
107.04941	1.8
109.02826	0.9
117.02661	1.0
117.03373	5.8
119.04927	6.7
121.02824	0.9
121.06481	1.0
123.04415	3.0
125.02300	0.8
129.10245	1.0
131.04924	2.1
135.04410	22.3
136.07484	0.8
137.05896	0.9
139.03883	0.8
141.01813	1.2
143.04915	0.8
145.02837	7.4
147.04399	49.1
148.04721	0.9
149.02350	3.5
149.05971	3.5
151.07553	1.2
152.07079	0.6
154.08638	0.9
159.04413	1.5
161.05971	1.9
163.03897	83.8
164.04221	2.4
164.07117	1.0
175.03903	4.1
176.07063	1.2
177.01871	2.9
177.03960	1.6
177.05461	4.6
177.07268	1.2
179.03471	0.8
183.04414	1.0
185.06012	0.9
187.03918	1.7
188.01714	0.7
189.05473	1.9
191.03432	1.4
201.05414	0.9
203.03387	100.0
204.03795	2.8
205.04971	4.1
207.02881	0.8
207.04779	0.8
213.05522	1.0
215.03403	5.1
219.02960	1.8
222.02408	0.8
229.04965	2.9
231.02899	12.3
233.04297	3.6
261.03906	4.9
279.04987	8.0
291.04886	5.0
321.06119	1.0
339.07236	4.7
339.10876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.32037	0.4
53.03936	1.9
55.01866	0.5
57.03436	0.8
58.06594	0.7
61.02906	0.6
65.57744	0.4
66.22349	0.5
69.03088	0.5
69.03426	5.3
70.06577	0.5
70.11700	2.2
71.04966	0.6
73.02907	0.6
76.50319	0.4
79.05471	0.5
81.02934	0.7
81.03415	12.5
85.02907	3.9
89.03917	6.5
91.05474	3.8
93.07036	0.7
97.02885	1.6
99.04450	1.2
105.06998	0.7
107.68839	0.4
109.02877	4.9
117.03377	24.1
119.04928	0.8
121.06569	0.5
127.03915	1.9
128.32266	0.4
131.04915	0.6
133.10133	0.7
134.03638	1.7
135.04393	2.3
137.05939	1.0
145.02846	57.1
146.03159	0.9
147.04399	3.1
149.05983	9.2
149.70177	0.5
161.09651	0.8
163.03969	0.7
177.05466	100.0
178.05843	1.7
179.10692	0.6
186.05522	0.7
195.06557	2.6
309.10913	0.7
321.09668	12.3
339.10901	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.46248	0.5
61.02909	0.8
63.59259	0.5
67.05475	1.6
69.03413	2.1
69.07054	0.8
70.06582	2.3
71.04994	2.3
71.64147	0.6
72.08140	0.8
76.50568	0.5
79.05486	1.3
81.03399	1.3
81.07045	1.3
81.30267	0.6
83.01360	0.7
84.08156	1.3
85.02896	1.2
85.53991	0.5
86.09701	1.2
89.03909	6.6
91.05466	3.1
93.07075	0.6
95.01337	2.1
95.04971	0.7
95.08587	0.8
97.02901	2.0
98.97601	0.7
103.05475	1.5
105.07037	1.0
107.04943	2.6
109.06537	0.6
111.04483	0.8
112.07623	0.6
115.05414	0.6
117.03371	9.2
119.04935	5.5
119.08608	0.7
120.08117	1.1
121.02845	2.3
122.06015	3.1
123.04419	2.3
129.03439	0.6
129.04431	0.6
129.10321	0.6
131.04939	2.3
133.06448	1.8
134.06013	0.8
135.04410	24.8
136.07594	1.7
137.05971	1.7
141.01819	1.5
141.12793	0.7
143.04922	0.7
145.02837	13.4
147.04401	42.0
149.02322	4.4
149.06007	3.8
150.05502	1.6
151.03925	0.7
151.07513	0.7
152.07117	0.9
159.04407	1.7
161.05968	2.9
162.05492	1.8
163.03896	100.0
164.04314	2.4
164.07048	1.9
165.05487	0.8
166.04933	1.0
175.03886	4.1
177.01904	3.7
177.03906	1.7
177.05421	12.6
177.06630	0.8
180.06558	0.6
185.05902	0.7
187.03876	2.9
189.05461	2.9
191.03442	1.3
191.06895	0.6
192.13785	0.7
193.04852	0.8
201.05431	0.7
203.03381	93.2
204.03757	3.1
205.04938	3.2
205.06572	1.3
207.07880	0.8
208.06041	1.9
213.05399	0.7
215.03392	4.9
219.02878	1.0
229.04948	4.0
231.02882	11.4
233.04236	3.1
235.07466	0.7
243.02840	0.7
261.03888	4.7
279.04868	6.6
291.05029	4.2
293.04443	0.6
295.17706	0.7
303.13168	0.9
311.05243	0.8
339.08112	5.0
339.12167	0.6
339.16409	0.9
339.22995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34682	0.2
70.15739	0.8
71.37374	0.2
71.94575	0.2
72.74221	0.2
81.68687	0.2
86.05573	0.3
86.06065	4.1
98.20721	0.2
111.85882	0.2
165.06999	0.6
177.07039	0.2
178.07764	6.4
179.08458	0.3
180.09335	0.5
184.14113	0.2
189.06978	2.3
190.07777	2.7
191.08560	1.2
192.09299	0.7
193.06586	0.3
193.10077	0.3
194.07310	0.3
195.07997	0.4
202.07729	1.4
203.08528	0.9
205.06456	1.9
206.07260	8.9
206.81642	0.2
207.07901	0.5
208.08882	3.0
209.09645	0.3
216.05801	0.5
217.06551	1.0
217.08656	0.2
218.07274	4.0
219.07991	1.3
220.08801	1.1
221.09610	31.7
222.06810	0.2
222.09975	1.4
223.11179	2.5
230.07268	0.4
231.07863	0.2
233.05995	0.3
233.09718	2.1
234.06754	7.5
235.07497	1.3
235.09953	0.9
236.08339	2.3
237.09108	1.7
240.35730	0.2
245.06967	0.2
246.06844	0.7
247.07611	1.1
248.08293	1.3
248.10796	0.7
249.09113	23.7
250.09517	0.9
251.07068	0.4
251.10693	1.2
252.07768	0.3
259.08633	0.4
261.09186	1.1
262.09836	0.6
263.06992	0.5
264.07819	2.3
266.11783	2.6
277.08545	0.3
278.09372	0.6
279.10156	100.0
280.10498	3.1
296.12787	2.4
308.12766	1.3
321.11243	2.1
338.13852	7.2
339.14267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.102
Annotation	Oxocularine
Peak:m/z	Relative Intensity
67.05447	0.4
69.07014	0.7
70.90839	0.3
71.65681	0.3
71.66077	0.4
81.07004	0.7
82.23522	0.3
97.06541	1.6
101.47662	0.4
107.08437	0.3
143.03371	0.3
147.08742	0.3
177.05447	0.6
188.40944	0.3
212.07870	0.5
215.10536	0.4
219.55153	0.3
222.09883	0.3
224.07031	0.6
234.05457	6.1
235.06334	0.3
241.08360	0.5
242.08905	1.2
248.07094	0.5
250.04834	0.4
250.08688	0.3
252.06593	0.7
254.34550	0.3
256.06219	0.5
262.04980	32.9
263.05307	1.1
264.06451	0.6
265.03772	1.0
265.07388	0.5
266.08270	0.6
276.06506	1.2
277.07343	16.4
278.04861	0.4
278.07883	0.8
280.06033	14.9
290.04459	15.9
291.04889	0.4
292.06149	0.9
293.06903	0.9
293.11716	0.4
294.07614	2.6
294.11914	0.5
304.06012	0.6
305.06812	57.1
306.07227	3.1
307.08356	0.5
308.05511	6.3
308.09122	0.5
320.05789	0.5
322.07108	2.9
323.07858	11.2
324.08334	0.6
338.10226	100.0
339.10510	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59163	1.4
53.03928	2.5
55.01865	1.9
55.05508	39.2
57.03432	24.7
57.07067	5.2
65.03930	3.4
67.05500	96.7
68.05820	1.9
68.36794	1.3
69.07063	46.1
69.37048	15.4
71.04978	2.7
71.08617	1.6
79.05489	24.3
81.07053	89.7
82.07370	2.9
83.04967	4.2
83.08615	23.0
85.06537	1.8
91.05479	15.2
93.07035	25.4
95.04950	1.5
95.08599	64.0
96.08926	2.6
97.06527	5.2
97.10165	10.3
99.08097	1.8
105.07014	12.1
107.08588	12.5
109.10146	24.1
111.08076	2.7
111.11696	2.2
113.09599	1.6
119.08582	12.0
121.10121	9.8
123.11691	12.4
125.09605	2.4
131.08566	2.2
133.10115	6.8
133.23502	1.3
135.11693	5.0
137.13243	4.5
145.10139	1.4
146.61626	1.3
147.11685	7.7
149.13220	3.7
151.14828	1.8
154.96725	1.3
161.13290	5.4
163.14757	2.9
175.14859	2.3
177.16298	1.5
199.14742	1.8
263.23685	3.3
337.27371	100.0
338.27628	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01886	2.2
55.05512	46.4
57.03438	30.8
57.07078	7.1
63.86860	1.3
65.03927	2.9
67.05505	97.9
68.05827	1.6
69.07066	65.2
69.29550	15.5
70.07418	1.2
71.04979	3.5
71.08636	4.2
71.27582	1.1
79.05495	27.9
80.85411	1.3
81.07055	100.0
82.07386	2.3
83.04983	3.6
83.08617	29.6
85.06543	11.2
85.10162	1.6
85.30504	1.3
91.05486	23.7
93.07047	34.3
95.04992	2.7
95.08604	86.5
96.08936	2.6
97.06540	7.0
97.10161	16.7
99.08099	3.8
101.06005	1.5
105.07035	26.8
107.08596	23.8
109.06527	2.6
109.10152	37.4
111.08104	2.3
111.11720	2.8
117.07027	4.6
119.08580	19.6
121.10145	20.0
123.08133	2.1
123.11704	14.9
125.09646	2.7
129.06998	3.1
131.08574	8.6
133.10132	15.6
135.08130	1.5
135.11702	11.1
137.09637	2.9
137.13261	4.7
139.11195	2.0
141.07033	1.9
142.07808	2.9
143.08553	6.1
144.99095	1.1
145.10085	6.1
147.11696	10.0
149.13254	5.3
151.14841	2.0
153.07013	1.4
153.35234	1.3
155.08575	5.9
157.10115	11.0
159.11670	8.9
161.09578	1.3
161.13275	12.1
163.11226	1.8
163.14819	4.4
165.06920	2.4
165.12723	1.3
166.07832	2.1
167.08618	3.6
168.09355	2.7
169.10106	9.0
171.11723	6.9
173.13293	4.5
175.11169	2.6
175.14821	4.6
177.12746	3.3
177.16318	1.2
179.08601	2.6
180.09389	2.2
181.10129	6.5
182.10904	2.1
183.11700	8.0
185.13235	4.3
187.14748	2.8
189.12730	4.6
192.09344	1.8
193.10158	5.0
194.10887	1.9
195.11697	8.9
196.12503	1.5
197.13254	7.9
199.14804	4.1
205.10045	1.5
207.11668	3.8
208.12401	2.8
209.13309	9.6
210.13925	2.5
211.14844	6.9
220.12624	1.6
221.13261	4.3
223.14815	9.5
225.16360	2.4
227.14423	1.5
233.13307	2.3
235.14909	2.4
237.16434	6.2
239.18060	2.2
241.15927	4.5
245.22647	4.4
249.16454	4.2
250.17166	1.6
251.17926	4.9
253.15984	1.9
255.17497	2.3
263.17950	4.4
263.23776	5.6
265.19434	2.1
267.17508	5.5
269.18839	1.5
277.19528	2.1
279.21106	19.5
281.18954	4.9
295.20630	1.9
309.25739	1.8
319.24072	9.2
337.27264	92.6
338.25745	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	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57954	0.6
55.05514	6.5
55.48194	0.5
57.07058	1.5
67.05509	6.7
69.07067	17.5
70.67188	1.5
71.04971	1.2
71.08625	0.8
79.05496	4.4
81.06593	0.8
81.07056	12.9
83.04955	1.2
83.08647	4.1
85.06542	13.1
91.05472	6.7
93.07047	10.1
95.04951	0.9
95.08612	15.3
97.06515	1.3
97.10165	2.4
99.08088	2.2
102.34705	0.6
105.06406	1.2
105.07039	18.0
107.08594	12.4
109.06512	1.3
109.10157	9.8
111.08102	0.6
115.05444	0.8
117.07063	3.8
117.07734	0.7
119.07804	1.1
119.08585	17.2
121.06496	1.0
121.10143	6.9
123.08009	1.0
123.11742	3.1
128.06122	1.0
129.06993	2.6
130.07773	0.8
131.08560	10.1
133.10132	9.8
135.07967	0.8
135.11690	5.1
137.09631	1.1
137.13237	0.8
141.06982	2.2
142.07767	3.5
143.08572	8.0
144.09283	1.2
145.10117	9.2
147.11714	4.9
149.09654	1.1
149.13249	1.6
153.06975	1.6
154.07765	1.0
155.08575	6.9
156.09293	2.9
157.08925	1.2
157.10127	12.4
159.11699	12.0
161.09633	1.0
161.13260	12.0
163.14819	2.2
165.07004	1.8
166.07808	1.3
167.08597	3.1
168.09328	2.0
168.91510	0.7
169.10123	11.1
170.10875	1.2
171.08046	0.8
171.11684	9.6
173.09554	1.4
173.13268	6.7
175.11174	6.8
175.14827	2.0
177.12775	5.9
179.08534	3.4
180.09334	2.6
181.10117	8.8
182.10878	2.0
183.11691	10.7
184.12338	0.6
185.13255	4.8
187.11156	1.7
187.14801	3.1
189.12756	3.0
192.09358	1.2
193.10147	5.7
194.10916	3.1
194.98206	0.7
195.11705	12.3
196.12436	2.4
197.13280	10.5
199.14870	4.4
201.12726	1.8
201.16426	1.3
203.14336	2.2
205.10225	0.7
206.10895	1.6
207.11711	8.1
208.12494	3.9
209.13252	14.3
210.14020	2.2
211.11134	1.0
211.14819	10.0
213.12677	2.0
213.16339	1.5
215.14346	2.6
217.15858	0.8
219.11702	1.1
220.12405	1.2
221.13243	7.9
222.14017	2.5
223.14815	18.7
224.15483	1.6
225.12862	1.2
225.16339	5.6
227.14282	3.0
227.17876	1.2
229.15900	2.1
233.13255	1.0
234.14125	0.8
235.12558	0.9
235.14764	5.3
236.15514	1.8
237.16379	8.6
239.14348	1.7
239.18033	3.2
241.15881	3.7
241.19659	0.9
243.17468	1.9
247.14917	1.5
248.15717	0.9
249.16428	5.3
250.17125	1.3
251.18005	4.8
253.15964	4.1
253.19525	1.2
255.17453	2.3
263.17966	8.5
264.18643	2.0
265.19519	1.9
267.17459	6.4
267.20856	1.2
268.18161	2.0
269.18912	2.3
277.19543	4.2
279.21088	29.8
280.21460	1.9
281.19055	9.6
289.19696	0.7
293.22443	1.4
294.23132	0.7
295.20508	2.7
295.23822	1.4
304.21457	1.0
309.22275	1.0
309.25842	2.0
319.24203	16.7
320.24527	0.8
337.25241	100.0
338.25626	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05497	6.8
57.07059	1.9
66.11139	0.7
67.05502	8.8
69.06717	1.1
69.07065	15.7
69.50990	7.4
70.13216	0.8
71.04971	1.9
78.09546	0.7
79.05484	6.5
81.07047	16.0
83.04969	1.2
83.08591	3.4
85.06535	20.6
90.95715	0.7
91.05482	8.9
93.07036	13.5
93.21117	0.9
95.04951	1.5
95.08033	1.3
95.08598	17.1
97.06535	1.1
97.10155	1.4
99.08064	2.1
105.07019	20.0
107.08582	14.7
109.06516	1.4
109.10143	9.1
117.06993	3.7
119.08569	15.9
121.06515	1.0
121.10141	9.4
123.08024	0.8
123.11687	2.6
128.06232	1.2
128.19850	0.8
129.06964	3.9
130.07762	1.3
131.08551	12.8
133.10114	10.5
135.08055	1.1
135.11642	4.7
137.09590	1.4
141.06920	2.0
141.86105	1.0
142.07787	4.5
143.08549	10.3
144.09254	1.2
145.10107	12.9
147.11685	7.4
149.09583	1.1
149.13225	1.5
151.11096	1.0
153.06946	1.7
154.07732	1.4
155.08525	11.4
156.09340	3.6
157.10130	13.5
158.10924	1.0
159.11674	12.7
161.13240	10.0
163.14841	1.9
165.06953	2.2
166.07782	1.7
167.08565	5.1
168.09319	3.7
169.10109	13.4
170.10912	1.3
171.11671	9.8
173.09587	1.1
173.13252	6.4
175.11166	5.3
175.14790	2.5
177.12712	3.5
179.08568	5.0
180.09328	2.9
180.10893	0.8
181.10107	11.8
182.10904	4.7
183.11691	14.1
184.12418	1.7
185.09666	0.9
185.13260	7.3
187.11203	1.9
187.14816	5.0
189.12695	3.5
192.09302	2.2
193.10100	8.7
194.10852	3.4
195.11679	13.8
196.12428	3.0
197.13242	14.5
199.11215	0.8
199.14801	5.3
201.12749	1.6
201.16354	2.4
203.14301	2.2
205.10062	1.2
206.10907	2.5
207.11700	10.1
208.12421	5.3
209.13242	16.6
210.13974	2.2
211.11177	1.6
211.14810	11.4
213.12718	2.9
213.16350	2.4
215.14316	2.0
219.11722	2.0
220.12558	1.8
221.13232	10.8
222.14005	2.7
223.14796	21.8
224.15419	1.2
225.12738	2.0
225.16402	5.2
227.14253	2.7
229.15877	2.5
233.13228	2.0
234.14072	2.1
235.14822	7.3
236.15547	2.3
237.16347	16.9
239.14264	3.2
239.17888	3.6
241.15912	2.4
243.17413	1.5
247.14828	1.8
248.15443	1.3
249.16403	7.9
250.17136	1.7
251.17935	7.0
252.18593	1.0
253.15804	3.2
253.19493	2.9
255.17436	2.8
257.18967	1.8
261.16336	1.0
263.17914	11.8
264.18570	2.0
265.19461	2.1
267.17361	4.3
267.20941	2.2
268.18027	2.4
269.18973	1.5
277.19452	7.4
279.21045	34.7
281.19006	10.6
291.20917	1.0
293.22617	1.8
295.20602	4.6
295.23810	0.9
309.22208	1.4
309.25696	3.1
319.24167	15.6
337.25198	100.0
338.25488	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	337.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67128	0.5
53.03945	0.9
53.05012	0.5
55.05508	5.0
57.03428	1.1
57.07052	1.9
65.03919	0.9
67.05502	9.4
69.06733	1.0
69.07066	13.2
71.04978	2.2
77.03885	0.5
79.05495	6.5
81.07056	21.3
83.04951	0.7
83.08602	3.9
85.06539	19.4
91.05489	7.2
93.07035	11.6
95.04961	1.4
95.08606	17.5
97.06508	1.6
97.10157	1.5
99.08118	3.0
100.56760	0.6
103.05484	0.8
105.07029	23.0
107.08602	11.8
109.06478	1.3
109.10163	9.1
111.08057	0.7
113.09605	0.9
114.08799	0.6
114.09759	0.6
115.05450	1.0
117.07058	3.4
119.08585	13.2
121.10130	6.5
123.08088	0.7
123.11653	3.2
128.06169	1.1
129.06973	3.6
130.07857	1.1
131.08563	12.9
133.10139	8.3
135.08020	1.0
135.11702	5.0
137.09601	1.9
137.13263	1.0
141.06967	2.6
141.64110	0.6
142.07776	3.0
143.08553	11.7
144.09348	0.7
145.09213	0.7
145.10126	9.2
146.12288	0.6
147.11696	6.1
149.09529	1.0
149.13232	1.8
151.11185	1.0
152.86584	0.6
153.06969	1.5
154.07732	0.7
155.08545	8.5
156.09291	2.5
157.10130	12.7
158.10869	1.3
159.11705	10.1
161.09630	0.6
161.13271	9.1
163.11143	0.8
163.14764	1.1
165.06981	2.9
166.07773	1.6
167.08549	3.4
168.09296	2.1
169.10139	11.0
170.10909	1.3
171.11710	9.3
172.12248	0.6
173.09608	1.2
173.13295	7.3
175.11191	2.4
175.14803	3.0
177.12744	1.4
178.07832	1.0
179.08534	3.5
180.09274	2.6
181.10124	10.0
182.10909	3.3
183.11691	13.3
184.12341	1.0
185.09644	1.1
185.13264	4.9
187.11127	1.3
187.14857	4.0
189.12691	2.1
191.08620	0.7
192.09328	1.4
193.10112	7.0
194.10855	2.9
195.11687	13.9
196.12555	3.5
197.13261	15.9
198.13800	0.6
199.14821	5.7
201.12781	1.5
201.16347	2.7
203.14293	1.3
205.10072	0.8
206.10902	2.4
207.11705	7.6
208.12431	4.3
209.13254	15.4
210.13846	1.8
211.11104	1.5
211.14821	11.5
213.12759	1.7
213.16374	2.4
215.14258	2.2
219.11700	1.8
220.12474	2.5
221.13239	10.6
222.13982	2.0
223.14807	17.0
224.15569	1.1
225.12798	1.1
225.16348	6.5
227.14270	1.8
227.17917	1.2
229.15869	1.5
233.13220	1.4
234.13936	1.5
235.14868	6.4
236.15601	2.3
237.16393	10.6
238.16962	1.1
239.14313	1.9
239.17972	3.9
241.15825	2.3
243.17430	1.4
245.75374	0.6
247.14861	1.0
248.15515	1.4
249.16365	9.0
250.17033	1.4
251.17935	6.7
252.18686	1.0
253.15858	2.7
253.19467	2.1
255.17387	2.5
257.18958	2.8
261.16354	1.3
263.17917	10.6
264.18475	1.0
265.19485	1.7
267.17383	3.6
267.21024	1.6
269.18872	2.0
276.18781	1.3
277.19513	6.7
279.21072	24.1
281.19012	9.8
291.21021	1.0
293.22620	0.9
294.19785	1.4
294.23050	0.7
295.20544	3.3
295.23874	1.0
309.22360	0.8
309.25778	2.0
319.21317	0.6
319.24167	18.2
337.25195	100.0
338.25595	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01721	0.7
53.03914	1.1
55.05507	7.2
57.03428	1.8
57.07084	1.4
59.04984	0.9
67.05507	10.7
69.07068	13.1
71.04967	1.6
71.44550	1.8
76.96196	0.7
79.05482	6.7
81.07053	18.1
83.04951	1.5
83.08603	4.3
85.06061	1.3
85.06538	14.1
88.84850	0.6
91.05477	9.9
93.06480	1.2
93.07042	14.9
95.04951	1.4
95.08056	1.3
95.08606	17.4
97.06519	2.0
97.10188	0.9
99.08072	2.1
105.06391	1.3
105.07034	18.6
107.07966	1.2
107.08598	14.2
109.06485	1.5
109.10142	9.8
111.08089	0.9
115.05383	0.7
117.07016	3.6
119.08571	15.8
120.08842	0.7
121.06505	1.4
121.10141	10.8
123.08033	1.4
123.11716	4.0
128.06200	2.1
129.07001	3.6
130.07758	0.9
131.08562	10.7
133.10118	9.7
135.08066	2.1
135.11662	4.4
137.09563	1.8
137.13161	0.9
141.06952	2.5
142.07762	2.8
143.08543	11.5
144.09354	1.1
145.10115	15.3
147.07944	1.1
147.11665	8.5
149.09576	2.1
149.13240	2.7
151.11176	0.7
153.06960	0.8
154.07753	1.3
155.08560	8.4
156.09293	2.4
157.10133	12.8
159.07907	0.9
159.11688	13.3
161.09628	1.6
161.13248	8.7
163.14769	2.5
165.06935	2.8
166.07701	0.9
167.08556	5.0
168.09319	2.8
169.10138	13.4
170.10910	1.8
171.11681	9.4
173.09592	1.7
173.13254	7.3
175.11185	5.4
175.14815	3.0
177.12764	2.0
179.08499	3.6
180.09317	2.1
181.10136	11.6
182.10854	3.6
183.11703	12.5
183.25204	0.7
185.09752	1.1
185.13257	6.4
187.11105	2.0
187.14771	2.9
189.12717	2.8
189.16364	1.4
191.14313	2.0
192.09280	1.5
193.10123	6.4
194.10898	3.2
195.11691	13.6
196.12424	2.5
197.13261	11.7
198.13980	1.0
199.11136	0.9
199.14783	4.8
201.12718	1.6
201.16338	2.0
203.14246	1.4
205.10124	1.2
206.10878	1.6
207.11699	7.2
208.12416	3.8
209.13254	14.7
210.13966	1.9
211.11395	1.0
211.14839	10.7
213.12640	2.1
213.16389	2.9
215.14255	2.7
215.18015	1.0
219.11633	1.8
220.12476	1.5
221.13260	10.3
222.13954	1.6
223.14825	14.8
224.15474	1.1
225.12810	1.7
225.16354	3.9
227.14288	2.9
227.17932	1.4
229.15837	3.6
233.13255	1.7
234.13963	1.4
235.14816	7.0
236.15585	2.3
237.16345	10.3
238.17102	0.8
239.14296	3.3
239.17928	5.0
241.15797	3.2
247.14848	1.4
248.15556	1.6
249.16319	7.1
250.17194	1.5
251.17891	7.0
252.18643	1.0
253.15959	4.2
253.19417	2.4
255.17377	2.5
257.18958	1.1
263.17935	9.4
264.18539	1.7
265.19385	2.4
267.17404	4.6
267.20932	1.2
268.18079	1.4
269.18851	1.8
277.19562	7.1
279.18152	1.2
279.21109	22.1
280.21509	1.2
281.19110	7.7
291.20956	2.4
293.22556	1.6
294.19888	1.2
295.20526	3.9
295.23914	1.4
304.21921	0.9
309.22046	2.0
309.25650	2.6
319.20798	1.2
319.24164	19.9
337.25189	100.0
338.25720	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.05504	9.5
60.01068	3.7
67.05496	16.1
69.03406	3.6
69.07064	13.8
69.36376	39.0
71.04974	10.8
79.05491	31.0
81.07057	42.9
83.04958	5.1
91.05470	42.9
93.07039	39.3
95.04966	9.3
95.08612	26.7
97.06540	9.3
98.21510	7.7
105.07035	98.4
107.08598	45.6
109.06501	8.2
109.10142	15.1
113.12270	3.8
114.40356	4.2
117.07017	8.4
119.04887	6.5
119.08585	61.4
121.06462	4.7
121.10153	11.2
123.08069	6.7
128.06223	11.1
129.06998	20.6
131.08572	33.4
133.10164	27.5
135.08040	6.0
137.09564	5.8
139.45868	3.7
142.07802	23.5
143.07660	4.9
143.08568	56.8
144.09183	5.4
145.10117	29.5
147.08080	6.5
147.11726	21.3
149.09569	9.1
155.92708	3.6
156.09384	6.4
157.10135	63.7
159.08087	4.5
159.11699	26.4
161.09630	13.4
161.13258	12.0
169.10097	5.5
170.10931	4.3
171.11685	23.1
173.13214	11.1
184.12495	5.0
189.16396	9.7
199.14833	100.0
211.07512	4.6
217.15875	87.2
221.09633	6.8
235.16937	5.4
241.08582	16.1
259.16882	7.3
277.17773	4.1
279.10013	11.0
321.05997	4.0
322.06686	9.9
337.09207	22.6
337.13617	4.7
338.06470	5.0
338.10049	10.3
338.13800	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	337.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00478	0.8
53.03922	1.6
55.05510	14.5
55.61051	0.8
56.77215	0.8
56.80738	0.7
57.03439	4.7
57.07041	2.6
65.03917	1.4
67.05501	22.3
68.85327	0.7
69.07065	35.6
71.04956	1.7
71.08581	1.5
71.09251	1.6
79.05486	10.2
81.07054	31.5
82.07365	0.9
83.04926	2.1
83.08617	9.9
85.06538	23.2
91.05477	12.9
93.07039	22.4
95.04915	3.1
95.08601	29.0
97.06466	2.7
97.10182	6.7
99.08108	5.2
103.05386	0.8
105.07027	30.0
107.06056	0.7
107.08591	18.3
109.06449	0.8
109.09455	1.0
109.10151	14.0
111.08060	0.9
111.11646	1.2
115.05437	1.1
117.07001	6.4
119.08576	23.4
121.06434	1.4
121.10141	10.9
123.08025	1.5
123.11697	5.5
128.06186	1.8
129.07011	5.5
130.07683	1.3
131.08557	14.9
133.06425	0.9
133.10112	13.1
135.11681	9.7
137.09509	0.7
137.13144	1.9
141.06923	3.6
142.07773	6.5
143.08574	10.2
144.09254	1.0
145.10117	13.9
147.07889	1.0
147.11682	7.4
149.13193	3.3
149.96555	0.9
153.06885	1.3
154.07716	2.0
155.08539	11.2
156.09354	4.6
157.10114	19.6
158.10727	1.5
159.10463	1.1
159.11682	15.3
161.09523	1.9
161.13243	16.3
163.11104	1.3
163.14742	2.8
165.06900	2.8
166.07677	2.4
167.08571	6.5
168.09203	3.0
169.10120	14.5
170.10756	2.6
171.08017	0.8
171.11696	12.6
173.09595	2.0
173.13231	7.0
175.11188	9.4
175.14728	3.4
177.12634	3.1
178.07747	1.2
179.08531	6.5
180.09315	3.7
181.10101	10.9
182.10896	3.9
183.11687	17.3
184.12076	1.3
185.13268	7.8
185.60799	0.7
187.11092	1.4
187.14708	3.0
189.12717	4.1
191.14371	1.0
192.09247	2.2
193.10123	10.9
194.10934	6.3
195.09969	1.1
195.11665	16.7
196.12386	3.9
197.13246	15.3
198.13736	1.3
199.11130	1.4
199.14833	3.8
201.12605	1.7
201.16307	1.6
203.14229	2.5
205.10008	1.1
206.10814	2.3
207.11681	11.6
208.12497	6.7
209.13239	20.1
210.14011	5.0
211.13071	0.9
211.14804	11.7
213.12578	3.3
213.16263	1.3
215.14215	2.3
219.11491	2.4
220.12373	2.1
221.13237	10.3
222.13849	2.8
223.14790	27.2
224.15424	1.7
225.12694	1.6
225.16357	6.3
227.14319	4.0
227.17870	1.4
229.15726	3.2
233.13045	1.5
234.13832	1.6
235.14790	7.0
236.15504	1.9
237.16362	15.8
238.16647	1.3
239.14160	2.4
239.17807	2.7
241.15828	5.3
241.19562	1.3
243.17334	2.1
247.14746	1.3
248.15343	1.0
249.16391	8.7
250.16960	2.6
251.17918	6.6
253.15839	4.5
253.19383	2.2
255.17258	3.1
261.16211	1.2
263.17957	8.6
264.18503	2.2
265.19321	2.2
267.17441	7.7
267.20270	1.3
268.18079	2.3
269.18829	2.4
277.19540	4.8
279.21063	49.9
280.21307	2.5
281.16138	0.9
281.19009	14.7
293.22409	1.4
294.19672	1.1
295.20602	3.9
304.21600	1.1
309.22003	1.5
309.25604	1.7
319.20782	0.9
319.24207	14.5
337.25000	100.0
338.10257	1.0
338.25247	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	337.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09584	2.2
55.05503	7.2
67.05497	8.4
69.07049	7.6
70.71275	5.1
70.71644	5.2
71.04985	3.9
79.05499	16.3
81.07056	33.7
83.08634	2.4
90.14736	2.2
91.05468	28.1
93.07050	28.2
95.04948	4.0
95.08612	20.9
103.37862	2.2
105.07027	96.4
106.07384	2.7
107.04990	2.3
107.08595	39.3
109.06516	7.8
109.10162	8.9
115.03891	3.4
115.05470	3.9
117.07020	11.1
117.70108	2.1
119.08577	58.8
120.08958	2.5
121.06499	3.8
121.10131	8.1
123.08056	5.8
128.06216	13.8
129.07007	20.4
131.08575	28.7
133.06470	2.8
133.10127	23.3
135.08005	3.4
142.07770	16.7
143.08563	67.5
144.09030	3.5
145.10089	17.6
147.08148	2.7
147.11684	12.5
149.09560	3.8
155.08588	4.2
156.09338	4.7
157.10118	67.5
158.10533	4.6
159.11687	17.9
161.09587	7.7
161.13261	9.5
169.10075	4.0
170.10899	5.7
171.11656	21.9
173.13368	4.4
175.11218	4.2
175.14821	5.8
184.12486	7.0
189.16383	12.3
191.01637	2.4
199.14816	100.0
200.15201	5.4
203.44458	2.3
207.38087	2.3
208.60069	2.5
217.15880	72.6
218.16222	3.0
259.16995	3.0
272.66068	2.1
319.96439	2.4
337.09058	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	337.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.05503	11.8
66.77850	3.6
67.05501	25.2
69.07052	12.2
70.86430	8.4
73.40199	3.8
74.63785	3.8
79.05474	30.4
81.07055	59.9
91.05477	45.9
93.07043	37.0
95.04953	24.1
95.08598	42.3
97.06537	7.3
98.35383	3.8
105.07025	100.0
107.08576	39.4
109.06523	18.6
109.10149	13.2
109.54684	4.3
117.07000	28.0
119.08578	71.1
121.10143	35.3
123.08093	7.9
128.06242	15.6
129.06982	22.7
131.08549	36.6
133.10114	44.2
135.08099	5.9
142.07784	26.4
143.08545	35.3
144.09329	11.9
145.10124	18.6
147.08105	4.4
147.11668	19.4
154.57428	4.9
156.09343	5.3
157.10130	49.6
159.11676	87.2
161.09612	9.4
161.13251	39.6
162.13548	5.2
169.10114	8.4
171.11655	15.9
173.13246	8.6
175.11205	10.8
187.14902	6.2
189.16353	17.5
199.14839	44.1
217.15852	41.3
241.08557	4.5
251.10127	5.2
322.06866	9.2
337.08984	20.3
337.14346	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	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.01868	4.7
55.05501	12.0
67.05503	22.0
69.03438	4.4
69.07079	29.8
69.77051	23.7
71.04980	5.4
79.05499	41.1
81.03399	4.1
81.07057	38.5
83.04978	6.5
83.08627	4.6
91.05485	25.1
93.07056	24.7
95.04961	8.3
95.08616	22.2
97.06535	89.3
105.07034	96.9
107.04930	3.1
107.08589	45.7
109.06515	9.5
109.10134	10.1
115.03929	3.5
115.05483	6.6
117.07032	7.9
119.08582	53.2
120.70483	2.8
121.06479	5.2
121.10129	9.8
123.08035	4.3
123.11690	4.1
128.06192	10.7
129.07036	18.4
131.08560	23.4
133.10117	26.1
133.99222	3.0
135.08032	4.5
135.11719	3.0
137.09590	7.2
141.06984	7.8
142.07779	19.5
143.08565	70.3
144.09099	3.1
145.10139	24.0
147.08008	6.7
147.11679	16.5
149.09631	4.7
156.09290	4.6
157.10124	59.2
159.11694	20.7
161.09636	8.6
161.13242	10.6
165.06967	5.0
167.08569	6.9
169.10094	5.1
171.11684	25.0
173.13237	8.9
175.11230	3.5
175.14848	6.7
179.08487	5.1
181.06458	4.2
183.08022	3.6
184.05138	4.5
184.12419	3.7
189.16360	10.1
195.08076	6.9
197.06029	6.2
197.09763	3.8
199.12970	6.7
199.14821	95.4
199.41675	3.2
200.15210	6.0
201.12758	4.9
209.78227	4.2
211.07582	14.9
212.08282	6.3
213.05437	5.3
213.09048	6.4
215.10640	6.2
217.15878	74.4
218.16196	3.8
220.44893	3.1
221.09587	3.1
223.07594	7.0
226.06218	9.6
237.09087	7.3
239.07007	7.7
240.07811	16.0
241.08578	79.5
242.08833	4.8
267.13556	5.6
293.11642	9.1
293.15518	3.6
337.10385	8.3
337.14316	100.0
338.10275	11.0
338.14151	6.7
338.17688	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
70.06010	9.3
89.57009	1.6
90.38575	1.6
98.20828	2.3
98.97594	3.3
112.99173	2.0
116.07044	1.6
119.01967	1.9
131.00201	2.8
131.01927	2.2
145.03482	4.2
157.03452	2.7
166.00899	1.7
171.76010	1.7
217.01933	3.9
235.03130	2.2
283.07025	2.4
337.08932	100.0
337.17581	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	3.3
56.96565	49.5
61.02913	2.1
69.03413	5.8
69.78545	10.1
70.06585	3.0
70.98120	8.9
71.95257	3.3
73.02915	2.4
74.59895	1.3
75.16816	1.5
76.24725	1.3
82.06557	1.5
84.08168	1.4
84.96016	7.6
85.02908	7.9
88.99148	5.0
97.02902	3.2
98.97581	83.6
109.02861	1.9
110.53948	1.6
110.74215	1.4
110.97568	23.8
112.05085	3.4
112.99133	53.6
115.53598	1.5
116.98618	39.4
119.00140	1.8
124.95483	2.4
124.99129	2.1
127.03936	2.5
128.98607	26.5
131.00165	68.5
133.01749	4.2
133.03508	1.9
134.99626	9.6
138.58351	1.5
140.98575	3.4
142.96512	3.1
143.00145	5.3
144.98024	2.7
145.01672	1.8
146.99664	20.4
149.01216	28.4
151.02768	1.8
152.98599	2.7
154.01750	2.8
157.01688	1.8
158.99660	18.0
161.01244	5.4
162.99162	3.3
163.02719	3.1
165.00751	7.8
167.02287	1.3
170.95963	3.7
170.99667	7.2
172.02843	1.6
173.01222	12.8
173.02678	2.0
174.99208	2.6
175.02812	5.9
177.00731	13.5
178.04970	4.1
183.89696	1.5
188.97095	10.5
189.00685	10.8
190.98721	1.8
191.02289	10.5
193.00227	2.6
193.03804	10.9
201.00757	5.2
202.98651	5.9
206.98106	4.8
207.01836	5.5
209.01198	2.1
211.04895	4.7
212.97124	2.0
217.00148	2.3
217.03778	3.1
219.01770	38.8
220.99670	3.1
223.01213	2.3
225.02820	1.4
229.03891	1.8
230.98077	10.2
233.03407	4.5
235.01212	2.3
235.04939	1.9
237.00424	3.3
237.02821	60.8
244.99724	6.1
248.99164	4.6
251.04167	2.1
255.03859	3.5
263.00787	23.7
263.04337	3.8
269.05597	1.5
275.04379	11.5
277.02298	4.9
277.05963	14.2
281.02106	3.0
281.05438	6.3
286.02325	1.7
293.05478	12.7
293.99377	1.6
295.03745	2.6
295.06964	50.4
318.08554	1.6
337.08615	100.0
338.09195	2.1
355.09067	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	337.0804
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
50.32675	0.6
56.96561	50.0
63.63310	0.7
64.33931	0.7
68.96580	0.9
69.03421	1.4
70.06629	1.1
70.41128	3.1
70.98116	12.0
71.95271	2.1
72.96059	1.1
74.97590	1.5
84.96045	9.6
85.02917	1.4
88.99152	7.9
92.59508	0.8
97.02895	1.2
98.97581	100.0
99.97934	0.8
102.97115	0.8
107.00191	1.8
110.97564	26.4
112.05058	0.9
112.99131	28.3
115.00661	1.6
116.98616	42.0
124.95457	3.5
124.99094	0.8
126.97037	0.8
128.98602	32.1
131.00168	33.5
133.01712	6.4
134.99652	11.8
140.00223	1.9
140.98589	3.2
142.96521	5.3
143.00142	5.6
144.98080	2.5
145.01752	2.4
146.99652	26.1
149.01218	17.8
151.02779	3.6
152.00197	1.0
152.98584	5.1
155.00075	1.0
157.01718	2.3
158.01334	1.1
158.99652	26.1
160.97568	1.9
161.01207	7.9
162.01970	0.8
162.99136	2.6
163.02774	1.2
165.00748	11.0
167.02356	1.2
170.96031	4.0
170.99651	10.9
172.97610	1.1
173.01225	5.0
174.99161	4.3
175.02786	8.3
177.00714	22.3
179.02284	2.4
183.01787	1.5
184.97580	4.2
187.02786	2.2
188.97090	14.1
189.00681	14.8
191.02301	4.4
193.00189	3.9
193.03842	7.1
195.01790	3.0
201.00687	5.0
201.04366	0.9
202.98630	7.5
203.02184	0.9
205.00082	3.7
205.03836	1.6
206.98177	7.6
207.01726	8.7
211.02951	0.9
211.04958	1.9
212.97014	2.7
214.98648	1.0
217.00197	1.8
217.03839	3.0
219.01759	41.9
220.99664	4.8
223.01363	3.0
225.02921	0.9
227.02290	0.8
229.03899	1.7
230.98100	13.0
232.99728	1.3
233.03305	1.7
235.01268	3.2
235.04900	2.0
237.02806	65.7
238.03218	1.7
242.03320	1.1
244.99701	5.8
248.99231	5.5
249.02847	1.5
255.03836	5.2
256.05383	1.6
259.05054	0.8
260.04498	2.3
263.00742	19.3
263.03635	0.8
265.05911	0.9
275.04337	5.2
277.02341	8.0
277.05951	25.3
277.08981	1.5
281.01743	3.6
281.05396	2.5
286.02243	1.2
293.05405	6.2
295.03598	3.0
295.06985	73.1
296.07330	2.1
305.01932	1.6
318.08600	3.1
319.07065	0.8
337.08084	38.7
338.08456	1.5
355.09106	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	337.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32117	0.8
50.75988	0.8
56.96563	55.6
60.03446	0.7
67.75481	0.8
68.57719	0.7
68.96568	1.0
69.03416	1.0
70.86406	1.8
70.98122	13.3
71.95252	1.8
72.96034	1.4
74.97594	1.5
84.96028	9.4
85.02855	0.8
88.99149	9.0
98.97579	100.0
107.00188	1.9
110.97567	27.1
112.99123	20.1
115.00684	2.3
116.98617	43.2
124.95504	4.8
124.99106	1.7
128.98604	34.9
131.00157	24.7
133.01712	7.1
134.99657	12.0
138.28459	0.8
140.00159	1.1
140.98589	5.3
142.96530	5.6
143.00150	5.7
144.98094	4.0
145.01675	1.7
146.99637	24.3
149.01210	11.0
151.02798	3.1
152.00195	0.9
152.94945	1.0
152.98567	3.5
156.98051	1.5
157.01671	0.9
158.99654	19.8
160.97600	3.0
161.01218	6.5
162.99107	2.2
165.00705	11.4
167.02299	0.9
169.44347	0.9
170.96031	4.8
170.99628	9.8
172.97600	1.7
173.01216	3.3
174.99150	3.5
175.02759	6.8
177.00694	16.6
179.02238	1.9
183.01778	0.8
184.97554	2.6
186.99174	0.9
187.02737	1.0
188.97066	16.3
188.98775	1.2
188.99115	1.1
189.00677	11.1
190.71638	0.8
190.98648	1.2
191.02260	2.2
193.00198	3.0
193.03827	5.1
195.01723	1.1
199.02779	0.9
201.00673	3.5
202.98578	7.1
205.00203	4.6
205.03847	1.0
206.02879	1.0
206.98163	7.3
207.01741	7.3
211.02873	0.8
211.04903	1.5
212.65947	0.8
212.97090	1.7
217.00229	2.3
217.03802	2.9
219.01753	30.7
220.99687	6.1
223.01312	2.9
229.03670	1.0
230.98152	10.2
235.01308	2.7
235.04866	1.7
237.02803	48.1
244.99686	6.4
248.99139	5.1
255.03853	2.7
263.00739	19.4
275.04312	2.8
277.02365	7.4
277.05939	14.9
277.08823	0.7
281.01770	3.3
281.05212	1.1
283.06897	0.8
286.02368	1.3
293.05460	2.6
295.03503	2.9
295.06976	49.9
296.07242	1.0
305.01666	1.4
318.08401	2.0
329.10535	0.9
337.08063	22.3
355.09152	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	336.0865
Annotation	Oxocrebanine
Peak:m/z	Relative Intensity
69.42477	2.7
76.99915	0.2
117.72677	0.3
182.54503	0.3
191.07362	1.3
198.05545	0.3
219.06772	14.6
220.07236	0.8
222.05498	0.5
234.05307	0.6
235.06221	0.9
236.07141	0.7
246.05461	0.8
247.06279	34.5
248.06686	2.0
250.04973	6.1
251.05562	0.8
258.05740	0.4
262.05014	4.4
263.05646	0.9
264.06580	5.4
265.07153	0.5
274.05011	1.3
275.05756	37.6
276.06274	2.7
278.04465	4.1
279.05280	2.2
289.03564	0.5
290.04514	2.2
292.06021	14.1
293.06766	9.0
294.07019	0.3
303.05252	9.0
304.05823	1.6
306.03925	2.5
307.04782	0.4
308.05740	0.5
308.09149	10.9
309.09399	0.6
320.05499	2.2
321.06265	2.9
321.09656	0.4
336.08643	100.0
337.08975	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	336.1665
Annotation	Isopentenyladenosine
Peak:m/z	Relative Intensity
55.01862	0.8
57.03426	1.2
61.02924	0.5
62.19185	0.3
67.05489	0.4
69.03430	0.6
69.07064	8.0
70.06593	0.8
71.01345	0.7
71.21667	0.6
73.02927	0.8
84.08125	0.4
85.02895	0.9
95.04942	0.3
97.02920	0.5
100.10664	0.3
100.11256	0.8
105.07012	0.3
116.38388	0.3
119.03537	1.1
121.05057	0.3
136.06180	100.0
137.04565	0.9
137.06523	1.2
145.10072	0.4
148.06171	36.9
150.28500	0.3
157.22020	0.3
163.11159	1.1
178.07170	0.4
185.06065	0.4
204.12445	74.4
205.12781	2.5
209.16406	0.5
217.75398	0.4
278.83090	0.3
293.11780	0.7
316.73538	0.3
336.16644	28.0
337.10590	0.5
337.17026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
62.41972	2.1
67.05498	4.8
69.07069	2.8
77.68488	1.8
79.05499	5.5
81.07045	8.9
91.05469	7.1
93.07043	4.0
95.08617	3.8
97.06521	4.5
105.07034	7.0
107.08556	3.3
115.25994	2.0
119.08576	5.2
121.10239	2.3
124.74461	2.1
129.07031	3.0
131.08559	3.1
133.10149	2.4
142.07771	3.0
143.08554	4.1
145.10120	3.1
152.07104	4.4
157.10146	2.8
161.13374	2.1
194.93030	2.2
195.11726	2.3
199.14861	2.9
209.13335	2.7
223.14653	2.1
229.18974	2.2
235.06290	4.7
241.08684	3.6
250.05034	5.9
263.05768	4.0
264.06522	2.5
277.07724	2.1
278.04480	7.8
291.05252	2.9
292.06104	15.4
302.08289	2.6
306.03955	10.6
306.07413	3.8
307.11902	3.5
312.36310	2.2
318.23834	2.5
320.05640	5.6
321.06290	48.6
322.06662	4.3
336.08676	100.0
336.12372	9.7
336.24301	8.7
337.08844	11.9
337.14438	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	336.0865
Annotation	Oxocrebanine
Peak:m/z	Relative Intensity
55.25919	0.2
56.00230	0.2
57.95105	0.3
70.18785	1.3
73.08939	0.2
91.98988	0.2
97.06543	0.4
99.92177	0.2
135.15965	0.3
176.97296	0.3
206.06017	1.5
207.06746	1.6
208.07414	0.3
211.06131	0.5
215.05750	0.3
217.05173	0.3
222.05362	0.3
234.05524	1.8
235.06245	12.8
236.06894	1.3
239.05804	1.7
241.08636	0.3
245.04820	0.4
248.07103	0.4
250.04984	2.6
254.24194	0.3
262.04904	0.9
263.05765	9.7
264.06522	3.7
267.05310	1.4
268.06033	4.2
275.05759	0.7
276.06479	0.8
278.04492	0.9
281.91000	0.3
290.04260	0.3
291.05240	6.5
292.06018	37.4
293.06552	2.6
304.06027	6.2
305.06232	0.3
307.04733	1.6
320.02621	0.3
320.05511	16.4
321.06296	40.2
322.06656	2.0
336.08636	100.0
337.08969	6.0
337.14810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14862	1.2
54.28531	1.3
56.96291	2.4
56.96564	36.9
58.99860	4.2
60.05642	2.3
64.16779	1.6
70.00980	7.4
70.06609	6.9
70.99857	2.7
74.97599	2.1
77.00909	15.2
82.99849	1.7
84.08154	1.7
84.96025	5.4
89.00884	6.0
95.01945	5.5
98.97587	59.9
101.00887	16.3
103.02450	3.3
110.97563	3.9
112.99084	1.4
113.00876	1.5
115.02439	3.4
116.98626	30.0
119.01926	37.0
121.03480	1.6
124.99127	2.0
127.02399	7.9
128.98601	5.2
131.00174	1.7
131.01895	15.3
133.03471	4.8
134.99702	7.2
135.01364	3.2
137.02953	3.2
139.02365	6.9
140.00079	1.5
140.98550	3.2
140.99591	1.5
143.00175	13.2
143.01906	7.1
144.98068	3.5
145.03465	48.5
146.99612	3.7
147.01424	2.6
149.02988	3.4
153.02431	2.8
155.01930	7.2
156.98059	1.4
157.03467	44.1
158.99712	7.8
161.01279	9.0
161.02945	9.3
161.63248	1.2
162.99153	2.7
163.04552	4.4
163.96312	2.0
164.86736	1.4
165.00700	4.0
167.01909	2.5
169.03487	2.8
170.99850	1.4
171.01369	4.6
173.02982	18.1
174.47311	1.4
174.99168	6.2
175.04533	5.1
175.11971	3.1
177.00725	11.1
178.13374	1.4
179.02170	2.0
181.00345	1.8
183.01732	1.4
185.02998	11.2
186.99120	2.5
187.04564	3.1
189.00748	2.8
189.02448	5.4
193.00258	10.7
199.00851	3.1
199.04558	1.9
201.00682	2.0
203.02213	0.9
203.04015	27.2
205.00223	17.8
205.02049	2.4
211.01205	1.8
217.00139	5.3
217.01964	24.1
219.01813	5.7
220.03587	1.7
221.05080	75.8
222.05241	2.8
223.01324	5.8
228.01805	1.8
235.01108	13.3
235.03383	7.7
237.02835	38.2
238.03426	1.5
239.06116	100.0
240.06345	2.6
244.06721	3.9
247.06647	25.8
249.02666	3.0
255.03886	47.7
258.04822	1.7
262.07745	5.1
263.06036	2.4
265.07700	28.3
275.06122	92.1
276.06268	3.4
277.04425	2.3
279.07327	2.0
291.05527	7.6
295.03351	3.1
319.05115	78.1
320.05322	3.7
337.06146	40.3
337.09970	1.9
337.17221	4.1
355.05304	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05514	20.7
56.80379	3.1
57.03434	23.0
59.28553	3.1
65.03946	3.9
67.05163	4.2
67.05504	77.6
69.07049	18.3
69.76132	11.5
69.76556	8.0
79.05495	40.5
81.07050	78.0
83.08607	8.7
83.87306	3.0
91.05479	24.7
93.07040	46.7
95.08599	77.0
97.10172	3.7
97.50574	3.1
101.66192	3.1
105.07008	12.1
107.08597	23.4
109.10153	31.7
117.07050	6.8
119.08564	11.2
121.10123	19.8
123.11690	10.1
123.41763	3.2
131.08557	9.8
133.10129	9.1
135.11691	19.7
137.13213	4.4
145.10110	5.5
149.13283	3.6
159.11707	5.5
161.13190	4.0
163.14836	3.5
173.13275	6.7
192.23625	2.9
243.21082	4.4
244.72409	3.6
261.22162	8.7
284.43640	3.1
335.25787	100.0
336.08682	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	4.1
55.05516	22.4
57.03436	31.5
59.91917	3.2
67.05501	84.4
69.07068	20.2
71.65170	6.1
73.22334	3.8
73.97902	2.6
79.05485	42.1
81.07055	78.6
83.08604	10.8
91.05479	22.7
93.07040	47.6
95.08595	70.1
95.09129	2.2
96.37612	3.6
97.06535	5.8
97.10155	4.4
99.38115	3.0
100.03899	3.2
105.07022	18.2
107.08575	25.8
109.06540	5.3
109.10136	28.4
111.08099	3.6
117.07012	6.0
119.08561	9.3
121.10122	23.2
123.11669	11.8
131.08559	9.5
131.09535	2.9
133.10115	14.8
135.11674	14.4
145.10100	10.8
147.11621	4.0
149.13275	10.7
159.11722	4.9
161.13210	4.5
163.14769	5.0
173.13292	5.8
187.14839	4.5
209.27158	3.2
243.20953	4.4
261.22208	11.5
280.69385	3.6
335.25769	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	336.0861
Annotation	Oxocrebanine
Peak:m/z	Relative Intensity
67.99958	0.1
71.65972	0.2
81.07034	0.2
94.45573	0.1
166.06516	0.2
167.08665	0.2
172.30672	0.2
181.10429	0.2
194.05943	0.6
198.05473	0.2
206.05975	0.3
207.06439	0.2
222.05463	2.1
223.06180	0.2
224.03192	0.2
234.05481	0.6
235.06166	1.2
235.78542	0.2
236.07007	0.3
237.07866	0.5
238.04393	0.2
239.05740	0.5
240.05862	0.2
241.07333	0.2
247.06294	0.6
248.03433	0.4
250.04976	9.9
251.05617	1.3
257.75577	0.2
262.04968	1.4
263.05707	1.4
264.06470	1.5
265.07266	2.2
266.04434	1.1
267.05136	0.2
268.06027	0.3
269.06830	1.2
271.04733	0.6
272.63480	0.1
275.05664	0.3
276.02774	0.7
276.06238	0.1
278.04462	14.2
279.04840	0.7
290.04498	1.0
291.05203	1.0
292.06033	4.3
293.06775	3.3
294.03934	4.6
294.07230	0.3
295.04453	0.4
297.05954	0.2
304.06088	0.6
306.03934	17.7
307.04465	1.0
309.06348	0.6
320.05511	3.5
321.06274	59.5
322.06628	3.2
334.90424	0.1
336.08609	100.0
337.08945	5.2
337.14578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	6.4
55.05509	23.2
55.18930	4.9
57.03444	26.4
57.59942	4.8
67.05168	6.8
67.05505	100.0
69.07069	26.7
71.64915	5.5
78.94190	4.2
79.05490	55.2
81.07053	96.0
83.08614	11.8
84.82606	4.0
91.05463	27.1
93.07035	52.9
95.08599	81.4
97.10120	4.5
105.07044	21.3
107.08591	32.7
109.10143	37.5
117.06952	4.8
119.08568	9.7
121.10143	18.0
123.11723	14.1
131.08575	12.7
133.10161	14.2
133.38968	4.2
135.11673	13.7
147.11697	5.9
149.13277	10.7
159.11719	6.5
161.13235	6.2
163.14833	6.2
261.22083	12.1
307.79645	4.4
335.25809	93.7
336.08676	8.2
336.26169	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	4.2
55.05265	1.9
55.05514	26.1
57.03438	28.2
57.07063	1.5
65.03944	4.7
67.05506	100.0
68.05835	1.4
69.03434	1.2
69.07070	24.8
69.47897	9.6
69.48312	2.2
71.04992	1.7
72.84697	1.0
79.05496	52.3
81.07057	84.3
81.44073	1.0
83.04987	2.0
83.08618	9.8
85.06553	4.3
91.05479	23.4
92.81853	1.2
93.07043	50.9
95.04987	4.3
95.08611	64.4
97.06554	2.3
97.10173	2.7
98.20813	2.3
98.98471	1.5
105.04559	1.0
105.07036	15.0
107.08592	25.7
109.06548	2.3
109.10157	23.7
113.47615	1.0
117.07043	2.8
119.08577	10.8
121.06471	1.9
121.10138	18.9
123.08109	2.1
123.11691	6.3
131.08585	5.9
133.10144	9.3
135.11687	9.3
137.09673	1.2
137.13275	2.5
145.10168	4.4
147.11702	4.3
149.13266	6.8
155.08595	1.3
157.10199	1.6
159.11711	5.2
161.13321	3.2
163.14781	1.2
171.11739	1.5
173.13295	3.0
187.14859	1.3
197.13341	1.3
201.85646	1.1
205.33749	1.1
209.13411	1.3
221.13274	1.6
223.14815	1.2
235.57823	1.0
261.22287	3.0
277.19608	2.1
311.97525	1.4
335.25903	91.8
336.08664	1.6
336.26279	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	335.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.05507	25.8
57.03439	27.5
57.07085	2.7
65.03949	3.8
67.05502	100.0
69.07063	32.7
71.04987	14.4
71.64574	2.3
73.83871	2.0
75.65495	2.1
77.24276	2.9
79.05486	61.8
81.07056	96.0
83.08612	8.8
85.06522	3.4
88.03460	2.3
91.05475	57.1
93.07038	68.9
95.04956	14.3
95.08604	77.6
97.06547	7.0
97.10167	5.3
103.05454	3.3
105.07027	57.8
107.08591	43.6
109.06522	7.0
109.10148	38.6
111.08038	2.6
115.05451	6.1
116.06267	4.5
117.07034	11.7
119.08583	56.8
121.10130	33.8
123.08072	5.6
123.11713	8.9
128.06229	4.9
129.07011	9.3
130.07770	4.4
131.08556	48.9
133.10124	51.0
135.08076	10.7
135.11685	19.6
137.09691	3.7
137.13242	3.3
141.07008	5.4
142.07794	8.2
143.08549	22.9
144.09294	4.6
145.10115	45.0
147.08110	2.4
147.11691	16.4
149.09598	4.5
149.13307	8.1
155.08536	8.4
156.09337	12.7
157.10158	23.7
158.10893	8.5
159.11656	11.8
161.09625	7.0
161.13300	9.4
163.14777	4.5
165.07013	3.9
167.08554	3.8
169.10144	11.3
170.10934	4.2
171.11664	17.7
173.13252	35.6
175.14832	7.3
179.08543	5.7
181.10182	4.6
182.10966	2.8
183.11713	8.3
185.13268	8.1
187.14864	12.0
193.10173	5.4
194.10867	3.6
195.11617	12.2
197.13298	15.5
199.14786	13.7
205.10103	3.0
206.10953	4.9
207.11754	5.9
208.12552	4.3
209.13281	6.8
211.14847	6.0
212.15601	5.8
213.12549	3.0
221.13281	7.3
222.13921	2.8
223.14832	7.7
235.14838	8.0
237.16400	5.2
243.21089	4.2
245.13321	2.5
247.14822	3.1
251.18045	3.7
261.22159	8.3
265.19492	3.5
277.19516	10.1
317.25015	3.5
321.06198	3.7
335.26239	73.7
336.08606	4.6
336.26294	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05516	3.5
57.03415	0.9
57.07062	0.7
60.61031	0.5
62.57273	0.5
65.03931	0.8
67.05502	7.7
68.82061	0.5
69.03437	0.6
69.07064	9.0
71.04974	2.6
71.64449	0.8
74.38728	0.5
79.05481	6.6
81.07056	13.0
83.04955	1.6
83.08588	1.3
85.06541	21.5
91.05473	7.9
93.07047	10.3
95.04955	2.0
95.08601	10.8
97.06525	1.6
99.08078	2.0
101.96918	0.6
105.07034	15.4
107.08591	9.6
109.06499	1.7
109.09496	0.8
109.10143	5.0
111.08056	1.3
115.05417	1.0
117.07002	4.3
119.08582	11.3
121.06480	0.9
121.10150	5.1
123.08051	2.1
123.11667	1.0
125.09624	0.6
127.61208	0.5
128.06192	2.0
129.07007	4.6
130.07744	0.6
131.08556	10.2
133.10133	7.4
135.08070	1.1
135.11667	1.8
137.09619	1.0
141.06972	2.4
142.07761	3.8
143.08545	9.0
144.09305	0.9
145.10110	7.7
147.11697	2.7
149.09602	1.5
149.13220	1.1
153.06995	1.5
154.07797	0.7
155.08534	7.7
156.09351	3.6
157.10114	10.9
159.08084	0.8
159.11700	9.4
161.09521	0.8
161.13316	3.1
165.06984	4.0
166.07788	1.4
167.08560	4.4
168.09274	1.8
169.10153	8.5
170.10774	1.6
171.08012	0.8
171.11690	8.1
173.09572	1.5
173.13254	3.5
175.11172	2.0
178.07845	1.4
179.08546	6.3
180.09306	2.9
181.10101	7.1
182.10893	2.6
183.11690	7.2
184.12276	1.0
185.09665	0.8
185.13261	4.5
187.11192	1.3
187.14755	1.0
189.12743	0.6
190.07755	0.8
191.08563	2.9
192.09320	4.8
193.10132	12.1
194.10930	4.9
195.09898	0.7
195.11691	13.3
196.12404	1.9
197.13255	9.2
198.13521	0.8
199.14828	3.1
201.12704	1.1
201.16200	0.6
203.08629	1.3
204.09248	0.9
205.10104	5.2
206.10916	8.7
207.11678	13.3
208.12392	3.2
209.09460	0.7
209.13239	13.8
209.28893	0.5
210.13907	1.2
211.11198	0.7
211.14793	3.1
213.12775	2.2
213.16455	1.1
215.14250	2.3
217.10094	1.9
218.10902	2.0
219.11670	8.8
220.12408	5.3
221.13248	21.4
222.13959	3.6
223.11255	1.4
223.14781	7.8
224.15491	0.7
225.12724	1.8
225.16353	2.1
227.14252	1.6
231.11626	2.4
232.12408	3.4
233.13217	7.2
234.14021	3.5
235.11240	0.9
235.14819	15.6
236.15457	2.3
237.12735	2.0
237.16335	4.6
239.14316	1.4
239.17871	0.9
241.15903	1.7
245.13199	2.1
246.13971	2.9
247.14790	11.2
248.15527	3.1
249.12543	0.7
249.16353	8.0
250.17159	1.4
251.14218	1.3
251.17999	4.6
253.15791	1.7
255.17436	1.3
259.14899	1.3
260.15591	1.6
261.16385	10.3
262.17184	4.9
263.14285	0.7
263.17908	3.7
264.18710	1.6
265.15909	3.4
265.19412	3.0
266.16565	1.1
267.17422	1.9
273.16428	1.2
274.17047	1.2
275.17975	7.5
276.18484	1.1
277.19501	38.1
278.19934	2.7
279.17404	9.4
280.17844	0.8
287.17798	0.9
288.18420	0.7
289.19507	1.2
291.20996	2.5
292.18228	0.8
292.21835	1.4
293.18979	4.3
293.22452	1.2
294.11157	1.3
302.20157	1.8
306.04205	0.6
307.20779	1.0
307.24225	3.8
309.78189	0.6
317.22604	12.3
318.23035	1.0
320.21283	0.9
321.06262	2.3
335.23660	100.0
336.08661	5.0
336.12277	1.1
336.23978	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	335.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05510	4.4
57.07055	0.6
58.06571	0.6
67.05499	6.2
69.03404	1.0
69.07061	7.6
70.38783	1.6
70.39173	1.0
71.04972	2.1
71.08621	0.6
78.50744	0.5
79.05486	5.7
81.07051	11.5
82.17034	0.5
83.04964	1.7
83.08606	1.9
85.06537	12.0
91.05471	8.4
93.07042	10.4
95.04960	2.1
95.08603	10.0
97.06523	1.5
97.10146	1.0
99.08071	1.9
103.05463	0.5
105.07021	16.6
107.04938	0.6
107.08580	10.6
109.06510	1.2
109.10161	4.6
111.08076	1.0
115.05438	1.0
116.06258	0.8
117.07011	3.8
119.08572	12.6
121.06477	0.7
121.10133	7.2
123.08037	0.9
123.11703	0.9
128.06200	2.2
129.06989	3.9
130.07768	0.9
131.08565	9.2
133.06462	0.5
133.10135	9.2
135.08025	1.0
135.11699	2.3
137.09602	1.8
139.11334	0.5
141.06981	2.5
142.07767	4.8
142.36449	0.5
143.08553	10.5
144.09315	1.7
145.10118	7.8
147.11682	4.0
149.09572	1.3
149.13177	1.2
151.11179	0.8
152.06180	0.6
153.06989	1.3
154.07834	1.0
155.08540	8.1
156.09351	3.5
157.10109	10.7
158.10846	0.9
159.08034	0.7
159.11684	12.1
161.09644	1.3
161.13266	3.6
163.11150	1.0
165.06963	3.5
166.07765	1.6
167.08546	3.8
168.09354	2.8
169.10124	9.8
170.10851	1.2
171.11690	10.4
173.09593	1.9
173.13228	3.8
175.11151	3.5
175.14771	0.8
177.12714	1.3
178.07762	1.4
179.08533	5.7
180.09296	3.6
181.10100	7.8
182.10844	3.3
183.11685	7.0
184.12227	0.6
185.09584	0.6
185.13231	5.2
187.11166	1.6
187.14857	1.9
189.12744	0.7
191.08559	1.9
192.09282	4.3
193.10106	11.3
194.10924	4.3
195.11674	12.0
195.13405	0.9
196.12338	1.8
197.09560	0.6
197.13252	10.0
198.13930	0.7
199.11224	0.7
199.14781	3.4
201.12729	1.1
203.08458	0.9
203.14203	0.7
204.09283	1.6
205.10127	3.8
206.10854	7.5
207.11670	12.9
208.12445	3.6
209.09657	1.2
209.13237	14.9
210.13947	0.7
211.11162	1.2
211.14760	4.7
212.15543	0.7
213.12758	2.5
213.16324	1.1
215.14267	1.3
217.10069	2.0
218.10844	1.8
219.11684	10.1
220.12430	4.4
221.13234	16.1
222.14021	2.2
223.11099	1.3
223.14809	7.4
224.15387	0.9
225.12779	2.0
225.16296	2.5
227.14418	2.5
227.17908	1.1
230.30190	0.5
231.11665	3.1
232.12428	3.7
233.13268	7.7
234.14049	4.1
235.12605	0.9
235.14819	12.6
236.15488	1.5
237.12674	1.2
237.16356	4.8
238.16957	0.6
239.14305	1.9
239.17973	1.1
241.15894	2.0
245.13234	2.2
246.13971	3.3
247.14822	10.0
248.15520	2.0
249.16382	7.7
250.17039	1.4
251.14285	1.4
251.17955	3.8
252.18758	0.7
253.15869	1.6
253.19670	0.7
255.17342	0.9
259.14795	1.6
260.15659	1.3
261.16354	10.2
262.17105	5.1
263.17920	4.8
264.18646	1.6
265.15848	2.5
265.19379	2.9
266.16693	0.9
267.17401	2.7
273.16385	1.2
274.17041	0.9
274.40707	0.5
275.17905	7.7
276.18304	0.5
277.19482	27.7
278.04483	0.6
278.16910	0.5
278.19901	1.8
279.17426	9.5
279.20578	1.0
280.17834	1.1
287.17886	1.9
288.18692	0.7
289.19357	0.9
291.20929	2.5
292.18283	1.0
292.21814	1.9
293.18982	3.9
293.22598	2.2
302.20364	1.3
305.18951	0.9
307.20520	1.6
307.24170	4.5
317.18909	1.2
317.22620	16.9
318.23019	1.2
320.21228	1.1
321.06238	1.7
335.23657	100.0
336.08646	4.3
336.23996	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	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01867	3.5
55.05512	17.4
55.21981	2.2
57.03440	19.0
57.07070	5.7
65.03918	4.4
67.05505	90.5
69.07065	18.2
70.02733	2.0
71.04987	2.6
71.62695	2.4
79.05068	4.3
79.05496	53.4
81.03405	3.6
81.07054	100.0
83.04990	4.6
83.08598	8.4
85.06531	7.2
91.05473	30.1
93.07043	61.4
95.04955	6.9
95.08607	74.7
97.06507	5.3
97.10161	5.0
98.92048	2.4
105.04533	2.9
105.07021	35.7
107.08598	40.3
109.06501	4.2
109.10153	31.1
111.08086	3.4
115.05447	5.5
117.07002	10.1
119.08585	22.7
121.10148	34.5
123.08148	3.1
123.11732	14.0
128.06172	3.3
129.05507	6.9
129.06972	4.7
130.07806	4.0
131.08551	26.1
133.10112	18.6
135.08049	6.3
135.11708	18.9
135.38269	2.3
137.09612	2.5
137.13252	5.9
141.07024	4.0
142.07780	4.9
143.08537	9.4
145.06483	3.3
145.10115	29.2
147.11711	12.8
149.13269	10.8
153.07016	4.0
155.07295	2.2
155.08554	12.9
156.09311	4.3
157.10025	10.7
159.08041	9.1
159.11714	12.5
161.13242	7.2
163.14821	4.1
167.08578	8.0
168.09476	3.0
169.10194	12.0
171.11678	9.2
173.09642	9.4
173.13266	13.6
175.11157	3.6
175.14824	3.2
177.16325	4.5
181.10112	4.1
182.10883	10.5
183.11649	3.1
187.11153	2.2
187.14798	10.4
193.10060	2.8
195.11751	3.0
197.13272	28.1
206.10962	3.9
207.11742	5.0
209.13232	2.5
215.14330	45.1
215.17564	2.6
216.14725	3.0
219.11673	3.2
232.12617	2.4
233.15341	7.0
235.14618	2.8
243.21106	17.9
243.23264	2.5
249.16371	5.3
261.16275	2.7
261.22037	17.9
263.18069	2.9
275.16446	7.1
277.19577	4.8
321.06378	3.5
335.26190	90.2
336.08679	10.0
353.79636	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01862	2.3
55.05505	8.4
65.03922	3.4
67.05495	24.4
69.07062	11.3
69.63708	17.4
71.04983	4.5
73.51143	2.0
75.87600	2.1
79.05486	31.5
81.07050	43.6
83.04980	2.7
83.08591	3.1
85.06540	9.4
91.05471	51.8
93.07035	37.0
95.04971	21.2
95.08599	28.9
96.48429	2.4
97.06531	3.9
103.05477	3.6
105.07023	74.0
107.04964	3.7
107.08588	24.8
109.06511	8.2
109.10161	6.6
110.50501	2.0
111.08073	2.5
111.25131	2.2
115.05449	8.3
117.07009	28.4
119.08567	41.3
121.06512	11.6
121.10117	8.2
123.08080	6.5
128.06197	17.5
129.07001	27.6
130.07846	3.5
131.08560	54.3
133.06485	5.2
133.10115	21.2
135.08046	11.2
135.11688	10.3
141.06979	31.1
142.07780	14.8
143.08560	38.1
144.09227	3.9
145.06438	5.3
145.10115	42.5
147.08064	12.6
147.11671	8.7
149.09601	3.2
153.06982	13.8
154.07771	15.2
155.08549	80.1
156.09340	11.3
157.10101	28.2
159.08049	8.5
159.11661	23.2
161.13309	3.2
165.07059	3.8
166.07913	2.6
167.08559	21.8
168.09322	6.8
169.10106	49.5
171.11664	23.5
173.09634	14.4
173.13243	8.6
175.11334	2.7
179.08542	3.9
180.09305	2.9
181.10138	7.8
182.10912	19.5
183.11667	6.8
185.09581	3.6
185.13190	12.5
187.11168	7.6
187.14821	26.4
189.12746	2.2
192.09361	2.4
193.10159	6.1
194.10864	3.6
195.11633	10.1
197.13235	79.8
198.13524	2.4
199.11145	4.1
199.14850	2.9
205.10114	3.8
206.10957	2.9
207.11679	10.8
208.12463	2.3
209.13223	11.0
211.14755	3.0
215.14304	100.0
219.11751	5.7
221.13306	8.3
223.14801	4.0
233.13275	4.1
233.15378	8.4
235.14854	9.2
237.16335	3.8
247.14760	5.9
249.16344	4.7
257.15390	5.5
261.16498	7.7
262.17099	2.5
267.17267	2.3
275.16089	17.0
277.19482	17.2
279.17380	4.3
289.63528	2.1
291.21033	2.7
307.24298	3.8
317.22592	9.8
321.06223	6.6
335.10855	6.8
335.23621	65.0
336.08545	15.0
342.51187	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50937	0.8
55.05506	2.8
55.94846	0.8
57.03418	1.9
61.02918	1.0
67.05505	5.1
69.07059	2.1
71.04962	0.9
71.09000	1.2
71.09320	1.8
79.05485	5.4
81.07057	8.5
85.06533	1.2
85.68361	0.8
91.05478	6.1
93.07049	8.6
95.04968	1.7
95.08611	6.3
97.06542	1.0
99.12405	0.9
105.07016	13.0
107.08600	6.2
109.06512	1.4
109.10186	1.3
115.03921	12.1
117.07025	4.7
119.08588	8.6
121.06505	1.3
121.10148	4.6
123.08098	1.5
129.06976	2.1
131.08565	11.8
133.06488	1.0
133.10110	4.4
135.08046	2.5
135.11705	2.0
141.06999	1.8
141.83261	0.9
142.07762	2.1
143.08580	4.4
144.09341	1.2
145.10098	13.8
147.08086	1.1
147.11684	2.7
153.07022	1.2
155.08565	8.9
156.09319	2.1
157.10091	6.2
159.08037	7.0
159.11690	9.8
160.08774	1.2
161.09572	1.4
161.13266	9.8
163.11174	2.1
167.08569	3.6
168.09364	1.6
169.10129	4.3
171.08058	1.0
171.11703	4.1
173.09602	4.5
173.13271	1.9
177.12769	1.2
182.10936	5.3
186.42300	1.1
187.11118	1.3
187.14828	7.2
197.13249	16.1
200.11996	2.1
202.13542	1.1
202.32918	0.9
203.14281	8.0
205.15974	2.5
213.12541	1.2
215.14314	63.2
216.14601	1.8
222.05473	1.3
233.15356	40.0
234.15726	2.0
235.06332	1.2
240.40181	1.0
247.06326	1.1
250.04984	7.9
262.04959	1.2
263.05942	1.1
264.06680	1.7
265.07343	2.0
268.78870	0.9
275.16513	5.8
276.06540	2.5
278.04407	10.1
279.08847	1.4
292.06000	6.8
293.06812	3.2
294.03979	3.5
304.06119	2.9
306.03989	12.3
320.05505	4.5
321.06299	57.6
335.11426	1.0
335.14996	1.8
335.18561	9.6
335.25839	2.8
336.08649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36774	1.4
52.61242	1.7
53.74421	1.7
55.05499	5.5
67.05499	8.3
69.07056	4.5
71.62496	3.8
79.05493	19.2
79.05920	2.5
81.06589	2.4
81.07059	40.8
87.09325	1.8
88.17500	1.6
91.05474	19.8
93.07045	17.6
95.04968	4.8
95.08603	17.5
97.06522	4.0
105.06320	2.1
105.07034	36.6
107.08582	17.5
109.06499	5.1
109.10168	2.6
115.03924	4.6
115.05466	3.5
116.06246	1.6
116.98608	1.6
117.07001	13.3
119.08571	12.7
120.89751	1.5
121.06454	2.7
121.10155	8.7
123.08048	2.1
123.11718	1.7
127.45944	1.7
128.06212	4.7
129.07013	11.0
130.07753	2.2
131.08562	18.7
133.06549	2.2
133.10101	5.8
135.08032	8.6
141.06985	12.2
141.99402	1.6
142.07785	7.0
143.08575	11.4
145.10118	25.7
147.08035	1.9
147.11668	3.4
153.05624	1.5
153.06999	6.4
154.07747	5.8
155.08554	41.3
156.09338	10.9
157.10147	20.1
158.10878	2.2
159.08070	5.9
159.11684	21.2
161.13252	5.7
167.08569	27.3
168.09317	5.2
169.10124	23.2
171.11670	6.7
173.09631	6.5
173.13214	3.5
181.10127	4.1
182.10925	25.7
183.11613	2.1
185.13298	3.5
187.11237	1.8
187.14870	12.9
197.13258	100.0
204.28754	1.6
206.05962	1.8
209.00687	2.0
209.04453	4.1
215.14314	45.8
227.21710	1.8
233.15407	3.5
235.06244	13.5
237.03804	1.8
239.05695	2.3
247.06328	3.1
250.04927	2.1
257.15359	29.2
263.05609	7.8
264.06464	4.1
268.06018	3.5
275.05774	2.7
275.16345	3.1
278.04520	2.3
291.05209	7.1
292.06042	42.2
304.06088	4.7
320.05481	15.2
321.06296	37.7
335.07510	3.2
335.10971	9.9
335.18378	5.0
335.25552	2.8
336.08652	90.9
336.12637	4.6
349.43176	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56296	1.9
55.05501	4.1
55.23685	1.9
57.34104	2.0
71.23833	5.1
75.65932	2.0
79.05470	6.8
81.07041	16.3
84.63287	1.9
91.05474	12.4
93.07054	15.1
95.04944	3.6
95.08633	10.6
104.29908	2.3
105.07031	22.0
107.08562	9.3
109.06456	3.4
115.03918	3.0
117.07004	8.5
119.08569	8.5
121.10088	6.7
126.66982	2.2
128.06247	2.3
129.07018	6.9
130.07785	3.0
131.08592	19.7
133.10135	2.7
135.08043	4.6
139.03638	3.9
141.07004	5.3
142.07770	5.9
143.08525	10.5
145.10117	25.2
153.07034	3.9
155.08557	27.0
156.09326	4.1
157.10114	11.9
159.08051	7.7
159.11700	14.9
164.86755	2.4
167.08582	10.6
168.09375	3.8
169.10077	11.6
173.09650	9.9
173.13068	2.3
181.10162	3.9
182.10892	18.4
186.10352	2.8
187.14816	27.4
188.15115	2.6
197.13264	49.9
198.13550	2.4
215.14314	100.0
233.15297	5.3
235.06133	6.6
236.06622	5.8
257.15375	9.1
264.06281	3.2
275.16226	9.3
291.04834	15.0
292.06006	8.9
319.04407	4.1
320.05212	11.9
321.06284	15.5
335.07443	28.4
335.18268	77.5
336.08630	36.7
336.18652	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	335.1827
Annotation	Dihydroactinospectacin
Peak:m/z	Relative Intensity
55.58138	1.2
67.43237	1.3
69.99743	6.3
70.91585	1.1
74.17308	1.2
81.07012	1.5
98.21456	1.8
105.07043	2.7
107.08626	1.9
115.03918	1.4
119.08524	1.7
122.72113	1.2
131.08522	2.2
139.03642	5.1
145.10098	3.0
155.08525	2.6
159.11674	2.5
167.08498	1.3
169.10106	1.4
187.14722	1.5
197.13284	5.0
215.14328	11.5
219.13583	1.3
235.06337	3.9
263.05746	2.9
275.16190	7.7
291.05060	4.5
292.06046	8.3
304.06119	1.5
317.17078	2.1
319.66306	1.4
320.05469	5.5
321.06375	9.9
335.07520	6.8
335.18274	100.0
335.29465	2.7
336.08661	26.8
336.18613	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	335.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83498	2.0
70.07825	1.8
71.23721	4.1
71.24068	2.3
73.65878	2.0
75.33578	1.8
79.13858	1.8
81.07034	2.4
83.08612	1.8
85.19012	1.7
91.05466	4.6
94.65968	1.8
95.08632	1.8
105.07029	5.7
107.08577	3.9
114.63023	1.9
115.03905	2.7
117.07042	1.9
119.08537	2.7
121.10102	2.7
129.06987	3.5
131.08571	3.9
139.03661	5.0
142.07758	2.7
143.08348	2.1
145.10138	6.2
145.94875	1.8
155.08566	5.8
156.09290	1.8
157.10022	2.7
159.11716	5.8
161.13295	2.6
167.08609	4.0
169.10152	3.4
173.09738	1.8
182.10989	2.8
187.14723	3.2
197.13263	9.9
215.14319	21.2
235.06299	8.5
236.06599	4.4
257.15268	2.9
263.05841	7.9
264.06253	5.2
275.16098	7.7
279.04800	2.5
291.05005	11.3
292.06042	29.0
304.06042	5.0
320.05466	17.8
321.06296	30.3
335.07379	22.2
335.18265	97.8
335.29770	5.7
336.08646	100.0
336.18680	2.8
347.37820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01869	1.1
65.03941	3.7
67.05499	4.3
69.07063	100.0
69.51646	9.7
70.06579	1.3
79.05476	2.2
81.07053	5.4
83.13654	0.9
84.08084	1.2
86.09694	1.4
92.04980	4.6
93.07017	1.7
94.06554	3.8
95.04956	2.1
95.08611	2.1
96.08085	0.9
97.06530	17.2
103.77161	1.1
105.07047	1.4
107.08555	2.4
108.04437	1.9
116.39557	0.9
116.70883	1.1
117.07002	1.3
119.08551	2.2
120.04470	1.4
122.06010	8.5
124.07600	2.3
125.06040	2.3
131.08534	1.5
133.10141	1.8
134.06012	1.1
135.11638	2.1
137.05923	1.5
138.05513	4.9
140.07059	9.3
145.08905	2.0
145.10097	2.0
146.09618	1.0
147.06764	1.7
148.03938	2.1
150.05496	88.2
157.08855	2.4
159.11658	2.0
160.07549	1.0
160.11226	1.0
161.08295	3.1
162.09155	2.1
165.04280	1.5
166.04994	31.5
168.06572	1.5
170.09685	1.3
172.11188	3.4
173.08327	1.5
173.09720	1.2
174.12709	4.9
175.63072	1.3
176.03438	7.8
178.04977	1.5
182.09636	1.0
185.08376	1.3
186.07542	1.3
186.09042	1.3
188.10657	1.8
190.12245	5.0
194.04457	4.7
198.07735	1.5
200.10719	5.1
202.12245	5.2
213.10136	1.6
216.10150	4.2
218.11765	16.8
226.07274	1.1
228.10190	10.2
233.08386	1.1
234.11304	2.4
241.09659	1.5
243.11316	1.4
244.09348	1.4
245.12852	1.8
246.11240	13.8
253.09549	1.1
256.09598	1.6
261.02441	1.0
271.10782	5.4
272.09259	3.7
273.12314	2.4
274.10541	2.1
274.64972	1.1
287.10248	17.6
289.11850	5.6
290.10117	1.4
299.10358	4.9
300.08994	1.0
317.11301	17.7
335.12354	7.1
335.20630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78355	0.6
52.40428	0.7
53.03939	1.1
57.34272	0.6
63.54811	0.7
65.03942	3.4
67.05504	4.8
69.07063	100.0
69.28873	0.8
70.07405	0.8
71.37813	1.4
79.05505	1.7
80.05035	1.5
81.05788	0.6
81.07059	5.1
82.06571	0.7
91.05461	0.8
92.05005	3.6
93.07031	1.1
94.06567	4.8
95.04975	1.5
97.06528	16.5
105.07058	0.6
106.06602	0.7
107.08540	0.7
109.02879	0.8
109.06539	1.0
109.72819	0.7
119.08633	0.7
120.04443	0.7
122.06021	9.2
124.07621	2.1
125.06022	1.8
126.09206	0.6
128.92537	0.6
130.06517	1.1
131.07368	1.5
131.08585	0.6
132.04475	0.8
132.08099	0.8
137.06018	2.1
138.05495	6.8
140.07047	7.4
141.07793	0.7
143.08647	0.7
144.08101	2.3
145.08885	3.0
145.10071	1.1
146.09654	4.9
147.06760	1.4
148.03920	2.4
150.05498	78.3
151.05896	1.1
156.08214	0.7
157.08887	2.3
158.06007	0.9
158.09685	0.9
159.10468	1.2
160.07536	0.6
161.08347	3.3
162.09125	2.5
164.03442	1.2
165.04239	1.1
166.04990	31.9
168.06599	0.9
170.05995	1.2
172.07631	2.5
172.11130	4.7
173.08394	2.1
174.09161	1.1
174.12804	5.2
175.10074	0.7
176.03406	7.5
178.05057	2.0
182.04578	1.2
185.08398	1.5
186.05553	0.6
186.07661	1.5
186.09259	1.0
188.10811	2.2
190.08647	0.9
190.12227	5.1
194.04485	3.9
197.07202	0.8
198.07808	1.0
198.09387	1.5
199.06319	0.8
200.10730	7.4
202.12228	7.2
213.10278	0.9
216.06390	0.6
216.10268	4.1
218.08395	1.8
218.11749	28.6
219.12230	0.9
226.08667	0.8
228.10216	15.6
229.13440	1.0
230.11937	0.8
234.11313	2.3
241.09767	1.1
243.07700	0.8
243.11353	0.9
244.09833	2.1
245.13043	2.0
246.11243	22.3
247.11621	1.3
256.09796	1.6
257.09335	1.1
261.08777	1.1
262.10855	0.8
271.07813	0.9
271.10907	4.6
272.09155	4.3
273.12357	3.5
274.10696	3.0
287.10272	7.5
289.11813	12.3
290.10309	2.4
291.13589	0.8
299.10211	6.7
317.11322	24.5
335.12354	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	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.6
55.05497	5.5
56.05024	2.9
56.96292	2.6
56.96563	39.2
57.03418	4.9
60.95856	1.4
61.02908	3.9
62.40364	1.3
64.56996	1.4
64.66411	1.5
65.91808	1.4
67.05489	1.7
69.03419	14.8
70.06596	7.6
70.98114	4.0
71.04978	3.5
71.63984	3.6
72.08154	2.2
73.02908	5.7
73.06535	2.5
74.97601	3.8
75.69947	1.7
77.00889	3.1
78.71956	1.3
79.05497	2.8
81.03403	6.1
81.07038	1.7
81.65780	1.4
82.99855	2.0
83.06100	2.2
84.04507	3.7
84.08128	4.7
84.96033	5.4
85.02427	1.8
85.02906	18.2
86.03232	2.3
86.09695	3.4
87.04435	4.8
88.99162	2.5
90.59724	1.4
91.05486	4.9
94.99923	1.6
95.04969	2.5
97.02899	17.2
98.97578	42.7
99.04479	2.2
99.97903	2.2
101.00871	15.2
102.96962	1.8
103.02409	1.7
104.05329	2.4
105.00397	2.1
105.07059	1.9
107.00179	1.9
107.08604	1.7
108.08128	2.2
109.02888	4.0
109.08486	1.7
110.06054	1.8
110.97576	5.3
112.99141	1.6
113.00861	6.8
115.02430	5.3
116.98624	30.8
119.00154	2.2
119.01917	52.3
119.04944	3.7
120.04445	1.7
120.05253	3.1
120.08103	7.2
123.05562	8.5
124.18194	1.7
125.02374	2.4
127.02472	2.1
127.03904	5.7
128.98587	7.9
129.04028	1.9
129.10265	2.3
130.01732	1.6
130.06561	2.1
131.00209	3.8
131.01912	30.9
131.05573	9.9
133.01743	2.9
133.03510	8.1
134.99646	13.9
137.00836	1.8
137.02934	9.3
137.05981	11.4
138.06314	3.4
141.06569	1.5
142.01814	1.7
142.03506	1.7
143.00140	4.7
143.01901	59.5
144.98163	2.3
145.01691	1.7
145.03468	14.0
145.05002	2.4
146.05986	3.0
146.99646	11.6
147.03253	3.6
147.04424	8.4
148.04749	4.8
149.01218	2.9
149.02954	6.8
149.06610	16.6
150.54051	1.4
153.00676	2.2
155.01880	33.1
155.04611	2.7
155.54817	3.0
156.02675	3.8
157.03473	6.3
158.01320	2.2
158.99675	10.9
159.05035	5.2
161.01311	6.2
161.02954	100.0
162.03043	3.4
162.99156	4.9
163.02744	3.4
163.04138	3.3
164.05240	1.9
165.00716	6.2
167.02063	1.7
167.05592	2.0
168.07948	2.4
170.99686	1.9
171.05061	2.4
172.97565	2.8
173.01366	4.1
173.02951	38.2
173.06592	37.5
175.04552	3.8
175.99055	1.7
177.00745	16.8
177.06064	7.2
179.02292	2.9
179.03889	1.7
182.03314	1.9
184.04573	7.6
184.07556	3.1
185.02930	3.9
185.06586	43.6
187.02840	1.9
187.08113	10.5
189.00760	3.7
189.04250	3.2
190.98660	10.6
191.02232	4.8
191.05933	4.0
191.07663	19.5
192.03688	1.8
193.00267	1.9
195.01732	3.4
196.04587	2.2
197.06541	3.0
199.08261	4.4
199.54591	1.6
201.00671	3.7
202.08664	2.0
203.02248	3.1
203.03957	14.0
203.07628	25.4
205.00220	5.3
208.04904	2.0
208.55025	3.3
208.99738	2.0
209.06746	1.8
213.04263	1.6
215.05840	2.5
215.07669	13.9
217.09273	2.8
219.01781	9.3
221.05058	36.4
221.07033	3.0
223.01245	7.5
223.04826	2.4
226.09079	1.8
227.07158	2.7
227.56931	3.2
232.99718	5.8
233.08806	2.6
237.02829	16.6
240.06902	1.9
244.07732	3.5
244.57999	6.1
245.05035	3.9
247.01305	2.7
247.04922	2.8
257.08728	11.1
263.06177	3.2
265.02264	1.8
275.09784	62.2
276.10052	2.4
280.07071	2.7
280.57190	3.0
283.06949	2.2
291.07477	3.0
293.02017	2.8
293.10818	86.1
298.11276	1.7
309.08502	4.4
310.08887	2.6
316.12448	7.0
317.12991	2.3
325.60730	8.3
335.11926	81.8
336.12186	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01855	3.7
55.05508	12.1
55.92981	2.1
57.03428	8.3
57.07068	7.2
65.03931	2.2
67.05170	3.9
67.05505	42.6
69.07067	20.4
71.08637	13.7
71.62663	3.5
72.04517	73.2
79.05493	22.6
81.07053	40.2
83.04988	2.0
83.14658	2.3
85.06548	4.6
88.82481	1.9
91.05487	15.3
93.07046	29.6
95.04977	20.2
95.08607	38.7
97.06510	3.6
98.98496	2.4
99.08075	6.5
105.07036	14.1
107.08595	14.3
109.06513	22.7
109.10155	11.4
114.09167	17.5
117.07024	4.2
119.08584	8.8
121.06509	3.3
121.10146	8.3
128.10724	4.2
131.08575	7.9
133.10098	10.0
135.08061	3.7
135.11644	3.9
137.09610	2.8
142.12248	3.2
145.10126	4.6
147.11632	5.6
149.13297	5.8
156.13904	2.7
156.41391	2.3
165.12753	100.0
173.13249	8.4
175.11154	2.9
182.15475	12.7
184.13356	2.8
191.14275	9.4
201.12735	5.1
212.16521	7.3
220.16957	12.0
229.19502	3.0
236.20071	39.8
237.11180	2.2
271.20618	7.3
281.15366	2.5
289.21628	9.8
316.26382	5.3
322.86673	2.1
334.27438	45.3
335.25839	21.7
356.62173	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01849	2.8
55.05503	4.1
56.05021	2.2
56.96561	40.9
57.03424	2.7
60.81501	1.5
61.02909	5.5
61.07980	1.3
69.03429	14.6
69.88376	3.9
69.88792	5.0
70.06575	5.7
70.98114	3.4
71.04974	3.6
72.08142	2.9
73.02899	5.1
73.06532	3.7
75.04491	1.9
77.00882	1.9
81.03408	5.9
81.07024	2.0
82.99850	2.1
83.04967	3.7
84.04534	3.5
84.08139	5.7
84.96027	3.7
85.02902	22.7
86.03219	2.2
86.09679	1.8
87.04433	2.3
87.05592	1.6
88.99155	2.9
91.05470	4.4
93.07024	2.3
94.06520	1.7
95.04987	2.2
97.02890	16.8
98.03235	2.5
98.21428	1.6
98.97573	41.4
99.04422	2.8
100.99149	1.9
101.00869	15.4
104.05345	2.2
105.00396	2.3
108.08099	2.6
109.02867	3.7
109.08456	1.7
110.97565	5.7
111.08028	1.5
113.00866	4.3
115.02445	4.1
115.03927	2.9
116.98624	25.7
117.99003	1.6
119.01917	54.0
119.04933	5.3
120.01958	1.9
120.04440	3.8
120.05231	1.5
120.08083	6.0
123.05529	6.9
125.02351	1.6
127.03902	6.3
128.98616	9.6
129.04013	2.1
129.10188	1.6
130.06494	2.8
130.93347	1.5
131.00183	5.0
131.01891	36.4
131.05545	9.0
133.03459	13.7
134.99648	15.2
137.02921	7.2
137.05928	11.7
138.06310	4.2
143.00197	2.6
143.01894	65.6
143.03049	3.4
144.98099	1.9
145.01703	3.5
145.03490	13.3
145.04968	1.9
146.05997	2.7
146.99631	10.4
147.03265	3.8
147.04419	10.0
148.04785	6.0
149.01189	4.5
149.02953	4.3
149.06586	18.3
155.01884	34.4
155.04486	3.4
155.54814	2.3
156.02638	4.8
157.03493	7.1
158.99673	10.4
159.05052	6.2
161.02948	100.0
162.03046	2.9
162.99159	3.2
163.02721	2.9
163.04373	2.4
165.00716	8.2
165.04237	2.2
167.02130	1.9
167.05565	1.6
169.07307	1.6
170.99628	2.5
172.97586	2.8
173.01393	3.3
173.02943	46.2
173.06587	40.1
174.99158	2.8
175.04507	4.4
175.08122	1.8
177.00719	18.5
177.04297	2.1
177.06032	4.1
178.01057	2.7
179.02322	2.2
179.03972	1.9
179.07019	1.8
181.00168	2.4
183.01810	1.8
184.04567	9.4
184.07588	3.1
185.02965	4.8
185.06577	43.4
186.06758	2.0
187.02809	2.1
187.08142	8.1
189.00732	5.2
189.04417	4.7
190.98656	10.2
191.02301	3.7
191.04015	1.8
191.05940	3.2
191.07648	14.7
193.00258	3.3
195.01764	2.1
196.04634	2.7
197.06636	2.9
198.09177	1.7
199.08214	2.9
201.00690	3.5
201.06087	2.8
203.03963	11.0
203.07617	23.6
205.00177	4.2
205.03751	3.0
207.01883	3.7
208.54973	3.2
208.99684	2.6
209.06642	3.1
213.06250	1.9
215.05843	2.8
215.07623	15.1
217.55553	2.9
218.98233	1.8
219.01721	11.8
221.03040	1.7
221.05043	40.5
223.01192	9.5
227.07469	6.1
227.56987	2.8
232.99722	7.0
233.03285	3.9
233.08775	6.4
235.02785	1.7
235.04872	2.3
237.02866	15.2
238.03264	2.0
244.57938	12.9
245.06825	2.5
246.02849	1.7
247.01282	3.7
251.00713	2.9
255.03911	2.2
257.08676	11.3
263.06198	2.9
270.07556	2.8
271.04715	2.4
275.00769	3.3
275.09756	67.7
276.09970	3.0
280.57132	5.8
287.10355	1.8
288.92215	2.3
293.01740	3.8
293.10806	80.1
294.11133	2.6
298.11438	2.4
309.08569	5.4
316.12436	8.5
317.13071	3.0
325.60602	8.6
326.10629	4.1
335.11890	80.8
336.12216	3.8
350.77411	1.7
353.11679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0708
Annotation	N-Demethyloxysanguinarine
Peak:m/z	Relative Intensity
57.15529	0.3
70.06557	1.0
70.60351	1.5
74.05335	0.4
130.77861	0.4
132.10155	0.5
170.81320	0.4
207.06581	0.5
217.05142	0.5
221.04831	1.8
228.23245	0.5
229.47418	0.4
230.56171	0.4
234.05545	0.9
235.06276	27.5
236.06662	0.7
245.04726	2.2
261.04239	0.8
262.04935	0.6
263.05786	13.4
272.25830	1.5
273.04282	2.3
276.00287	0.6
276.02835	2.9
277.03714	1.3
278.01666	0.6
278.04507	9.4
282.47235	0.4
289.03720	1.1
290.04465	50.1
291.04764	1.4
302.04419	3.8
303.05112	0.8
304.02322	2.4
305.03186	6.4
316.02414	3.2
318.03958	14.1
319.04749	27.2
334.07092	100.0
334.29453	4.7
335.07394	4.1
347.39453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01864	1.5
56.05037	1.2
56.96575	0.9
57.03434	2.8
61.02918	3.2
68.26216	0.8
69.03431	6.9
70.06573	2.0
71.63080	1.5
74.06059	1.3
81.03409	4.1
81.07023	1.2
84.04456	0.9
85.02903	26.8
86.09697	1.2
87.04465	1.4
91.03958	2.1
91.05471	9.8
97.02889	10.0
98.98473	1.9
99.04436	1.5
103.64336	0.9
109.02878	3.2
109.06516	1.5
116.18559	0.8
119.04968	5.5
120.08094	1.5
122.87244	0.8
125.02316	1.1
127.03918	5.2
127.29713	0.7
130.06570	1.3
130.08623	1.2
132.08081	2.2
135.04414	0.8
137.05977	100.0
138.06316	2.8
144.08003	1.0
145.04967	9.7
151.07521	1.3
155.07024	7.6
159.09177	2.6
161.06009	1.2
162.05412	0.9
163.03874	2.4
165.44518	1.0
170.06099	1.1
172.09680	1.2
179.07069	1.2
180.08667	2.9
202.04997	1.1
203.07074	1.6
257.09189	0.9
317.11374	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	333.0602
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
55.01875	0.4
57.03418	0.5
58.06584	0.6
64.00220	0.4
65.67245	0.4
67.05512	0.4
69.03426	0.5
69.07043	0.3
69.40424	3.4
74.70494	0.3
79.05506	0.5
80.05919	0.3
81.07046	0.5
83.04947	0.4
85.64674	0.4
88.09492	0.3
91.05470	0.8
95.04951	1.4
95.08553	0.6
95.91655	0.4
97.06518	1.0
98.98469	1.4
100.14480	0.4
100.98898	0.4
105.07020	0.9
109.02853	2.0
109.10105	0.4
114.80135	0.3
115.71629	0.4
119.08626	0.5
119.83189	0.3
121.06451	0.5
123.04427	1.7
125.02340	1.2
129.06914	0.4
135.19690	0.4
137.02348	5.9
137.03384	0.5
137.06021	0.9
139.03902	0.4
149.02301	0.4
149.85977	0.4
151.03888	0.8
160.05229	0.5
161.02322	4.1
162.05357	0.5
167.07043	1.1
170.03571	0.5
171.04535	0.6
175.07504	0.5
179.03391	4.3
183.04405	0.6
184.05116	0.5
185.05969	1.5
187.03944	0.4
187.07585	0.5
188.04715	0.8
197.04391	0.7
198.03114	0.4
199.03905	0.9
200.04764	0.5
201.05476	0.4
203.07022	0.9
213.05463	1.0
215.07030	1.0
216.04149	0.8
226.02666	0.8
229.05000	0.8
231.06491	1.0
241.05008	3.2
243.06531	2.5
244.03685	9.7
245.03976	0.4
249.23886	0.4
254.01987	0.5
259.06073	2.1
261.07468	1.3
269.04428	3.1
271.05981	4.2
272.03201	0.5
273.03885	1.1
287.05493	100.0
288.05869	4.3
288.09497	0.7
289.07056	1.7
301.10587	0.6
315.04825	0.5
333.05829	0.8
333.11911	1.2
333.16901	0.5
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	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03935	0.5
55.01878	0.4
57.03432	1.2
57.03728	0.4
60.55255	0.3
61.02918	2.2
65.03926	0.8
67.05509	2.1
69.03423	6.2
70.02574	2.4
71.04985	0.5
73.02922	1.9
79.05493	1.1
81.03410	2.1
81.07059	0.8
85.02901	6.8
87.04452	1.4
91.03924	0.6
92.05006	0.4
93.05794	0.5
96.08121	0.9
97.02885	3.7
98.20811	0.6
99.04449	0.7
106.06539	5.2
108.08107	100.0
109.02863	0.6
109.08451	1.2
123.06799	3.7
124.06682	0.8
124.07584	13.4
125.02374	0.5
127.03923	1.3
134.06001	10.2
136.07564	14.6
137.08357	0.5
152.07054	71.0
153.07458	1.3
154.08600	1.6
170.08104	7.6
178.04993	0.9
179.74413	0.4
269.00595	0.4
314.12308	41.0
315.12616	1.0
332.13382	49.6
333.13708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
56.96575	0.7
57.03433	1.7
59.05001	0.5
61.02938	3.4
65.03929	1.1
67.05504	2.9
69.03426	8.6
69.71091	3.6
69.71487	0.8
69.98381	0.5
71.04978	0.5
73.02908	2.9
73.55920	0.5
77.19372	0.5
79.05498	1.7
81.03416	2.4
81.07088	0.6
85.02904	10.0
86.09689	1.0
87.04456	2.0
91.03928	1.1
93.05800	0.5
96.08125	1.3
97.02898	4.3
98.97556	0.8
99.04459	1.0
106.06558	3.9
108.08117	100.0
109.02885	1.5
109.08475	1.3
109.25024	0.4
115.03934	0.6
121.99360	0.6
122.65819	0.5
123.06813	4.1
124.07603	14.2
125.04504	0.6
127.03886	2.8
133.03496	0.9
134.06018	10.5
136.07587	12.8
145.04970	0.9
152.07069	67.0
153.07494	0.6
154.08635	2.0
158.89825	0.6
161.02986	0.5
161.05598	4.2
170.06175	3.0
170.08145	6.4
178.04837	0.6
219.07204	1.8
228.07558	1.8
231.07207	0.8
242.08072	1.5
245.05161	0.8
251.08498	0.7
283.06857	0.5
314.12341	41.4
321.10303	4.2
322.10416	0.8
332.13397	53.4
333.13632	1.2
333.99844	0.6
339.11078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
57.07068	2.8
67.05503	2.5
69.07042	1.4
71.08607	1.4
71.63472	1.6
79.05478	2.2
81.07030	2.9
85.06542	1.7
85.10155	1.0
93.07018	1.8
95.08575	3.3
98.98459	74.0
105.06953	1.5
116.99470	2.9
119.08533	1.7
121.10083	1.4
133.10167	1.6
137.05902	1.1
140.01030	2.2
143.08588	1.5
145.10123	7.2
151.07521	2.1
159.11601	1.5
169.10143	1.4
174.99182	3.1
175.03856	3.4
175.97722	1.2
176.98891	5.0
221.13344	1.1
223.14702	1.5
247.09616	1.8
331.22379	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.8
57.03437	5.9
57.07076	90.2
57.93393	1.9
64.13766	2.1
67.05509	25.9
69.07072	18.8
70.06591	5.9
70.23747	3.9
70.24162	7.3
70.32630	2.1
71.08633	55.3
73.45522	2.0
75.04484	2.4
79.05498	4.4
81.07059	30.3
83.08627	20.0
85.06557	2.7
85.10180	33.1
88.07608	5.2
95.08603	40.8
97.10184	11.0
98.98470	100.0
99.11716	3.0
100.98888	3.7
109.10159	22.2
111.11759	3.2
117.07014	2.5
121.06565	2.2
123.11694	9.8
125.13288	3.7
137.13258	4.3
174.99255	3.7
175.03978	4.6
176.98940	5.4
177.99161	2.2
188.84660	2.3
205.08545	2.9
221.11552	2.2
237.82913	2.1
239.23688	15.1
245.27855	2.5
257.24771	5.2
280.04547	2.4
313.27374	47.3
331.18774	2.2
331.34045	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23701	0.9
55.01867	4.1
60.04530	8.2
67.05494	1.3
69.63820	7.3
73.44858	0.8
79.05486	1.9
81.07047	1.9
91.05483	9.2
94.04161	0.9
94.06567	1.4
95.04976	1.9
98.98466	13.6
103.05478	2.0
105.07002	1.7
106.06547	2.1
107.04950	1.9
108.04473	4.3
109.06524	1.4
110.06036	1.4
115.05495	1.5
119.04955	4.6
120.04326	1.0
121.06467	2.1
122.03645	2.8
122.06023	3.3
128.06190	1.5
129.07002	5.0
131.04922	2.2
134.06001	2.5
135.08017	1.3
136.03989	2.2
136.05264	1.1
137.04987	1.9
137.05978	24.6
141.05444	2.2
145.06461	1.3
148.07550	1.9
149.05971	3.2
150.05470	1.9
151.07538	30.0
152.06140	1.6
157.06438	2.1
158.09599	1.3
161.05962	5.1
161.07143	1.5
162.05519	7.6
163.03891	0.9
163.06343	1.6
163.07536	5.6
164.07045	3.0
165.07022	2.7
165.09155	1.0
166.05066	1.4
167.07233	1.0
167.08531	5.0
168.06769	1.1
169.04976	1.0
172.11201	1.4
173.10771	1.7
174.06790	1.5
175.07565	1.3
176.07059	2.9
176.98950	1.3
177.07024	1.1
177.09045	1.1
181.06445	1.9
183.09203	1.7
185.08511	1.2
185.93483	1.0
187.08661	3.1
189.06595	6.6
189.09157	8.8
193.06407	1.1
193.10222	1.7
195.08020	6.6
197.06004	1.7
197.10757	1.7
198.09169	1.8
199.08722	1.2
200.09355	2.0
201.10205	6.3
202.07617	1.2
203.08212	3.8
207.10159	2.3
209.09703	1.1
210.06760	2.9
212.10699	1.6
213.10199	3.1
214.07373	1.7
215.08151	13.1
215.11555	4.6
221.05974	2.1
221.09669	1.7
223.07535	2.5
224.08189	1.1
225.05304	1.1
225.09036	1.9
226.08495	1.4
227.10509	6.2
228.08942	1.3
229.06224	1.5
229.09752	14.2
229.13310	2.0
237.09073	1.1
238.06306	2.3
239.07770	1.0
239.11789	3.3
241.09860	1.6
242.10568	1.2
243.07773	2.4
243.11302	6.6
247.14340	1.1
249.09111	1.4
252.09097	1.0
253.08250	1.7
253.12158	5.0
254.10461	1.1
255.10101	9.8
257.09238	9.3
257.12820	7.3
267.11411	4.5
271.10770	7.7
272.10620	1.4
275.13885	3.1
281.11685	1.3
285.12411	12.0
286.10580	1.1
287.12747	12.7
295.10840	3.4
303.13406	3.4
313.11618	18.7
331.12857	100.0
331.26620	4.0
332.13156	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.81803	2.0
55.05499	7.6
57.03419	6.6
57.07075	100.0
59.05611	1.8
67.05504	25.0
69.07070	17.5
70.06586	4.5
70.95033	3.9
71.08630	69.8
71.91846	1.8
75.04488	2.6
78.68726	1.8
81.07056	36.9
83.08614	26.4
85.10178	41.3
88.07614	4.3
89.06036	1.8
95.08602	53.2
97.10178	12.6
98.98470	30.0
99.11719	3.3
107.65888	1.6
109.10146	26.3
111.11694	4.4
123.11710	13.5
137.13255	8.2
139.14899	1.8
165.16367	2.2
221.22658	2.5
227.75258	2.2
239.23715	21.7
257.24808	5.5
281.99347	1.9
313.27368	64.7
313.32748	3.4
331.34018	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90134	1.1
53.03938	1.8
55.01863	2.8
60.04518	2.9
65.60638	1.4
67.05514	1.4
69.03415	1.8
69.30959	16.4
69.31310	1.4
73.33301	1.3
79.05479	6.4
81.03430	1.6
81.07076	2.1
83.04939	1.6
84.88464	1.2
88.17334	1.2
91.05476	31.3
92.35700	1.2
93.07045	1.4
93.57703	1.3
94.04179	5.7
95.04967	7.8
95.08607	2.3
98.98463	34.0
103.05444	6.5
105.07034	4.9
107.04958	7.2
107.75710	1.3
109.06478	4.1
111.04394	1.5
111.38026	1.2
113.05183	1.3
115.05476	3.2
117.07008	3.7
119.04934	20.6
119.08608	2.0
121.06477	7.7
122.03661	8.8
123.04337	1.9
123.08073	1.3
128.06232	5.6
129.06984	16.6
131.04941	6.5
131.08525	1.6
133.02730	1.8
133.06496	2.3
133.10167	1.7
135.08098	8.1
136.05162	5.4
137.05972	96.4
138.06335	2.4
143.04935	3.1
143.95181	1.4
145.06499	5.6
146.03635	2.0
146.07259	1.7
147.04353	1.4
149.05956	19.6
151.03908	4.4
151.07538	100.0
152.06235	5.0
153.06995	3.6
156.05582	1.7
157.06454	11.9
161.05959	12.5
161.09601	4.0
163.07549	20.8
165.06990	16.0
165.09128	6.2
166.07793	4.5
167.07199	1.5
167.08560	22.0
168.05713	1.6
169.06451	3.3
174.06767	6.8
174.99242	1.4
175.07555	4.9
176.98926	2.5
177.05478	4.1
177.06929	2.7
177.09143	2.3
178.07787	5.7
179.08586	1.9
181.05006	2.6
181.06505	6.7
181.10075	2.6
182.07234	3.9
183.08037	3.0
184.08778	1.6
187.07547	1.5
189.09100	36.7
192.10175	2.7
193.06546	8.6
193.10239	11.0
194.07259	2.8
195.08035	29.6
197.05975	5.3
197.09694	1.7
199.07556	2.1
203.08490	2.7
204.03946	1.5
205.06471	1.9
206.07266	2.4
207.08252	2.2
207.10185	5.0
209.06062	2.9
209.09604	4.3
210.06763	12.6
211.07515	7.0
212.08347	6.1
213.08952	2.5
221.06041	11.0
221.09518	9.4
223.07538	14.1
224.08327	4.3
225.05542	2.6
225.09052	12.1
227.07027	3.4
227.10648	33.0
234.06743	2.0
235.07433	2.2
237.05383	2.1
237.09087	4.8
238.06232	5.0
238.09906	2.6
239.06935	2.8
240.07709	4.5
241.08546	2.7
241.12259	2.5
243.10188	1.7
249.09024	7.8
252.07686	2.3
253.08577	16.8
253.12239	18.4
254.09340	2.0
255.06839	1.8
255.10147	31.9
255.29588	1.8
256.10623	2.1
257.07962	1.5
267.10135	6.4
269.08130	6.9
270.08823	4.3
272.10535	3.7
281.11795	7.2
282.12674	2.0
283.11923	2.0
284.10391	2.3
285.11212	18.7
287.12784	48.5
301.14426	2.0
313.14444	13.5
314.13760	2.0
316.09445	1.6
331.11847	12.5
331.15424	2.0
331.17453	2.7
331.26639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01860	3.4
55.05486	1.7
65.03931	3.6
67.05495	3.9
69.03425	4.1
69.07056	2.2
71.04972	2.7
71.65169	1.9
75.31539	1.4
79.05492	5.9
81.03442	1.7
81.07050	4.5
83.04950	3.7
84.08160	2.0
85.02902	5.5
85.06592	1.8
86.09693	2.3
91.04949	2.8
91.05476	34.1
93.07034	4.4
94.04181	3.3
95.04945	7.9
95.08600	1.7
97.02882	4.2
97.06539	1.9
98.98457	100.0
103.05457	3.7
105.07024	6.1
107.04958	6.5
107.08597	2.0
109.02839	2.8
109.06515	5.5
115.05489	2.4
116.97315	1.5
116.99491	2.2
117.07021	3.7
118.33168	1.5
119.04944	21.4
121.01353	1.5
121.06499	7.9
121.10181	1.8
122.03667	9.0
123.04416	1.4
127.03949	2.2
128.06194	5.1
129.07005	16.7
131.04916	7.3
131.08609	3.0
133.06520	2.8
135.04430	1.8
135.08049	5.2
136.05188	2.5
137.05966	89.9
138.06299	4.8
142.83263	1.5
143.04958	3.7
143.08559	1.9
144.05327	2.9
145.06471	4.9
146.03658	1.9
146.07275	2.1
147.04417	2.0
147.08073	1.6
148.05190	1.6
149.05975	15.8
150.06874	1.5
151.03951	9.6
151.07533	96.6
152.06229	4.9
152.07996	1.7
153.07010	5.2
157.06453	15.2
159.04561	1.8
159.08116	1.7
161.05959	15.5
161.09621	5.1
163.03929	3.9
163.07510	18.7
163.11095	2.2
165.06995	15.5
165.09142	4.3
166.07745	2.6
167.07149	2.4
167.08545	19.4
167.09882	2.5
168.05717	1.6
169.06499	3.5
174.06720	7.4
174.99211	3.5
175.03958	3.1
175.07529	6.3
176.07965	2.8
176.98895	7.0
177.05508	1.5
177.06940	2.7
177.09172	3.6
178.07733	7.0
179.07007	3.9
179.08478	2.3
181.06487	7.4
181.10130	2.8
182.07268	6.1
183.08064	3.5
184.08873	2.0
189.09093	34.9
189.10712	2.7
191.08524	2.1
192.10223	4.5
193.06534	5.2
193.10393	16.5
194.07213	5.1
195.08034	28.1
196.05264	1.6
196.08589	2.1
197.05917	8.0
197.09595	2.4
199.07515	2.3
200.84004	1.7
202.07808	2.0
203.08617	2.1
205.06480	2.3
206.07182	2.4
207.04628	1.7
207.06544	6.9
207.08296	2.9
207.10193	4.2
209.05942	1.9
209.09569	3.3
210.06779	10.2
211.07541	5.9
212.08334	4.6
213.05495	2.3
213.09021	2.8
214.06398	1.8
220.08830	2.9
221.05991	11.1
221.09526	10.8
223.07501	12.0
224.08316	5.3
225.05482	3.3
225.09029	11.8
226.06186	1.6
227.07040	3.9
227.10637	35.0
231.07840	1.7
234.06622	2.4
237.09163	3.2
238.06238	5.6
238.09947	2.4
239.10657	1.8
240.07690	3.5
241.08615	4.8
243.11243	1.5
249.09167	4.9
252.07767	3.4
253.08510	14.6
253.12151	15.6
255.06317	2.5
255.07208	2.3
255.10152	32.1
256.10587	1.9
267.10266	6.2
269.08148	6.8
269.11652	4.4
270.08936	2.6
271.09723	2.1
272.10513	3.4
281.11871	3.4
282.11591	1.8
285.07974	2.7
285.11121	24.7
287.12759	40.4
301.14487	2.0
313.11255	2.7
313.14371	11.0
331.11902	22.8
331.17145	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
59.38188	1.3
60.04518	7.9
65.03930	2.5
67.05511	2.3
69.03410	1.7
69.33191	1.5
69.50393	5.6
69.50819	5.9
79.05504	3.4
81.07056	2.6
91.05479	35.9
91.49176	1.4
91.75878	1.4
93.07036	1.5
94.04171	4.8
95.04951	7.5
95.08604	1.6
98.21478	3.0
98.98467	35.7
103.05448	5.6
105.07014	4.3
107.04951	6.5
109.06513	5.5
111.04485	1.7
115.05438	2.7
117.07044	2.5
118.77374	1.1
119.04945	21.2
119.08464	1.5
121.06500	8.6
122.03658	7.7
123.04451	1.4
123.08067	2.3
128.06213	6.0
129.07005	18.1
131.04936	5.1
131.08612	1.8
133.02794	1.4
133.06477	3.2
135.08090	6.8
136.05156	4.4
137.05971	90.1
139.07576	1.4
141.05412	1.3
143.04958	2.5
145.06468	3.8
146.07333	2.6
147.08073	1.5
148.05188	2.5
149.05966	16.7
151.03923	12.2
151.07538	100.0
152.06204	4.7
153.07004	2.7
154.07739	1.9
157.06476	14.0
158.07262	1.7
160.05247	1.7
161.05988	18.0
161.09595	4.9
163.03899	1.5
163.07539	23.8
165.06979	16.0
165.09138	5.9
166.07780	2.5
167.07137	1.4
167.08549	19.9
168.05573	1.3
169.06458	3.0
171.08075	2.3
174.06802	5.4
175.04089	2.1
175.07507	7.8
176.98988	2.2
177.05461	1.8
177.06987	3.8
177.09097	2.1
178.07738	8.5
179.08598	2.4
181.06459	7.0
181.10146	2.3
182.07256	5.4
183.07994	5.1
189.09105	35.4
189.10715	2.6
192.09953	1.3
193.06465	5.8
193.10143	11.0
194.07329	3.8
195.08038	32.1
196.08778	3.0
197.05940	6.9
197.09645	2.1
199.07607	2.2
203.08606	3.9
205.06499	1.4
207.08110	2.4
207.10156	4.8
208.79924	1.4
209.05968	3.0
209.09557	3.0
210.06761	11.8
211.07550	5.1
212.08325	4.3
213.05368	1.5
213.09058	2.2
219.08127	1.9
220.08754	3.2
221.06007	10.5
221.09555	15.7
223.07504	14.3
224.08231	6.8
225.09097	12.9
226.06302	1.8
227.07025	4.5
227.10651	30.7
237.09055	3.9
238.06204	6.4
238.09769	3.6
239.07031	3.3
239.10747	1.9
240.07837	5.1
241.08577	4.2
241.12151	1.4
248.08049	1.7
249.09105	7.4
252.07834	2.9
253.08621	16.2
253.12219	16.7
254.09270	1.5
255.06512	3.1
255.10152	31.5
257.08151	2.3
266.09402	1.8
267.10229	5.4
269.08066	6.1
269.11679	3.0
270.08838	2.8
272.10458	5.6
281.11667	5.9
285.11200	23.7
287.12787	47.2
299.12579	1.6
313.14389	11.5
331.08405	1.8
331.11755	10.1
331.15384	4.3
331.26688	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	331.1538
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
56.47636	1.5
64.14368	1.7
64.22117	2.0
71.63621	3.0
79.05482	3.5
79.81070	1.9
81.07071	3.4
82.19231	1.7
87.07780	2.0
91.04955	3.4
91.05480	29.7
95.04966	5.4
97.06549	2.7
98.98466	26.6
103.05481	3.3
105.07030	3.4
106.10524	1.6
107.04961	7.6
108.59115	1.9
109.06519	4.9
110.72449	1.6
111.04482	1.8
113.19595	1.8
116.99490	1.6
117.07044	2.4
119.04935	18.5
121.06505	5.9
122.03649	6.4
128.06236	4.6
129.07021	13.6
131.04977	3.9
131.08534	2.0
133.02829	1.9
133.06483	3.4
135.08070	6.5
136.05209	4.2
137.05978	79.0
145.06505	2.9
145.50717	1.7
147.04440	1.9
149.05989	13.4
150.06741	2.1
151.03896	2.6
151.07542	100.0
152.06200	4.1
152.07939	2.8
157.06511	11.4
161.05972	17.1
161.09607	3.2
163.07529	20.2
165.06993	13.5
165.09193	2.7
166.07794	3.4
167.08543	10.9
174.06769	8.9
175.07553	3.7
177.07001	2.2
177.09070	3.3
178.07784	6.3
181.06497	6.4
182.07242	5.6
183.07919	1.7
189.09105	34.8
193.06490	7.5
193.10129	10.3
194.07274	2.8
195.08061	23.8
196.05344	1.8
196.08740	2.8
197.05972	6.9
199.07478	3.2
202.07887	1.7
203.08646	2.3
207.10170	7.3
209.05710	8.1
209.09598	3.1
210.06740	11.5
211.07512	5.4
212.08276	3.4
221.06017	11.2
221.09537	12.2
223.07458	13.6
224.08351	6.5
225.05531	2.1
225.09094	10.5
227.07114	4.7
227.10664	26.9
238.06296	5.6
238.09877	3.1
239.07050	3.5
240.07845	5.0
249.09154	6.2
252.07883	2.6
253.08524	14.0
253.12263	17.3
255.06329	3.9
255.10139	27.0
256.10776	2.1
267.10223	5.6
269.08151	3.8
269.11609	2.1
270.08606	6.3
271.09735	4.0
272.10458	4.3
281.11728	5.5
285.11182	17.9
287.12817	41.0
299.08997	2.0
299.12579	1.9
313.14365	11.3
313.17480	2.4
316.08926	13.3
331.11560	21.0
331.15408	5.2
332.41910	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	331.1387
Annotation	(1'R,2'S)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03947	2.8
55.01864	2.5
55.05510	2.1
55.55260	0.7
57.03416	1.2
61.02942	0.8
61.70180	0.7
67.01855	0.9
67.05512	4.2
69.03432	77.4
69.07072	1.6
70.06589	3.8
70.59887	0.9
70.97845	0.8
71.01357	0.9
71.01889	2.6
71.04985	3.2
72.08158	1.0
73.47642	0.9
78.80056	0.9
79.05492	2.8
81.03419	17.1
81.03867	1.5
81.07060	6.6
83.04978	1.9
83.08604	0.9
84.04495	1.4
84.08163	1.8
85.02906	10.0
85.06525	0.9
86.09693	4.5
88.27479	0.8
91.05473	1.8
93.07052	2.0
95.04957	1.4
95.08614	16.9
97.02896	6.3
97.06522	2.1
98.98468	100.0
99.04478	4.3
99.08111	1.5
100.98881	2.4
105.07015	3.3
107.08600	1.3
109.02872	15.8
109.06511	2.3
112.08763	0.8
116.07113	1.2
116.99524	4.2
121.06446	0.9
123.08067	27.6
123.08963	1.3
125.05999	21.1
127.03911	20.2
129.10291	0.9
133.06500	2.2
137.05983	2.0
140.55713	0.8
141.09113	5.4
143.00160	1.0
145.04958	1.8
151.07550	51.1
151.11177	3.3
152.93164	0.8
161.06003	1.0
163.03929	2.0
169.08609	59.7
170.11752	1.3
174.99214	3.8
175.03903	2.9
176.98915	7.8
179.06979	1.1
181.04953	1.0
181.06448	1.1
187.06111	0.8
187.09636	9.6
221.06139	0.8
241.10730	1.4
246.19235	0.9
247.09772	1.6
252.99681	1.0
254.99501	1.3
298.04404	0.9
313.12970	2.0
331.13806	3.6
331.19696	1.7
332.14365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1697
Annotation	Dehassiline
Peak:m/z	Relative Intensity
53.52300	0.5
70.31271	2.3
71.89768	0.5
91.05466	1.2
96.65944	0.4
115.05447	4.2
119.04905	1.1
122.03641	1.3
123.12228	0.5
137.05975	33.3
143.04915	17.1
145.06508	0.8
149.05937	0.6
151.07542	4.0
160.05191	2.2
160.07524	0.7
165.59543	0.6
167.08514	0.5
175.07549	13.2
177.07861	10.7
178.08664	0.8
179.08540	1.4
192.10185	100.0
195.08044	1.1
205.30711	0.5
206.68057	0.5
207.08003	2.8
223.07417	0.7
224.08388	0.6
227.10719	1.1
235.07491	1.0
239.10588	2.0
255.10359	0.8
267.10114	2.9
299.12796	6.0
330.16989	45.6
331.17401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1287
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01862	2.5
60.04530	3.8
67.05522	0.7
70.36169	2.5
71.04971	0.7
75.94141	0.5
79.05463	1.2
81.07034	0.7
91.05480	5.2
93.07027	0.7
94.06557	2.2
95.04941	1.6
98.98457	6.9
103.05491	0.8
105.06998	1.1
106.06573	1.2
107.04950	1.7
108.04487	3.9
119.04932	3.6
120.08121	0.9
121.06518	1.1
122.03645	1.0
122.06036	2.5
128.06195	1.0
129.07025	3.4
131.04924	1.3
134.06009	2.5
135.08025	1.2
135.58490	0.6
136.03967	1.4
136.05049	0.7
137.05009	1.1
137.05975	14.4
138.05551	0.9
144.08054	0.7
148.07571	1.8
149.05963	2.7
150.05502	0.9
151.07538	20.7
152.06172	0.6
156.08110	1.1
157.06502	2.3
158.09647	1.1
159.04510	0.7
161.05934	2.1
161.07127	1.4
162.05498	6.5
163.06343	1.1
163.07532	4.3
164.07045	2.1
165.06976	2.9
165.09087	1.3
167.08525	3.4
168.06659	0.9
170.08318	1.1
170.09677	1.5
172.11330	0.9
173.10718	1.1
175.04080	0.8
175.07545	0.9
176.07071	2.1
177.42256	0.6
178.07721	1.0
181.06496	1.1
182.07237	0.8
183.09175	1.4
184.07547	0.9
184.11244	1.6
186.07886	1.3
187.08665	2.9
187.12300	1.2
189.06580	7.8
189.09094	5.9
193.06393	1.4
193.10193	2.4
195.08023	4.1
197.10942	0.7
198.09244	0.9
199.08722	1.3
200.09302	1.3
201.10205	5.0
203.08243	3.1
209.06006	0.9
210.06767	1.7
211.08711	1.7
211.12218	0.9
212.10745	0.8
213.10216	2.2
214.07271	1.2
215.08202	12.0
215.11700	4.4
221.06084	0.9
221.09644	2.1
223.07539	1.3
225.08971	1.4
227.08389	1.0
227.10547	6.4
229.06123	0.8
229.09715	9.0
229.13437	1.9
238.06136	0.7
239.08235	0.7
239.11931	2.9
240.10175	1.3
241.09750	2.3
243.07639	1.8
243.11317	5.7
247.14264	0.8
251.08078	0.7
253.09666	1.5
253.12277	2.7
255.10072	6.3
257.09277	8.0
257.12799	6.6
259.10828	0.9
261.12335	0.9
267.11398	4.2
269.08542	1.0
271.10742	6.1
275.13889	3.1
281.11710	2.0
285.12296	10.4
287.12759	8.3
295.10846	3.4
303.13373	3.4
313.11688	17.6
331.12872	100.0
331.26605	2.1
332.13202	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	330.1095
Annotation	Fluridone
Peak:m/z	Relative Intensity
55.15638	0.2
57.03424	0.4
69.07034	0.4
69.78427	1.7
70.07375	0.2
79.05507	0.4
97.06527	4.6
98.06866	1.7
98.98455	2.7
102.93393	0.3
114.04667	0.2
115.31296	0.2
121.61787	0.3
126.04705	0.3
129.07007	0.3
137.05942	0.3
141.06995	0.3
147.04308	0.2
149.44318	0.2
152.05095	0.3
152.06194	2.5
154.04112	0.5
155.75122	0.2
157.06505	0.4
159.08078	0.3
168.05693	0.4
170.03593	0.4
180.05702	3.9
181.06456	1.1
182.07191	0.4
183.04366	0.3
184.05177	0.6
186.09908	0.2
192.10251	0.4
194.03601	2.8
195.04242	0.4
196.05223	0.8
197.05983	0.9
198.06749	1.0
198.09825	0.2
207.04141	0.2
208.05180	62.1
209.05560	2.8
211.03891	2.9
212.04604	1.0
212.11436	0.4
213.05435	0.5
214.09421	0.4
215.10593	0.8
216.10986	1.8
222.03128	2.4
224.04646	1.8
225.05470	2.7
226.06207	3.0
227.06990	1.7
228.04073	0.3
229.04944	1.3
230.12714	0.4
234.12082	0.4
236.04683	12.8
237.05173	0.7
238.06259	0.3
239.03357	0.7
239.07063	1.0
240.04143	8.6
241.04779	1.0
241.08548	2.3
242.05872	0.3
243.06551	0.7
244.07251	0.7
250.02751	0.4
253.04927	1.2
254.05728	15.5
255.06369	1.9
257.04440	6.9
257.07617	0.4
264.04163	2.1
267.06464	1.3
268.03665	4.9
268.14059	0.5
269.08063	37.9
270.08429	1.7
271.06009	3.1
271.09595	0.8
272.06760	7.4
273.07431	0.8
282.05225	6.7
283.05756	1.0
285.07565	0.5
286.04669	1.4
286.08344	0.7
286.15115	0.9
287.09125	5.2
288.09488	0.4
297.07498	1.4
299.05441	0.7
299.09070	0.5
300.06259	4.7
300.09415	0.5
301.07004	3.5
312.16696	1.4
314.07858	0.7
315.08591	100.0
316.08972	4.7
317.39166	0.3
330.10944	95.8
331.11356	5.3
335.60428	0.2
335.65106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	Triptoquinone A
Peak:m/z	Relative Intensity
53.03934	2.8
55.01863	5.8
55.05499	4.1
57.03441	13.2
67.05495	5.7
69.07066	18.9
70.11118	4.3
70.11509	4.2
70.78506	1.5
72.62410	1.5
79.05489	20.6
80.35414	1.8
81.03390	2.3
81.07034	13.3
83.04974	6.1
91.05463	5.1
95.04951	5.0
97.06517	28.0
98.20782	2.4
98.98460	31.0
101.51914	2.0
105.07027	2.4
107.04958	3.0
115.05454	5.0
117.07008	6.8
119.04973	2.6
128.06204	5.4
129.07004	12.6
131.04889	3.6
131.08553	5.3
133.06454	3.4
137.05968	8.4
141.06982	7.1
143.08521	8.0
144.05667	1.8
145.06459	10.7
145.10104	3.2
147.08031	2.3
149.05968	4.4
153.07005	2.7
154.07758	4.7
155.08514	5.0
157.06496	9.2
157.10089	9.5
158.07278	5.0
159.08075	8.5
159.11687	3.0
160.05232	2.0
161.05933	8.2
163.07474	2.3
165.05550	2.2
165.06973	2.4
167.08545	4.0
168.05775	2.2
169.06477	5.2
169.10124	12.4
171.08017	10.0
173.05956	8.8
173.09662	7.0
174.06754	3.0
174.99196	2.3
175.07535	6.5
176.08311	2.8
177.09085	5.5
179.08566	3.6
182.07240	2.4
183.08058	2.4
184.05296	1.9
185.06010	8.9
185.09599	17.5
186.06773	4.9
187.07559	10.8
187.11232	3.8
189.09073	7.9
195.08015	3.3
195.11597	1.7
197.05984	3.3
197.09605	13.5
199.07541	9.6
199.11168	3.2
201.09038	18.2
203.07016	12.7
203.10661	3.9
205.08495	3.7
211.11162	3.6
213.09088	21.6
214.09865	23.1
215.07132	4.9
215.10657	84.0
216.11159	2.2
217.08516	3.8
221.09624	1.9
225.09085	4.6
227.10718	4.9
229.08618	6.1
229.12160	2.4
231.10118	10.5
232.10919	22.5
233.11671	14.6
235.11139	2.5
239.10605	6.6
241.12311	2.5
243.10156	5.7
251.10641	1.9
253.12169	2.0
255.13809	5.3
257.11719	3.5
259.09866	2.3
259.13260	5.7
261.11295	7.7
267.13815	7.0
269.11746	3.3
283.16931	3.8
285.14703	3.0
287.09848	3.3
287.12738	28.4
293.15323	7.6
301.17950	2.1
311.16376	26.8
329.17456	100.0
330.17783	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	329.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	1.3
57.59823	0.8
62.71707	0.9
66.77691	0.8
69.07068	1.0
71.25179	2.1
72.06264	0.8
79.05497	1.0
80.33991	0.9
93.07036	1.1
97.06506	6.0
98.98463	100.0
116.98709	1.1
116.99480	3.5
137.05913	1.0
159.03531	0.9
169.10204	1.0
174.99219	5.9
176.98930	3.0
178.17259	1.0
197.09612	1.0
215.10617	1.9
233.11650	2.0
252.99649	0.9
287.09882	1.0
287.12817	1.6
305.10434	1.4
329.11377	8.2
329.17465	5.5
330.11523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39853	2.9
62.16128	2.4
66.33408	3.0
69.31342	26.0
69.31751	11.6
82.16745	3.0
89.24862	2.5
97.06493	6.7
98.98460	19.9
100.14394	2.7
143.08583	3.7
225.12523	14.9
233.49336	3.1
269.11481	68.5
270.12061	3.3
278.95032	3.0
329.13593	100.0
329.21527	4.8
330.13992	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	329.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
67.05505	1.6
69.07054	6.0
79.05497	5.1
91.05489	1.7
92.50656	1.7
95.04979	2.1
97.06528	46.7
98.98465	43.7
117.07059	2.1
128.06223	2.2
129.06990	1.6
131.08603	3.4
137.05960	2.1
143.08586	8.7
145.06546	2.3
154.07840	1.8
157.06425	1.7
167.14427	1.6
169.07997	1.9
169.10168	2.5
171.08043	4.0
173.09665	1.6
174.99236	2.9
175.07454	1.6
185.09724	2.2
187.07457	1.9
187.11284	1.9
189.09041	1.7
197.09659	4.4
199.11241	2.2
201.09134	4.2
201.12755	2.3
203.10657	1.5
211.11127	2.9
213.09210	2.2
215.10637	12.9
225.12535	16.2
229.12230	4.0
232.11064	2.0
233.11702	6.1
248.33852	1.5
269.11496	47.3
270.11917	2.6
285.14789	3.2
287.12619	1.6
311.16547	6.8
327.42496	1.6
329.13669	100.0
329.17520	19.6
330.14005	6.7
347.14517	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	328.154
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73708	0.5
61.02169	0.4
64.88327	0.4
65.82069	0.4
67.53941	0.4
70.60494	1.1
70.60886	1.0
82.21114	0.5
95.67037	0.4
98.98452	3.2
105.91511	0.4
114.85695	0.4
125.71794	0.5
128.67004	0.4
163.80484	0.5
165.06970	1.0
178.07733	0.8
179.08524	1.0
181.06500	0.9
182.07251	0.6
190.07701	0.9
191.08560	1.5
192.05643	0.5
193.06476	1.7
194.07329	0.8
195.08080	1.6
205.06554	2.3
206.07228	1.0
207.08078	2.0
208.08900	2.7
210.06770	4.6
217.06429	0.6
218.07327	1.1
219.08038	2.9
220.08830	1.5
221.05951	6.8
221.09628	0.9
222.06699	1.5
223.07553	1.3
223.11171	0.7
224.08321	0.6
225.09062	0.9
231.07890	0.5
233.05994	2.8
234.06754	1.4
235.07533	7.6
236.08322	4.4
237.09105	2.6
238.06163	1.2
238.26054	0.4
239.10681	1.8
246.06865	1.0
247.07509	4.3
248.08298	6.5
249.05463	15.5
249.09119	2.9
250.06108	1.7
251.07010	1.8
251.10693	3.6
253.08568	3.4
261.09094	0.8
263.07028	9.4
264.07788	7.9
264.10242	0.5
265.08554	4.4
266.05679	1.1
267.10172	1.6
278.09387	2.1
279.10162	13.2
280.10919	5.7
281.08075	23.6
282.08423	0.8
295.09769	1.0
296.10403	43.4
297.10733	1.1
311.12753	100.0
312.13086	2.7
328.15396	13.7
328.19324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98581	0.5
58.06594	2.9
60.04506	1.3
70.92497	0.8
70.92834	1.1
75.04467	0.8
82.02891	0.9
97.05257	1.7
98.98463	20.6
116.99480	0.5
126.05496	1.2
130.41946	0.5
137.05956	0.6
141.07008	0.7
152.06207	0.7
153.06946	3.1
165.06984	11.9
166.07756	1.8
167.08522	1.3
168.05745	0.8
168.09148	0.6
174.99152	1.3
176.99124	0.5
177.07001	1.5
177.54169	0.5
178.07738	5.0
179.08553	10.4
181.06528	4.4
181.10080	0.9
189.06918	0.6
191.08571	1.1
192.05707	1.4
193.06493	13.9
193.08344	1.0
193.73254	0.6
194.07220	3.8
194.09570	1.2
195.08054	2.2
196.05101	0.7
196.08885	0.9
196.23505	0.5
204.08058	3.1
205.06625	1.1
205.08813	1.7
206.07207	1.4
206.09505	0.6
207.08107	3.2
208.08833	54.5
209.06001	16.7
209.09523	11.2
210.09128	9.9
211.07541	0.6
218.09642	0.7
219.08066	1.0
220.07408	2.4
221.08334	1.8
222.09117	4.0
223.07497	2.9
224.08316	17.5
224.10468	0.9
225.09157	1.1
232.07584	2.1
233.08165	0.7
235.07556	2.3
236.08241	1.6
236.10686	4.4
237.09087	2.9
237.11491	3.9
238.08546	3.4
238.12122	1.4
239.10657	100.0
240.11038	4.0
245.09323	0.5
246.09155	2.2
247.07611	0.7
249.07848	2.2
250.08696	1.5
251.07036	2.6
251.09200	0.6
252.07809	0.8
252.10225	1.1
253.08556	1.1
253.10953	6.2
263.52130	0.6
264.10190	5.1
265.08582	6.6
265.10999	2.3
266.11694	1.4
267.10159	39.4
268.10654	1.8
268.13309	32.7
269.13693	1.2
279.10046	2.2
280.10938	5.5
281.08060	2.7
283.09738	0.7
296.12912	27.3
297.13602	0.8
311.12805	5.7
328.12009	0.9
328.15408	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	328.1543
Annotation	(-)-Boldine
Peak:m/z	Relative Intensity
56.05025	1.1
58.06601	27.1
63.38629	0.4
69.87116	2.6
73.06557	0.7
96.07024	0.4
98.98461	3.6
118.52274	0.4
128.03743	0.4
137.05998	0.6
151.07509	0.5
161.06041	0.6
162.09158	2.5
165.07011	2.1
166.07776	0.7
167.08615	0.5
168.05664	0.6
174.09164	0.5
177.06754	0.6
177.07909	1.4
181.06522	1.2
182.07265	1.0
183.08069	2.1
184.51598	0.5
185.05809	0.6
190.08702	2.5
191.09460	6.0
192.10194	21.8
193.06348	0.5
194.07283	1.2
195.08009	1.1
196.05196	1.0
197.05998	0.7
197.09599	0.7
198.06671	0.6
200.08316	1.4
205.06511	9.3
206.07040	0.7
207.08063	0.8
209.09491	0.9
210.06821	1.1
211.07535	9.2
212.08337	2.9
213.09090	1.9
215.10631	1.1
221.06041	1.2
222.06728	3.7
223.07494	1.7
224.08086	0.4
225.09126	1.9
225.11180	0.5
226.09785	1.0
227.06987	2.6
227.10555	0.7
228.07779	2.6
229.08440	0.4
233.05930	4.4
234.06755	1.8
235.07416	0.4
236.08238	0.5
237.09105	14.1
238.09605	0.7
239.07034	6.9
240.07677	1.3
241.08354	0.5
242.09319	0.6
242.11684	0.5
243.10164	7.0
250.06335	2.4
251.07057	3.8
253.08635	1.6
253.10941	0.6
254.09369	3.0
255.06599	2.1
255.09711	0.5
256.07315	0.9
257.11722	0.5
265.08603	13.4
266.09317	5.5
267.06573	2.1
267.09683	0.5
268.07071	0.5
268.13351	0.8
269.08069	0.5
269.11804	0.9
270.08823	3.9
271.09680	7.3
282.08804	6.3
283.09546	0.8
285.11169	7.4
297.11200	5.3
328.15430	100.0
329.15729	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	327.2318
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.01860	0.8
55.05495	1.9
57.03421	1.3
57.07076	3.3
57.77331	0.6
67.05506	3.2
69.03429	1.1
69.07059	2.6
70.37150	2.8
71.04978	1.6
71.08632	2.6
73.06569	0.8
79.05489	2.7
81.07043	3.9
81.80424	0.5
83.04992	0.6
83.08600	1.1
85.10178	1.0
89.06013	2.0
91.05465	3.7
93.07045	7.0
95.04968	5.2
95.08609	8.0
97.06528	1.2
98.98463	100.0
103.05486	0.7
105.07036	7.8
107.08604	5.2
109.06503	1.8
109.10149	2.4
116.99507	3.8
117.07007	2.1
119.08584	3.3
121.06490	1.4
121.10139	1.9
123.08046	1.5
128.06250	0.7
130.07819	1.3
131.08524	0.9
133.08603	0.8
133.10152	1.5
135.08052	3.9
135.11705	1.9
137.06010	1.3
140.01077	2.5
141.06992	0.6
143.08563	1.8
145.10124	6.5
147.11734	0.8
149.09674	0.9
155.08563	0.7
157.10190	1.0
159.11678	1.6
161.09605	0.5
163.11169	5.1
163.14619	0.6
174.99220	10.8
187.11273	0.8
187.14734	0.7
191.14345	1.7
199.14796	0.7
205.15913	3.4
223.14909	0.6
251.00023	1.1
257.14957	0.5
295.17029	0.7
327.07962	0.9
327.16055	0.6
327.19574	1.4
327.23233	6.7
327.28955	4.9
328.15683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01867	2.3
55.05515	7.1
57.03431	1.6
57.07065	2.2
61.84355	1.4
67.05504	16.9
69.07061	7.6
69.46508	3.1
69.46912	12.7
71.04983	1.5
74.07589	1.4
79.05496	10.5
81.07051	14.0
83.08646	4.1
85.06539	2.5
91.05476	21.0
93.07039	37.7
95.04963	42.6
95.08612	23.0
97.06514	10.5
98.20748	2.2
98.98463	100.0
103.05461	2.3
105.07026	31.8
107.04964	2.0
107.08593	21.9
109.06534	7.1
109.10143	11.1
115.05460	2.8
116.99536	2.6
117.07011	7.5
119.08585	31.4
121.06475	8.3
121.10124	15.8
123.08070	5.5
123.11703	4.0
126.97852	1.5
128.06189	3.6
129.06982	6.2
131.08566	14.8
133.10129	27.2
135.08076	5.1
135.11708	7.3
137.09647	2.6
141.07008	3.0
142.07777	5.7
143.08543	9.6
144.09322	2.6
145.10130	19.9
147.08052	2.1
147.11691	8.4
149.13184	1.8
155.08536	3.3
156.09358	5.9
157.10126	17.0
158.10883	3.1
159.08072	2.8
159.11685	19.4
161.09628	6.7
161.13257	2.5
163.11165	2.2
167.08531	2.4
169.10144	7.0
170.10941	3.0
171.11641	10.6
173.09673	3.0
173.13283	8.9
174.99246	13.6
175.14856	9.9
181.10127	2.4
182.10948	1.6
183.11653	5.6
184.12512	1.9
185.13287	5.2
187.11131	3.7
187.14862	7.2
189.12744	2.2
189.16374	1.7
193.10150	2.9
194.10982	1.4
195.11740	3.7
197.13295	6.0
199.14848	4.2
203.14351	1.5
207.11887	1.4
209.13312	4.0
211.14786	4.3
213.16362	2.2
215.14551	1.7
223.14888	3.2
225.16518	3.2
229.15875	2.3
233.03712	1.6
235.14830	4.5
239.17915	2.6
249.16435	1.8
253.15793	3.0
265.19754	2.0
279.09760	1.6
309.22125	4.2
327.23093	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.9
55.01881	3.0
55.05506	8.7
57.03419	3.5
57.07069	5.3
59.50786	2.6
65.03932	3.2
67.05504	27.3
69.07056	14.9
70.56541	8.1
71.04990	3.6
79.05505	22.0
80.03266	2.8
81.03406	5.3
81.07052	26.1
83.04977	3.3
83.08621	6.4
84.79205	2.9
85.06528	4.8
91.05481	40.5
93.07042	72.2
95.04966	76.4
95.08605	53.8
97.06544	17.7
98.98463	100.0
105.07032	68.3
105.07655	1.8
107.08596	34.9
109.06501	12.8
109.10172	17.5
111.08114	3.4
115.05401	3.2
117.07018	17.7
119.08577	60.2
121.06515	16.7
121.10130	29.0
123.08059	13.5
123.11720	8.5
128.06187	5.2
129.07024	9.9
130.07849	4.8
131.08571	30.3
133.10129	43.8
135.08041	8.2
135.11667	9.4
141.06990	4.5
142.07764	8.5
143.08585	25.8
144.09332	4.2
145.10130	44.4
147.11702	12.0
149.09621	4.5
152.06226	6.1
153.06938	5.5
155.08502	10.1
156.09326	5.9
157.10123	34.7
158.10916	4.8
159.08086	4.5
159.11670	46.7
161.09636	18.8
161.13266	5.1
167.08519	3.3
168.05727	3.9
168.09433	3.6
169.10135	14.4
170.10931	6.4
171.11652	14.1
172.12360	3.2
173.09625	3.8
173.13286	17.1
174.99213	11.3
175.14819	19.7
179.08617	4.0
181.10101	3.3
182.10936	4.0
183.11717	9.1
184.12410	3.6
185.13269	8.9
187.11200	6.9
187.14771	14.1
189.16428	3.5
191.08604	3.1
193.10201	5.7
194.10895	3.9
195.11661	7.3
197.13278	13.3
199.14819	9.0
201.16493	4.7
209.13330	7.7
211.14810	13.3
213.16397	4.8
217.15916	3.1
220.12354	3.3
223.14836	3.7
225.16351	5.8
227.14297	4.9
229.16074	3.5
233.03589	5.3
235.14796	6.7
235.16969	3.1
251.04596	5.0
253.15828	5.3
309.22144	8.4
322.35733	3.6
327.07791	30.7
327.23206	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	327.1953
Annotation	Oropheolide
Peak:m/z	Relative Intensity
53.03942	2.3
55.05509	5.7
57.03419	0.8
57.07072	0.8
65.03933	1.3
67.05505	7.4
69.03419	1.1
69.07066	7.3
71.04984	2.5
71.08610	1.1
71.20476	2.0
77.01582	0.7
78.21410	0.8
79.05492	9.7
81.03384	0.8
81.07054	10.8
83.04971	2.2
83.08597	1.5
85.06532	3.6
91.05481	13.2
93.07038	19.9
94.69463	0.7
95.04958	4.1
95.08601	10.4
97.06526	2.3
97.10150	0.9
97.79902	0.8
98.98460	100.0
103.05486	0.9
105.07025	35.8
106.07366	1.6
107.04966	1.6
107.08583	25.9
109.02859	2.7
109.06516	3.1
109.10136	5.2
113.09634	0.7
115.05455	2.5
115.07516	0.8
116.99491	2.9
117.07012	8.3
119.08573	34.5
120.08916	1.4
121.06507	4.2
121.10145	16.4
122.19815	0.7
123.04420	1.2
123.08083	1.7
123.11720	1.3
125.09652	1.4
128.06180	3.7
129.06981	5.2
130.07755	2.0
131.04892	1.1
131.08563	13.7
133.06499	4.0
133.10121	14.2
135.04434	1.5
135.08055	6.1
135.11667	2.9
137.05965	1.4
137.09631	0.9
139.11099	0.7
140.01080	2.1
141.06982	2.7
142.07780	5.8
143.08565	10.8
144.09355	1.2
145.06454	1.6
145.10121	13.4
147.08067	1.8
147.11670	7.9
149.05960	1.4
149.09598	3.8
149.13264	1.7
151.07542	5.1
151.11192	1.9
152.06169	0.8
153.06973	2.7
153.09038	0.8
155.08542	9.2
156.09280	3.4
157.10124	16.0
159.08084	2.1
159.11691	13.4
161.06021	1.7
161.09595	2.0
161.13246	2.6
163.07556	3.0
163.11124	1.4
165.06969	2.8
165.12859	0.8
166.07765	2.3
167.08585	4.6
168.09297	2.9
169.10117	14.3
170.10623	2.2
171.08022	1.7
171.11700	9.5
172.12202	1.0
173.06020	0.9
173.09651	4.0
173.13223	3.2
174.99208	10.1
175.07593	1.2
175.11172	4.9
177.09111	2.5
177.12733	5.9
179.08543	2.7
180.09291	2.1
181.08623	1.5
181.10120	6.6
182.10931	2.8
183.08009	1.2
183.11705	11.7
184.12386	2.3
185.09610	2.5
185.13298	3.8
187.07556	1.9
187.11188	2.3
187.14824	1.5
189.09077	1.0
189.12595	1.3
191.10741	1.0
192.09277	1.1
192.80835	0.7
193.10109	6.8
194.10884	2.4
195.11682	7.6
196.12442	1.6
197.09592	2.2
197.13278	10.3
198.13757	1.2
199.07558	3.7
199.11163	2.9
199.14787	3.6
201.09056	2.8
203.10516	1.2
203.14513	0.8
206.10974	2.0
207.11642	4.5
208.12476	6.1
209.13197	7.2
210.13951	1.8
211.11011	1.6
211.14763	4.5
213.09102	5.6
213.12718	1.6
213.16353	4.5
215.10487	1.6
215.17842	0.9
217.12250	1.0
220.12463	1.2
221.13231	5.2
222.10139	0.9
223.11218	1.7
223.14806	31.0
224.15358	1.3
225.09050	1.2
225.12688	3.1
225.16389	5.0
227.10645	2.6
227.14229	1.5
229.12234	2.7
233.13240	2.5
235.14778	1.9
237.16356	2.0
239.14305	3.0
239.17996	4.6
241.12196	2.5
241.15872	8.6
243.13815	1.6
245.11713	1.7
248.15598	1.6
249.12781	0.9
249.16504	1.5
251.00014	1.6
251.14217	2.7
253.12170	2.1
253.15869	0.9
253.19453	4.5
259.13318	1.3
263.17972	7.9
265.19498	5.9
267.17459	1.4
269.15350	26.5
269.22543	1.5
270.15686	1.4
271.13425	1.7
271.16534	1.5
271.20709	1.1
281.18979	32.9
282.19345	1.7
283.20477	3.1
285.15201	0.7
285.18564	1.3
291.17438	3.2
299.16425	3.2
299.19998	9.0
309.18430	17.9
309.25610	0.8
310.67780	0.8
327.08084	1.1
327.19479	47.4
327.26813	3.8
328.15973	0.9
328.19827	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	326.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88056	5.5
56.96569	5.7
70.43612	20.8
70.43996	13.0
81.07066	8.2
85.06568	9.0
98.98463	34.0
105.07014	27.5
107.08596	6.6
108.89725	6.2
117.04396	6.2
117.07065	7.4
119.08587	19.5
126.15691	6.7
131.08569	26.4
133.10152	18.1
142.07724	13.4
143.08519	20.4
145.10117	34.4
147.11703	14.7
157.10115	44.4
159.11656	17.2
161.13269	12.7
163.03906	9.6
169.90286	5.7
174.45050	6.6
175.11179	40.4
185.13277	38.2
189.12729	40.7
191.10667	8.1
203.14322	76.2
213.12601	6.5
213.62752	5.5
229.08107	6.3
231.13831	100.0
249.14977	32.5
309.17020	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	327.1951
Annotation	Oropheolide
Peak:m/z	Relative Intensity
52.91950	0.8
53.03924	2.3
53.64061	1.0
55.01867	1.5
55.05508	7.1
57.07060	2.6
62.53084	0.9
65.03922	2.1
67.05502	12.5
69.06716	1.3
69.07065	15.4
71.04977	4.1
71.08602	0.9
71.19306	2.7
79.05485	14.9
81.07055	24.5
82.07369	1.1
83.04950	2.0
83.08590	3.5
85.06528	4.7
91.04887	1.5
91.05469	20.6
93.07045	21.4
95.04939	4.4
95.08595	24.5
97.06512	2.7
97.10140	1.6
98.98460	100.0
99.08069	1.3
105.07025	35.4
107.04918	1.7
107.08583	48.7
109.06499	6.2
109.10143	13.7
111.08067	1.2
115.05438	1.6
116.99478	3.2
117.07015	8.9
119.04893	1.2
119.06105	1.2
119.08570	44.4
120.08904	2.0
121.06489	3.2
121.09321	1.5
121.10143	20.9
123.08041	3.3
123.10886	1.0
123.11694	6.0
128.06178	3.0
129.06989	4.7
130.07745	1.6
131.08557	17.2
133.06473	6.5
133.09219	1.5
133.10126	17.4
135.04407	2.1
135.08066	11.2
135.11702	8.3
137.05945	2.0
137.13219	1.9
140.01083	1.2
141.06947	3.1
142.07753	5.7
143.08566	9.6
144.09308	3.4
145.06438	1.9
145.10112	22.4
147.08018	4.6
147.11699	12.4
149.06029	1.7
149.09576	2.7
149.13274	7.4
151.07547	6.4
151.11232	1.2
151.14810	1.0
153.06967	2.4
153.09053	2.5
155.08549	8.7
156.09285	3.8
157.10098	16.9
158.72464	1.1
159.08043	2.2
159.10475	1.2
159.11703	23.2
161.05945	2.3
161.09602	3.6
161.13249	7.0
163.07549	8.1
163.11211	1.3
163.14819	3.2
165.06996	2.8
166.07683	1.3
167.08519	3.9
168.09253	3.0
169.10120	11.5
170.10707	2.3
171.07971	2.5
171.11705	9.3
173.05922	1.6
173.09598	3.6
173.13293	5.4
174.99229	9.7
175.07481	1.2
175.11185	7.4
175.14809	3.8
176.11635	1.1
177.12724	8.9
177.16318	1.8
178.07751	1.2
179.08565	4.6
180.09299	3.0
181.10088	8.6
182.10786	4.1
183.11688	12.0
184.12297	1.7
185.09619	2.4
185.13225	5.1
187.07504	1.8
187.11076	2.7
187.14804	3.3
189.08943	2.0
189.12708	2.5
189.16415	3.5
191.08461	1.3
191.17920	1.5
192.09212	1.8
193.10162	8.7
194.10844	3.8
195.11667	12.3
196.12350	1.5
197.09593	1.2
197.13225	9.0
199.07570	2.6
199.11256	2.3
199.14767	4.4
201.09045	2.7
201.12704	1.9
201.16446	1.6
203.10646	2.2
203.14316	1.1
203.17909	3.8
205.19492	1.1
206.10869	3.2
207.11697	6.2
208.12372	6.0
209.13258	6.4
210.13800	3.2
211.11118	3.4
211.14767	3.9
213.09189	5.7
213.12677	1.9
213.16219	2.7
215.17822	1.8
217.19492	2.9
219.11624	1.8
221.13246	7.4
222.13815	1.3
223.11337	1.8
223.14810	32.9
224.15292	2.7
225.09059	1.4
225.12769	3.8
225.16261	5.8
227.10666	2.4
227.14194	1.3
229.12190	2.4
229.19485	2.3
231.21010	1.9
233.13290	1.7
234.13927	1.7
235.14726	2.2
237.16339	2.4
239.14279	3.1
239.17944	4.8
240.18170	1.1
241.12199	2.1
241.15840	2.7
243.21156	1.8
248.15445	2.1
249.16252	1.6
251.14276	4.0
253.12183	1.7
253.19531	4.8
255.17305	1.5
255.20848	1.7
257.22589	1.4
259.13263	1.1
263.17960	13.1
265.19556	6.7
267.13876	2.2
267.17459	4.6
269.15381	21.6
270.15463	1.2
270.37296	1.3
271.13330	1.3
271.24191	1.7
281.19009	34.9
281.21851	1.4
282.19305	3.0
283.16943	1.1
283.20523	4.2
285.18274	2.2
291.17349	3.3
299.16431	2.1
299.19974	7.3
309.18478	22.0
309.25726	1.5
327.07718	1.8
327.19449	60.2
327.27039	3.1
327.30319	16.7
328.19757	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	326.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10471	0.5
58.06538	61.6
58.07001	1.8
67.82803	0.6
69.03363	2.3
70.03695	0.5
70.64717	1.3
71.04923	0.6
72.05290	0.6
81.03421	2.7
81.19942	0.5
82.03692	1.1
85.02816	0.6
91.05455	0.7
93.06965	0.6
97.02847	0.8
98.98457	17.9
99.04391	1.1
108.08035	0.8
118.06407	0.8
126.21030	0.5
135.04364	0.6
136.04707	1.0
141.36958	0.5
147.09093	0.7
148.09517	0.6
163.03836	2.5
163.11024	0.6
164.04204	3.9
165.06917	1.0
169.54907	0.6
173.07007	1.0
174.07408	1.0
174.99231	2.8
175.08630	0.6
176.09076	0.7
191.08243	6.0
192.08495	13.9
195.80403	0.6
207.06680	1.2
219.06764	23.8
220.07513	4.9
221.06061	0.8
221.08049	0.8
231.06728	1.4
235.06181	3.4
236.07037	17.7
237.07500	0.8
240.97647	0.5
246.05441	3.4
247.06281	19.2
248.07037	3.1
248.53299	0.7
251.05836	0.8
253.08618	1.5
256.13284	0.7
262.04984	12.4
263.05212	0.9
264.06534	79.4
265.07132	4.6
275.05655	7.8
276.06570	9.7
278.04498	0.7
280.09668	2.0
281.08115	1.0
282.17023	2.5
283.09586	0.6
292.06042	7.0
293.06802	41.0
294.07132	1.6
298.14319	1.1
308.09161	100.0
308.12906	6.3
309.09433	4.3
318.95258	0.6
326.10181	16.8
326.14001	14.6
326.18835	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75922	0.6
55.01838	1.6
55.05501	6.6
57.03390	1.4
57.07043	1.4
58.06546	1.7
58.35635	0.6
65.03867	0.9
67.05499	12.5
67.05819	0.8
69.03371	2.7
69.07065	12.2
69.97977	0.7
70.09899	2.4
71.04955	0.8
71.08583	1.1
73.05009	0.6
73.19136	0.6
77.03867	0.6
79.05487	9.7
81.03377	1.8
81.07050	30.5
83.04925	1.2
83.08612	5.2
85.02852	1.6
85.06544	5.0
89.03861	2.9
91.05476	7.1
93.07043	14.0
95.04893	2.0
95.08601	28.6
95.09202	0.9
97.02886	4.4
97.06458	1.7
97.10149	3.4
99.08085	3.1
100.11191	1.1
103.05402	2.2
105.07024	11.0
107.04969	1.4
107.07875	0.7
107.08574	12.4
109.02841	0.6
109.06513	1.7
109.10143	16.2
111.08035	1.8
111.11670	1.9
113.09541	0.9
115.05401	1.5
117.03338	3.3
117.06954	2.2
119.08578	8.1
121.06458	0.8
121.10131	10.3
122.03609	1.6
123.08024	1.7
123.11705	7.2
125.09587	1.3
127.07521	0.7
127.11156	1.0
129.06943	1.1
129.09084	0.9
131.04865	2.2
131.08569	3.3
132.05666	0.8
133.10135	7.2
135.04405	8.2
135.10809	0.8
135.11670	9.9
137.05009	1.0
137.05962	14.7
137.09535	2.8
137.13197	2.6
139.11140	1.7
141.06975	1.3
145.02852	4.3
145.10043	2.8
147.08009	3.7
147.11678	5.5
149.13251	9.0
151.07495	1.6
151.11108	1.1
151.14775	1.9
155.10609	1.4
157.06438	0.9
159.11685	3.3
160.05157	1.0
161.05939	1.3
161.13251	5.6
163.03896	46.8
163.07513	4.5
163.14778	5.7
164.04164	2.1
165.06940	0.7
165.12700	2.1
165.16367	1.2
166.04852	0.6
169.06487	3.5
173.13196	1.3
175.07545	12.2
175.14803	3.5
177.16322	2.0
178.07809	0.9
179.08475	1.3
179.14262	1.6
179.17958	2.1
181.04898	0.8
187.07491	1.2
187.14803	1.3
189.06941	1.2
189.09009	1.4
189.16325	2.7
190.07669	1.5
191.08510	5.7
193.06410	1.0
194.07185	1.6
195.08035	1.4
196.08705	1.1
201.09097	2.1
201.16255	1.5
202.07722	1.6
203.08449	0.8
203.17871	0.9
205.06424	2.3
205.10101	1.5
206.07211	2.8
207.08051	3.8
207.17426	0.7
208.08791	5.5
209.09474	1.0
210.06664	0.8
215.17883	2.3
218.07170	2.6
219.08070	5.7
220.08812	8.8
221.06093	1.6
221.09573	5.2
222.06639	0.9
223.07497	1.9
223.11145	5.5
224.08342	3.8
225.09047	0.8
229.19472	1.1
231.20784	0.9
232.08769	0.8
233.05933	1.1
233.09621	3.3
234.06769	5.1
235.07547	6.0
236.08295	19.2
237.09012	5.2
238.06473	0.8
239.10664	4.0
247.07568	2.3
248.08293	3.1
249.09094	6.3
250.06197	1.2
250.09927	3.9
251.06935	1.6
251.10649	23.2
252.07759	3.3
252.10927	2.5
261.09055	2.0
263.07001	2.1
263.10672	2.9
264.07880	3.2
264.11139	1.0
265.08459	2.4
265.12064	1.1
266.09164	0.8
267.10165	9.0
268.10773	0.8
271.24200	4.9
277.08582	10.2
277.25198	2.2
278.05255	1.4
278.09296	2.7
279.10141	40.4
280.07529	1.3
280.10495	3.9
281.11728	2.0
283.09415	1.2
289.25244	10.0
293.07773	2.7
293.11536	2.6
294.12476	100.0
295.09702	39.2
295.12863	8.5
295.26270	1.4
296.10022	4.8
297.10867	1.3
307.08249	0.8
307.26282	6.6
308.09946	4.2
309.07806	1.1
309.11044	4.6
310.11981	46.4
311.12363	4.8
325.09378	1.6
325.14319	39.3
325.27332	5.2
326.10599	1.0
326.14328	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	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61908	2.8
53.03937	2.8
53.82122	2.8
55.01871	12.0
55.05512	41.9
57.03434	9.4
57.07068	16.4
67.05501	67.7
69.03428	7.2
69.07066	45.3
69.94893	11.8
71.04982	5.1
71.08623	11.5
71.71407	2.6
79.05494	47.5
81.03410	10.8
81.07056	69.7
83.04987	16.0
83.08618	28.0
85.02894	7.3
85.06556	7.9
85.10191	9.2
87.05971	3.1
91.05473	32.1
93.07045	42.1
95.04947	18.2
95.08601	50.0
97.02903	6.8
97.06532	12.1
97.10162	15.2
99.08076	4.3
100.90928	2.7
103.05474	3.6
105.07023	30.9
107.04953	11.4
107.08596	34.3
109.06528	8.2
109.10165	31.7
109.10861	4.4
111.04414	4.6
111.08084	8.1
113.09666	8.6
117.03377	7.9
117.07015	11.1
118.08537	2.6
119.08601	15.7
121.06515	8.2
121.10129	19.7
123.08065	9.0
123.11722	7.8
125.09621	15.1
127.36749	2.4
131.08569	15.2
133.10121	35.8
135.04420	12.6
135.08035	4.3
135.11673	19.5
137.05978	3.0
137.09621	7.6
139.11174	3.0
141.09073	5.9
143.08571	3.9
145.02859	7.6
145.10150	14.4
147.08054	3.7
147.11713	13.1
149.09596	11.1
149.13283	3.9
151.11179	34.0
152.88113	2.5
153.12708	4.3
157.10147	5.5
159.11685	7.9
161.09631	3.8
161.13210	3.2
163.03900	46.7
163.11195	11.6
165.12723	4.7
173.09622	5.0
173.13248	7.2
175.11285	3.5
177.12741	7.9
179.10632	3.2
181.06493	2.9
181.10278	2.6
181.12283	8.3
183.11646	3.2
183.13820	5.7
187.59436	2.7
191.14374	3.3
195.13927	4.3
200.27963	2.9
203.10732	3.5
205.12357	3.3
207.13803	3.7
219.13820	3.2
229.19511	5.0
242.76263	3.0
247.20558	12.2
257.19016	11.3
265.21716	10.9
275.20074	55.6
278.09058	3.4
293.21085	100.0
307.22742	18.9
309.11194	4.3
325.21039	4.4
325.23724	12.1
325.26971	19.6
326.09903	3.4
345.99301	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.7
55.05508	14.9
57.03435	4.7
57.07051	2.3
58.06583	2.6
60.05594	2.4
67.05497	21.6
69.03419	9.1
69.07065	18.3
69.94518	15.5
71.04985	4.4
79.05491	19.0
81.03421	3.4
81.07052	38.7
82.07388	2.9
83.04976	4.1
83.08611	12.6
85.02895	3.3
85.06545	5.6
89.03902	5.0
91.05495	13.4
93.07034	25.0
95.04982	11.2
95.08598	21.9
97.02871	9.2
97.06522	11.7
99.08031	2.8
100.11484	2.4
105.07034	16.5
107.04942	4.7
107.08572	16.2
109.06507	7.3
109.10133	11.5
115.31280	2.4
117.03381	9.4
117.06985	3.7
119.08616	17.0
121.06521	3.5
121.10137	10.2
123.08057	5.0
123.11723	3.3
125.09576	4.4
129.07014	2.9
131.08560	10.9
133.10103	12.6
135.04373	14.0
135.08043	5.9
135.11758	5.1
137.06013	3.5
137.09592	7.7
139.07498	2.6
139.11177	2.7
143.08563	8.5
145.02850	8.5
145.10126	8.2
147.07991	2.6
147.11652	11.4
149.09636	7.4
149.13211	4.5
151.11186	3.6
152.53989	2.5
153.12798	3.4
155.08551	3.3
157.10112	5.9
159.11610	6.0
161.13245	3.9
163.03902	100.0
163.11185	7.3
164.04260	5.2
164.08168	2.4
165.12781	3.9
169.10037	2.8
171.08046	2.3
171.11684	3.4
173.09627	2.9
173.13156	2.6
175.11176	2.9
183.11699	3.2
199.14978	3.3
229.19579	3.0
235.16913	2.9
239.17909	5.6
257.18961	5.2
263.20041	10.4
275.20032	31.1
278.09348	6.5
279.06512	2.5
280.10666	2.8
289.21780	3.1
293.21176	8.9
307.22586	4.8
309.11246	7.5
325.09338	4.8
325.14053	4.5
325.21588	3.7
325.25598	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03930	2.3
55.01875	9.3
55.05503	17.0
56.31737	1.8
57.03434	5.8
57.07062	3.4
67.05503	26.9
69.03426	7.2
69.07074	23.4
71.05008	3.6
71.64257	2.4
71.64653	1.9
79.05492	24.3
81.03397	3.3
81.07055	43.2
83.04975	7.7
83.08629	9.7
83.10627	2.1
85.02910	4.9
85.06580	2.2
89.03902	3.5
91.05482	20.9
93.07043	26.0
95.04971	9.3
95.08608	24.9
97.02881	7.0
97.06530	14.1
103.05477	3.3
105.07042	21.2
107.04981	6.5
107.08614	17.5
109.06536	9.3
109.10138	11.2
111.04460	3.1
111.08101	3.2
117.03370	8.4
117.07051	5.3
119.08561	15.9
121.06463	4.3
121.10178	15.5
123.08049	5.9
123.11678	4.7
125.09602	4.6
127.07516	2.2
129.41508	1.8
131.08563	5.9
133.10106	14.3
135.04398	17.8
135.08064	3.1
135.11674	11.4
136.56938	2.0
137.09650	6.4
143.08595	4.6
145.02849	9.3
145.10167	7.2
147.11665	10.9
149.09586	5.7
149.13353	4.5
151.11163	6.4
153.12689	4.2
157.10141	4.6
159.08008	2.4
159.11725	4.8
161.05946	3.1
161.13275	2.4
163.03912	100.0
163.11163	7.7
164.04185	4.0
165.12753	6.3
169.10126	2.7
171.11684	2.4
172.74803	1.9
173.13258	5.5
175.11043	1.9
177.12683	2.8
179.23338	2.0
183.11780	4.6
185.13252	2.0
193.12398	3.3
203.10754	2.3
208.08806	1.9
209.11678	2.7
223.13226	2.6
223.43008	2.1
227.18138	2.1
229.19569	2.3
239.17944	4.0
245.19096	2.3
247.20586	2.5
257.19037	5.7
263.20102	11.4
268.58502	2.2
275.20071	31.7
278.09427	5.4
293.20941	14.5
294.08844	4.2
295.22739	5.0
307.22610	7.3
309.11252	4.8
325.09204	4.8
325.14502	3.4
325.18094	2.4
325.21628	8.3
326.14319	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
55.01862	4.3
55.05503	9.6
56.99774	1.8
57.03418	3.1
57.07063	8.6
58.06573	1.9
64.26347	1.6
65.03938	2.2
67.05493	13.9
69.03413	8.6
69.07044	7.8
69.61557	5.9
69.61986	8.9
70.51772	1.6
71.04993	3.1
79.05493	17.6
81.03403	4.3
81.07053	20.8
83.04980	9.6
83.08617	5.7
85.02880	4.2
85.06552	1.9
89.03915	7.0
90.72381	2.0
91.05474	21.2
93.07034	27.6
95.04964	71.7
95.08603	13.6
97.02882	8.3
97.06561	12.8
97.84093	2.3
105.06360	3.6
105.07021	34.7
107.04939	5.5
107.08591	24.7
109.06528	13.1
109.10134	12.7
111.08086	1.8
115.05432	4.9
117.03358	7.3
117.07019	11.0
119.08569	31.7
121.06520	14.1
121.10114	9.9
123.08074	4.4
128.06189	6.7
129.07018	11.5
130.07758	5.9
131.08585	13.0
133.06488	3.2
133.10130	16.3
135.04411	24.0
135.08064	8.0
135.11661	3.5
137.05989	3.2
137.09604	4.1
141.06966	5.5
142.07793	12.5
143.08553	18.6
144.09296	5.6
145.02835	8.7
145.06454	4.0
145.10110	33.2
147.08047	8.5
147.11719	2.3
149.02333	3.9
149.05933	1.9
149.09518	2.8
154.07645	2.5
155.08548	11.3
156.09378	12.6
157.10117	30.0
158.07275	2.4
158.10789	2.2
159.08080	5.5
159.11662	19.0
159.77242	1.8
161.09598	8.4
161.13315	3.2
163.03902	100.0
163.11182	2.5
164.04262	4.5
165.06927	4.7
166.07825	3.7
167.08585	6.3
168.09312	3.5
169.10110	20.2
169.39417	2.0
170.10873	4.1
171.11688	21.8
172.08813	3.6
172.12416	4.8
173.09589	10.7
173.13321	5.4
175.11197	2.1
179.08556	9.6
180.09290	5.2
181.04944	2.2
181.10141	14.6
182.10861	5.4
183.11697	18.7
185.09644	5.5
185.13261	7.4
187.11234	10.8
187.12560	2.0
187.14781	6.1
189.12744	3.5
192.09329	4.4
193.04988	8.7
193.10126	13.2
194.10858	5.2
195.11658	15.0
196.12395	2.5
197.09618	4.0
197.13219	11.4
198.14032	2.5
199.11171	4.3
199.14819	5.1
201.12692	5.1
203.14398	3.3
206.10953	4.6
206.36197	2.1
207.11670	12.1
208.12445	7.4
209.13293	10.9
211.14766	5.6
213.12703	4.2
217.10008	2.9
219.11731	5.6
220.12451	3.5
221.13223	8.2
222.13983	2.9
223.11263	3.6
223.14775	15.3
224.15396	2.6
225.12762	5.6
225.16345	12.3
227.14352	3.5
233.06322	1.9
233.13266	7.2
234.13898	3.6
237.12592	4.3
237.16354	4.5
239.14264	2.9
239.17967	3.5
241.15810	5.6
247.14784	3.0
248.15715	2.3
249.16382	9.5
251.14392	6.5
251.17816	2.0
263.17987	3.6
265.15921	3.1
265.19226	2.1
267.17383	7.2
269.15323	10.3
278.09418	3.3
279.17694	2.8
279.21112	4.1
281.18881	3.2
289.19467	2.7
297.22263	3.4
307.20480	16.3
309.11258	4.9
325.09189	5.1
325.18219	3.4
325.21628	77.6
325.25970	10.5
325.76276	3.5
326.22034	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	325.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05505	5.4
57.07055	2.1
65.03908	0.7
67.05494	5.8
69.07062	15.1
69.29855	0.7
69.30177	7.6
70.32162	0.6
71.08614	1.9
79.05486	8.1
81.07051	12.6
82.11606	0.6
83.08616	3.2
91.05466	8.3
92.32340	0.5
93.06470	0.9
93.07037	13.2
95.04962	1.6
95.08045	0.8
95.08601	10.4
97.10147	1.1
98.20685	1.2
103.05438	0.8
105.06376	1.1
105.07024	14.1
107.04950	1.0
107.08586	9.4
109.06490	1.2
109.10131	4.0
115.05451	1.4
117.07001	5.8
119.07779	1.1
119.08568	13.6
121.06460	1.4
121.10148	6.8
123.11695	3.8
125.05966	1.4
128.05389	0.7
128.06155	3.3
129.06995	4.6
130.07732	1.1
131.08546	8.3
133.10124	8.8
135.04382	2.3
135.08023	1.2
135.11667	2.8
139.07458	1.3
141.06937	3.1
142.07780	4.7
142.39705	0.6
143.08548	11.0
144.09293	1.5
145.02806	1.1
145.06355	0.6
145.10130	10.0
147.07962	0.7
147.11682	3.8
149.05971	2.0
149.13303	1.1
153.07005	1.7
154.07799	1.8
155.08531	9.5
156.09384	3.1
157.06523	0.7
157.10109	13.1
158.10909	0.9
159.11676	9.6
161.06029	0.8
161.09642	1.2
161.13232	2.3
163.03891	8.7
163.07477	1.1
163.11201	0.8
163.14795	0.7
165.06982	1.8
166.07761	1.2
167.08543	4.1
168.09290	2.4
169.10121	12.4
170.10854	3.2
171.08084	0.9
171.11676	10.5
172.12344	0.7
173.09518	0.9
173.13269	5.1
175.07507	1.2
175.11153	1.3
175.14864	0.8
177.16409	0.7
179.08554	2.3
180.09311	1.7
181.10107	7.7
182.10858	1.9
183.08093	0.9
183.11684	11.1
184.12427	1.1
185.09624	1.1
185.13223	10.9
186.47479	0.6
187.07550	1.5
187.14752	4.9
189.09084	4.0
189.12668	0.7
189.16272	0.7
191.10635	1.1
193.10097	2.6
194.10881	2.2
195.11684	8.9
196.12370	2.4
197.09587	0.9
197.13260	9.1
199.07494	2.3
199.11171	1.3
199.14876	3.5
201.09087	1.8
201.16339	1.7
203.10609	2.1
205.12233	1.6
207.11658	2.3
208.12433	2.8
208.68782	0.6
209.13254	10.3
210.13959	2.6
211.14774	6.6
212.15678	1.3
213.09103	2.1
213.12657	0.8
213.16388	2.3
215.10611	1.5
217.12265	0.9
221.13139	0.9
222.13950	1.4
222.16214	0.6
223.11299	1.0
223.14784	15.1
223.16966	0.7
224.15404	2.1
225.16382	4.4
227.10649	1.9
227.14255	1.0
229.12135	1.3
235.14709	1.1
236.15617	0.9
237.12830	0.8
237.16344	7.2
238.16873	0.9
239.14334	0.8
239.17915	1.9
241.12245	1.5
241.15770	0.8
241.19322	0.7
243.13713	1.1
245.86684	0.7
249.16338	1.1
251.14369	1.7
251.17996	1.7
253.19585	1.6
255.13731	2.4
257.15344	1.8
264.18738	1.7
265.16150	0.7
265.19397	0.8
269.15390	6.2
270.15845	1.0
279.21048	25.5
280.21487	1.8
281.22562	4.1
283.17059	1.7
289.19376	0.7
293.21021	7.0
297.18649	1.3
297.22086	3.5
307.20099	3.4
309.11234	1.0
325.21582	100.0
325.28683	3.4
326.21844	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	325.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.05513	7.6
57.07070	1.9
57.18723	0.6
67.05497	9.2
69.03406	2.5
69.06725	0.7
69.07065	12.7
69.41037	8.4
71.04986	1.5
79.05098	1.0
79.05487	9.9
81.07059	11.3
83.04954	2.9
83.08601	3.2
85.06532	1.5
89.03883	1.9
91.05479	14.8
93.07047	15.5
95.04961	2.1
95.08594	9.4
97.02856	1.0
97.06489	1.2
97.10157	0.8
99.08088	1.2
105.07027	21.6
107.04916	1.8
107.08588	12.5
109.06503	1.6
109.10155	6.6
111.04417	0.9
115.05468	2.7
117.03368	2.4
117.07011	6.9
119.08573	22.4
121.06520	1.4
121.10143	8.3
123.11696	2.4
125.09644	0.8
128.06218	4.2
129.06990	8.4
130.07718	1.3
131.08571	15.0
131.65785	0.9
133.06473	0.9
133.10117	13.0
135.04399	5.8
135.08011	2.5
135.11674	2.8
137.05971	1.5
137.09666	1.5
141.06995	6.4
142.07797	8.7
143.08542	16.5
144.09308	1.6
145.02856	2.1
145.06436	2.3
145.10114	16.2
145.38361	0.8
147.08028	2.8
147.11702	5.3
149.05966	1.2
149.09602	1.9
149.13229	1.5
153.06969	3.1
154.07826	3.8
155.07350	1.6
155.08539	18.9
156.09340	15.8
157.10127	20.1
158.10686	1.5
159.08067	2.2
159.11670	14.2
161.05904	1.3
161.09624	2.7
161.13246	2.6
163.03894	28.3
163.11182	1.7
163.14897	0.8
164.04274	1.4
165.06995	3.1
166.07739	2.8
167.08516	5.6
168.09354	4.3
169.10115	25.4
170.10829	2.4
171.08040	2.6
171.11685	21.1
172.12141	1.3
173.09656	1.5
173.13258	7.1
175.11198	2.5
177.09143	1.4
178.07745	1.3
179.08534	4.7
180.09372	2.3
181.10086	12.1
182.10922	5.7
183.11694	20.5
184.12231	1.5
185.09633	2.2
185.13264	7.3
187.07536	1.4
187.11093	1.3
187.14813	3.4
189.09113	2.4
189.12729	1.7
193.10104	5.3
194.10892	3.4
195.08018	1.5
195.11699	12.4
196.12447	3.2
197.09587	3.6
197.13251	13.7
198.13814	1.0
199.07513	2.7
199.09305	1.0
199.11163	2.7
199.14713	4.9
201.09082	3.5
201.12761	1.3
201.16391	1.1
202.37901	0.8
203.10612	2.5
205.12233	1.2
207.11627	2.2
208.12439	5.0
209.09570	1.3
209.13222	14.4
210.13913	3.7
211.11311	0.9
211.14789	13.5
213.09030	4.5
213.12733	1.1
213.16347	3.8
215.10655	3.5
217.12186	1.3
221.13220	3.3
222.13911	2.2
223.11185	2.3
223.14798	19.9
224.15359	2.4
225.12807	1.8
225.16396	9.6
227.10606	4.2
227.14258	1.8
235.14787	1.1
236.15485	1.1
237.12671	2.0
237.16336	9.0
238.16946	1.3
239.14456	1.7
239.17906	4.2
241.12241	1.6
241.15999	0.9
243.13889	2.2
249.16397	2.2
251.14293	2.6
251.17937	3.1
253.19568	1.6
255.13754	2.5
255.17561	1.0
257.15433	2.5
265.15753	2.3
265.19485	2.2
267.17465	1.8
267.20950	1.0
269.15448	5.7
277.15582	1.0
278.09341	1.2
279.21057	31.6
280.21552	2.5
281.22580	12.3
283.16989	1.9
289.19443	2.0
297.22122	5.9
307.20569	12.0
309.11227	1.2
325.21591	100.0
326.21915	6.9
326.67355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03932	1.3
55.05505	5.5
57.07066	1.8
67.05504	5.8
69.07066	9.5
71.04993	1.1
71.19446	1.7
79.05482	6.9
81.07046	10.4
83.08599	2.1
85.06528	3.3
88.38085	0.8
91.05473	11.5
93.07031	18.5
93.29826	1.0
95.04927	1.7
95.08598	12.0
105.07024	17.8
107.08583	10.1
108.60614	0.9
109.10157	6.5
115.05454	1.6
117.07007	5.9
117.37941	0.7
119.08575	17.3
121.06523	1.3
121.10126	6.3
123.11682	2.2
128.06258	3.6
129.07001	6.7
130.07770	1.3
131.08574	12.3
133.09189	1.3
133.10130	10.4
135.04375	1.3
135.11691	3.2
137.09547	1.0
141.07002	9.8
142.07803	5.2
143.08549	14.6
144.09325	1.6
145.10109	13.5
147.07999	1.0
147.11687	6.8
149.05988	1.1
149.13226	1.4
150.15782	0.8
153.06966	3.5
154.07745	2.7
155.08546	13.2
156.09355	6.0
157.10130	15.5
159.08093	1.3
159.11685	14.9
161.09546	1.2
161.13228	2.3
163.03955	5.5
165.07039	2.1
166.07759	2.1
167.08575	5.6
168.09286	4.5
169.10117	19.7
170.10809	2.9
171.08098	1.4
171.11679	13.9
172.12463	1.1
173.09647	0.8
173.13257	6.5
174.13689	0.8
175.11229	0.9
175.14819	0.8
177.09225	0.9
179.08525	3.3
180.09297	1.3
181.10098	15.2
182.10899	4.1
183.08113	1.1
183.11688	28.0
184.12250	2.2
185.09607	1.1
185.13263	8.0
187.14746	2.9
189.09154	1.8
189.12732	1.5
193.10107	4.0
194.10880	3.9
195.11690	13.3
196.12366	3.2
197.09669	1.3
197.13239	21.1
199.11189	1.3
199.14806	6.0
201.09109	2.8
201.16386	1.5
207.11656	2.9
208.12444	3.5
209.09740	1.0
209.13249	12.5
210.13971	3.4
211.11446	1.1
211.14801	12.8
212.15593	1.4
213.09079	1.8
213.12709	1.5
213.16365	2.1
214.25211	0.9
215.10628	1.4
215.14330	1.9
217.12230	1.6
221.13228	3.4
222.10504	1.0
222.14084	2.3
223.14825	20.6
224.15453	2.4
225.12630	1.0
225.16376	12.0
226.16881	1.3
227.10600	1.7
227.17909	0.9
229.12158	1.2
234.14043	0.8
235.14737	1.2
236.15509	0.9
237.16362	14.5
238.17015	2.5
239.14287	0.9
239.17912	13.6
240.18665	0.8
241.12234	1.3
243.13791	3.4
249.16382	1.9
251.14253	1.8
251.17987	3.9
253.19521	1.0
255.13754	1.8
257.15414	1.5
264.18750	1.4
265.16061	1.9
265.19519	2.4
267.17371	0.8
269.15363	7.1
279.21042	37.0
280.21600	3.2
281.22620	26.8
282.22913	1.6
283.16882	3.1
289.19537	0.9
297.18765	1.8
297.21991	8.5
307.20514	5.7
325.21588	100.0
326.21887	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	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01858	1.0
55.05515	5.3
57.07060	1.7
65.03942	0.6
67.05495	5.7
69.03426	0.8
69.07066	14.1
70.42354	1.1
70.42754	0.9
71.08617	1.7
75.18589	0.5
77.03881	0.5
79.05077	0.5
79.05496	7.4
80.83774	0.5
81.07057	11.8
83.04958	0.7
83.08605	2.9
86.32225	0.5
88.61066	0.5
91.05482	7.7
93.07043	12.0
95.04942	1.4
95.08598	10.3
95.39420	0.5
97.06516	0.7
97.10172	1.9
98.21406	0.5
99.08100	0.6
105.07027	12.4
107.04945	0.9
107.08586	9.1
109.06496	1.4
109.10164	5.0
111.04368	0.5
115.05423	0.9
117.03364	0.8
117.07005	4.3
119.08577	15.4
121.06499	1.4
121.10153	6.4
123.11693	3.0
125.05984	1.4
125.09637	1.2
128.06197	2.4
129.07002	4.8
130.07759	0.7
131.08572	7.7
133.06502	0.5
133.10123	8.9
135.04393	1.2
135.08063	1.1
135.11664	2.9
137.05972	0.8
139.07510	1.0
140.50230	0.5
141.07008	3.4
142.07796	5.3
143.08557	9.5
144.09291	1.4
145.06447	0.7
145.10112	10.6
147.08040	1.1
147.11702	4.5
149.05988	1.3
149.13271	1.2
153.06981	1.5
154.07761	1.2
155.08562	6.9
156.09337	4.2
157.06479	0.5
157.10132	13.7
158.10881	1.5
159.08058	0.6
159.11681	8.2
161.09639	1.5
161.13248	2.7
163.03905	6.8
163.07549	0.7
165.07002	2.0
165.12782	0.5
166.07784	0.9
167.08591	3.9
168.09322	1.9
169.10129	11.6
170.10936	3.5
171.08118	0.8
171.11697	10.5
172.12379	1.0
173.09587	1.3
173.13271	5.8
175.11124	1.0
175.14824	1.2
177.09070	0.6
177.12758	0.6
179.08551	2.9
180.09366	1.6
181.10101	7.3
182.10867	2.4
183.08061	0.8
183.11679	11.5
184.12375	1.3
185.05894	0.6
185.09631	0.9
185.13269	6.9
187.07515	1.2
187.11227	0.8
187.14815	5.3
189.09088	3.5
189.12744	1.1
189.16307	1.1
191.10765	0.6
193.10085	3.3
194.10983	2.5
195.11691	8.9
196.12434	1.7
197.09647	1.1
197.13264	8.0
199.07516	2.9
199.11220	1.0
199.14842	4.3
201.09184	2.6
201.12662	0.8
201.16429	1.5
203.10664	1.9
205.12186	1.3
207.11658	2.1
208.12482	2.3
209.09573	0.7
209.13246	9.6
210.14005	1.8
211.11400	1.0
211.14833	7.2
212.15620	2.0
213.09064	3.0
213.12755	0.7
213.16385	1.8
215.10602	1.2
215.17995	0.8
217.12276	1.2
221.13269	1.7
222.14023	1.7
223.11374	0.6
223.14807	12.8
224.15498	1.7
225.16385	5.8
227.10703	1.7
227.14429	0.8
229.12219	1.6
229.15842	0.6
231.13919	0.7
233.13264	0.6
235.14806	1.2
236.15509	0.7
237.12794	0.6
237.16374	8.1
238.17014	0.8
239.14272	0.5
239.17932	2.0
241.12175	1.8
241.15898	0.9
249.16454	1.5
250.16975	0.6
251.14282	1.7
251.17950	2.2
253.19446	1.0
255.13820	2.7
257.15515	2.5
264.18835	1.3
265.15936	0.7
265.19443	0.9
269.15393	5.7
269.22717	0.8
275.20282	0.8
278.09378	0.6
279.21066	27.4
280.21597	1.6
281.22681	3.0
283.16922	1.5
293.17831	0.7
293.21085	15.1
294.21390	0.6
297.18689	1.1
297.22107	3.6
307.20584	3.2
307.23447	0.9
309.11285	0.6
315.78357	0.5
325.21609	100.0
325.28882	5.2
326.21939	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03858	3.3
65.82608	3.4
69.03413	7.4
71.48545	8.5
79.05478	9.3
81.07051	17.8
85.02893	4.2
89.03912	8.5
91.05512	7.5
93.07050	8.5
93.85545	3.5
95.04946	3.3
95.08594	4.9
97.02879	8.6
103.05453	3.8
105.07026	23.1
107.04961	5.3
117.03372	14.4
117.07004	5.2
119.08537	7.5
128.06201	11.3
129.06990	9.1
131.08540	12.7
132.08871	4.2
133.10118	6.7
135.04399	19.7
141.06981	11.5
142.07700	5.3
142.85069	3.6
143.08565	23.4
144.09134	3.3
145.02840	12.9
145.10175	16.7
147.11705	3.9
153.07016	6.4
155.08530	15.7
157.10103	16.3
159.08066	6.4
159.11697	8.8
163.03915	100.0
168.09346	13.1
169.09900	4.1
173.06010	6.3
173.09665	4.5
173.13370	3.7
183.11665	39.4
184.12119	4.6
187.11136	7.1
191.10542	3.8
193.10104	4.5
201.12766	16.9
201.75769	3.4
211.11163	12.1
229.12236	79.5
230.12564	9.2
235.27704	3.6
247.13313	11.0
280.10574	5.6
286.24225	3.7
295.05920	5.0
307.15451	10.3
307.38712	3.9
309.11273	9.6
325.10556	8.1
325.16577	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	325.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01873	10.8
55.05503	8.7
57.03438	11.0
65.03928	1.9
67.05504	25.5
69.03420	7.0
69.07054	8.3
70.27765	8.1
71.04989	2.5
76.75240	1.7
79.05489	26.7
79.67189	1.7
81.03413	6.6
81.07051	29.0
83.04559	1.8
83.04972	12.6
83.08610	2.9
85.06538	1.7
88.41580	1.6
89.03920	7.0
91.05473	30.9
93.07048	15.7
94.04164	1.9
95.04961	21.4
95.08602	14.0
97.02901	12.3
97.06510	1.9
97.10188	2.6
98.07307	2.5
99.04460	1.7
105.07025	15.8
107.04957	35.3
107.08585	6.0
108.18897	2.0
109.06515	14.1
109.10137	6.1
111.04463	3.0
111.08117	1.7
112.05193	3.7
113.06026	2.4
115.05448	1.7
117.03384	8.7
117.07026	12.4
119.04941	3.7
119.08566	13.3
119.78057	1.4
120.05725	1.7
121.06497	5.7
121.10126	3.9
122.07263	9.6
123.04420	3.7
123.08060	3.4
125.05981	2.5
127.03928	2.4
128.06277	2.0
128.79105	1.9
129.07065	4.0
131.08578	12.5
133.06511	8.0
133.07352	1.8
133.10112	5.5
135.04404	14.9
135.08051	5.0
135.11655	1.8
136.08827	2.0
137.09621	5.2
141.06929	2.5
142.07832	2.0
143.08562	4.9
145.02852	12.5
145.06488	7.4
145.10136	8.4
147.08032	11.7
147.11676	4.0
149.09616	2.3
151.07452	3.9
159.08012	2.5
159.11647	4.2
161.09634	8.5
162.10431	2.1
163.03903	100.0
163.11212	3.2
164.04184	4.6
165.09096	3.8
169.10062	2.3
171.11694	4.7
173.13284	3.1
177.01779	1.5
187.11145	3.3
187.14801	5.1
189.12740	3.9
205.15845	2.2
215.14330	4.8
215.63710	1.9
233.15332	32.6
251.16451	6.1
273.18414	1.9
278.09320	2.9
290.18732	3.5
294.08597	2.2
306.65225	1.8
325.09210	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	325.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01865	2.2
55.05507	1.9
57.03422	1.6
67.05487	3.3
69.03452	6.0
69.07053	2.8
69.91544	7.1
71.04993	2.4
73.02911	1.8
79.05482	5.7
81.03397	2.9
81.07037	4.8
85.02883	1.3
85.06528	1.9
89.03918	7.4
90.23050	1.2
91.05502	7.3
93.07031	6.0
95.04971	3.4
95.08592	5.5
97.02883	10.4
97.06511	4.5
98.20894	2.0
99.04414	1.4
103.05495	1.8
105.07030	14.3
107.04956	2.7
107.08572	5.5
109.06505	1.3
109.10162	2.5
115.05434	1.8
117.03383	7.4
117.07012	4.1
119.08555	7.8
121.10136	2.5
123.08023	2.3
123.11692	1.2
127.03881	3.5
128.06195	2.1
129.06984	4.2
131.04936	2.5
131.08560	12.4
133.06520	2.3
133.10149	6.2
135.04407	17.7
135.08054	2.1
135.11641	1.7
137.05936	1.9
137.09642	1.9
141.06987	1.8
142.07768	5.0
143.08548	10.3
144.09349	1.9
145.02831	14.5
145.06462	4.9
145.10123	9.0
147.08075	3.3
147.11676	6.0
153.06978	2.6
155.08540	4.0
157.10132	15.4
159.08044	5.8
159.11696	13.0
161.09627	5.1
163.03903	100.0
164.04195	4.0
167.08508	1.8
168.09320	5.3
169.10112	2.0
171.11681	4.3
173.05971	2.3
173.09601	3.0
173.13307	6.5
175.07587	1.4
175.11200	15.5
177.09050	1.5
178.07860	1.7
181.10086	1.5
183.11725	9.2
185.13196	3.1
185.39243	1.4
187.11151	12.9
189.09132	1.9
189.12746	3.4
191.07051	1.7
195.08051	1.3
199.11192	4.9
201.12758	15.2
205.06461	1.7
206.07294	1.5
207.08136	1.6
207.10181	4.5
208.08809	5.0
211.11140	2.7
217.12221	13.0
219.08011	2.9
219.13803	12.5
221.06110	2.0
221.09567	3.3
223.10992	1.5
229.12242	11.3
233.06003	2.0
233.09683	2.2
233.15433	1.4
235.07515	1.4
235.13266	3.3
236.08295	7.3
237.09100	2.0
246.06804	1.4
247.07637	3.1
247.13292	33.2
249.05428	1.5
249.09152	4.6
251.07025	3.8
251.10661	5.3
261.09335	1.3
263.06976	5.3
264.07773	5.3
265.14404	9.8
278.09366	2.4
279.06781	2.2
279.10123	11.9
293.07993	2.3
294.08810	13.3
307.08057	2.2
309.11212	67.3
325.09564	4.2
325.14362	4.1
326.10175	2.3
326.13937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Otobain
Peak:m/z	Relative Intensity
53.03926	1.0
56.48078	0.7
58.06582	0.8
58.23999	0.7
61.65030	0.7
65.03912	0.8
67.05479	1.1
69.03413	2.3
69.07058	0.9
70.08172	4.2
79.05474	2.9
81.03390	1.6
81.07047	3.0
83.79573	0.7
84.29482	0.8
85.02893	1.4
89.03903	2.7
91.05471	11.7
93.07026	1.4
94.04180	3.3
95.04996	0.9
95.08594	1.0
97.02898	3.9
103.05450	10.4
104.06239	1.9
105.07011	3.4
107.04947	2.5
107.08577	1.0
107.72459	0.8
109.06490	1.3
109.10155	1.1
115.05444	10.4
117.03411	3.9
117.04143	0.9
117.07008	10.0
119.08576	9.4
122.03638	9.2
128.06241	4.7
129.06999	11.4
131.04924	17.9
132.05717	7.6
133.06548	1.2
135.04395	7.9
137.05965	97.8
138.06329	2.3
139.13316	0.7
141.06987	17.6
145.02821	5.1
145.06462	3.5
146.03647	1.0
147.08032	32.4
148.08372	1.1
151.07527	2.4
157.06444	3.0
158.07265	2.1
159.08076	1.4
160.05179	6.5
161.06003	7.4
163.03900	39.5
163.07535	17.1
164.04300	1.2
169.06477	26.3
170.07097	0.7
173.09621	0.9
175.07535	100.0
176.07896	3.4
181.04961	0.9
186.06802	4.1
187.07516	3.3
189.09076	11.1
190.07768	2.1
193.08575	0.8
201.09105	12.4
202.09834	1.2
203.08565	1.4
205.06471	1.3
205.10069	2.1
207.08006	1.5
215.08537	1.3
218.07359	2.0
219.07983	1.0
221.05989	1.7
231.07892	1.0
233.09636	5.0
234.06709	1.0
237.08858	1.0
249.09103	0.9
250.05949	1.7
250.09846	0.9
261.09119	3.7
263.06998	1.0
265.08652	1.5
265.12201	5.4
267.10117	0.9
277.08401	1.2
278.05444	2.2
278.09122	1.3
281.08298	0.8
281.11566	0.8
283.09668	1.9
292.07199	1.1
293.07782	2.8
293.11597	4.7
294.08252	1.2
295.09650	1.4
307.09467	1.0
307.26355	0.8
308.09863	4.3
309.11169	2.0
325.14316	59.5
326.14401	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	325.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01866	2.8
57.03439	3.0
58.06597	5.7
61.02916	1.2
69.03425	16.9
69.32920	2.2
69.33352	1.6
71.01346	1.0
71.04987	5.0
73.02906	0.9
79.05476	0.5
81.03411	18.0
85.02883	1.0
89.03904	1.3
91.05460	1.0
93.28796	0.3
96.47763	0.3
97.02898	2.4
98.21458	0.7
99.04450	7.4
116.04966	1.2
117.03362	1.7
117.05492	2.1
118.06532	5.6
132.06839	0.4
135.04414	3.6
137.06046	0.4
145.02811	2.3
145.07597	6.7
147.09166	7.8
162.07941	0.9
163.03893	19.9
163.08623	1.4
163.11116	0.4
164.04280	0.4
173.07095	13.4
175.07306	0.6
175.08661	6.4
187.08646	0.4
191.08142	100.0
192.08475	1.4
203.07986	0.4
205.09726	0.5
219.06755	2.9
231.11417	0.5
233.09218	1.4
235.06345	0.4
236.07050	2.5
247.06248	3.2
262.04977	1.4
264.06531	10.1
271.10739	0.7
275.05829	1.2
276.06604	1.0
289.11664	2.2
292.06165	0.9
293.06836	4.8
307.12857	33.3
308.09171	14.8
308.12814	1.0
325.13925	24.5
326.10184	3.1
326.13864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1433
Annotation	Otobain
Peak:m/z	Relative Intensity
53.03933	1.3
55.01855	1.2
55.05502	1.0
57.03427	1.4
67.05508	2.1
69.03416	3.9
69.07060	2.5
70.91619	1.4
70.91959	1.8
79.05475	3.2
79.44585	0.9
81.03411	2.0
81.07029	5.9
83.04957	1.0
85.02890	2.6
85.06532	1.7
89.03902	3.6
91.05466	8.9
93.07034	2.1
94.04151	2.2
95.04951	2.1
95.08590	3.4
97.02889	7.3
97.06453	0.9
103.05450	14.4
104.06224	1.5
105.07014	4.2
107.04933	3.3
107.08584	2.1
109.06506	1.5
109.10149	1.6
111.08091	1.4
115.05449	7.8
117.03359	4.4
117.07011	6.3
119.08575	6.7
121.10073	1.1
122.03643	7.7
128.06201	4.1
129.07007	7.2
131.04921	23.2
132.05673	3.4
132.77155	1.0
133.06454	0.9
133.10199	1.4
135.04420	10.6
137.05969	100.0
138.06386	1.1
141.06984	11.8
145.02869	8.1
145.06480	3.0
147.04323	1.1
147.06935	2.1
147.08031	22.9
149.05896	1.4
151.07542	16.1
157.06442	2.9
158.07228	1.4
159.08046	1.4
160.05199	4.5
161.05977	6.4
163.03889	60.8
163.07542	35.1
164.04283	1.4
165.07013	1.3
169.06483	22.4
170.59212	0.9
172.05139	1.1
175.07535	91.0
176.07811	1.7
177.08987	1.2
178.07869	1.4
179.08446	1.5
181.04964	1.9
181.06485	1.3
186.06769	2.4
187.07536	5.4
188.08313	1.5
189.07475	1.5
189.09085	9.3
190.07776	2.8
191.08536	3.3
193.08615	1.1
193.10132	1.3
195.07927	2.3
196.08505	1.4
201.09116	14.6
203.08553	1.3
205.06522	2.3
205.10115	3.1
206.07347	1.5
207.08005	3.5
208.08812	2.5
209.05734	1.5
215.08664	2.1
217.06529	1.8
218.07333	4.5
219.08000	3.7
220.08806	3.5
221.09552	2.1
222.06824	1.1
223.07495	2.5
223.11105	3.1
224.08067	3.8
231.07945	1.0
233.05902	2.6
233.09628	8.7
234.06676	3.0
235.07523	7.1
236.08318	8.8
237.09009	2.9
238.06233	1.3
239.06599	1.1
239.10672	2.0
247.07533	2.6
247.23001	1.3
248.08118	1.6
249.05560	1.6
249.09129	4.5
250.06027	2.0
250.09816	2.1
251.07047	3.7
251.10660	9.7
252.07800	2.3
261.09137	6.0
262.06134	1.2
262.09204	1.4
263.06915	1.6
264.07883	2.0
265.08560	3.4
265.12238	5.8
266.09375	1.2
267.10071	3.8
277.08542	5.9
278.05576	1.0
278.09277	3.0
279.06656	2.6
279.10138	20.0
281.07886	2.2
282.08429	20.6
283.09100	1.1
291.10104	1.5
292.10687	1.1
293.07925	5.2
293.11646	8.0
294.08905	6.5
294.12445	44.7
295.09644	19.4
295.12637	1.5
296.10413	1.5
297.11343	2.3
299.00528	1.2
308.09836	4.2
309.11200	18.7
310.08426	1.9
310.12018	24.2
324.12369	1.1
325.10272	4.7
325.14313	86.2
326.14261	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	325.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.6
58.06592	0.6
58.56234	0.4
59.40680	0.5
67.05483	0.5
69.03402	1.2
69.49868	3.1
69.50284	1.1
77.27032	0.4
81.03405	0.6
81.07037	1.2
85.02874	0.7
89.03898	0.9
89.66679	0.5
95.08588	0.6
97.02869	2.0
100.11200	0.5
105.07008	0.7
107.08604	0.5
117.03355	2.0
119.08562	0.8
129.07025	0.5
135.04416	3.8
137.05998	3.1
145.02850	2.0
151.07512	0.6
153.06938	0.6
163.03906	18.1
164.04269	0.7
165.06943	0.8
175.07538	1.6
178.07764	1.0
179.08492	1.1
189.07037	0.8
190.07709	1.2
191.08589	5.0
193.06462	0.4
194.07236	1.3
195.08063	1.4
196.08762	0.7
201.09099	0.8
202.07727	1.2
203.08551	1.7
205.06544	0.9
205.10130	0.7
206.07253	1.8
207.08067	4.5
208.08798	5.0
209.05885	0.5
209.09544	1.1
218.07265	1.7
219.08034	5.0
220.08821	8.6
221.09552	3.7
222.06860	0.7
222.10225	0.7
223.07507	1.8
223.11142	4.9
224.08308	2.8
225.08984	0.6
233.06009	1.4
233.09593	3.6
234.06796	3.0
235.07504	7.3
236.08316	17.4
237.08992	2.6
239.10612	3.6
240.07700	0.6
247.07593	2.1
248.08276	2.3
249.09135	4.3
250.05943	0.9
250.09923	3.3
251.06920	1.6
251.10667	23.1
252.07806	2.3
252.10941	0.9
253.08447	0.6
261.09036	1.5
262.05930	0.7
262.09961	0.7
263.06992	1.7
263.10666	3.1
264.07755	2.8
265.08539	1.1
265.12283	0.7
266.06012	0.5
266.09344	1.2
267.10138	7.0
268.10468	0.6
277.08597	6.6
278.05359	0.6
278.09335	2.3
279.10156	42.1
280.07321	1.2
280.10568	2.6
281.08130	0.6
281.11844	0.8
282.12308	0.9
283.09634	1.3
293.07767	1.2
293.11673	1.7
294.12494	100.0
295.09695	39.0
295.12860	6.3
296.10052	3.0
297.11172	0.6
308.10059	1.9
309.11127	3.1
310.11987	47.0
311.12247	2.9
325.14334	34.3
326.10693	0.5
326.14352	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03926	0.8
57.03427	1.3
58.06589	1.6
67.05495	0.8
69.03071	0.5
69.03427	6.3
69.07057	0.8
69.58881	3.1
70.93112	0.4
71.01321	0.5
71.04984	1.0
79.05478	1.1
81.03415	3.2
81.07036	1.4
84.15719	0.3
85.02468	0.5
85.02908	4.3
85.06541	0.6
89.03911	5.7
91.05457	0.5
93.07023	0.5
95.04956	0.8
95.08599	1.0
97.02277	0.8
97.02888	12.7
97.03511	0.8
99.04444	0.8
105.06970	0.5
107.04958	2.7
109.02877	0.9
109.10139	0.7
111.08086	0.5
115.05477	0.4
117.03375	7.1
117.07039	0.5
121.10180	0.5
127.03887	1.6
129.06964	0.5
131.04869	0.4
135.04414	18.2
135.11668	0.4
137.05984	2.3
145.02840	11.8
145.03983	0.8
163.03902	100.0
164.04242	3.2
169.06506	0.5
173.05942	0.5
175.07578	1.5
179.08598	0.5
181.04968	2.5
181.06348	0.5
199.99045	0.4
201.09138	0.5
207.08118	0.4
222.06447	0.6
234.06471	0.8
235.07578	0.8
235.33830	0.4
237.09035	0.5
246.06416	0.4
249.05597	0.5
250.05864	2.3
262.05960	0.6
263.06808	0.7
277.05164	0.8
277.08316	1.4
278.05347	6.0
292.07047	0.9
293.07706	6.3
293.10983	0.7
307.08096	2.3
308.06412	0.8
308.09961	12.6
308.13412	0.8
309.10715	0.8
325.09348	4.7
325.13809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
54.19809	0.3
55.01875	2.4
57.03185	0.3
57.03429	2.0
58.06599	5.0
59.04970	0.4
61.02911	1.3
69.03430	16.4
70.23228	1.6
70.77243	0.3
71.01349	1.1
71.04990	5.5
73.02906	1.0
75.04470	0.3
79.05495	0.4
81.03417	18.1
85.02891	0.5
85.14163	0.3
89.03918	0.8
91.05473	1.0
93.44006	0.4
97.02895	2.5
99.04459	6.3
113.20722	0.3
115.41074	0.4
116.04963	0.6
117.03374	2.1
117.05486	2.3
118.06541	5.4
119.47446	0.3
135.04407	3.1
137.05989	0.5
145.02875	2.1
145.07617	7.1
146.50792	0.4
147.08134	0.3
147.09161	7.9
162.07863	1.6
163.03912	16.8
163.08669	1.3
172.06285	0.4
173.07108	11.1
175.08681	5.7
191.08154	100.0
192.08417	1.2
200.09448	0.4
205.09691	0.6
215.08279	0.3
215.11739	0.6
219.06647	2.1
220.07614	1.0
231.11349	0.6
233.09215	1.3
235.06282	0.5
236.07109	2.2
242.33644	0.3
247.06216	1.8
259.10678	0.4
262.04883	1.5
264.06546	8.7
271.10788	0.6
275.05823	1.1
276.06677	0.8
289.11807	1.1
292.05963	0.5
293.06775	5.0
307.12885	32.3
308.09183	13.9
308.12961	1.2
310.10941	0.4
313.13019	0.3
325.13934	18.8
326.10162	2.9
326.14081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02361	0.3
53.03942	0.4
55.01889	0.3
57.03419	0.9
58.06589	0.4
61.02895	0.3
63.02375	0.3
67.05486	0.8
69.03423	4.1
69.07035	0.7
69.63712	0.2
69.99219	0.3
70.36998	1.1
71.01328	0.3
71.05003	0.5
79.05485	1.1
81.03431	1.6
81.07037	0.9
83.04958	0.3
85.02899	2.2
89.03411	0.3
89.03920	5.4
91.05476	0.5
93.07034	0.6
95.04948	0.6
95.08589	0.7
97.02886	6.3
97.06540	1.7
97.10132	0.4
99.04424	0.6
105.07047	0.3
107.04947	2.0
107.08632	0.6
109.02881	0.7
117.03376	7.1
117.04233	0.4
117.06906	0.3
119.08562	0.6
127.03899	0.9
128.06279	0.4
129.06927	0.3
131.04915	0.3
131.08545	0.5
135.04410	17.2
136.04778	0.4
137.05952	0.6
141.06902	0.3
143.08553	1.0
145.02829	11.6
145.10165	0.3
155.08559	0.7
157.10091	0.5
159.08127	0.4
159.11684	0.4
161.05989	0.4
163.03896	100.0
164.04271	2.0
169.06465	0.4
175.07512	0.3
181.04988	1.5
183.08057	0.4
183.11708	0.6
186.05453	0.4
200.08289	0.3
201.09067	0.5
201.12759	0.4
229.12183	0.7
230.12489	0.5
239.07022	0.3
297.14993	0.3
298.00629	0.3
307.08203	0.8
309.11169	1.1
325.09177	4.5
325.14267	2.1
325.21332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.34143	0.3
53.03936	0.8
57.03420	1.3
58.06597	2.2
63.02358	0.4
68.21389	0.3
69.03069	0.5
69.03429	8.0
70.06634	0.3
71.01336	0.4
71.04973	0.5
71.11480	0.9
79.05502	1.6
81.03419	2.7
85.02901	4.0
89.03909	6.5
90.04272	0.3
90.68770	0.3
97.02887	15.9
99.04450	0.9
101.02382	0.8
107.04959	2.7
109.02866	1.0
117.03381	8.2
127.03880	1.1
135.04411	19.6
136.04768	0.4
137.05965	0.9
145.02846	13.3
163.03900	100.0
164.04245	2.6
177.06995	0.7
181.04930	2.5
186.05463	0.5
211.05370	0.3
233.05983	0.7
234.06822	0.8
249.09108	1.0
251.07056	0.6
251.38916	0.3
265.08505	1.3
266.09167	0.5
288.95374	0.4
291.10144	0.5
294.08871	1.6
307.08044	2.3
308.08167	0.4
309.11215	7.2
310.10928	0.6
325.09134	4.4
326.10172	0.6
326.13837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20060	0.9
53.03930	1.6
55.01862	1.7
58.06586	1.4
67.05498	2.7
69.03418	4.2
69.07036	1.7
69.97247	3.0
69.97686	3.5
75.00785	1.0
79.05499	6.1
81.03398	3.7
81.07051	8.8
85.02882	2.5
89.03924	6.8
91.05475	6.3
93.07040	6.4
95.04969	3.2
95.08582	2.0
97.02888	8.1
97.06516	2.2
98.21494	1.6
98.24393	1.1
103.05442	2.1
105.03325	1.2
105.07026	6.4
107.04937	3.8
107.08580	3.2
109.02875	2.1
109.06475	1.4
115.05424	2.2
117.03381	9.4
117.07014	7.7
119.08564	3.3
121.06521	1.9
128.06197	2.1
129.07025	7.8
131.04926	1.8
131.08568	10.4
133.06490	1.9
133.10074	1.5
135.04420	23.0
135.08083	2.0
137.05995	1.6
141.06985	6.7
142.07764	3.2
143.08559	8.4
144.09215	1.5
145.02852	14.2
145.06445	3.1
145.10078	6.5
149.05994	3.4
153.07007	2.8
155.08554	13.6
157.06578	1.3
157.10106	9.7
159.08040	3.9
159.11644	1.9
161.05954	1.7
163.03905	100.0
168.09317	7.6
169.10068	2.9
171.08072	1.1
171.11646	2.4
173.05930	1.7
173.09639	2.7
173.13240	7.2
175.78410	1.0
178.08012	1.1
181.04962	1.4
181.10066	2.0
183.08115	1.7
183.11696	32.6
185.13313	1.7
187.07536	2.2
187.11154	2.6
193.10130	3.1
199.11090	1.8
201.09111	8.1
201.12729	19.8
211.11165	6.3
212.11751	1.1
229.12233	67.0
230.12454	2.0
235.07309	1.6
247.13287	17.6
249.08894	1.3
250.08762	1.3
265.14371	2.0
279.10190	2.1
289.14355	30.5
292.06174	1.2
292.10263	1.3
293.10721	3.2
324.08832	2.5
324.12527	5.5
325.09256	4.1
325.14389	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	324.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06079	32.1
66.07168	14.9
67.05495	29.2
69.07094	19.9
69.90562	100.0
69.91799	13.7
78.24741	14.3
79.05486	23.0
81.07049	28.7
91.05445	36.7
93.07069	35.4
95.08611	28.0
105.07027	54.1
107.08617	24.9
109.10113	15.6
117.07067	30.8
119.08600	17.9
128.06213	32.4
131.08574	38.6
133.10190	24.8
135.04382	19.6
141.07008	22.1
143.08592	95.2
145.06485	20.8
145.10219	16.6
147.11649	17.2
149.05922	14.6
155.08578	32.9
157.10083	39.3
159.08073	25.5
159.11629	26.3
163.03873	85.7
168.09352	36.2
171.08063	14.4
172.89241	14.8
173.13370	18.6
183.11674	83.6
185.13303	14.6
187.11237	51.3
201.12744	55.4
211.11301	16.5
215.77017	16.2
223.09950	15.9
229.12210	99.4
247.13347	50.6
264.82193	15.1
278.81210	16.5
287.57425	14.1
297.84058	14.9
324.27646	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	324.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31536	8.4
70.46999	19.8
70.47390	32.2
81.07063	9.0
84.33842	8.2
89.08594	8.9
91.05466	26.0
93.07050	11.9
98.21440	13.1
105.07025	41.5
107.08559	25.5
113.31152	8.9
117.06992	17.9
119.08589	14.5
122.31905	8.4
128.06227	27.3
129.06973	17.6
131.08539	46.8
133.10094	13.0
141.06961	13.6
142.07787	15.8
143.08560	100.0
145.06485	14.4
145.10132	14.3
153.07033	17.1
155.08487	23.1
157.10118	26.2
159.08121	10.6
159.11658	25.4
163.03960	14.4
168.09367	32.7
171.08061	18.6
173.13309	19.6
183.11708	98.2
187.11156	35.5
189.09055	22.7
201.12691	63.4
211.11217	19.0
229.12228	94.3
233.65173	10.7
247.13284	39.8
247.80804	9.6
307.32605	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	324.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83382	0.4
71.44862	0.9
72.04524	3.0
77.69128	0.3
80.28524	0.3
103.08652	0.3
105.07043	0.5
112.88160	0.3
128.64091	0.4
134.74521	0.3
143.08572	0.7
163.03877	1.0
165.07005	0.5
178.07764	7.6
179.08412	0.7
180.09262	0.4
183.11636	0.6
189.07018	3.3
190.07762	2.9
191.08545	1.2
192.09322	0.8
201.12698	0.6
202.07768	2.5
203.08533	1.3
204.25873	0.4
205.06467	2.3
206.07260	10.3
207.08017	0.6
208.08752	2.6
209.09569	0.7
211.11038	0.4
216.05748	0.6
216.81082	0.4
217.06418	1.1
217.08621	0.5
218.07272	4.9
219.07977	1.4
220.08878	1.2
221.09616	34.1
222.09961	0.9
223.11159	3.7
229.12161	0.8
230.07202	0.4
231.08008	0.7
233.09959	2.0
234.06787	9.6
234.09161	0.9
235.07486	2.0
235.09958	1.8
236.08304	2.5
237.09055	1.8
246.06813	0.8
247.07591	0.9
247.13292	0.8
248.08492	0.7
248.10754	0.9
249.09119	28.8
249.11351	1.3
250.09383	0.7
251.10977	1.8
252.07799	0.7
255.20691	0.4
259.08490	0.4
261.09091	1.3
262.09888	0.6
263.07074	0.9
264.07791	2.3
264.10223	0.5
266.11749	5.7
276.10172	3.1
279.10156	100.0
280.10483	3.0
294.11301	2.5
307.09677	1.3
324.12332	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	324.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18796	0.3
54.10545	0.3
55.05527	0.5
58.06621	0.5
69.03463	0.9
69.07068	0.4
70.08967	1.8
85.02941	0.4
89.03953	1.1
91.05489	0.5
95.08649	1.0
97.02918	1.4
100.08064	0.4
105.07049	0.5
107.04999	0.7
107.08667	0.5
109.10190	0.6
117.03408	1.4
119.08622	0.5
135.04408	3.2
137.06003	0.6
145.02847	2.3
147.11505	0.3
163.03903	17.9
173.09702	0.4
177.07007	0.5
179.08629	0.7
181.05019	0.5
189.07004	0.9
190.07745	1.8
191.08614	0.6
202.07780	0.9
203.08575	1.6
204.09172	0.6
205.06522	1.7
205.10114	0.7
206.07315	1.2
207.08055	2.8
208.08835	0.4
215.08533	0.5
217.06511	0.4
218.07259	1.8
219.07977	2.4
220.08878	1.8
221.05962	0.9
221.09534	0.6
222.06415	0.5
231.08049	1.8
232.08823	2.4
233.05963	1.0
233.09692	1.8
233.11780	0.4
234.06711	0.7
235.07542	9.7
235.11272	0.5
236.08244	2.2
237.08786	0.5
246.06784	2.0
247.07550	7.4
248.08286	3.0
249.05486	1.1
249.09091	3.2
250.09962	2.2
251.06746	0.5
251.10744	1.5
259.07504	4.8
260.08273	2.9
260.10794	1.3
261.05661	0.9
261.09070	2.9
261.11545	2.1
262.06738	0.6
262.09894	8.7
262.12332	0.4
263.07037	37.2
263.10379	2.1
264.07602	2.1
264.10089	0.5
265.08670	0.6
266.09259	0.8
267.10007	0.5
276.07639	0.5
277.05017	2.4
277.08585	6.1
278.09363	42.3
279.06934	0.4
279.09866	2.8
280.10950	1.8
281.08441	0.4
281.11646	1.2
292.07251	2.5
292.10379	0.6
293.11694	100.0
294.12204	8.4
295.09656	1.1
295.13324	1.9
296.09412	0.5
307.09616	5.5
308.09634	0.5
310.12003	1.7
324.12363	2.4
324.15912	25.4
325.10333	0.5
325.16193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.6
55.05510	27.4
57.03430	7.8
57.07074	4.9
58.06594	2.9
59.05001	17.6
67.05502	42.6
69.03429	14.9
69.07066	33.2
70.86295	8.8
70.86657	3.0
71.04991	13.5
79.05496	33.2
79.18652	2.6
81.07056	100.0
83.04986	20.4
83.08604	17.0
85.06554	11.8
87.04486	6.3
91.05486	21.2
93.07043	63.6
95.04972	8.3
95.08606	90.3
97.06536	29.4
97.10161	10.0
105.07018	32.6
107.08597	56.6
109.06538	5.3
109.10162	56.7
111.08060	17.3
111.11687	4.9
117.07018	6.9
119.08571	25.0
121.10146	42.7
123.08099	7.7
123.11716	32.0
125.09627	17.1
127.11210	3.6
131.08562	12.6
133.06508	4.0
133.10138	42.9
135.11679	35.1
137.05978	3.2
137.09584	4.4
137.13237	10.8
139.11159	8.7
142.07904	4.1
142.47603	2.9
143.08524	5.6
143.10739	4.4
145.10138	19.3
145.11108	3.1
147.04402	4.0
147.11671	19.8
149.06007	4.4
149.09627	4.1
149.13268	38.8
151.11217	5.1
157.10139	6.6
159.11720	13.6
161.05983	7.2
161.13271	7.8
162.06807	3.4
162.36794	2.8
163.11159	3.6
163.14787	8.9
165.06955	3.2
165.12769	6.2
165.16190	2.8
166.07971	3.2
169.87357	2.7
171.11708	6.5
173.13258	5.6
175.14841	7.8
177.05461	4.6
177.16393	4.6
180.95732	3.2
183.11678	3.0
187.11198	3.0
187.14864	11.7
187.17702	2.6
191.08595	7.8
199.11188	4.4
199.14780	5.2
201.16394	8.1
203.17963	10.6
203.45879	2.8
204.05867	3.7
204.08063	5.0
219.08061	56.5
221.06020	11.1
227.10699	6.9
227.17976	5.5
229.19464	3.5
231.08145	4.2
233.05989	8.2
234.06728	5.1
235.07439	8.7
236.08281	9.1
243.21010	4.0
245.11732	6.2
247.07559	34.1
248.08267	10.6
249.05469	11.0
249.09164	6.1
257.22604	7.0
258.92157	3.2
263.07053	7.7
263.13010	4.8
263.20120	5.7
263.23792	9.1
264.07718	9.9
264.10257	5.4
265.08600	4.0
266.08783	3.0
269.22577	6.8
275.23755	10.1
277.04950	11.4
277.08353	6.2
278.09366	9.3
279.10175	77.9
281.11542	5.5
287.23581	6.9
291.10135	5.2
292.07254	6.1
293.11670	22.2
293.24704	28.2
296.09647	5.1
296.12836	32.0
305.24719	35.8
307.09827	16.3
309.10034	3.5
323.05563	4.7
323.12967	16.5
323.25830	38.3
324.08765	7.1
324.12329	35.1
324.15936	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05513	7.1
57.07078	3.0
64.26008	0.5
65.50985	0.5
67.05501	6.9
69.07068	13.2
70.07423	0.5
70.23950	1.0
70.24348	1.4
71.08636	0.7
76.30562	0.5
79.05492	4.2
80.04501	0.5
81.07055	15.4
83.08611	5.4
87.05214	0.5
91.05482	5.1
93.07043	10.9
95.04956	0.6
95.08604	22.0
97.10146	2.0
105.07027	13.4
107.08595	10.8
109.10159	9.3
111.11721	1.3
117.07008	3.3
119.08566	9.5
121.10142	9.7
123.11713	4.8
128.06206	2.0
129.07010	11.9
130.07698	0.6
131.08577	7.2
133.10144	6.8
135.11670	4.2
137.13271	1.3
141.06981	5.2
142.07751	1.8
143.08559	20.3
144.09341	0.9
145.10127	9.4
146.10873	0.6
147.11681	6.9
149.05940	1.3
149.13260	2.7
154.07722	0.8
155.08553	10.1
156.09303	1.1
157.10133	20.1
158.10965	1.0
159.11693	18.4
161.13269	7.0
163.14816	1.7
168.09341	1.4
169.10132	13.2
170.10815	0.9
171.11699	8.6
172.12430	0.9
173.13278	7.5
174.14082	0.6
175.14807	3.4
177.16354	1.6
181.10135	1.4
182.10899	1.1
183.11699	13.5
184.12411	1.4
185.13257	17.5
186.14005	3.0
187.14804	8.1
189.16405	2.4
195.11700	1.8
196.12518	1.5
197.13249	13.2
198.13983	1.1
199.14827	31.9
200.15247	0.8
201.16371	6.7
203.17941	0.7
209.13342	1.6
210.13979	1.0
211.14828	17.8
212.15434	2.3
213.14351	1.0
213.16385	21.0
214.17120	0.5
215.17963	3.3
223.14854	1.6
224.15529	0.9
225.16382	19.2
226.17119	1.2
227.17972	6.2
228.18558	0.6
229.19508	1.4
237.16400	1.5
239.17950	20.9
241.19511	3.8
243.20982	1.1
251.17995	1.5
252.18675	0.6
253.19508	10.6
254.20290	29.6
255.20917	2.2
265.19550	2.2
266.20062	0.7
267.21078	20.0
268.21716	1.6
279.20981	0.8
280.21817	1.4
281.22668	6.9
293.22601	0.8
295.24146	0.7
323.12704	1.4
323.27307	100.0
324.27704	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03932	7.1
55.01881	14.2
55.05507	41.0
57.03427	9.5
59.04974	2.8
61.09629	2.3
65.03937	4.9
67.05161	4.7
67.05499	73.7
67.05867	4.1
67.24610	2.2
69.03426	5.7
69.07060	24.5
70.12406	14.2
71.04986	6.6
79.05483	51.5
81.03389	7.2
81.07050	100.0
83.01308	3.9
83.04975	41.5
83.08607	15.9
85.06547	8.3
91.05468	59.6
93.07037	72.9
95.04953	20.2
95.08598	39.2
97.02869	3.0
97.06515	12.3
97.10172	7.4
98.20785	2.8
105.07018	59.8
107.04941	13.9
107.08586	51.9
109.06493	17.1
109.10146	50.9
111.04428	8.9
111.08069	12.3
113.05972	2.3
117.07010	14.9
119.04963	4.4
119.08573	26.3
121.06493	20.9
121.10104	19.4
123.04443	6.1
123.08033	9.3
123.11689	15.6
125.05995	4.3
128.06218	5.1
129.07016	7.7
131.08548	23.3
133.06488	19.6
133.10118	96.6
135.04391	3.1
135.08047	10.8
135.11664	8.4
137.05969	6.2
137.09616	4.8
139.07549	9.6
143.08591	12.0
145.10120	17.8
147.08037	14.0
147.11682	12.4
149.05989	3.7
149.09615	17.0
149.13289	3.3
151.11168	84.5
153.12746	3.2
155.07021	3.2
157.10132	8.2
159.08113	6.6
159.11685	4.1
161.09602	18.7
161.13278	5.0
163.11169	6.6
165.09097	3.8
165.12741	4.8
171.11668	8.1
175.11156	8.8
175.14847	3.2
177.09129	10.0
179.10654	9.7
181.08588	5.5
181.12260	2.8
183.13788	25.9
185.09554	2.7
187.11087	5.0
189.12753	8.5
193.12376	2.5
199.11104	3.1
201.12764	3.6
203.08458	3.2
203.14377	3.3
211.13266	3.7
217.12341	4.4
223.13298	3.8
225.82704	2.8
227.17894	6.1
228.89270	2.3
229.14236	3.8
245.18971	19.9
248.08513	3.2
255.17490	6.3
263.19986	14.9
273.18463	48.6
291.10211	4.0
291.19516	85.5
291.42874	2.6
302.78375	2.3
305.21228	11.8
323.12726	6.6
323.22278	39.7
324.12454	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.3
55.01869	33.7
55.05509	31.7
57.03437	26.6
57.07069	5.6
66.96617	5.6
67.05504	100.0
69.03428	8.1
69.07073	59.6
69.42773	40.4
69.43198	11.5
71.04972	8.2
79.05486	54.2
81.03419	25.4
81.07053	87.6
83.04966	15.6
83.08610	12.6
85.06548	24.9
91.05479	53.9
93.07047	72.2
95.04972	52.7
95.08609	60.1
97.02893	8.7
97.06539	54.6
97.10161	15.7
98.20598	5.2
104.13526	4.5
105.07012	36.8
107.04943	12.9
107.08606	46.1
109.06521	42.9
109.10125	26.4
111.04426	5.6
113.06003	63.6
117.07011	17.4
119.04935	9.1
119.08576	40.6
121.06499	14.9
121.10110	23.5
123.08052	20.7
123.11738	9.9
125.09656	12.8
128.06218	7.8
129.07004	15.6
131.08572	32.1
133.06490	5.4
133.10115	28.4
135.04420	12.7
135.08025	36.9
135.11659	17.6
137.05997	8.2
137.09610	21.1
138.66774	4.9
139.07524	7.1
141.63480	4.6
143.08557	23.3
145.06546	6.2
145.10129	15.0
147.08078	8.0
147.11659	14.8
149.05994	25.0
149.09616	19.9
149.13257	10.1
151.07532	8.4
151.11176	6.6
155.08659	5.6
157.10101	17.5
159.11674	16.3
161.09578	13.2
161.13310	7.4
163.07631	4.8
163.11224	12.6
165.09036	6.5
167.08675	4.5
167.18913	4.9
169.10091	7.7
171.11655	9.8
173.13283	5.5
175.11131	10.2
177.12747	7.5
179.10571	5.4
183.11681	13.3
187.11179	15.0
189.12723	7.2
201.09094	4.9
201.12683	6.1
203.08504	5.6
217.15945	5.0
221.15393	12.2
224.47298	5.0
227.17848	5.8
229.12270	18.0
231.08025	8.1
245.18980	8.6
247.13113	6.2
247.16966	5.5
248.08354	7.0
249.09062	5.5
252.93193	4.6
255.17305	8.9
259.07651	5.6
263.20099	6.0
273.18463	47.0
276.07742	7.3
279.09882	7.4
291.10086	21.4
291.19568	79.6
292.07303	5.7
293.10590	7.3
305.21024	15.7
323.12860	32.3
323.22470	13.5
323.25891	7.4
324.08505	5.2
324.12323	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48894	1.3
53.03936	2.4
53.96874	1.2
55.01861	6.5
55.05508	34.6
57.02317	1.3
57.03439	2.6
59.04996	1.6
60.55867	1.6
67.05500	17.3
69.03419	5.1
69.07062	18.1
71.04981	1.3
79.05490	23.5
81.03404	3.3
81.07051	17.1
83.04967	3.9
83.08626	18.6
85.02882	1.6
91.05479	13.6
93.07040	15.5
95.04950	5.4
95.08601	11.1
97.02901	1.9
97.06522	4.0
97.10169	29.5
105.07023	13.1
107.04963	4.2
107.08592	16.5
109.06525	4.1
109.10152	2.6
111.08051	3.0
115.05505	1.5
117.07015	6.2
119.04964	2.4
119.08585	11.0
119.16632	1.2
121.06516	4.9
121.10136	4.7
123.08054	12.3
123.11676	1.5
125.09633	24.2
129.06998	4.2
131.08559	9.4
133.06508	3.0
133.10123	4.6
135.08029	8.7
135.11620	1.8
137.09630	2.6
143.08554	5.4
145.10143	3.4
147.08038	6.3
147.11636	3.4
149.05968	4.9
149.09610	2.0
153.09096	4.8
157.12236	1.7
159.08153	1.8
159.11687	3.1
161.09628	2.6
162.10535	1.5
165.09117	3.0
171.11697	2.2
175.11205	3.0
182.01208	1.3
189.11136	1.6
193.12256	2.6
203.12769	12.3
223.13293	8.8
225.14825	2.3
227.18024	2.2
234.35046	1.6
237.14691	2.1
245.18996	2.2
255.17542	1.9
263.10791	2.4
273.18478	15.4
287.10782	1.4
291.19531	100.0
292.19998	2.7
305.21158	20.9
305.24564	2.2
320.66721	1.6
323.12692	4.4
323.22205	7.6
324.12457	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72908	2.2
53.03931	6.0
55.01860	13.2
55.05505	37.5
55.29466	2.2
55.81304	2.5
57.03416	5.4
59.93244	2.6
62.56764	2.6
65.03925	3.4
67.05501	67.5
69.03420	3.7
69.07064	27.6
71.04968	3.3
71.20081	7.5
77.46722	2.2
77.92526	2.6
79.05483	51.5
80.06380	2.0
81.07050	71.9
83.01346	5.4
83.04967	20.8
83.08613	14.6
85.06527	7.6
85.80172	2.5
91.05472	57.1
93.07038	60.3
95.04976	15.2
95.08594	47.5
95.53393	2.3
97.06520	8.2
97.10172	5.1
102.04025	2.4
105.06369	4.3
105.07024	49.7
107.04922	12.8
107.08584	38.5
109.06528	12.4
109.10144	46.7
111.04407	11.6
111.08091	11.7
116.85210	2.4
117.07010	7.4
119.08598	26.8
121.06533	19.9
121.10177	13.1
121.10895	2.5
123.04411	7.0
123.08068	7.5
123.11704	10.7
125.05959	7.0
128.06223	3.5
129.06993	8.8
131.08574	18.6
133.06511	13.3
133.10124	72.5
135.08037	10.8
135.11635	12.1
137.05937	5.2
137.09622	8.5
139.07535	11.7
139.11171	3.3
143.08536	12.5
145.10115	17.3
147.08005	14.0
147.11682	10.2
149.05989	3.5
149.09604	17.5
149.13252	5.2
151.11165	59.0
157.10136	5.6
159.11696	7.9
161.01627	2.5
161.09587	16.8
161.13243	6.5
163.11188	4.8
165.09062	5.3
165.12788	4.3
167.10689	3.5
169.10086	3.2
171.11719	8.5
175.11205	8.8
177.09183	4.6
177.12796	2.7
179.10654	9.9
181.08563	3.4
183.11543	2.8
183.13803	18.1
184.46394	2.9
185.13223	3.0
187.11194	4.9
189.12720	9.7
191.10620	2.6
193.12175	3.2
199.11150	5.9
203.14314	2.7
205.12233	2.7
207.13779	7.3
211.13329	2.6
217.12257	4.0
218.51221	2.5
223.13307	2.8
227.17937	4.5
229.14130	4.3
245.18968	14.1
255.17413	5.0
263.20053	23.1
273.18448	43.6
276.97656	2.8
291.19528	100.0
305.21027	7.2
323.12735	3.8
323.22202	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
54.77499	0.9
55.01867	6.3
55.05504	28.5
57.03420	2.1
59.04978	1.3
60.91911	0.9
63.72598	0.8
65.03927	1.1
67.05495	16.5
69.03421	5.4
69.07056	16.0
70.36725	2.8
70.60748	0.9
71.04986	1.3
76.98815	0.8
79.05484	19.0
81.03396	2.6
81.07053	16.5
82.38307	0.9
83.04966	4.0
83.08615	13.7
91.04945	1.3
91.05472	12.6
91.06013	1.5
93.07036	13.1
95.04939	5.7
95.08598	8.2
97.02873	2.9
97.06511	1.3
97.09540	1.3
97.10159	22.3
105.07040	9.7
107.04941	4.2
107.08575	11.7
109.02877	1.0
109.06508	1.5
109.10145	4.4
111.08057	1.7
115.05447	0.9
115.57417	0.9
117.07001	5.1
119.04926	1.7
119.08573	5.1
121.06496	2.8
121.10129	3.1
123.08077	6.0
123.11695	1.6
125.09619	20.8
129.06981	2.4
131.08563	5.5
133.06461	4.3
133.10101	3.3
135.04404	1.4
135.08054	5.7
135.11662	1.3
137.09618	3.1
141.06953	1.2
143.08551	2.2
145.10109	3.9
147.08098	5.8
147.11673	2.4
149.05884	1.3
149.09596	1.8
153.09081	3.6
155.08519	1.1
157.10129	1.3
159.11656	1.5
161.09618	2.1
162.10329	1.1
163.11110	2.3
165.09081	3.4
169.10152	1.5
171.11667	0.9
175.11192	3.4
184.98238	1.0
187.11119	1.2
189.11145	1.1
203.12721	9.6
221.11752	1.0
223.13283	9.3
225.13121	0.9
231.17166	0.9
237.14757	2.4
249.14864	1.7
263.19992	1.6
273.18527	11.1
291.19516	100.0
292.12817	2.5
292.19821	3.8
305.21085	27.0
306.21429	1.0
308.12366	2.6
312.84482	0.8
322.96063	0.9
323.14786	2.8
323.22177	7.3
324.12445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
67.05491	4.3
69.03423	5.9
69.07059	5.2
69.70650	10.6
69.71084	8.0
70.06582	16.3
71.56600	2.6
72.08141	4.7
79.05493	3.1
81.03436	4.4
81.07040	5.8
83.04948	3.4
84.04485	4.0
84.08141	10.7
85.02904	5.7
86.09696	12.1
91.05470	7.9
93.07030	5.7
94.06570	6.7
95.01299	3.5
95.04964	5.5
97.02888	3.6
105.07009	5.1
106.06503	3.2
107.04951	9.0
108.08114	17.5
109.06523	2.6
110.06041	4.8
116.97301	2.3
117.03398	4.3
118.06547	7.2
119.04923	8.3
119.07356	4.3
119.08542	3.5
119.49110	2.8
120.08102	12.9
120.51994	2.4
122.06027	4.0
124.07595	12.9
129.10258	4.0
131.04855	2.6
131.08521	3.6
133.06473	2.9
135.04395	7.1
136.07570	100.0
137.05986	3.5
137.07866	2.3
142.08624	18.2
143.08655	4.2
145.02827	5.5
145.06555	2.6
145.36368	2.4
146.06024	6.8
147.04402	21.3
148.04727	2.9
148.07582	5.9
149.02408	2.9
149.05978	11.0
154.08630	3.4
155.08546	3.1
161.05984	3.3
162.05498	16.8
164.07074	41.0
165.06958	4.0
171.11882	2.5
172.35022	2.3
173.10719	4.8
177.05417	16.1
181.08704	3.1
183.11690	3.7
189.05475	4.5
198.11281	2.7
201.10385	5.3
205.46608	2.3
213.10165	6.2
213.13898	3.8
217.04945	7.8
221.05948	9.5
224.10634	2.9
225.10266	6.4
226.11047	9.3
228.78259	2.6
241.09717	6.3
241.13354	25.6
249.05472	8.6
254.10587	3.6
259.14380	29.3
263.05402	5.5
269.12833	42.5
270.13129	4.6
277.04874	2.9
287.13873	42.9
291.10126	5.8
295.06006	7.0
305.14923	80.9
323.05417	14.4
323.12921	5.3
323.16232	4.0
324.11096	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	323.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05494	2.2
57.03411	0.9
57.07072	0.8
59.04988	0.8
61.23982	0.6
67.05502	4.5
69.03417	1.2
69.07075	3.0
69.76966	4.3
71.04977	1.0
79.05490	3.6
81.07059	8.3
83.04973	1.4
83.08601	1.8
85.02921	0.8
85.06521	2.0
91.05473	5.1
93.07039	5.9
95.04949	2.4
95.08598	6.7
97.06505	2.8
97.10134	0.9
99.08081	1.3
105.07044	4.1
107.08591	4.5
109.06484	0.8
109.10174	3.6
111.08063	1.0
115.05437	0.9
116.47307	0.6
117.07001	1.0
119.08595	3.6
121.06524	0.8
121.10136	2.7
123.08040	0.9
123.11699	1.4
126.53916	0.6
128.06218	0.7
129.06989	1.8
131.08543	2.6
133.06483	0.7
133.10126	4.3
135.04495	0.6
135.11691	2.2
137.05965	0.8
141.06979	0.9
142.07753	1.1
143.08569	2.3
145.10121	2.4
146.30103	0.6
147.11691	1.9
147.63889	0.7
149.05940	1.5
149.09610	1.1
149.13240	2.7
152.06215	1.4
157.10092	1.5
158.06992	0.7
159.08061	1.1
159.11650	1.0
161.05960	0.9
161.09682	0.8
161.13202	0.8
163.05438	0.9
163.14806	1.0
164.18692	0.8
165.07027	3.3
166.07753	2.9
167.10622	0.8
171.11679	2.8
173.13184	0.6
175.11234	1.5
176.06183	3.4
177.07013	6.4
178.07750	7.7
179.08554	17.2
180.05730	0.8
181.06436	0.9
187.14871	0.8
189.07001	9.9
189.12712	0.9
190.07787	1.5
191.04816	0.7
191.08501	2.0
192.05678	4.4
193.06483	0.9
194.07216	2.3
195.07974	1.3
199.11246	1.3
203.08759	0.7
203.10593	1.2
204.05705	4.1
205.06508	17.7
205.08434	1.1
206.07253	6.7
207.08049	51.2
208.08470	1.9
209.05920	3.1
210.06750	1.7
217.06465	4.0
217.12216	1.7
219.07997	1.6
220.05223	6.3
221.05923	2.5
222.06761	14.0
223.07541	4.7
224.08275	1.3
231.08061	0.9
232.05193	2.1
233.03773	1.1
233.05972	13.0
234.06741	14.6
235.07535	69.9
236.08025	6.2
237.05457	1.2
237.09116	6.3
238.06284	1.8
245.11761	0.9
246.06786	0.7
247.07530	10.6
248.08276	1.0
249.05496	3.0
250.06233	12.8
251.06929	2.7
252.07777	2.2
253.08563	1.1
261.05447	11.1
262.06238	22.0
263.07034	23.2
264.07773	6.4
265.04782	1.0
265.05258	1.1
265.08572	21.3
266.08997	0.9
275.06955	4.2
277.04852	3.3
277.08142	1.0
278.05728	10.2
279.06329	1.9
280.07236	2.6
280.09976	1.1
281.08109	10.0
290.05542	1.1
291.06644	6.7
291.09793	1.4
292.07288	71.3
293.08044	74.5
293.24759	1.3
294.08301	4.0
305.10474	1.0
305.24689	2.4
307.05942	1.7
308.06805	11.9
309.06949	1.2
323.09097	100.0
323.25793	2.1
324.09198	8.1
324.12283	0.9
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
53.03932	1.5
55.05503	2.2
57.03405	1.5
58.06579	1.7
62.88873	1.2
67.05472	3.5
69.03421	4.2
70.06577	3.1
70.44700	3.0
70.45091	3.0
79.05489	3.5
81.03404	1.9
81.07030	2.3
83.04984	2.0
85.02913	2.1
86.09685	2.0
91.05461	6.1
93.07042	2.4
94.04162	1.5
95.04944	1.7
97.02876	2.9
97.06505	1.4
99.04443	2.1
103.05434	3.8
105.07011	11.7
107.08580	2.2
109.02879	1.6
109.10146	1.5
115.05431	8.7
117.07000	3.2
119.08554	2.8
121.06493	2.1
121.10128	2.2
122.03598	3.7
123.04433	1.6
127.03880	1.5
129.07004	2.2
131.04877	3.3
133.02864	1.8
133.06476	8.0
134.03619	1.6
135.04419	3.7
137.05975	39.6
139.05324	1.7
143.04904	2.1
143.08516	3.3
145.06512	3.1
145.10072	2.8
146.03647	4.5
146.07231	1.9
147.04349	3.4
149.05965	7.8
151.07520	3.7
160.05229	1.4
161.05977	64.4
162.06644	2.3
163.07481	3.3
165.06938	2.2
175.07555	4.2
177.05511	2.0
179.07013	1.4
184.05171	1.9
189.06886	1.7
190.07816	1.6
191.08528	3.7
192.09203	2.4
199.07562	9.5
199.44249	1.7
201.09097	1.7
202.07751	20.5
203.08566	34.8
205.06496	3.4
219.07982	10.7
220.08821	12.1
230.07266	3.2
231.08046	53.4
232.08708	8.1
234.06827	2.5
235.07483	2.8
235.11192	2.5
237.09106	2.9
241.08484	3.0
242.07164	2.0
245.09598	2.2
247.07462	9.1
248.08319	29.5
249.05669	1.8
249.08986	4.7
258.06738	4.3
259.07526	31.3
260.08319	21.6
261.09143	1.8
262.05945	1.3
262.09894	3.5
263.10699	31.5
264.10904	2.6
265.08566	4.9
269.08270	2.4
273.09268	2.3
275.06943	4.2
275.10278	1.6
276.07773	22.4
277.08618	8.9
279.06573	1.6
279.50781	1.4
280.10760	2.0
281.10251	1.8
290.09430	3.4
291.10126	100.0
292.10721	9.5
293.08109	9.2
294.08765	2.4
295.05923	1.6
295.09830	1.6
295.13266	3.4
301.77823	1.3
301.81644	1.5
305.11642	4.3
307.09647	3.4
308.05469	6.0
308.10486	9.4
309.06479	1.5
323.05505	4.5
323.12756	98.0
324.08578	5.4
324.12729	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.38297	1.1
55.01871	1.1
55.05508	1.9
56.13667	1.2
56.37781	0.9
67.05491	2.2
69.07050	1.6
71.65253	1.4
79.05477	4.9
81.07050	7.4
81.88009	1.0
85.06545	1.7
89.03922	1.4
91.05460	3.2
93.07018	3.1
94.04194	6.2
95.04956	1.7
95.08576	4.1
99.51551	1.1
103.05440	2.1
105.07026	10.2
107.04949	1.6
109.06512	5.6
109.10149	1.9
115.05444	4.9
119.08591	1.7
121.06465	1.5
121.10100	1.8
122.03644	9.9
123.11714	2.0
128.06229	4.1
131.04944	1.2
133.06491	6.9
137.05968	100.0
138.06253	1.6
139.11131	1.3
141.06990	2.2
145.06516	1.2
146.03596	6.3
147.04385	2.1
147.08060	1.1
149.05998	2.1
149.13310	1.3
155.04898	1.6
156.05664	2.1
161.05971	74.3
162.06281	1.2
163.07544	1.8
165.07007	2.3
167.07057	1.6
167.08502	1.1
168.05663	1.4
171.08025	3.4
177.05441	2.3
178.07729	1.6
184.05193	4.7
189.07008	1.3
190.07695	1.3
191.08548	4.5
192.09344	2.6
197.91957	1.2
199.07541	37.2
200.07954	1.4
202.07756	19.6
203.08551	32.4
204.09189	2.5
205.06506	3.0
207.33081	1.1
215.08452	1.3
219.08041	12.8
220.08850	10.7
221.09616	2.8
230.07256	3.0
231.08038	44.3
232.08800	10.0
233.05951	1.9
233.09569	1.8
235.07544	2.3
235.11189	2.5
237.09064	2.3
241.06393	1.2
247.07555	8.5
248.08304	23.4
249.08916	2.7
258.06854	2.3
259.07529	33.4
260.08334	14.2
261.09027	3.0
262.10004	1.1
263.07697	1.3
263.10690	28.1
264.11041	1.6
265.08545	3.2
273.09033	1.4
275.06934	2.6
276.07800	14.6
277.08606	11.8
279.10016	1.1
291.10138	65.7
292.10843	18.7
293.08032	5.2
293.11145	1.8
295.09854	1.7
295.13174	7.4
307.09561	2.8
308.10458	6.8
323.12744	72.7
324.08807	2.4
324.12598	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
54.74122	0.9
55.01862	1.6
55.05502	2.4
56.96561	0.9
57.03424	1.3
57.07065	1.6
58.06594	5.3
60.29214	0.9
67.05494	6.1
69.07060	4.9
69.40002	3.3
69.40424	8.4
71.04990	1.9
75.45807	0.9
77.65065	1.0
79.05484	5.0
81.03413	2.9
81.07050	10.9
83.08612	1.8
85.06541	1.1
88.04795	0.9
91.05471	6.8
93.07036	5.2
94.04092	1.0
95.04949	4.3
95.08624	9.6
97.06499	2.8
97.10152	1.6
97.33702	1.1
98.21455	2.2
103.05445	2.3
105.07027	16.4
107.04950	2.2
107.08591	7.0
109.06510	2.6
109.10135	6.3
111.08096	1.4
115.05447	3.5
117.07014	1.5
119.04939	1.5
119.08567	2.3
121.10110	1.8
122.03635	1.9
123.04487	1.3
123.11703	3.0
129.07011	2.6
131.04869	1.5
131.08607	3.3
133.06476	6.5
133.10120	3.5
135.04355	1.5
135.11682	1.4
137.05962	21.9
137.09637	2.3
141.07011	1.2
142.07858	1.5
143.08572	2.8
145.10124	1.7
146.03601	4.8
149.05988	4.2
149.09540	1.1
149.13210	3.0
151.11227	1.5
153.06963	1.4
157.10080	1.2
159.08128	1.3
159.11710	1.1
161.05972	63.4
162.06444	1.2
163.11217	1.2
165.07001	2.4
165.09116	1.1
167.04886	1.7
170.31305	1.1
171.08034	2.6
172.25826	1.1
173.13350	1.2
175.07520	1.5
175.11211	1.1
178.07747	1.5
179.03355	2.4
179.08537	1.6
183.11754	2.8
184.05171	2.5
189.07002	3.3
191.08607	5.1
192.09315	3.9
199.07507	15.1
202.07762	18.1
203.08559	28.0
204.05728	1.2
204.09355	1.2
205.06511	3.6
206.07416	1.5
207.08041	2.5
209.04366	1.4
209.09711	1.5
213.07045	1.6
215.08609	1.9
218.07208	2.2
219.08038	23.3
220.08871	10.9
221.06009	3.7
221.09482	1.7
222.06898	1.2
223.07632	1.2
227.10596	1.3
230.07259	2.9
231.08038	47.3
232.08827	9.5
233.05942	3.6
233.09627	1.3
234.06694	1.4
235.07434	2.6
235.11174	1.1
236.08427	1.4
237.09160	2.3
245.09737	1.8
247.07491	16.2
248.08292	28.7
249.05402	2.5
249.09000	3.8
251.05228	2.1
258.06638	3.0
259.07538	36.5
259.74130	1.0
260.08289	21.7
261.08838	3.1
262.10022	1.9
263.10675	23.6
264.07721	2.9
264.10571	1.7
265.08554	3.6
275.07001	3.8
276.07822	19.5
277.08636	5.8
278.08536	1.2
279.05704	1.2
279.10172	17.8
280.05505	8.3
280.10986	2.0
290.09399	1.5
291.10135	100.0
292.10721	10.5
293.08029	6.1
295.09821	1.2
295.13321	2.5
296.12637	5.6
305.10535	2.2
305.24689	2.7
308.05133	4.3
308.10358	6.7
323.07455	17.2
323.12711	63.0
323.19302	1.8
323.25809	2.4
324.12689	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0914
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
55.01851	1.3
67.05495	0.9
69.07063	0.7
69.93768	2.4
72.80856	0.4
79.05503	0.5
81.07038	1.8
91.05483	1.0
93.07015	0.7
95.08583	1.6
97.06512	0.5
105.07037	0.6
107.08572	1.3
109.10183	0.8
110.68896	0.5
121.10103	0.7
123.11749	0.5
129.69182	0.4
138.31041	0.4
149.13158	0.5
152.06178	0.8
153.06995	1.0
165.06944	3.2
166.06544	0.5
166.07791	2.7
167.08655	0.6
168.05757	0.7
169.57394	0.5
176.06181	3.4
177.06982	7.5
178.07767	6.9
179.08548	20.4
180.05743	0.7
180.09006	0.7
181.10266	0.5
185.05992	0.6
189.06970	11.0
190.07687	1.6
191.08525	1.9
192.05676	3.9
193.06425	1.6
194.07259	2.1
195.08072	0.6
196.05226	0.5
199.07600	0.5
204.05684	5.7
205.06488	18.0
206.07211	6.3
207.08044	56.0
208.05167	0.7
208.08362	2.1
209.05959	3.2
209.09596	1.4
210.06807	1.6
217.06468	4.3
218.07260	0.6
219.08057	1.6
220.05174	4.5
221.05945	2.9
222.06749	16.7
222.08951	1.0
223.07466	4.6
224.08316	1.8
231.08203	0.5
232.05144	2.0
233.05963	16.1
234.06725	15.3
235.07527	78.7
236.05045	0.5
236.05644	0.6
236.08109	5.8
237.05371	0.8
237.09084	6.4
238.06206	1.8
247.07532	9.3
248.04628	1.5
248.07947	0.7
249.05511	3.4
250.06248	15.4
251.06961	3.0
252.07803	2.3
253.08348	0.5
261.05460	13.4
262.06238	27.5
263.07010	27.6
264.07748	7.8
265.05408	1.2
265.08585	23.0
266.08835	1.1
267.09872	0.5
275.04346	0.5
275.07001	3.2
276.07822	0.6
277.04950	3.9
277.08484	1.3
278.05734	13.0
279.06339	2.8
280.07205	3.4
281.08008	1.0
290.05634	1.0
291.06506	8.4
291.09702	0.9
292.07285	82.1
293.08041	78.7
294.08420	4.6
305.08069	1.3
305.24817	0.8
307.05939	1.8
307.09235	0.5
308.06763	14.7
308.10324	0.9
309.06894	0.8
323.09122	100.0
324.09393	5.5
324.12851	0.7
331.79294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
57.03420	4.8
60.95831	2.0
61.02645	1.6
61.02926	24.5
69.03422	7.1
69.66431	4.8
69.66851	7.4
70.06584	1.5
70.98127	11.2
71.04983	3.1
71.95273	1.9
72.96041	2.4
73.02904	5.7
74.97605	8.9
81.03403	3.5
81.07045	1.6
83.04972	2.9
84.96037	7.5
85.02908	11.4
86.97567	2.8
87.04463	3.3
88.99155	9.7
92.98634	2.7
97.02895	3.8
98.01311	2.3
98.20777	3.1
98.97582	57.5
99.04455	1.6
100.99153	16.8
101.00875	3.3
103.02415	2.4
104.01266	1.4
105.02108	2.2
107.00156	2.2
109.02892	2.2
110.97564	13.5
112.99129	7.7
113.02374	3.6
115.00652	1.6
115.02432	3.5
115.03878	2.2
116.98622	54.0
117.02075	3.6
119.00196	10.5
119.01925	12.3
120.02056	1.9
121.01652	7.1
121.03497	3.2
124.95509	2.6
126.02539	1.9
127.02467	1.6
127.03874	4.9
128.02290	2.3
128.98621	23.1
129.03967	1.8
131.00175	18.1
131.01866	8.4
132.98105	5.6
133.01678	6.2
133.03455	13.8
134.99655	30.0
135.03160	9.4
135.04257	2.6
137.02907	3.0
139.01566	2.4
139.02605	2.4
140.00177	1.7
140.98648	3.5
141.04001	2.2
142.96524	4.4
143.00156	3.6
143.01888	6.5
144.03525	1.5
144.98096	6.6
144.99849	2.2
145.01706	2.9
145.03441	11.0
145.76888	1.6
146.99644	35.3
147.03218	3.0
147.05038	2.4
148.74474	1.7
149.01221	14.2
149.02899	3.8
149.04811	2.3
149.05946	3.5
150.01729	3.2
150.99149	16.1
151.04420	5.2
153.00699	4.0
155.01891	3.1
156.98128	1.9
157.03491	13.4
158.01323	2.2
158.99678	11.0
159.05031	11.3
160.97594	4.3
161.01216	9.9
161.02934	7.9
162.99168	12.1
163.02745	2.9
163.04532	2.8
165.00726	25.3
167.02164	1.8
169.00226	8.6
170.96057	2.2
170.99612	4.2
171.05006	7.4
172.97649	7.1
173.01193	5.6
173.02983	8.8
173.04688	1.4
174.99199	8.8
175.02791	4.4
175.04520	20.6
176.99217	2.1
177.00710	12.2
177.02092	2.3
177.04170	2.3
177.06093	1.9
179.02217	2.9
181.00163	2.2
182.99716	2.2
183.01784	11.5
184.97627	2.2
185.01320	2.1
185.02898	4.4
186.99118	2.2
187.00758	2.9
187.04565	3.4
188.97069	16.3
189.00696	14.9
189.04291	2.0
189.06107	4.9
190.98672	16.2
191.02280	5.8
191.03989	5.1
193.00232	29.3
193.03929	2.2
193.05533	15.0
194.01550	2.2
195.01794	2.0
196.04274	4.0
197.02911	2.9
198.01041	2.7
199.02689	1.8
201.00696	12.7
202.98680	7.2
203.02260	4.9
203.04016	6.7
205.00079	2.5
205.03799	2.8
205.05592	3.2
206.98293	9.1
207.01776	23.9
208.99716	19.7
211.01260	6.5
212.97046	2.4
213.03279	2.0
214.98584	2.6
216.01793	2.5
217.00063	2.9
217.05586	2.7
219.01685	16.4
220.08650	4.2
220.99689	17.8
221.03239	3.0
221.05089	14.0
224.02565	1.8
225.02856	7.3
225.08148	3.0
227.00656	3.5
227.04767	2.1
228.02176	3.5
230.03342	2.7
230.98151	12.3
231.07175	2.4
232.99603	5.3
233.03122	2.9
235.01283	6.4
235.06570	4.2
237.02774	12.9
237.06252	2.1
239.00755	5.7
244.99672	19.0
245.05223	2.9
248.99226	6.0
249.02744	2.0
249.08215	2.6
251.00742	2.7
251.04439	8.8
251.07954	2.6
261.02789	2.6
261.08209	3.8
263.00760	47.4
263.06256	19.0
265.05859	2.4
267.00348	2.4
269.05353	7.2
275.06110	2.0
277.07626	3.0
279.03830	2.5
281.01825	22.6
281.07455	2.0
286.02289	2.6
287.00739	3.5
291.03937	2.9
299.02856	6.4
304.03470	3.3
305.01831	14.3
305.07190	3.5
305.10477	1.8
323.02887	5.0
323.06406	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	322.107
Annotation	Teliglazine
Peak:m/z	Relative Intensity
51.14514	0.3
51.74560	0.3
70.40915	1.0
71.80653	0.3
98.20765	0.3
170.06079	0.3
194.06020	1.0
198.05449	1.6
204.08063	0.5
219.06772	1.1
222.05457	1.7
226.04881	0.9
232.07472	2.2
233.08287	2.7
234.05408	0.9
235.06218	1.2
236.07014	1.9
241.03720	0.4
246.05624	0.7
247.06229	0.3
248.06976	0.9
250.04857	0.5
260.07065	2.1
261.07849	2.9
262.04895	0.8
262.08521	0.4
263.05774	3.7
264.06543	8.5
265.07074	0.7
272.06848	0.6
274.04968	0.3
275.05795	0.7
276.06570	1.6
277.07065	0.5
278.08096	8.6
279.08524	0.6
288.06531	24.3
289.07248	13.2
290.04474	10.8
290.07687	0.9
291.05206	4.3
292.06003	60.2
293.06314	3.6
306.07626	8.4
307.08279	4.9
308.05511	0.4
322.10696	100.0
323.11023	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	322.1071
Annotation	Teliglazine
Peak:m/z	Relative Intensity
60.95950	0.3
70.87093	1.1
81.60870	0.3
106.28933	0.3
125.06002	0.4
137.06018	0.5
153.05496	2.8
206.05968	1.7
207.06770	1.1
208.07556	2.1
209.08310	0.9
212.07095	0.9
213.07796	0.4
219.06787	1.2
220.07570	2.1
223.09958	0.4
233.08308	0.6
234.05446	0.5
234.09087	2.4
235.06271	3.9
236.07048	12.8
237.07437	0.6
241.07329	0.9
247.06227	0.4
248.06978	2.8
249.07816	5.7
250.08620	17.6
251.09227	1.7
260.07092	0.5
261.07788	0.4
262.08643	13.3
263.06076	0.6
263.09326	4.1
264.06540	45.9
265.06900	2.4
276.06607	2.2
276.10019	0.5
277.07397	0.7
277.10947	0.4
278.08096	19.6
279.08878	12.7
280.09348	0.5
290.08160	2.1
291.08914	1.1
292.06061	5.6
292.09653	1.0
293.10513	2.5
294.11188	3.3
306.07596	3.4
307.08368	30.6
308.08673	1.5
322.10721	100.0
323.11023	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	322.1072
Annotation	Cepharadione B
Peak:m/z	Relative Intensity
58.37078	0.7
60.29299	0.7
67.05459	1.2
69.07047	0.8
70.06573	0.9
70.63240	0.8
71.64410	0.9
79.89223	0.7
81.07027	1.0
89.06819	0.7
91.05505	1.3
91.85883	0.8
95.08611	1.7
95.79099	0.9
116.63922	0.7
140.09523	1.0
149.05980	1.3
165.40077	0.9
192.08116	1.1
193.08850	11.4
194.07314	0.9
204.08170	2.6
205.08911	6.3
208.09052	1.0
209.09644	2.1
220.07602	3.1
221.08293	17.0
222.08865	1.9
223.14822	0.8
231.06850	0.9
233.08379	2.8
235.09898	3.5
236.07045	1.5
236.10687	42.8
237.11008	2.0
240.98656	0.9
247.09932	4.6
249.07765	12.4
250.08635	3.3
251.09442	7.1
262.08679	1.7
263.07028	0.8
263.09314	5.6
264.06763	3.7
264.10184	47.8
265.10602	2.1
266.11624	1.1
278.08133	4.9
279.08835	8.2
288.06323	1.6
289.07321	2.0
292.06097	5.5
292.09677	17.4
293.10410	9.3
294.08026	1.3
294.11212	34.1
295.11569	2.3
306.07632	1.2
307.08469	2.9
320.77386	1.0
322.10733	100.0
323.10815	4.9
323.19995	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	321.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43186	0.2
56.55730	0.2
56.92561	0.2
56.96562	2.7
70.06570	0.7
70.06985	0.3
71.95258	0.4
94.86977	0.2
98.21424	0.3
98.97581	6.8
116.97809	0.5
116.98622	7.2
119.01922	2.1
122.97895	0.3
134.99649	3.6
137.02959	0.7
142.03476	0.5
142.16670	0.2
146.70596	0.2
153.00723	0.7
158.99919	0.7
177.00952	13.5
178.01064	0.7
182.99806	1.9
183.01320	0.2
193.45143	0.3
194.98438	0.3
195.01952	0.4
201.00912	4.3
202.93478	0.3
214.92023	0.5
214.95587	0.4
216.98686	0.5
218.03668	0.6
219.02000	100.0
220.02130	6.4
221.02382	0.8
224.02518	0.3
224.47023	0.2
230.93283	0.5
232.93028	0.9
232.96626	0.3
234.99690	1.3
236.00027	0.5
236.99490	3.2
238.95570	0.7
242.03607	6.2
243.03868	0.3
248.33847	0.2
254.93355	0.3
256.93130	0.9
256.96628	7.7
257.96790	0.5
258.99817	1.4
260.00070	0.6
260.04688	0.3
261.03140	1.3
262.03137	0.4
262.95633	0.2
265.05167	0.3
272.94363	1.0
273.94580	0.2
274.94131	3.2
274.97656	3.0
275.97580	0.3
277.00781	1.9
278.01035	0.6
279.00681	0.4
279.98334	1.2
280.96637	0.9
288.92117	0.3
290.95563	0.4
292.95163	2.1
297.99637	0.3
298.97678	29.3
299.05130	0.6
299.97720	1.3
302.26889	0.2
314.96100	0.2
316.95187	1.2
316.98822	0.6
317.94855	0.4
321.99213	3.4
325.42557	0.5
325.92465	0.8
326.95392	0.3
328.44235	0.5
328.94467	0.4
334.92706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79066	0.6
55.05510	4.6
57.07057	2.1
64.49925	0.6
67.05502	8.1
69.06731	0.6
69.07066	8.0
71.44460	1.0
79.05489	6.0
81.07054	16.6
83.08616	3.0
91.05477	9.3
93.06462	0.8
93.07032	12.4
95.04971	0.6
95.08606	12.7
95.09216	0.6
97.10157	1.3
99.39880	0.5
100.38519	0.5
105.07025	16.0
107.07866	0.8
107.08588	12.6
109.10152	10.2
115.05418	0.6
117.07003	4.3
119.07785	0.9
119.08580	16.0
121.10137	10.1
123.11066	0.5
123.11721	5.3
128.06218	1.3
129.07004	5.2
130.07751	0.6
131.08559	9.1
132.09288	0.5
133.10133	12.1
135.11691	4.8
137.13268	0.7
138.01027	0.6
141.06958	2.6
142.07739	2.9
143.08569	9.4
144.09236	0.9
145.10115	10.2
147.11691	8.1
148.11992	0.6
149.13223	2.5
153.07001	1.2
154.07758	0.9
155.08554	8.6
156.09338	2.7
157.10127	10.5
158.10788	0.6
159.11688	11.2
161.13271	5.3
163.14839	1.0
165.07039	1.1
166.07805	1.0
167.08513	4.1
168.09334	2.3
169.10112	10.5
170.10838	0.8
171.11671	9.3
173.13257	8.3
175.14825	3.6
179.08591	1.5
180.09322	2.0
181.10127	8.2
182.10980	2.6
183.11694	9.6
184.12231	1.6
185.13240	7.8
186.13742	0.6
187.14809	4.2
191.53160	0.6
193.10081	3.1
194.10919	2.1
195.11684	11.5
196.12384	2.3
197.13258	9.1
198.13907	1.0
199.14813	9.7
201.16364	4.2
207.11635	2.6
208.12444	2.3
209.13222	10.5
210.12047	0.6
210.13983	1.7
211.14812	12.8
212.15419	1.0
213.16376	8.7
215.18073	0.7
221.13245	3.1
222.14052	1.6
223.14796	11.8
224.15489	1.0
225.16397	10.6
226.17010	0.7
227.17975	5.2
235.14819	1.6
236.15585	2.1
237.13972	0.7
237.16367	13.0
238.16983	1.5
239.17934	6.8
241.19617	0.9
249.16364	1.5
250.17107	1.2
251.17931	12.8
252.18677	1.6
253.17160	0.6
253.19493	3.1
263.17883	2.1
264.18723	0.8
265.19498	14.3
266.20087	1.8
277.19507	0.9
278.20322	1.2
279.21060	7.3
291.20956	0.8
292.21609	0.7
293.22574	2.5
300.71274	0.6
306.23441	0.6
321.25748	100.0
322.10562	0.6
322.26123	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	321.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.1
67.05505	31.4
69.07056	14.8
71.29372	6.3
79.05510	29.4
81.07043	46.1
91.05483	49.4
92.33096	6.4
93.07041	46.6
95.04955	8.5
95.08595	51.8
105.07027	90.5
107.08573	48.1
109.10202	15.7
117.07011	28.8
119.08561	51.3
121.10136	23.9
123.11709	8.6
126.05963	7.4
130.07835	8.3
131.08562	52.7
133.10126	34.1
135.11668	14.4
143.08617	9.0
145.10115	100.0
150.33879	6.8
157.10098	8.9
159.11678	60.1
171.11639	8.3
173.13242	12.3
201.16373	80.3
229.26312	6.8
250.67792	6.5
261.07474	9.7
264.06451	7.7
270.09955	7.3
279.14117	6.5
289.17923	12.8
322.10764	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	321.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.4
57.07066	1.2
67.05505	5.9
69.07066	5.2
71.64605	1.0
71.64966	0.6
79.05493	3.3
81.07056	10.3
81.49862	0.5
83.08617	3.1
91.05474	4.2
92.05830	0.8
93.07045	5.2
95.01895	0.5
95.04998	0.7
95.08044	0.8
95.08606	10.2
97.10149	0.7
105.06376	0.8
105.07034	10.2
107.08597	5.9
109.10146	5.0
109.78050	0.5
117.07019	3.0
119.08575	7.7
121.10138	5.3
123.11738	2.5
128.06206	1.3
129.07010	4.0
131.07707	0.7
131.08577	8.4
133.10110	5.1
135.11707	2.4
141.06969	1.8
142.07751	1.9
143.07494	0.6
143.08562	8.4
144.09297	1.6
144.53003	0.5
145.10123	11.8
146.10463	0.9
147.11722	2.9
149.13255	1.1
153.06961	1.1
154.07744	0.7
155.08557	5.7
156.09242	1.4
157.10117	7.3
159.10446	0.8
159.11699	13.7
160.12053	0.6
161.13248	2.6
162.66185	0.5
163.14796	0.9
165.06973	1.5
166.07666	0.7
167.08557	3.6
168.09285	1.7
169.10123	9.8
170.10773	1.0
171.11702	6.0
173.13271	7.4
175.14839	3.7
179.08521	2.4
180.09267	2.2
181.10120	9.7
182.10851	2.2
183.11691	8.9
185.13271	4.7
187.14835	5.7
189.12685	1.2
189.16331	0.7
193.10081	3.3
194.10973	2.7
195.11700	13.2
196.12366	2.4
197.13278	7.6
198.13805	0.5
199.14847	6.8
201.16328	1.1
207.11650	3.6
208.12393	2.8
209.13266	19.8
210.13806	1.6
211.14835	8.3
212.15282	0.8
213.16344	5.9
221.13229	2.8
222.13919	1.9
223.14819	18.1
224.15567	2.7
225.16399	6.5
226.16887	0.9
227.18004	3.1
235.14841	2.9
236.15457	2.1
237.16370	11.5
238.16910	1.4
239.17946	5.2
243.62093	0.6
249.16415	3.0
250.17004	1.7
251.17955	13.6
252.18616	2.1
253.19547	2.3
263.17932	4.0
264.18552	1.8
265.19522	22.7
266.20102	1.9
268.91068	0.6
277.19437	1.3
278.20264	3.3
279.21069	12.9
280.21289	1.2
291.21005	2.0
292.21521	0.6
293.22574	2.3
306.23239	1.7
321.22269	5.3
321.25729	100.0
322.10739	0.7
322.26089	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	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05529	0.3
56.96560	2.5
57.03445	0.5
58.99614	0.2
58.99880	0.9
61.02937	0.6
68.98296	0.6
69.03430	1.3
69.73052	0.6
69.73476	0.9
70.06605	0.8
70.99877	0.5
71.05003	0.3
72.08172	0.4
73.02930	0.6
77.00913	0.7
81.03426	0.8
82.99883	1.1
83.04986	0.5
84.08138	0.3
84.96025	0.5
85.01431	0.4
85.02896	1.9
86.99336	0.6
87.04469	0.3
89.00890	0.4
91.02453	0.7
94.99854	0.6
97.01420	0.6
97.02892	2.1
98.97585	3.8
100.00134	0.2
101.00874	10.2
102.01000	0.5
102.96855	0.3
103.02447	1.8
105.00378	0.9
109.01405	0.3
110.97584	0.8
112.05090	0.7
112.99147	1.9
113.00877	3.7
113.03496	0.4
115.02427	9.8
116.02496	0.3
116.98624	2.0
117.04016	2.1
118.01125	0.6
118.69796	0.3
119.01918	28.5
120.01981	1.3
121.01640	0.4
121.03493	1.0
125.00915	0.4
127.02458	1.3
127.03900	0.3
128.98598	1.1
129.00308	0.3
129.03976	2.1
129.10271	0.2
130.02917	0.4
131.00333	2.3
131.01901	16.4
131.69528	0.2
132.02011	0.7
133.03465	34.9
134.03543	1.9
134.99602	0.7
135.03160	0.7
135.05011	3.0
137.00870	1.0
137.02936	5.2
138.01636	0.5
139.02429	0.6
139.03471	0.6
141.03941	1.9
141.06573	0.2
142.03494	0.9
143.00191	0.5
143.01888	9.3
144.01970	0.4
144.99828	0.8
145.03459	9.9
146.03529	0.5
146.99666	1.1
147.01382	1.3
147.03275	0.6
147.05011	3.5
149.01250	1.2
149.02960	2.9
151.03427	0.5
151.04523	5.5
152.04520	0.3
153.00546	0.3
153.04039	0.6
154.03482	0.3
154.50133	0.3
155.01895	13.6
155.05495	0.4
156.02748	2.9
156.05029	0.8
157.03476	6.5
158.99632	0.9
159.01350	0.6
159.05035	16.4
160.05092	0.9
160.09674	0.4
161.02957	14.0
161.06598	0.7
162.03110	0.7
163.03000	0.4
163.04507	3.0
165.00551	0.3
165.04001	0.5
167.01941	0.7
167.03979	0.3
168.05571	0.7
168.55736	0.3
168.99792	1.8
169.03452	1.2
170.99689	0.4
171.01360	1.2
171.05032	13.5
172.05168	0.6
173.02954	17.0
173.06561	2.6
174.03192	1.0
175.02997	0.4
175.04533	4.8
177.00716	1.2
177.02426	0.8
177.04362	1.1
177.06049	7.5
178.04887	0.6
178.06270	0.4
179.01929	1.3
179.04080	0.3
180.04489	0.3
181.03528	0.2
182.06630	0.4
183.03415	0.4
183.05029	5.4
184.04494	0.6
185.02924	3.9
185.04597	0.3
185.04988	0.3
185.06534	2.4
186.99294	0.5
187.00882	5.8
187.02614	0.5
187.04449	1.9
188.01126	0.4
189.00742	0.8
189.02431	2.3
189.06070	8.1
190.02618	0.4
190.06189	0.5
191.02293	0.3
191.03979	3.3
191.05772	0.4
191.07643	0.7
193.03600	1.2
194.06557	0.3
195.05161	1.1
195.07126	2.9
196.02145	0.2
196.04491	0.7
196.99385	1.2
197.02974	4.7
197.06595	1.0
198.03348	0.3
198.06017	0.3
199.00870	0.3
199.04491	1.3
200.07495	0.4
201.00653	1.0
201.02402	0.8
201.04414	0.3
201.06064	5.8
203.02249	0.2
203.03989	6.5
203.07645	1.5
204.03966	0.4
205.02048	1.4
205.03751	0.5
205.05573	0.8
207.01791	0.4
207.05098	0.4
209.03075	0.3
210.02414	0.4
211.01129	0.3
211.04610	1.7
212.07706	0.5
213.06085	3.2
215.00369	6.2
215.03883	0.5
216.00493	0.5
217.01944	0.5
218.06467	0.4
219.01762	1.9
219.03555	1.3
219.07141	17.5
220.07327	0.9
221.05061	25.8
222.05191	1.4
225.06082	0.8
226.05695	0.3
229.01961	2.8
229.05592	0.4
231.07130	19.6
232.07375	1.2
233.01416	0.5
233.05164	2.9
233.08687	3.4
235.06735	0.5
237.02744	1.9
238.01816	0.3
239.06096	0.7
239.57837	0.6
240.07556	1.0
240.57678	0.5
243.07111	2.4
244.06758	0.5
245.05067	18.1
245.08878	0.8
246.05219	1.0
247.03001	10.2
247.06738	0.5
248.03131	0.8
249.04515	0.3
249.08165	0.9
253.07741	0.3
255.07117	5.8
256.07367	0.5
259.06720	1.6
261.08200	17.6
262.08383	1.3
263.06241	1.2
263.09827	0.6
264.06198	0.3
265.03973	1.9
270.04575	0.6
273.05194	0.3
273.08197	5.8
274.08426	0.4
277.07666	0.3
279.09250	16.7
280.09436	1.3
285.08234	0.5
289.03857	1.1
291.09149	0.5
302.10785	0.9
303.09195	0.8
307.04907	0.4
320.60629	0.4
321.10587	100.0
321.60187	0.4
322.10461	6.1
324.71207	0.2
339.11511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85898	1.0
56.96557	4.4
69.03410	1.3
70.06573	1.6
70.49583	2.7
70.49989	2.3
81.03381	1.3
95.06075	1.3
97.02878	1.5
98.97587	5.9
101.00888	9.8
111.05560	4.6
112.99110	3.2
113.00856	3.7
115.02409	6.6
116.98599	2.5
119.01910	18.5
121.60709	1.2
123.05563	3.6
127.02360	1.4
128.98563	1.6
129.03984	2.4
131.00160	4.4
131.01891	13.6
133.03470	21.6
135.05019	1.2
137.02950	2.2
141.06560	7.8
143.01894	5.3
145.03438	6.5
147.04999	2.6
149.01201	2.7
149.02998	1.2
151.04497	2.6
151.79512	1.1
155.01875	8.2
156.02715	2.2
157.03461	5.0
158.99651	1.7
159.05014	9.2
159.06131	1.1
159.07603	7.5
160.27850	1.1
161.02936	7.4
171.05005	8.1
173.02927	8.8
173.06535	2.3
175.04480	3.4
177.06053	2.8
178.67128	1.2
183.05032	3.8
184.02110	1.6
185.02899	2.3
185.06656	1.8
187.00897	2.4
187.04506	1.7
189.02411	1.2
189.06055	3.4
191.03938	3.8
195.07144	1.9
196.99252	1.8
197.02948	2.3
199.04517	1.8
201.00581	1.5
201.02370	3.5
201.05991	2.5
203.04022	3.5
215.00345	3.3
217.05559	1.2
219.03650	5.9
219.07117	12.0
221.03357	1.3
221.05106	13.2
229.01817	1.2
231.07121	11.8
233.05087	2.7
233.08719	2.2
237.02812	1.1
239.06119	1.3
243.07115	1.3
245.05046	11.8
247.03070	7.6
249.04759	1.2
249.08142	6.4
255.07159	4.6
259.06598	1.7
261.05496	1.5
261.08093	7.2
267.09201	2.8
273.08151	4.0
275.09787	2.1
279.09280	8.3
289.04025	2.5
291.09250	4.5
303.09470	1.6
308.81769	1.1
321.11340	100.0
322.05527	2.6
322.10446	1.7
327.09805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48679	1.0
55.01859	3.0
55.05491	2.2
61.01136	2.8
61.62605	0.9
64.22891	0.9
67.05490	4.3
71.26543	1.7
73.02904	2.6
77.00626	23.3
78.13802	0.9
79.05475	3.8
81.07064	5.5
83.08604	1.3
85.06575	1.1
89.00620	1.1
91.05479	5.9
93.07021	4.2
95.04954	2.6
95.08588	3.7
103.05473	1.6
105.00089	5.6
105.07021	11.7
107.04951	1.9
107.08582	3.4
115.05444	2.7
117.07015	4.8
119.08582	3.3
121.02851	1.8
121.06476	2.4
128.06212	7.1
129.06982	13.3
131.08556	10.2
133.10123	2.7
135.04411	1.0
135.11685	1.6
141.06960	10.0
142.07776	42.8
143.08571	24.8
144.09322	4.0
145.06491	4.1
145.10129	6.3
147.08084	1.1
147.11624	1.4
149.05962	1.4
153.06989	10.0
154.07747	4.5
155.08545	24.9
156.09341	6.3
157.10124	100.0
158.10901	7.0
159.08075	4.6
159.11703	12.3
161.09628	1.9
165.06979	2.4
166.07739	2.3
167.08572	4.3
167.85048	1.0
168.09341	35.8
169.10127	20.0
170.10725	3.1
171.11661	6.0
173.04277	1.6
173.05971	2.7
173.09657	1.5
173.13234	3.0
175.11195	1.7
181.10094	8.4
182.11000	1.6
183.08134	2.3
183.11693	80.3
184.12305	9.6
185.13254	28.9
186.05052	1.1
187.07507	3.2
187.11238	8.7
193.10139	3.3
195.11703	2.7
196.08788	1.7
196.12453	2.1
197.09552	1.0
199.11174	14.6
200.06491	1.8
201.07361	1.8
201.08987	1.3
201.12761	8.3
211.11154	11.8
215.08853	4.5
215.10725	1.9
216.09470	1.2
216.11455	2.2
217.12271	4.3
227.10623	1.9
229.10469	5.0
229.12262	67.8
230.12650	2.4
233.09546	1.8
247.13420	2.8
249.09357	1.5
257.09946	2.1
261.09225	1.1
262.10370	1.3
263.06915	1.8
265.12256	1.3
275.11011	10.5
276.11292	1.2
278.09369	3.3
279.05334	1.6
293.11920	2.5
303.10498	2.0
315.40588	1.1
321.06412	3.4
321.11514	33.5
322.07092	3.8
322.11108	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53738	1.1
56.96560	12.6
57.90328	1.3
58.99851	3.2
61.02918	2.8
69.03432	2.7
69.19695	1.2
70.99872	1.4
71.31824	1.4
71.40990	2.1
73.01426	1.2
77.00900	5.7
77.21024	1.3
78.48872	1.4
81.03402	2.5
81.04536	3.8
82.05303	2.7
82.99843	1.7
84.96024	1.7
85.02904	6.5
86.99288	1.8
89.00914	2.0
91.02434	2.6
95.01917	2.6
95.06081	8.3
97.02884	2.7
98.97580	17.2
101.00867	22.2
103.02458	2.0
105.00401	1.7
109.02859	3.4
110.97601	2.5
111.05559	20.1
112.52396	1.1
112.89628	7.4
112.99116	2.3
113.00860	3.7
114.77676	1.2
115.02434	9.4
116.98623	11.9
118.01122	5.0
119.01915	67.4
120.02017	2.1
121.03510	1.5
123.05555	19.5
124.99112	1.7
126.02699	2.2
127.02413	2.9
128.98616	8.1
129.03996	1.4
131.00259	2.9
131.01900	26.2
132.02711	1.3
133.03462	40.0
134.99680	5.3
137.02951	10.7
139.02415	2.5
140.98576	1.3
141.05486	2.1
141.06577	40.4
142.01103	7.0
142.03481	2.9
143.00154	5.5
143.01924	9.0
145.03464	26.4
146.99663	6.8
147.05058	6.8
149.02948	5.7
151.04520	5.0
155.01901	3.6
157.03465	14.9
158.99673	5.4
159.01367	4.3
159.07642	29.3
160.02164	9.5
160.04617	1.3
161.01270	6.4
161.02972	13.8
163.04535	6.8
165.00722	1.5
167.01917	1.8
167.03995	1.8
168.03836	1.6
170.99681	3.8
171.01361	3.1
173.01350	2.6
173.02939	17.5
175.03056	1.3
175.04535	5.6
177.00726	9.9
177.02451	14.2
178.03908	1.8
185.01302	1.9
185.02847	6.0
187.04556	3.1
189.00703	5.6
189.02437	10.5
191.02348	2.0
191.03973	25.9
195.03548	2.0
201.00760	3.0
201.02431	42.4
202.02605	3.1
203.03960	11.7
205.05663	1.8
207.01814	2.5
209.05038	10.3
213.02502	2.9
215.04028	5.1
217.05606	1.8
219.01915	5.5
219.03514	100.0
220.03691	5.6
221.05034	25.9
221.06995	2.0
225.02760	2.6
231.03607	6.6
233.05080	5.8
237.02740	6.0
239.06096	32.7
240.05989	4.6
242.05151	8.8
249.04674	2.6
255.03879	2.1
261.04660	15.1
262.05301	17.0
263.06131	2.4
275.06146	4.4
277.07690	4.9
278.39810	1.4
279.03845	4.4
290.82022	1.3
293.07126	5.5
298.05045	1.9
303.05579	2.1
303.12048	1.3
306.04416	5.5
321.06677	70.5
322.06915	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	321.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81111	1.5
56.96564	21.7
57.03418	1.7
61.02906	1.9
61.77030	1.4
69.03426	2.0
70.06587	3.4
70.98096	1.7
71.62897	3.3
75.62110	1.6
81.03397	1.7
82.99843	2.3
84.08148	1.9
84.96012	1.8
85.02889	3.9
91.02459	3.1
91.05470	1.9
97.02872	2.9
98.97581	20.8
101.00869	28.5
103.02431	1.9
110.07157	1.6
110.97537	2.6
112.99139	1.7
113.00861	4.7
114.42322	1.5
115.02439	15.6
116.98621	11.4
117.03975	3.7
119.01920	100.0
120.02002	2.5
128.98601	4.7
129.03952	3.6
131.00177	5.7
131.01894	25.8
131.05406	1.5
133.01746	2.1
133.03470	34.5
134.99646	4.5
135.05066	2.9
137.02957	25.8
142.03476	2.6
143.00145	3.2
143.01869	13.6
144.99759	3.0
145.03453	11.1
145.05037	2.1
146.99670	3.7
147.01416	1.9
147.05003	5.2
149.01224	3.2
149.02940	6.4
151.04524	6.5
155.01857	9.3
157.03477	5.0
158.99699	7.4
159.03329	2.1
159.05017	10.2
161.01169	2.1
161.01605	2.2
161.02966	23.0
163.04008	2.7
168.99818	10.8
170.99704	2.5
171.01389	4.3
171.05060	9.8
173.01454	1.7
173.02966	20.4
173.06587	2.1
175.04527	5.0
177.00699	6.8
177.02382	3.6
177.04335	3.2
177.06023	4.6
183.01491	1.6
183.05063	1.9
185.03003	2.7
186.99309	3.3
187.00876	37.2
189.00774	2.5
189.02434	15.9
189.03987	2.5
189.06024	11.8
191.02390	2.7
191.04028	15.9
193.00325	3.0
193.03734	1.5
196.99333	8.9
201.00708	2.6
201.02422	6.9
201.06065	2.9
203.03932	3.9
203.07526	1.6
205.01942	13.8
207.01732	3.3
207.03523	2.4
213.06107	1.9
215.00357	43.1
215.01897	1.8
216.00620	1.9
217.01891	2.8
219.01691	7.1
219.03659	9.1
219.07132	3.3
221.05092	12.4
229.01935	19.5
231.01585	1.9
231.03642	1.8
231.07187	2.8
232.99380	1.7
233.01422	5.6
233.05061	17.7
237.02834	7.0
238.01833	2.2
239.22980	1.6
243.07281	1.9
245.04936	4.2
247.03004	66.6
248.03006	2.4
249.04539	5.0
249.08354	1.9
261.04755	3.4
261.08185	17.0
265.03925	11.8
270.04608	4.7
279.05740	4.5
279.09244	22.7
289.04068	11.5
321.06540	8.7
321.10660	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76958	1.7
55.01865	3.5
55.05493	2.1
56.05001	1.9
56.96557	14.9
57.03435	4.5
60.04520	4.8
61.02923	3.2
67.05501	4.1
69.03416	6.9
69.07059	7.3
69.61463	1.8
70.04486	9.0
70.06590	17.7
71.04998	5.5
72.08174	2.3
73.02906	2.9
74.06058	4.0
81.03420	6.2
83.04986	2.2
84.04500	6.1
84.08152	3.1
84.96033	2.8
85.02908	16.9
86.09692	18.6
91.05470	3.1
94.06571	8.9
95.04954	6.9
96.04493	6.8
96.08116	2.4
97.02872	6.8
97.06529	3.5
98.06065	9.1
98.21465	2.0
98.97567	17.9
102.05554	2.1
106.06526	1.8
107.04931	2.3
109.02871	2.5
110.97604	2.8
112.07590	9.1
113.06004	2.3
114.05513	15.8
116.07119	3.0
116.98619	12.5
119.01926	2.3
120.06622	2.2
123.04435	6.1
127.03910	3.4
128.98573	5.1
131.00121	2.4
134.99657	5.1
136.07520	2.9
137.05884	2.6
138.09114	8.5
140.05948	2.7
140.07047	53.3
141.05467	3.8
145.04897	2.9
146.99638	2.2
147.04422	3.4
158.08115	100.0
158.99666	4.8
161.01128	3.2
164.07040	2.0
165.05444	2.4
165.06783	2.1
165.98961	2.0
170.99760	2.3
173.02821	1.7
173.12857	14.6
177.00706	7.2
182.08243	2.0
186.07576	2.3
196.39966	1.9
201.12372	4.2
218.02202	2.0
219.01686	3.0
224.91956	1.9
233.03304	2.1
234.99020	2.8
237.02824	9.6
240.12328	3.3
243.08235	1.9
258.13281	8.7
279.07529	6.8
297.08728	3.9
302.12640	1.8
320.07825	2.1
320.13446	4.4
321.08600	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	319.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.05510	18.3
57.07065	4.3
65.03927	2.8
67.05503	36.0
69.03429	1.4
69.07069	15.8
71.66003	1.3
71.66388	1.8
73.06556	1.6
79.05491	75.9
79.05954	3.7
81.06570	2.9
81.07053	55.9
83.08607	8.1
85.06559	1.9
85.08124	1.3
89.06028	1.7
91.05487	26.7
93.07040	100.0
94.07381	2.0
95.04956	5.5
95.08606	39.1
95.09213	2.1
97.06532	3.7
97.10133	3.7
105.07026	13.8
107.08591	58.0
107.78333	1.5
109.06554	1.7
109.10161	17.7
111.08074	1.6
111.11734	1.6
117.07011	3.4
119.08585	11.6
121.09447	0.9
121.10142	52.5
123.11699	4.9
131.08546	5.5
133.10114	10.1
135.11693	54.7
137.13245	2.2
145.10143	5.1
147.11743	6.8
149.09694	2.6
149.13255	36.8
159.11633	7.2
161.13318	2.5
163.14786	15.4
171.11707	2.4
173.13274	4.2
177.16423	4.0
187.14839	3.1
191.14293	2.2
194.34344	1.5
199.14859	2.6
237.18523	2.7
249.18658	1.9
256.61041	1.5
260.07043	3.5
277.21844	2.1
287.23792	6.4
314.97745	1.9
319.26395	55.9
320.09207	4.5
320.26324	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	320.0916
Annotation	Zanthoxyline
Peak:m/z	Relative Intensity
53.57710	0.1
71.65053	0.1
109.99437	0.1
119.08585	0.1
176.06175	0.1
193.08762	0.1
203.07236	0.5
204.05743	0.1
204.08110	0.1
206.06099	0.2
207.06741	0.1
218.05890	0.1
219.06807	0.2
220.07515	0.7
221.08311	0.2
231.06830	0.6
232.07529	1.1
234.05487	0.9
235.06140	0.4
236.06926	0.1
246.05476	0.2
247.06134	0.4
248.07069	1.6
249.07834	3.9
250.07909	0.1
251.05695	0.3
258.05533	0.2
259.06256	3.2
260.07040	66.1
261.07416	2.1
262.04990	2.2
263.05676	0.3
264.06351	0.1
274.05118	0.1
275.05728	0.7
276.06528	35.1
277.07214	4.4
278.07590	0.1
286.04999	1.0
287.05563	0.1
288.06528	8.2
289.07062	0.5
290.04434	3.4
290.07611	0.1
291.05237	3.6
292.06003	19.5
293.06418	0.9
302.04434	1.3
304.06012	6.4
305.06790	15.0
306.07135	0.5
320.09137	100.0
321.09470	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	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.9
55.05504	1.6
56.05033	10.0
57.05807	1.7
60.05632	2.9
67.05496	3.1
69.03410	3.3
69.04537	1.6
69.07072	1.4
69.49133	4.2
69.49563	3.9
70.06581	5.0
71.04977	1.5
72.08129	1.0
75.14411	0.9
79.05483	2.1
81.07054	10.0
83.06097	4.0
84.08127	0.9
84.33527	1.0
85.02889	1.8
86.09715	1.2
87.04433	2.0
87.05589	1.2
91.05499	1.4
93.07024	2.5
95.05015	1.5
95.06096	2.8
95.08604	14.9
97.02885	2.8
97.06533	1.6
97.07708	0.8
98.09645	1.2
99.08070	1.7
105.05801	1.1
105.07019	1.5
106.06548	1.4
108.04449	1.6
109.06544	1.0
111.05563	8.5
112.08736	1.9
113.07116	6.1
120.04464	3.9
120.08115	0.9
123.05571	2.2
123.08056	19.1
125.05982	2.4
125.07072	1.2
126.06633	5.5
126.09138	2.8
127.07499	3.3
129.05464	1.5
130.03714	1.0
130.06512	1.7
132.04440	16.6
132.08080	2.2
133.04918	1.1
134.05991	4.7
137.04701	2.7
137.05946	1.3
138.09128	1.5
140.08179	3.8
141.09071	4.7
146.06013	1.1
148.03891	2.1
150.05507	9.4
151.06145	10.3
151.07533	20.2
151.08665	1.7
157.04959	1.7
157.12251	1.6
163.03934	1.4
165.06625	1.6
166.05006	3.1
169.04892	1.1
169.08606	3.8
175.06027	1.4
187.08675	3.9
189.06572	2.0
194.04446	1.2
197.57623	1.0
202.09833	5.1
203.08107	5.1
216.11331	1.0
230.09201	4.5
231.07645	35.0
232.10788	1.8
233.09009	1.5
233.14003	6.7
234.12250	1.1
242.09291	3.1
246.08630	1.1
255.12064	1.0
257.10345	5.1
259.11926	28.6
265.10779	1.7
273.04156	1.0
273.12360	1.5
277.12943	100.0
278.13251	2.3
283.11398	2.4
284.11475	5.0
301.11761	2.9
301.16656	1.9
302.12469	60.2
303.12805	1.4
319.15158	86.3
320.15421	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	319.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05500	1.6
57.03432	1.9
61.90646	1.1
67.05504	8.5
69.03414	2.6
69.07050	1.9
69.08839	1.1
70.06567	1.6
70.69951	3.7
72.08157	1.4
76.90833	1.1
79.05501	4.2
81.03437	1.4
81.07051	22.6
84.08151	2.1
85.02902	2.8
85.06488	2.0
86.09692	1.9
87.04478	3.8
91.05500	1.8
93.07021	4.4
95.04956	2.2
95.08602	35.5
97.02883	2.1
97.06524	5.3
99.04498	1.3
99.08073	4.2
105.07021	4.6
107.04937	1.2
107.08601	2.1
109.06489	3.2
120.08109	1.3
123.08065	56.4
124.08417	1.6
125.06010	5.8
126.28745	1.2
127.03913	1.3
127.07549	2.2
128.30431	1.1
129.05504	1.5
129.38327	1.3
133.04994	2.9
133.06468	3.4
136.18523	1.2
136.97386	1.0
141.09084	8.7
145.08620	1.4
151.07538	71.0
152.07930	2.8
157.04961	1.7
157.08646	1.6
160.63010	1.1
169.04950	3.7
169.08594	16.3
175.06023	4.6
177.05441	1.4
178.51433	1.2
183.09108	1.5
187.09625	11.1
198.07870	1.4
199.08597	1.3
199.12411	1.2
200.10692	1.9
209.10670	1.4
211.08623	1.2
212.09436	3.9
213.10172	4.7
217.01320	1.3
225.10229	2.9
226.10948	9.6
227.11844	12.1
228.10213	5.0
237.11182	1.4
241.06934	1.5
255.11284	7.6
265.10703	4.9
270.09988	19.9
271.10751	4.3
272.11469	12.4
273.12274	10.1
277.12943	3.4
283.11157	8.8
301.11838	100.0
302.12091	7.5
319.12823	30.8
319.16132	2.1
319.18848	1.8
320.13037	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83842	0.6
53.03936	0.7
55.05495	1.4
57.03440	1.0
57.85049	0.5
65.03951	3.0
67.05480	1.2
69.03419	1.2
69.07055	1.0
70.06569	1.0
70.22492	3.3
79.05512	1.5
81.03416	0.8
81.07051	2.8
85.02895	1.1
85.06508	0.7
86.09695	2.0
87.10059	0.6
91.05486	1.3
92.04996	2.3
93.07039	1.4
94.06561	1.3
95.05004	1.0
95.08568	0.7
96.08121	1.9
105.07045	1.0
107.04948	0.8
109.06496	0.8
110.06026	0.6
110.09795	0.8
120.08096	1.1
121.10105	0.8
122.06020	2.4
123.08006	1.0
124.07578	7.1
126.09151	15.8
133.02873	0.7
136.03889	0.9
138.05486	4.9
138.09134	14.9
139.11195	0.9
148.03914	1.8
151.07536	1.8
157.07600	2.4
166.04994	27.1
166.08641	1.9
171.09169	3.2
174.09180	0.9
176.03412	1.3
182.08426	0.7
183.09190	1.3
184.09949	2.6
189.07474	0.9
194.04482	12.4
194.08440	1.1
196.06042	0.7
197.07243	1.1
198.07866	1.8
199.08644	1.8
199.12296	3.5
200.10684	1.0
206.10234	0.8
209.10780	1.7
210.11559	0.9
211.08676	3.9
212.09436	4.8
213.10254	3.1
217.09769	0.8
225.10175	6.1
226.10980	11.9
227.11789	11.7
228.10191	5.5
228.12192	1.2
229.09853	0.9
231.07652	1.4
240.08760	1.0
241.09612	0.8
243.07681	7.2
245.12968	1.9
254.10641	0.8
255.11316	13.5
257.09174	2.1
270.10013	16.0
271.10757	11.8
272.09180	0.6
272.11536	33.4
273.03915	2.3
273.12320	36.3
274.12662	2.4
283.10757	13.1
284.11118	1.4
301.11829	100.0
302.12164	5.9
303.87164	0.8
319.04523	2.6
319.12878	19.2
319.15765	0.7
320.13007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1177
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03936	1.1
55.01859	1.3
57.07068	0.9
58.06600	1.8
65.03935	2.1
67.05498	3.3
67.34570	0.7
68.58622	0.8
71.64068	1.3
73.30623	0.8
79.05505	1.9
81.03423	1.1
81.07049	2.0
86.09708	1.1
87.80833	0.9
89.03897	2.3
91.05463	3.2
93.07034	1.8
95.04972	3.5
95.08606	1.4
97.02847	1.0
103.05450	1.1
105.07008	1.7
107.08610	1.2
108.02106	3.5
111.04412	1.1
117.03375	2.1
121.06508	3.8
124.44454	0.9
131.08559	1.0
131.24637	0.8
133.06494	1.0
134.03654	1.5
137.06001	6.1
138.09116	1.1
141.05457	3.9
149.05978	64.0
151.03909	78.0
151.05029	6.4
151.07582	2.5
152.06148	1.1
153.07004	8.4
155.08543	1.0
157.10097	1.8
165.05518	1.1
165.06987	1.6
167.07104	1.0
170.68924	0.9
177.05469	100.0
178.05862	0.9
181.06480	11.1
181.09976	1.1
182.04483	1.0
195.08061	2.3
197.06027	1.6
198.06731	1.5
205.06528	1.1
209.06100	3.6
213.05664	1.0
213.09151	5.6
223.07538	1.1
225.05563	1.7
226.06264	1.1
229.13632	0.8
237.09038	1.0
240.07820	2.2
241.08557	5.8
243.06366	1.2
251.06906	1.0
255.10223	3.1
257.12802	1.2
265.08566	1.0
269.08130	3.2
273.03967	9.0
273.11230	17.0
283.09601	5.3
301.10721	14.1
319.12726	5.2
319.19156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
57.03413	16.5
61.02911	28.9
69.03418	26.7
69.75640	60.5
70.06598	15.7
73.02903	18.1
74.05202	8.2
81.03394	8.3
84.95996	15.7
85.02888	31.3
87.04434	8.0
97.02867	17.6
98.97573	71.7
99.04423	12.6
100.99113	15.1
101.00835	11.7
109.02876	8.7
110.97531	18.3
112.99118	18.8
115.02446	9.1
116.98566	23.2
119.01855	39.2
124.95531	9.6
127.03930	14.8
128.02274	18.5
128.98584	31.1
131.00224	39.5
131.01881	33.5
133.03452	22.0
135.03127	15.9
140.98517	9.6
143.00128	11.1
145.03452	13.7
146.99629	16.3
149.01198	23.6
155.01970	10.2
157.03450	19.0
158.99593	11.2
161.02834	9.9
163.02824	10.2
169.09691	10.1
170.99556	8.5
175.01277	10.7
175.02737	18.9
177.00664	13.5
178.04857	11.3
187.02777	8.5
189.00629	8.4
190.98636	13.8
192.02782	10.8
193.00208	11.4
193.03822	10.0
199.00865	10.2
203.03949	15.9
208.99670	10.2
213.03336	11.3
214.56161	15.7
219.01735	14.7
228.07567	19.8
228.57773	41.3
229.06400	16.4
237.02744	17.5
245.01402	12.3
249.08089	10.2
250.64867	9.9
265.05914	24.8
277.04291	8.3
283.06915	24.9
287.02444	11.0
291.09219	9.4
301.11673	9.8
319.07928	91.2
319.13260	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	319.0444
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
51.36370	0.3
55.01865	0.4
65.03923	0.4
67.05473	0.4
68.99432	0.3
68.99783	4.4
69.07048	0.3
69.49856	1.1
69.50292	1.5
75.11189	0.3
81.03404	0.4
91.05447	0.3
93.03394	0.3
103.05422	0.4
105.07013	0.7
107.08572	0.5
109.02856	1.1
109.10134	0.6
111.00805	0.8
115.05433	1.1
121.02862	0.9
131.04858	0.5
133.06474	0.5
137.01335	0.5
137.02328	6.8
137.03386	0.4
138.40939	0.3
143.04898	0.3
145.06506	0.4
147.04382	0.6
149.02335	0.7
153.01804	0.5
155.04837	0.6
159.04390	0.3
161.05972	1.1
163.03979	0.5
165.01819	6.0
169.01334	0.3
171.04382	2.2
173.05942	0.5
175.03828	0.5
177.05453	1.4
181.01309	0.4
183.02960	0.7
183.04405	0.6
187.03813	0.5
187.07576	0.5
189.05420	1.6
199.03893	1.6
201.05379	1.1
203.03362	1.5
209.00768	0.5
217.04945	1.4
227.03351	6.1
229.04977	3.3
233.08444	0.3
245.04425	4.5
247.06029	1.3
255.02888	5.5
256.03571	1.0
257.04434	5.0
258.05286	0.3
273.03918	100.0
274.04239	3.5
275.05444	2.3
283.10208	0.6
287.05588	0.9
299.13928	0.3
301.03412	0.9
301.11447	1.3
319.04520	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
53.32498	2.2
55.01865	3.2
55.05502	4.4
56.96559	2.7
57.03418	6.2
58.06580	2.6
61.02930	12.1
69.03416	21.9
69.07056	3.8
70.06577	7.9
71.00984	5.3
71.01322	3.5
71.04987	3.5
72.08148	2.6
73.02913	3.7
79.05502	2.1
81.03406	9.9
81.07053	6.1
83.04967	4.7
84.04488	4.8
84.08132	3.8
85.02901	100.0
86.09717	23.5
86.41405	2.0
87.04468	3.4
88.03972	2.7
91.03934	5.9
91.05450	2.3
93.07024	3.9
95.04958	2.2
95.08595	7.5
97.02885	27.7
98.97538	5.3
99.04452	7.3
109.02857	4.1
110.09665	2.3
111.04446	3.7
121.05646	4.7
121.06499	67.2
123.08073	5.4
124.03957	3.5
125.02382	13.7
126.02705	4.9
127.03904	24.3
130.08728	2.6
132.10236	3.6
138.05490	9.6
138.09142	5.5
139.03885	7.8
140.04213	3.8
141.06628	4.8
145.04947	29.2
151.07529	9.0
153.01761	4.4
154.02116	2.9
156.06554	5.7
156.10181	10.6
159.07719	7.5
161.02989	2.3
163.05986	5.2
180.06665	2.0
180.08658	14.6
187.07486	12.9
201.12425	13.4
205.08630	5.3
229.08601	2.7
229.11751	2.5
247.09724	3.7
254.07347	2.8
265.10477	3.0
309.31204	3.0
318.06763	3.0
318.15878	2.0
318.21338	3.4
319.13593	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	318.17
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.01863	0.6
57.03431	0.4
58.06589	0.9
59.04977	0.4
67.05478	0.7
69.03413	1.3
69.07068	0.7
70.06599	2.3
70.54088	0.4
71.04967	0.5
71.08118	0.4
71.08479	1.1
78.41806	0.4
78.48569	0.3
81.07041	1.5
83.04973	1.6
84.08147	1.0
85.02876	0.5
86.09691	1.5
87.04492	0.5
90.59724	0.4
95.04977	0.6
95.08596	1.8
97.02879	1.8
98.03239	0.6
107.76599	0.4
111.04423	0.9
111.42506	0.4
112.04839	0.5
119.04975	0.5
120.08073	0.4
123.08069	3.0
125.02355	3.0
126.02701	2.3
129.10248	0.5
130.06519	0.8
134.06081	0.5
138.05452	0.7
138.09117	0.6
139.03912	2.1
140.04228	1.4
141.09079	0.5
151.07532	3.4
153.01788	0.8
154.02190	0.9
156.08040	0.5
156.10179	2.2
169.08492	0.7
169.09805	0.9
175.06010	0.4
175.07475	0.4
176.16510	0.4
185.09630	0.5
186.09131	1.2
187.09796	0.5
188.07065	0.8
189.09096	2.4
190.08554	0.4
192.10220	0.5
195.07980	0.4
197.09673	0.6
199.07330	0.5
200.08443	0.8
201.09056	1.1
202.08551	4.2
202.10046	0.4
203.09392	1.2
208.01308	0.5
209.05695	0.5
209.09653	0.6
210.10622	0.4
211.09702	0.5
212.08443	0.8
212.10609	0.4
213.09167	0.6
214.08659	1.4
215.10733	0.9
215.84012	0.4
216.10219	1.0
218.11743	1.4
224.10519	0.6
225.09108	0.5
226.09972	0.8
226.12146	0.5
227.10832	0.9
228.10126	3.5
229.10768	2.1
230.11752	0.4
239.10738	1.0
240.05898	0.6
240.11473	0.8
240.13828	0.4
241.08675	0.5
242.11771	2.3
244.13445	0.6
252.11427	0.6
253.08461	0.5
254.07356	0.7
255.13805	1.1
256.10974	0.5
256.13425	1.4
268.10861	0.8
268.13440	0.5
271.13373	2.3
277.12830	0.8
283.13364	1.3
283.46680	0.5
284.12808	1.8
300.15952	100.0
301.11237	0.6
301.16360	3.6
318.13089	0.7
318.17023	1.9
319.15149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01855	0.8
55.05493	0.9
56.05016	0.4
57.03440	1.3
58.06554	0.4
60.04515	0.9
61.02913	1.4
61.04029	0.3
65.03957	0.3
67.05495	1.3
69.03074	0.4
69.03427	4.9
69.07069	2.7
69.52493	2.5
70.06585	1.9
70.07391	1.0
71.04983	0.8
71.31519	0.3
71.56249	0.2
72.08142	1.0
73.02899	0.5
79.05494	0.6
80.05036	0.4
80.23209	0.3
81.03392	1.7
81.07053	2.3
81.19305	0.3
82.06560	0.8
83.04978	0.9
84.04503	0.3
84.08133	1.2
84.44474	0.3
85.02901	7.9
86.09699	3.5
87.04462	1.0
87.05566	0.6
91.05479	0.8
93.07050	1.7
95.04946	0.7
95.08607	3.8
96.04472	2.9
96.08121	1.8
97.02892	3.4
97.05280	1.8
97.06544	1.4
99.04436	1.3
100.07610	1.4
107.04927	0.4
107.08563	0.4
108.08108	0.4
109.02855	1.2
109.06490	0.8
110.06042	5.9
110.09682	4.1
111.08079	0.9
115.07578	0.4
120.08076	1.1
121.02860	0.7
121.06476	1.0
123.08063	3.4
124.07500	0.3
125.08349	0.8
126.09153	8.5
127.03909	2.2
127.06055	0.3
127.07574	0.3
128.10742	0.5
129.05391	0.3
135.07953	0.3
138.05507	0.4
138.09135	21.7
139.03801	0.3
139.07550	1.4
141.09116	0.5
145.04961	0.7
145.08560	0.3
150.09116	0.3
151.03885	0.4
151.07552	4.1
152.10666	0.5
156.10194	100.0
157.04990	0.5
157.10522	2.6
168.10219	1.6
169.08627	0.8
173.12859	3.2
175.06030	1.1
176.07130	0.5
178.08626	1.1
180.10229	0.6
187.09641	0.6
192.10181	0.8
195.08034	0.4
198.11203	0.6
201.12358	1.0
218.07138	0.3
222.11234	0.5
231.07649	0.4
231.09888	0.3
237.09103	0.4
239.07404	0.3
273.03900	0.7
277.12958	0.9
277.38129	0.3
287.21475	0.3
288.10754	0.4
300.15909	2.0
301.11902	1.5
318.17126	3.9
319.15616	0.5
342.90192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03947	2.7
55.01869	3.6
55.05519	16.6
57.07068	9.2
59.04990	5.9
63.51358	2.3
64.50917	2.3
65.03925	2.6
67.05504	66.6
69.03408	6.5
69.07058	8.1
70.06590	8.7
71.04988	5.4
71.08575	2.3
71.22424	4.7
71.22767	3.7
79.05508	12.9
81.07059	33.2
81.43860	2.1
83.04961	4.2
83.08619	5.4
85.06526	5.8
88.07623	10.4
90.02107	2.0
91.05469	22.2
93.07038	20.8
95.04963	35.1
95.08601	27.7
97.06509	6.3
101.55071	2.3
102.09161	5.5
105.07020	20.0
107.04897	2.6
107.08583	47.2
109.06510	23.5
109.10154	100.0
117.07022	4.8
119.08578	60.1
121.06513	6.4
121.10142	6.2
123.08077	34.9
125.09554	2.2
129.06935	2.3
131.08543	7.8
133.06476	5.0
133.10083	14.6
135.08055	15.7
135.11644	3.3
137.05981	2.3
137.09612	85.2
139.07530	2.5
143.08560	4.9
145.10126	10.7
147.08017	6.0
147.11673	6.0
149.09584	5.9
151.07544	68.2
152.07870	2.6
153.05388	5.2
153.09145	3.8
155.08536	2.9
156.09352	4.2
157.10146	5.1
159.08052	4.1
159.11711	7.2
161.09636	13.3
163.07524	3.2
163.11139	6.1
165.09146	5.0
167.07083	3.2
169.10069	2.9
170.63185	2.0
171.11684	6.3
173.09541	3.0
173.13293	3.9
175.11218	5.8
177.09134	3.6
181.08601	8.5
181.12076	3.0
183.11685	4.0
185.13396	2.7
189.12749	36.6
191.10651	3.0
197.13211	2.4
199.11185	3.3
203.14227	2.9
207.13762	31.9
215.14362	4.4
221.15331	5.8
225.12665	2.5
233.15344	5.6
237.14905	6.4
241.15689	3.0
243.13799	9.6
256.26358	21.5
259.16931	3.0
261.14856	4.9
281.19022	4.8
299.20099	14.6
317.06552	4.1
317.21121	81.0
318.21420	7.7
318.30026	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05515	2.5
57.03429	1.3
57.07078	8.5
58.06590	2.3
67.05491	3.5
69.07061	3.2
70.06587	18.4
71.08604	3.0
71.64453	1.8
72.08137	1.3
79.05489	1.8
81.07056	4.3
83.04967	1.0
84.33890	1.1
84.95778	1.0
85.10172	2.1
88.07632	26.0
91.05479	3.6
93.07035	2.6
95.04996	2.1
95.08604	2.6
97.06551	6.4
102.09183	16.0
105.07004	7.0
107.08567	2.9
109.10142	3.7
117.07005	2.2
119.08569	5.7
121.10141	1.7
123.08033	1.3
128.06230	1.9
129.07019	2.7
131.08577	3.9
132.10211	1.3
133.10071	1.7
135.08022	1.5
141.06987	4.7
142.07747	1.7
143.08566	4.2
145.10149	2.8
147.08087	1.4
153.06999	3.8
154.07779	4.2
155.08551	30.2
156.09286	4.6
157.10139	5.2
159.08055	1.9
159.11697	12.9
165.07019	1.7
167.03477	1.8
167.08557	12.9
168.09303	4.2
169.10115	19.5
181.10190	2.1
182.10869	15.6
187.14745	1.2
197.13254	87.3
198.13580	1.8
199.11096	1.4
200.14366	1.5
212.23805	1.7
215.14339	3.9
230.24866	1.5
241.29329	1.2
256.26355	46.7
257.15250	1.9
271.05835	1.5
273.03638	1.3
273.14673	1.8
274.04562	2.9
285.18845	1.4
300.29059	2.6
302.04239	1.9
317.06543	24.4
317.17294	3.6
317.21176	4.4
317.28040	4.1
318.06863	2.5
318.30023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.96307	1.8
53.30314	1.8
55.01852	3.5
55.05512	15.2
55.94208	1.8
56.05024	2.4
57.07086	11.6
59.04986	5.4
60.04257	2.7
60.04528	38.2
61.04863	5.5
65.03936	2.5
67.05502	55.3
69.03421	5.5
69.07060	6.6
69.69637	2.0
69.80524	13.7
70.06577	6.6
71.04979	5.5
74.03337	2.0
76.07673	1.8
79.05502	12.5
81.07056	38.2
83.04958	2.5
83.08614	2.4
85.06528	3.8
87.04425	2.0
88.07626	10.0
91.05478	22.7
93.07046	25.0
95.04965	29.1
95.08602	26.1
96.08933	2.7
97.06516	5.9
102.09180	3.1
105.07029	19.6
107.08592	41.7
109.06509	19.3
109.10155	100.0
110.10479	3.2
111.04392	2.8
111.72352	1.8
117.07034	5.3
119.08579	65.8
121.06515	6.9
121.10188	9.5
123.08073	28.3
131.08575	9.3
133.06520	3.9
133.10138	11.9
135.08047	13.3
135.11679	2.5
137.05994	3.1
137.09613	83.9
138.09990	3.9
141.06987	3.2
143.08534	3.9
145.10115	6.9
147.08040	7.4
147.11632	3.6
149.09631	5.6
151.07550	66.5
152.07927	2.3
153.05453	7.0
153.06775	1.6
155.08562	2.9
156.09315	5.1
157.10069	4.1
159.08076	4.2
159.11662	6.2
161.09540	10.4
161.13214	4.2
163.11255	5.2
165.09108	7.0
166.98451	1.8
167.07076	3.7
169.10210	2.4
171.11699	5.3
173.09555	2.1
173.13300	2.8
175.11238	3.5
177.09113	3.7
181.08636	5.9
182.10863	2.5
183.11577	2.0
189.12738	29.3
191.10571	1.9
192.11333	3.0
197.13274	3.4
199.11180	3.8
203.14383	3.5
207.13768	26.7
213.12770	2.0
215.14349	4.5
217.12317	3.2
219.13957	3.3
221.15326	4.8
233.02979	1.8
233.15340	2.2
237.14877	7.8
243.13812	10.5
256.26337	13.9
261.14813	3.5
281.19174	2.4
281.26733	7.4
299.20117	12.3
299.27771	5.4
317.06583	5.9
317.17380	4.1
317.21130	74.0
317.28799	13.7
318.21649	7.9
318.30042	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	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
56.62967	0.9
67.05503	2.2
70.37638	4.4
79.05515	2.7
81.07049	4.3
82.02097	0.9
83.04956	1.1
83.60383	1.0
91.05478	5.8
92.57964	0.9
93.07048	3.6
95.04997	2.1
95.08595	3.0
97.06544	4.1
105.07033	10.3
107.08603	3.1
109.06508	1.3
115.05508	1.6
117.06994	2.5
119.08591	7.9
121.06544	2.4
121.10129	2.1
128.06256	2.8
129.06993	5.4
131.08562	6.9
133.10141	2.0
135.08025	1.2
141.06975	8.6
142.07751	9.9
143.08524	11.3
144.09329	1.7
145.06490	1.2
145.10130	8.4
147.11699	1.6
153.07014	4.0
154.07759	4.7
155.08545	39.0
156.09352	10.0
157.10115	15.0
157.11337	1.5
159.08064	3.8
159.11665	7.5
165.07059	3.2
166.07861	1.8
167.07193	0.7
167.08557	22.7
168.09349	5.3
169.10118	23.9
171.07988	2.1
171.11676	8.5
173.09613	2.3
181.10085	7.2
182.10910	24.4
183.11588	3.2
184.08882	1.9
185.09612	1.7
185.13301	1.9
187.11166	2.3
187.14832	2.7
195.11670	3.0
196.12509	2.6
197.13251	100.0
198.13567	2.5
199.11172	8.0
200.11758	1.2
201.12720	1.8
206.10895	1.8
211.14874	3.8
213.12825	2.2
214.13455	2.9
215.14285	13.5
221.13264	1.2
229.15889	1.4
239.14349	4.8
257.15369	27.7
317.06561	4.0
317.17419	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	317.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94324	0.4
53.03945	2.0
53.46580	0.4
53.58104	0.5
55.01875	0.6
55.05497	0.8
59.05004	0.6
68.02641	1.6
69.03427	10.5
70.06587	0.6
70.41257	1.8
71.04990	3.1
79.01846	3.4
81.03420	4.8
83.01340	2.2
83.04535	0.7
83.04982	7.9
85.02935	0.6
86.09717	0.6
87.04474	0.8
95.04953	0.6
96.16531	0.4
97.02888	25.3
99.04432	0.6
111.00203	0.5
111.04437	21.8
113.06010	3.6
115.03919	4.8
121.93375	0.4
123.35174	0.5
125.02349	100.0
126.02686	1.4
127.18275	0.5
133.04926	1.2
137.09703	0.5
139.03897	64.2
140.04259	0.9
141.05463	1.7
143.03380	1.2
153.01825	36.4
154.02179	0.5
157.04892	0.9
167.03394	3.9
167.08202	0.5
171.02904	7.3
184.55090	0.5
185.04454	11.2
185.06026	0.9
189.03983	0.7
195.06473	2.4
211.06000	0.8
223.06000	0.8
225.07576	1.0
239.05507	10.1
253.07076	19.3
255.08607	6.6
267.04895	1.3
271.08066	0.6
281.06543	9.0
285.06204	0.7
287.10400	0.7
299.07440	3.0
300.15994	0.9
317.06458	0.6
317.11978	0.9
317.21164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1131
Annotation	2,6-dimethoxybenzoylsalicylhydrazide
Peak:m/z	Relative Intensity
55.01898	0.6
55.05527	1.0
57.03464	0.8
61.74192	0.5
67.05531	1.6
69.03477	0.5
69.07069	2.9
69.51064	4.6
69.83498	0.5
71.05042	0.6
74.05709	0.5
79.05490	2.7
81.03456	0.5
81.07074	1.2
82.98645	0.4
83.01367	0.4
83.05017	0.8
83.08666	0.5
85.06564	0.5
87.32386	0.4
91.05513	1.5
93.07047	1.1
94.06570	0.6
95.05008	0.7
95.08649	1.5
95.22481	0.4
96.13300	0.4
97.06533	8.7
97.07114	0.6
103.05492	0.6
105.07076	1.9
106.06538	0.4
107.08656	1.5
109.06528	0.5
109.10220	1.1
115.05473	0.6
117.07034	0.7
119.08636	1.3
121.06482	0.5
121.10188	0.8
123.04454	0.7
128.06262	0.9
129.07039	1.4
131.04971	0.5
131.08517	0.7
133.10159	0.9
137.05963	0.8
142.07796	0.9
143.08577	1.1
145.06537	0.7
145.10162	1.3
149.05994	0.7
153.07007	1.0
155.08617	1.4
157.06491	0.7
157.10159	0.8
159.08144	0.6
159.11710	0.7
161.06039	0.5
161.09618	0.6
164.07115	1.4
167.03439	1.0
168.08090	0.7
169.06488	0.6
170.07384	0.6
170.09717	1.3
171.08125	0.8
173.05913	0.7
173.09770	0.8
175.07585	1.0
176.03525	1.0
179.03429	0.7
180.08130	1.2
181.07739	0.5
182.08415	4.6
182.95631	0.6
183.09315	0.8
184.07686	0.9
185.09686	1.1
187.07619	0.7
189.09148	1.0
195.05562	0.8
195.09364	0.6
196.10135	0.8
197.10767	10.9
198.09244	2.3
198.10851	0.5
199.11101	0.5
201.09105	1.9
202.09839	0.7
203.10669	4.5
207.09207	1.1
209.07030	2.9
210.07906	8.7
211.08818	0.6
212.09543	1.6
213.09027	0.6
215.10645	0.4
217.12268	1.1
219.10226	0.7
220.11002	0.5
221.11642	0.5
223.08595	0.7
224.09451	3.8
225.10234	28.1
226.10722	0.6
227.11847	0.8
229.12279	0.5
231.10213	0.9
238.07431	1.1
240.08899	4.4
241.09631	0.8
253.05826	0.5
253.09714	13.4
253.12210	1.0
253.15714	0.6
255.11394	3.8
255.13739	0.7
257.09180	0.8
268.08481	2.6
271.06177	0.9
271.10782	19.4
271.16803	0.8
273.14783	2.9
274.04675	1.1
281.09225	2.2
281.15381	0.6
299.10257	91.9
299.16168	2.7
300.10593	2.6
313.13440	0.5
317.06671	11.7
317.11295	100.0
317.17386	3.8
317.21243	2.7
318.07053	0.7
318.11655	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	317.0654
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
50.89077	0.2
51.38238	0.2
51.45917	0.2
58.94265	0.2
65.03923	0.5
67.01853	0.2
67.05492	0.3
69.03416	0.4
70.18202	0.2
79.05477	0.2
81.03417	0.4
81.07033	0.2
84.75629	0.2
93.03389	0.7
95.04961	1.5
97.06549	0.2
99.04423	0.3
105.07017	0.3
107.04915	0.3
109.02858	0.4
111.04440	0.4
121.02871	1.6
121.10164	0.2
123.00790	0.5
123.03553	0.4
123.04422	5.1
124.01574	1.6
125.02329	1.0
127.03940	0.2
128.06181	0.2
129.06947	0.2
134.03557	0.5
135.04382	0.4
137.02335	5.1
137.03406	0.3
139.03841	0.3
141.05432	0.3
144.05719	0.2
145.02840	0.4
145.06467	0.4
149.02348	0.6
150.03078	0.4
151.03885	1.7
153.05360	0.2
155.04884	0.6
159.08061	0.4
163.03905	1.0
167.03397	8.0
169.06477	0.2
172.05200	0.3
173.21637	0.2
179.03377	2.7
180.04068	0.4
183.04453	0.5
184.05180	0.4
187.07527	0.7
191.03386	0.2
193.05005	0.3
197.04446	1.1
197.06009	0.3
200.04646	1.1
201.05434	0.2
205.08569	0.3
209.04425	0.4
211.03990	0.3
213.05354	0.4
215.07021	2.7
217.04916	0.2
219.02870	0.3
228.04153	1.8
229.04779	0.3
229.27904	0.2
232.07011	0.2
233.08058	0.6
242.05801	0.3
243.06506	6.4
245.04585	0.3
255.02887	0.2
256.03751	0.8
257.04449	1.0
261.07523	0.9
271.06009	3.5
273.03937	1.1
274.04706	6.5
275.05038	0.3
288.06357	1.1
299.05365	1.4
302.04224	4.2
317.06540	100.0
318.06857	2.9
325.82251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.90072	0.2
55.01868	0.4
57.29235	0.2
65.03927	0.8
67.05487	0.3
68.99787	0.7
70.06584	0.3
71.64677	0.3
81.03403	0.3
81.07040	0.4
91.05469	0.4
92.02621	3.3
93.03413	2.4
93.07030	0.4
95.04951	0.3
97.06548	0.5
102.69421	0.2
105.06998	0.3
107.08516	0.3
107.66473	0.2
119.08572	0.3
121.02868	2.0
122.03638	0.4
125.02402	0.3
126.03133	1.0
128.56110	0.3
136.11122	0.2
137.02347	0.5
139.03906	1.7
149.02307	0.3
150.03098	0.4
151.03918	1.8
152.00990	0.3
153.01825	18.4
154.02194	0.3
155.04887	0.6
159.04515	0.2
163.03853	0.5
165.01845	1.0
167.07176	0.2
170.02135	0.4
173.05984	0.3
176.04729	0.3
177.05418	0.6
183.02841	0.3
187.03819	0.4
189.05568	0.2
189.79158	0.2
190.06201	0.3
200.04640	0.7
201.05428	1.6
203.03398	1.7
204.04265	0.3
217.04948	3.1
218.05722	1.1
219.02922	1.0
228.04131	3.6
229.04950	7.6
230.05334	0.3
231.02904	1.0
232.03531	0.4
239.03479	0.3
243.06548	0.4
245.04448	3.9
246.05235	3.3
255.10168	0.3
256.03738	0.4
257.04443	3.8
260.03152	0.9
261.07590	0.4
271.06055	0.4
273.03918	3.2
274.01697	0.3
274.04718	7.1
284.03128	0.8
285.03934	7.4
287.01831	0.6
287.10287	0.9
289.15567	0.4
301.03351	0.6
302.04211	21.6
303.04453	0.4
317.06549	100.0
318.06888	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.01860	0.3
65.03935	0.4
67.01855	0.4
67.05499	0.3
69.07043	0.3
70.00411	0.9
81.03393	0.5
81.07050	0.3
83.04958	0.2
85.00716	0.2
91.05455	0.3
92.02598	0.3
93.03393	0.6
95.04973	1.8
97.06516	0.6
99.04430	0.3
105.06995	0.2
107.04928	0.2
107.08543	0.2
109.02853	0.4
109.10105	0.2
110.03650	0.2
111.04446	0.4
119.08613	0.2
121.02852	1.6
123.00790	0.5
123.04430	4.9
124.00645	0.2
124.01552	2.0
125.02370	1.1
128.06192	0.2
129.07002	0.3
134.03642	0.7
135.04352	0.6
137.02336	4.9
137.03395	0.4
139.03897	0.3
141.05443	0.3
144.05692	0.3
145.02818	0.4
145.06454	0.2
149.02307	0.5
150.03104	0.6
150.13292	0.2
151.03900	1.4
153.01811	0.5
155.04892	0.7
159.08037	0.3
163.03906	1.1
167.03398	7.8
169.06447	0.2
172.05128	0.3
175.07526	0.2
179.03371	2.3
180.04144	0.5
183.04379	0.6
184.05168	0.4
187.03946	0.3
187.07516	0.5
191.06955	0.2
193.04979	0.3
194.30267	0.1
197.04434	1.2
197.05975	0.3
199.03996	0.3
200.04684	1.5
205.08633	0.3
209.04457	0.4
211.03821	0.2
211.07709	0.2
213.05493	0.5
215.06989	2.9
217.04988	0.2
219.02832	0.4
219.06465	0.2
221.04460	0.2
227.07031	0.2
228.04143	1.6
229.04880	0.3
231.06673	0.2
233.08035	0.4
242.05821	0.4
243.06534	6.5
245.04425	0.4
246.05197	0.4
253.04970	0.4
256.03677	1.0
257.04437	1.1
261.07565	1.0
271.05988	3.2
273.03867	1.2
274.04721	7.5
285.03891	0.3
288.06226	1.1
289.06879	0.2
299.05402	1.4
302.04147	4.1
313.82620	0.2
317.06543	100.0
318.06934	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	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
65.03928	0.6
67.01855	0.4
67.05495	0.3
68.99786	0.2
69.03417	0.1
70.20148	0.4
80.02630	0.1
81.03408	0.4
81.07027	0.1
81.42595	0.1
85.86544	0.1
91.05457	0.2
93.03394	0.8
93.63051	0.1
94.04185	0.1
95.04964	1.7
97.06517	0.2
97.38506	0.1
99.04417	0.1
107.04942	0.1
109.02861	0.5
110.03672	0.2
111.04444	0.4
119.04910	0.1
121.02850	1.7
122.03666	0.1
123.00800	0.6
123.04424	6.2
124.01563	2.0
125.02341	1.3
126.76486	0.1
127.03864	0.2
128.06226	0.2
129.06979	0.2
134.03642	0.6
135.04388	0.4
137.02335	6.0
137.03389	0.4
139.03903	0.4
141.05455	0.7
141.06999	0.1
144.05675	0.4
145.02875	0.5
145.06441	0.2
149.02342	0.8
150.03143	0.5
151.03896	2.1
155.04922	0.7
159.02130	0.1
159.08034	0.3
161.05977	0.2
163.03915	1.1
165.01820	0.1
167.03391	8.9
168.03775	0.1
169.06487	0.2
172.05190	0.4
173.02383	0.1
173.05988	0.2
179.03386	3.1
180.04109	0.5
182.03654	0.1
183.04427	0.8
184.05147	0.5
185.04434	0.2
185.05890	0.2
187.05937	0.1
187.07491	0.8
191.03351	0.3
193.04959	0.4
197.04427	1.4
197.06055	0.2
197.13353	0.2
199.03952	0.1
200.04651	1.8
201.05447	0.3
205.08563	0.2
207.02907	0.3
209.04478	0.5
211.03885	0.2
212.04655	0.1
213.05470	0.3
215.07014	3.3
217.05025	0.1
218.05811	0.1
219.02910	0.3
219.06468	0.2
222.58034	0.1
225.05505	0.2
227.03529	0.2
227.07022	0.2
228.04134	1.8
229.04865	0.3
233.08051	0.5
239.03510	0.1
242.05783	0.2
243.06523	7.4
244.06947	0.2
245.04385	0.2
246.05127	0.2
253.04906	0.2
256.03622	0.9
257.04446	1.3
260.06732	0.1
261.07544	0.9
262.17673	0.1
270.05231	0.1
271.03006	0.2
271.06006	3.7
273.03888	1.2
274.04703	7.8
275.05020	0.2
284.03125	0.2
288.06219	1.3
289.06827	0.2
299.05466	1.5
300.06305	0.2
302.04196	3.7
303.04507	0.2
317.06531	100.0
318.06879	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	317.0656
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
54.91650	0.2
55.03855	0.1
65.03937	0.4
67.01849	0.2
67.05495	0.3
69.07068	0.3
69.59789	0.2
70.27990	0.8
79.05500	0.2
81.03399	0.4
91.05457	0.2
93.03389	0.6
93.07055	0.2
95.04982	1.6
97.06519	0.5
97.84727	0.1
105.03410	0.2
107.04926	0.2
109.02864	0.5
110.85064	0.1
111.04453	0.5
121.02859	1.6
123.00777	0.5
123.03553	0.3
123.04423	5.0
124.01556	1.4
125.02353	1.1
128.06201	0.2
131.08511	0.2
133.02838	0.2
134.03636	0.6
134.77370	0.2
135.04391	0.3
137.01350	0.3
137.02335	5.0
137.03381	0.3
139.03876	0.3
140.04640	0.2
141.05435	0.7
143.08511	0.2
144.05699	0.4
145.02849	0.4
145.06506	0.3
149.02327	0.7
150.03116	0.6
151.03900	1.8
155.04897	0.7
157.06506	0.2
159.08069	0.3
163.03931	0.8
167.03394	8.1
168.03696	0.2
169.06410	0.2
172.05089	0.2
177.05464	0.2
179.03383	3.1
180.04216	0.4
183.04417	0.6
184.05183	0.3
187.03923	0.3
187.07475	0.7
193.04982	0.3
197.04427	1.2
197.13272	0.2
200.04700	1.1
201.05299	0.3
203.10826	0.2
205.08662	0.2
207.02863	0.3
209.04430	0.6
213.05516	0.2
215.07007	2.6
216.07536	0.2
219.02881	0.4
219.06528	0.2
228.04160	1.8
229.04866	0.2
233.08104	0.4
233.21510	0.2
242.05754	0.3
243.06516	7.1
246.05222	0.2
253.04848	0.2
256.03766	0.8
257.04449	1.2
261.07574	1.1
271.05997	3.6
272.06454	0.2
273.03937	1.0
274.01691	0.4
274.04709	7.3
275.05106	0.2
284.03076	0.3
288.06235	1.2
289.06915	0.3
299.05490	1.5
302.04178	4.4
302.07523	0.3
317.06540	100.0
318.06903	3.5
318.10437	0.3
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	Rhamnetin
Peak:m/z	Relative Intensity
51.97277	0.1
52.03148	0.1
53.03933	0.1
55.01857	0.2
65.03922	0.5
66.01103	0.1
67.01865	0.3
67.05486	0.3
68.64947	0.1
68.99789	0.2
69.03416	0.2
69.07024	0.1
70.52776	0.2
70.53119	0.1
77.06927	0.1
79.05489	0.1
81.03432	0.5
81.07059	0.1
91.05466	0.2
93.03393	0.6
93.07069	0.1
95.04957	1.4
96.02111	0.1
97.06522	0.4
99.04436	0.1
105.06963	0.1
106.39556	0.1
107.04984	0.1
109.02870	0.6
110.03658	0.1
111.04437	0.3
115.05418	0.1
117.07001	0.1
121.02860	1.8
123.00811	0.4
123.04420	4.9
124.01559	1.6
125.02347	1.2
125.05985	0.1
127.03896	0.1
128.06183	0.2
129.06996	0.1
133.10085	0.2
134.03615	0.5
135.04407	0.4
137.02333	5.3
137.03391	0.4
139.03893	0.2
139.05377	0.1
140.04694	0.1
141.05447	0.4
144.05693	0.3
145.02847	0.3
145.06467	0.2
149.02332	0.7
150.03107	0.4
151.03899	1.8
155.04909	0.5
159.08031	0.3
163.03879	1.0
165.01831	0.1
167.03397	8.1
169.06465	0.3
171.08066	0.1
172.05199	0.3
173.05901	0.2
175.07480	0.1
179.03380	2.7
180.04156	0.5
182.03764	0.1
183.04430	0.6
184.05148	0.3
185.04488	0.2
187.03912	0.2
187.07524	0.7
190.86115	0.1
191.03424	0.3
193.04959	0.3
197.04413	1.3
197.05968	0.2
199.03871	0.1
200.04675	1.3
201.05435	0.3
205.08604	0.2
207.02869	0.2
208.03699	0.1
209.04370	0.4
211.03870	0.2
213.05447	0.3
215.07010	2.8
217.04977	0.1
219.02908	0.3
219.06532	0.1
221.04430	0.2
225.05446	0.1
227.07057	0.2
228.04164	1.8
229.04999	0.3
233.08083	0.4
239.03432	0.1
242.05753	0.3
243.06512	6.9
244.06949	0.2
245.04437	0.1
246.05229	0.2
253.04936	0.2
256.03656	0.8
257.04407	1.0
259.06085	0.1
260.06732	0.2
261.07529	1.0
271.06018	3.3
272.06448	0.1
273.03888	1.1
274.04700	7.2
275.05240	0.2
281.04453	0.1
284.03250	0.1
285.03870	0.1
288.06244	1.2
289.06973	0.4
299.05490	1.6
300.06140	0.1
302.04184	4.4
303.04654	0.1
317.06534	100.0
318.06882	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	317.0652
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.34591	0.1
55.01865	0.3
65.03923	0.8
67.01865	0.3
67.05496	0.2
70.68294	0.1
70.95956	0.4
79.05390	0.1
81.03400	0.4
91.05427	0.1
93.03375	0.5
95.04963	1.3
99.04440	0.2
107.04977	0.3
109.02851	0.3
111.04427	0.4
119.04873	0.2
121.02869	2.0
123.00762	0.6
123.04417	5.3
124.01563	1.8
125.02376	1.0
127.03817	0.2
128.06151	0.1
133.02779	0.1
134.03627	0.5
135.04437	0.3
137.02333	5.5
137.03383	0.4
138.00893	0.2
139.03888	0.3
141.05444	0.5
142.53075	0.1
144.05731	0.3
145.02859	0.5
145.06474	0.2
149.02290	0.5
150.03104	0.3
151.03886	1.9
155.04863	0.7
159.08043	0.4
163.03871	0.9
167.01955	0.4
167.03386	7.7
169.06511	0.2
172.05171	0.3
173.05910	0.1
177.05453	0.2
179.03372	2.9
180.04176	0.4
183.04411	0.5
184.05180	0.4
185.06006	0.1
187.03879	0.3
187.07486	0.7
191.03416	0.2
193.04947	0.3
197.04439	1.3
197.06038	0.3
200.04652	1.5
201.05428	0.2
205.08601	0.2
207.02919	0.2
209.04359	0.3
213.05426	0.3
215.06993	2.8
219.02826	0.2
219.06519	0.3
228.04147	1.8
233.08090	0.5
242.05807	0.4
243.06511	7.0
246.05225	0.3
253.05014	0.4
256.03638	0.8
257.04388	0.9
260.06638	0.3
261.07477	0.9
271.06021	3.1
273.03986	1.1
274.04715	6.8
275.05124	0.2
284.03210	0.2
288.06274	1.3
289.07071	0.4
299.05493	1.4
302.04208	4.0
317.06534	100.0
318.06860	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
54.79619	0.6
55.05510	4.2
56.05029	4.5
57.03434	0.8
57.07075	1.8
60.04526	100.0
67.05503	8.0
69.07065	4.4
70.26630	3.0
71.08633	1.0
72.04517	2.6
72.93501	0.6
74.06078	2.0
79.05489	3.7
80.05033	1.0
81.03438	0.8
81.07055	6.8
82.06578	1.2
83.04993	0.8
83.08615	4.2
87.52298	0.7
88.59819	0.6
90.05575	1.5
90.76444	0.6
91.05477	3.1
93.07053	2.6
94.06596	1.2
95.08610	8.4
96.08162	0.7
97.10183	1.8
100.07603	0.8
105.07019	1.5
107.08615	1.7
109.10161	2.0
111.11683	0.8
112.07605	0.9
116.07116	1.0
119.08581	1.4
121.10188	1.8
123.11691	1.1
133.10121	1.4
135.32378	0.7
147.11617	0.7
160.52797	0.6
245.22581	0.8
250.25252	0.8
262.25296	1.3
263.52274	0.7
271.38623	0.8
280.26355	12.0
298.27408	13.9
312.09961	0.7
316.28458	32.8
317.28745	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	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.0
56.05032	3.4
57.07085	2.1
60.04522	100.0
61.04865	0.9
67.05497	10.3
67.05872	0.6
68.05028	1.0
69.07062	4.6
70.06593	1.0
71.04118	1.3
72.04517	2.2
74.06068	2.9
79.05483	4.0
80.05021	0.9
81.07045	7.3
82.06564	2.1
83.04976	1.0
83.08620	2.9
86.06069	0.6
87.04475	0.8
90.05577	1.4
91.05483	2.5
93.07044	3.3
94.06579	0.9
94.55918	0.4
95.04977	1.6
95.07305	0.4
95.08604	8.2
96.08128	0.9
97.06532	0.8
97.10178	1.1
100.07646	0.5
105.07037	1.9
107.08585	3.0
109.06529	0.6
109.10142	5.6
111.11706	0.6
112.07541	0.6
116.07095	0.5
119.08575	3.0
121.10139	1.3
123.08073	1.2
123.11710	1.2
133.10129	0.8
134.56404	0.4
135.11699	1.0
137.09604	4.1
137.13173	0.6
142.87605	0.4
145.10001	0.5
147.11699	0.5
149.13274	0.7
151.07500	2.3
159.11659	0.5
161.09659	0.6
189.12729	1.0
197.13287	0.5
201.26971	0.4
207.13824	1.1
237.22180	0.5
242.64029	0.5
245.22495	0.5
245.38054	0.4
250.25179	1.2
256.26221	0.6
262.25284	1.4
263.23450	0.6
268.26346	0.5
280.26321	11.1
281.26755	0.8
298.27383	10.7
299.27844	0.5
316.28452	32.2
317.06314	0.5
317.21124	2.5
317.28796	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.7
55.01831	1.6
55.05484	1.2
56.96564	26.3
56.96828	1.4
57.03438	3.8
58.06587	0.5
60.04476	2.2
61.02939	2.9
65.03904	0.9
67.05465	1.8
68.01360	0.6
69.03430	5.7
69.04523	1.3
70.06586	6.3
70.65289	1.9
70.98077	1.6
71.01333	0.9
71.04948	1.9
71.06852	0.6
71.67978	0.5
71.95230	1.6
72.08109	2.3
72.95998	0.6
73.02882	2.3
74.06056	0.7
74.97598	1.3
79.05466	1.3
81.03378	2.6
81.07024	1.2
83.04946	1.4
84.04458	2.2
84.08142	5.7
84.95980	1.9
85.02907	13.8
85.83486	0.6
86.03511	1.8
86.09689	4.1
87.04446	1.3
88.99151	0.7
89.03916	6.6
90.04224	0.5
91.03909	0.9
91.05465	16.2
91.93553	0.6
93.05752	0.6
94.00057	0.7
95.01909	0.7
95.02452	6.6
95.04932	0.8
95.06046	0.6
97.02884	6.2
98.96937	0.7
98.97575	11.0
99.04430	1.3
99.08084	0.7
101.00857	0.6
102.05529	0.6
102.96938	0.6
106.06519	0.8
107.04935	2.1
108.04305	1.1
108.08111	6.4
109.02867	2.5
109.06496	1.5
110.07131	1.8
110.97492	1.3
112.08697	1.0
112.99159	0.7
113.04596	1.1
115.03874	1.2
116.07063	0.7
116.98615	11.2
117.03358	5.8
118.03576	0.8
118.06526	1.1
119.01929	3.3
119.04937	9.4
123.06818	1.0
124.07565	1.2
124.99118	1.0
125.02316	0.8
126.93855	0.5
127.03904	2.9
128.04500	0.8
128.98642	2.7
129.10260	3.6
130.93347	1.4
131.00186	1.6
131.01878	1.7
133.01723	0.7
133.03473	1.4
133.05006	0.7
134.99646	7.6
135.04408	9.3
136.05132	9.8
136.07573	67.6
137.03024	1.6
137.05972	100.0
138.05449	0.9
138.06424	1.3
138.09125	1.1
139.02515	0.8
141.04053	0.6
142.01736	0.8
143.00174	5.1
143.01888	0.8
144.98053	0.8
145.01761	1.1
145.02782	5.9
145.04921	1.2
146.03169	0.9
146.99640	3.7
147.03325	0.9
147.04366	1.4
149.01236	1.6
149.02953	0.7
151.04886	14.0
152.05678	31.7
152.07016	2.2
153.00754	1.4
153.04112	2.1
154.06108	50.6
154.07152	2.8
154.08620	47.6
155.08966	0.7
156.05151	1.8
157.01633	0.7
158.01344	1.0
158.04980	0.8
158.99683	2.5
159.03308	0.9
160.06483	1.6
161.01244	5.7
161.02937	1.7
163.03897	34.1
164.04279	3.1
164.07074	1.3
165.00766	2.3
165.07437	1.9
167.02090	0.6
167.04399	1.5
168.05360	1.5
170.99683	1.0
172.94275	1.1
173.01225	1.7
173.02907	1.1
174.99240	0.9
175.02707	1.3
175.04396	0.8
176.06010	0.7
177.00763	2.1
177.04395	0.8
177.05899	1.4
177.56183	0.7
178.04950	1.3
179.00850	0.6
179.02254	1.3
179.42253	0.5
180.05225	2.3
182.84529	0.7
184.04692	4.8
184.08357	0.6
185.01239	2.9
185.02769	0.6
187.02737	0.9
188.05977	2.0
188.97112	1.6
189.00780	2.4
189.02415	0.6
190.04848	0.6
190.07558	0.9
190.95306	3.2
190.98694	2.2
191.02281	1.2
193.00336	0.8
193.03925	1.5
193.98782	0.9
194.06792	1.0
194.98532	0.7
201.00717	1.3
203.02202	3.1
204.02829	0.8
205.00281	1.2
206.06963	3.9
206.98187	1.4
207.01814	1.8
208.96510	1.6
208.99721	0.8
212.04590	0.6
213.03355	0.8
214.05736	0.9
214.95670	1.1
215.02214	1.0
219.01747	3.6
220.02364	0.6
220.99844	0.8
221.01744	1.1
223.01495	0.6
224.08084	5.7
226.06157	0.9
231.01843	1.3
232.96396	4.1
232.99828	1.0
233.03352	1.1
235.06758	0.7
237.02742	3.4
243.02174	0.7
248.99242	1.0
249.02930	3.0
250.97720	1.7
251.00928	0.9
256.05084	1.8
256.96674	1.0
257.05505	0.7
263.00833	0.8
267.03857	3.8
274.06271	2.6
274.97333	5.0
283.09302	2.5
285.04803	2.8
286.11890	0.8
291.97610	1.8
292.98535	4.4
295.07141	0.9
297.07840	0.8
297.99194	0.9
302.05676	1.5
309.05060	1.2
316.08105	2.3
316.11636	4.0
316.14206	36.0
316.55905	1.7
317.06186	1.0
317.14746	1.0
320.07169	0.7
321.05267	0.8
334.09354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1953
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03943	2.5
54.21447	1.1
55.05512	8.0
55.74241	1.0
65.03941	1.7
67.05502	16.1
69.07069	6.3
70.31615	4.7
71.04972	3.6
71.08587	1.1
79.05486	11.6
81.07048	21.0
83.04979	1.8
83.08580	1.9
84.53466	1.1
85.06539	10.4
88.75499	1.0
91.04945	1.9
91.05473	21.6
91.06009	2.3
93.07040	88.2
94.07298	1.1
95.04951	4.7
95.08599	64.9
97.06523	3.2
97.10117	1.5
103.05430	1.5
105.07021	51.0
107.04955	1.4
107.08590	23.9
109.06512	4.5
109.10160	7.5
111.08080	11.5
117.06999	7.7
119.08581	18.2
121.06505	8.9
121.10122	13.8
123.08047	5.9
123.11674	1.3
125.05947	1.4
128.06227	3.4
129.07011	7.6
130.07753	1.4
131.08565	22.1
133.06502	2.6
133.10118	28.4
135.08032	7.8
135.11687	18.9
137.05949	2.0
137.09660	2.7
139.07535	38.3
141.06963	3.6
142.07779	8.6
143.08563	16.5
145.10117	29.4
147.08023	2.7
147.11696	7.8
149.05960	1.6
149.13213	3.2
153.09117	1.5
155.08559	13.1
156.09328	3.6
157.10107	29.3
159.08035	2.4
159.11678	29.8
161.09604	9.9
161.13235	3.4
163.11154	9.5
165.06952	2.4
166.07819	1.6
167.08534	3.4
169.10138	13.4
171.11708	14.0
173.05894	1.5
173.09576	3.7
173.13232	6.2
175.11177	21.0
176.11989	6.5
177.12720	15.5
179.08569	2.2
180.09332	1.8
181.10110	5.6
182.10928	3.5
183.11678	12.5
185.13217	10.0
187.11180	5.0
187.14752	2.7
189.09058	1.8
189.12733	3.8
191.10620	1.3
193.10150	1.5
194.10956	2.7
195.11662	14.9
196.12393	4.4
197.13290	10.3
199.11256	1.4
199.14774	6.9
201.12746	2.5
201.16443	1.8
203.10684	2.8
207.11768	1.4
209.13237	14.3
210.14015	1.5
211.14813	32.2
212.15382	1.3
213.12769	5.8
213.16319	11.1
215.14206	1.4
221.13228	1.9
222.13980	2.5
223.11372	1.6
223.14754	4.2
225.16373	5.1
227.14290	3.8
227.17917	13.9
229.12125	2.1
229.15840	2.7
236.15616	2.6
237.16292	1.6
239.14201	2.5
241.12172	2.2
241.15869	2.0
241.19440	7.3
243.21156	1.4
251.17934	47.0
252.18491	1.8
253.19513	16.5
255.13792	2.3
255.17441	6.2
257.15323	6.7
269.18988	100.0
270.19318	3.5
271.20563	10.5
273.18481	22.9
279.17429	5.2
287.20010	6.6
297.18463	30.9
315.19531	68.3
315.27463	2.1
316.19815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03931	2.3
53.33674	1.0
55.05505	8.1
56.05865	1.2
57.07059	3.1
65.03933	1.3
66.59302	1.1
67.05502	14.8
69.03429	2.0
69.07069	6.8
69.56880	6.5
71.05003	5.6
79.05489	17.3
81.07053	32.1
83.04984	2.1
83.08624	2.6
85.06528	8.0
88.50076	0.9
91.04961	1.4
91.05481	22.3
93.07043	65.8
95.04958	4.4
95.08604	51.7
97.06521	4.3
97.10165	1.7
99.08089	1.7
103.05426	2.2
105.07027	60.4
107.04958	1.6
107.08593	32.4
109.06528	4.1
109.10159	9.2
111.08070	4.7
115.05457	2.0
117.07017	9.9
119.04951	2.4
119.08579	34.0
121.06512	7.5
121.10136	15.0
123.08059	6.7
125.05975	3.1
128.06236	3.6
129.06985	8.1
130.07767	1.4
131.08562	27.5
133.06476	3.4
133.10130	25.3
135.04417	2.2
135.08061	6.2
135.11691	13.1
137.05995	2.4
137.09627	1.6
139.07538	8.4
141.06966	3.6
142.07787	9.8
143.08554	19.0
144.09328	3.6
145.06447	1.7
145.10118	24.3
146.10907	1.1
147.08018	2.7
147.11685	14.5
149.05991	2.5
149.09650	2.8
149.13263	8.2
151.07607	1.7
151.11131	1.2
154.07733	1.5
155.08540	13.5
156.09335	4.3
157.10129	33.0
159.08067	2.3
159.10416	2.1
159.11681	30.5
161.05904	2.3
161.09560	4.8
161.13278	6.7
163.07507	1.9
163.11208	5.5
165.06993	2.8
167.08562	4.2
168.09323	2.7
169.10144	16.0
170.10924	1.8
171.08130	1.5
171.11688	16.0
173.09619	3.8
173.13257	6.6
175.07674	1.2
175.11182	28.0
177.09155	2.0
177.12732	10.1
179.08577	2.6
180.09351	2.0
181.10097	6.4
182.10892	2.8
183.11705	12.5
185.09645	1.7
185.13298	8.0
187.07603	2.1
187.11189	8.1
187.14803	2.4
189.09119	5.0
189.12730	4.7
193.10118	2.5
194.10847	1.8
195.11703	14.8
196.12402	3.1
197.09639	1.2
197.13260	9.8
199.07587	1.2
199.11198	3.0
199.14830	6.6
201.12724	4.4
203.10706	3.0
205.12292	1.2
207.11723	2.3
208.12520	1.0
209.13246	16.6
210.14001	1.3
211.11140	1.4
211.14815	28.4
212.15450	1.1
213.12917	5.0
213.16394	5.1
217.12222	2.2
221.13364	2.3
222.14105	1.4
223.14857	3.1
225.16353	6.6
227.14397	4.8
227.17934	11.8
229.12283	7.8
229.15866	3.1
231.13797	2.1
236.15524	1.8
237.12718	1.7
237.16354	2.2
239.14359	2.9
241.12306	2.5
241.19551	6.8
245.15186	1.1
247.13313	2.1
251.17957	34.9
253.19437	8.7
255.13858	1.3
255.17387	6.1
257.15387	13.3
261.16357	1.5
269.19000	72.9
270.19220	1.9
271.17117	2.0
271.20538	3.3
273.18396	8.5
279.17545	3.8
287.20041	9.4
297.18481	42.0
298.18784	1.8
300.68250	1.1
315.19556	100.0
316.19968	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1951
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.05506	7.9
57.07060	2.7
65.03947	1.9
65.33895	1.7
67.05502	24.7
69.07066	9.7
70.58338	5.7
71.04982	5.0
79.05500	15.4
81.03446	1.7
81.06627	2.8
81.07053	29.2
83.04974	2.3
83.08603	3.5
85.06537	16.5
91.05460	26.0
93.07033	92.1
95.04960	6.2
95.08598	79.5
96.08925	1.9
97.06516	6.0
103.05476	3.7
105.07024	66.0
107.04938	2.5
107.07948	2.5
107.08595	27.5
109.06500	3.6
109.10149	11.3
111.08047	12.2
113.09602	2.3
117.07027	10.0
118.33918	1.5
119.08575	35.1
120.57636	1.5
121.06501	10.9
121.10131	16.8
123.08006	7.9
123.11704	2.0
125.06004	2.1
128.06212	3.8
129.07004	9.7
130.07736	2.3
131.08559	35.5
133.06471	5.0
133.10124	37.1
134.10425	1.8
135.04401	4.0
135.08052	8.7
135.11676	19.0
137.06004	1.8
137.09637	5.9
139.07521	37.2
141.06979	4.0
141.09050	3.1
142.07780	10.7
143.08554	21.5
145.06435	2.1
145.10112	31.0
146.73845	1.8
147.08102	3.0
147.11642	10.5
149.05948	3.2
149.09601	2.1
149.13240	6.1
151.07533	2.0
154.07742	2.7
155.08522	14.4
156.09262	4.0
157.10123	31.0
158.10901	2.1
159.07990	3.8
159.11673	33.8
161.05965	4.2
161.09590	12.5
161.13254	3.7
162.71109	1.6
163.07530	3.9
163.11179	10.6
167.08571	4.7
168.09319	2.3
169.10146	19.5
171.07979	2.6
171.11676	19.0
173.09612	7.5
173.13226	8.4
175.11176	25.6
176.11914	3.8
177.09181	2.1
177.12718	16.0
179.08609	3.9
180.09299	4.0
181.10101	10.2
182.10893	3.5
183.11684	13.1
185.09554	3.2
185.13287	14.0
187.07507	3.4
187.11159	7.8
187.14857	2.9
189.08995	3.8
189.12709	4.4
194.10913	3.6
195.10060	3.0
195.11690	20.6
196.12434	5.6
197.13226	12.4
199.07481	1.9
199.11278	4.1
199.14868	8.2
201.09064	2.1
201.12766	3.9
201.16380	3.6
202.67361	1.7
203.10678	6.1
209.13228	21.4
211.14807	33.1
213.12755	7.8
213.16406	12.2
215.14307	4.1
217.12166	1.9
219.13913	1.9
221.13309	2.0
223.14810	4.8
225.16425	5.9
226.17104	2.1
227.14302	5.1
227.17923	16.4
229.12189	3.5
229.15749	3.1
231.13828	2.1
236.15639	2.3
237.12766	1.9
237.16342	2.9
239.14273	5.0
241.12311	3.6
241.15851	3.7
241.19554	9.0
247.13333	2.7
251.17955	49.0
252.18224	2.1
253.19548	12.8
255.17451	6.2
257.15295	10.4
261.16422	2.0
269.18991	100.0
270.19385	1.8
271.20621	6.2
273.18439	23.2
279.17410	6.7
287.19998	14.9
297.18442	37.7
315.19537	86.2
315.27893	3.1
316.20016	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	314.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01886	0.6
56.05038	0.9
57.03439	0.5
58.06599	73.4
59.06953	0.7
65.58664	0.4
67.05514	0.6
70.06567	0.7
71.22080	0.5
71.22424	0.7
72.08162	0.5
79.05505	0.7
81.03405	0.5
81.07104	0.5
84.08136	0.4
86.09701	0.8
91.05503	1.4
93.07072	1.2
95.04980	1.3
97.02924	0.7
103.05465	0.7
105.07062	1.2
107.04953	29.8
108.05269	0.5
108.08120	0.4
109.06543	0.7
115.05446	2.3
119.04958	1.0
119.08501	0.5
121.06495	3.1
123.04477	0.8
130.06523	0.7
131.04970	1.6
133.06525	1.1
134.06038	0.7
136.05281	0.9
136.06256	1.8
137.05978	5.2
138.05513	0.8
139.70256	0.5
143.04927	2.7
145.06448	2.3
147.08095	1.9
149.06046	0.6
150.06775	0.8
151.03938	1.4
151.07549	11.7
152.04308	0.9
152.07079	4.5
153.07068	0.6
154.07797	0.5
157.07599	2.1
160.05197	1.1
161.06058	0.7
162.05550	1.1
163.06334	0.8
163.07574	1.6
164.07097	1.5
165.06976	2.5
165.09180	1.8
166.07774	1.1
167.08659	0.5
171.08147	0.5
175.07538	4.9
176.07079	0.9
176.10722	0.5
177.09250	0.6
179.08557	1.0
181.06509	1.1
182.07211	0.8
191.08543	2.6
192.10220	2.4
193.06549	1.4
193.11057	0.5
194.07355	1.6
195.08128	1.4
199.07544	0.5
205.06563	2.0
206.07201	0.5
207.08107	1.6
209.09615	3.4
210.06870	1.6
211.07654	0.6
211.11208	0.8
219.08124	1.6
221.06027	1.0
222.06720	2.3
223.07597	1.9
224.08287	0.6
225.09187	1.5
226.97717	0.5
233.06039	1.1
234.06677	0.5
235.07657	0.6
236.08427	0.8
237.09103	6.3
238.06305	1.3
239.07004	1.3
239.10814	1.3
247.07706	0.8
251.07056	1.3
253.08647	4.7
253.10971	0.5
254.09453	0.7
256.09753	0.9
265.08627	10.1
266.09000	0.8
267.06601	0.8
267.10284	1.1
268.07208	0.5
268.10562	0.4
268.13290	0.6
269.08533	1.0
269.11731	10.3
270.07785	1.0
270.11905	0.7
271.13348	3.6
279.06622	0.7
280.09799	1.0
281.10480	0.5
282.08807	3.4
282.11349	0.8
283.08279	3.7
284.09018	2.7
285.10181	1.2
296.12836	1.0
297.07916	0.9
297.11197	12.7
298.10730	55.4
299.11469	31.8
300.11990	2.4
314.13989	100.0
314.17648	71.7
315.14291	7.5
315.17987	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	314.1749
Annotation	Roefractine
Peak:m/z	Relative Intensity
53.03941	0.6
58.06603	1.1
64.75343	0.4
69.81361	1.8
69.81774	0.9
91.05466	4.1
95.04971	0.8
103.05476	0.7
105.07030	3.5
107.04968	1.7
109.06524	0.7
115.05448	6.6
117.07007	0.5
121.06501	100.0
122.06830	1.9
129.06946	0.5
131.04884	1.3
133.06580	0.6
135.08037	6.2
137.05971	8.5
143.04927	12.6
144.05701	2.2
145.06499	1.5
147.08014	0.8
147.45525	0.4
149.05988	1.1
151.07501	2.1
152.07903	0.5
159.08047	5.5
160.05174	4.2
161.06049	1.1
161.09605	0.6
163.07545	1.2
165.07007	0.9
166.07713	0.6
167.08600	0.7
175.07547	15.0
176.08032	0.7
177.43623	0.4
178.08617	0.7
179.08551	1.4
180.09383	0.7
181.06552	0.7
182.07259	0.7
190.07814	1.0
191.08472	2.2
192.10281	3.6
194.07271	0.7
195.08012	0.9
196.08839	0.7
197.09525	0.7
204.05757	1.0
204.07779	0.5
205.06427	1.1
208.08786	4.4
209.09612	0.8
211.07361	0.8
211.11188	2.8
219.08067	3.0
223.07489	0.9
223.11172	6.4
224.08237	0.7
225.09158	1.3
225.12511	0.5
225.21092	0.5
226.12196	0.8
232.05159	0.4
233.09558	0.5
236.08342	0.8
237.09111	1.3
239.06993	0.5
239.10645	2.0
247.07520	3.9
250.06224	0.5
251.06935	0.9
251.10660	8.5
252.11212	1.2
253.08511	1.7
254.09319	0.7
254.11644	2.3
257.11649	0.6
264.07773	0.6
265.08603	1.4
266.09393	1.4
267.06454	1.4
268.10834	1.6
269.07892	0.6
271.13245	2.5
279.10123	1.7
282.08752	2.6
282.14899	0.6
283.13303	19.4
284.13644	0.7
285.14774	1.2
296.12704	0.8
297.11111	5.0
298.10861	1.7
299.11295	1.3
314.13879	9.3
314.17444	88.2
315.14114	0.8
315.17911	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	314.1747
Annotation	Laurifine
Peak:m/z	Relative Intensity
50.12212	0.5
51.34252	0.4
52.82248	0.4
58.06596	29.7
69.80828	0.5
71.16233	1.0
71.16572	0.4
72.08107	0.5
79.05457	0.7
91.05473	1.4
93.07024	0.8
95.04967	0.9
96.08096	0.9
103.05433	1.3
105.07018	0.6
107.04945	53.9
108.05266	1.5
115.05441	5.7
117.06992	1.4
119.04931	0.6
121.06485	4.7
131.04901	1.9
137.05963	5.8
143.03761	0.6
143.04901	10.4
145.06464	5.4
147.04276	0.6
147.08054	1.2
149.05939	0.7
151.07523	1.7
155.05966	0.6
158.07349	0.5
160.05159	0.7
163.07553	0.9
164.10675	0.7
167.08606	0.5
175.07526	4.5
176.10612	0.7
177.09161	1.2
179.08522	0.6
181.06502	0.7
181.10023	0.6
183.08012	0.7
189.09068	0.5
190.07692	0.6
191.08527	1.3
192.10196	3.2
193.10985	0.7
194.07259	1.6
194.11739	1.2
195.07869	0.8
197.09518	0.5
205.06522	0.8
207.12579	0.8
209.09604	4.5
211.07497	0.6
211.11188	0.7
219.07979	0.7
223.07524	0.9
235.07678	0.6
237.09052	5.3
238.09764	0.7
239.06970	0.7
239.10577	1.3
251.10637	0.7
254.09428	0.8
254.11752	2.5
265.08530	0.8
268.10867	0.5
269.11694	10.4
271.13211	2.6
282.14868	0.5
283.13333	0.9
296.12772	0.6
297.11136	1.4
298.10690	2.9
299.11328	1.1
314.13956	7.5
314.17438	100.0
315.14105	0.9
315.17657	5.4
315.67169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1383
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
58.06482	2.5
58.06808	0.9
64.35098	0.3
65.63245	0.3
70.53173	0.3
71.09445	0.9
81.58447	0.3
91.05384	0.4
91.99094	0.3
92.41566	0.3
97.02784	0.7
103.05335	0.3
105.06896	0.6
107.04895	1.4
108.05567	0.3
109.06407	0.5
131.04893	0.5
136.05052	0.6
136.06023	1.3
137.05821	1.2
138.05391	0.5
143.04854	0.4
145.01707	0.3
151.07533	7.9
152.07022	2.5
162.05370	1.1
163.06200	0.7
164.06862	0.6
165.08989	0.9
175.07475	0.7
176.06911	0.9
181.06326	0.3
223.07558	0.3
236.10698	0.3
238.08665	0.6
239.69005	0.3
242.07826	0.4
255.08688	0.5
256.09555	1.1
265.08517	0.9
268.13354	0.6
269.11728	0.9
270.07529	0.9
280.09656	1.1
281.10403	0.3
282.11343	0.7
283.08371	2.5
284.09137	1.6
285.09921	1.2
296.12711	1.1
297.11090	0.8
298.10706	47.0
299.11469	28.9
300.11847	0.9
314.13837	100.0
314.17084	4.3
315.14212	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	314.1386
Annotation	(-)-Norboldine
Peak:m/z	Relative Intensity
52.76616	1.2
52.79379	1.0
60.04517	1.3
62.34519	1.1
69.30567	14.6
70.77913	1.2
77.74265	1.3
94.02937	7.1
96.04498	9.0
96.08136	1.2
105.07081	1.3
107.04864	1.5
115.05466	2.4
121.06474	3.8
128.06224	2.0
128.07082	3.8
137.05960	2.2
141.06953	1.7
142.04134	4.4
143.05035	1.7
143.08594	1.7
144.05684	17.0
152.06175	2.3
153.06966	2.3
154.07690	2.9
159.08052	33.0
160.08261	1.5
165.07002	16.2
165.34251	1.2
166.07770	6.5
167.07214	1.0
167.08566	27.5
171.08047	11.4
177.06956	2.2
178.07767	5.2
179.08557	8.9
180.08040	3.1
181.06477	3.2
182.07249	7.0
182.09668	1.7
183.08049	1.7
190.45401	1.2
192.08099	15.8
193.06514	9.8
193.08865	7.0
194.07292	4.1
194.09639	24.6
195.08034	7.2
195.10158	1.4
197.09619	12.1
204.08090	2.8
205.06561	2.1
206.09566	1.2
207.08015	3.5
209.09708	5.8
210.06741	7.7
211.07550	3.4
220.07677	4.9
221.06467	1.4
221.08145	6.4
222.06792	4.1
222.09149	20.7
223.07597	2.7
223.09874	5.1
224.08350	2.9
224.10861	1.6
225.09093	62.7
226.09599	1.7
226.12265	5.0
232.07648	1.9
233.06036	2.0
236.10748	2.0
237.09190	8.8
238.08691	4.4
239.10846	10.6
240.10332	2.0
249.07883	1.9
250.08662	4.0
252.10118	8.1
253.08644	4.5
253.10970	64.8
254.11739	43.3
264.10062	1.8
265.08600	4.0
266.09235	2.0
280.99710	1.4
282.08832	2.1
282.11261	57.9
296.09140	4.0
296.12512	2.6
297.11136	8.4
298.10965	2.3
299.11551	1.7
314.10672	4.5
314.13861	100.0
314.17261	4.2
315.14151	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	314.1232
Annotation	N-methylanthraniloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.85937	0.8
56.05042	0.9
58.06602	7.0
61.02919	1.0
62.32128	0.7
65.03925	1.5
67.05495	1.2
69.03427	1.5
69.80015	0.7
70.06588	2.7
70.82483	1.1
70.82820	1.8
72.08128	0.9
77.03903	0.8
79.05508	1.9
81.03445	1.3
81.07073	1.0
84.08123	1.1
85.02911	3.6
86.09708	3.3
87.04472	0.8
91.05475	14.6
95.04980	1.3
95.08619	0.9
97.02886	2.4
106.06556	13.1
107.04942	3.1
109.02833	1.0
109.06497	3.9
115.05437	0.8
116.04977	2.9
116.07121	1.0
119.06086	1.9
121.06497	1.0
134.06009	100.0
135.04431	1.2
135.06369	1.2
136.06210	2.9
137.06000	2.1
138.09071	1.0
145.04987	0.8
151.03911	1.7
151.07582	2.8
152.04292	1.4
152.07054	13.7
158.04596	0.8
164.07104	1.4
166.08707	1.1
205.06496	0.9
222.06636	0.9
223.07567	1.2
225.09219	0.8
237.09247	1.4
249.68265	0.8
265.08636	1.7
284.51376	0.9
296.12729	0.9
297.07813	1.6
297.11157	2.9
298.10712	13.4
299.11487	8.1
314.10333	1.2
314.13904	27.6
314.17508	5.7
315.14307	1.5
315.17917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05889	0.5
58.06595	2.4
69.93483	2.4
69.93905	1.1
70.06598	0.6
73.61726	0.5
74.29176	0.6
93.48828	0.5
96.53135	0.5
98.20802	0.6
107.04958	1.0
153.07033	0.7
165.07008	2.8
166.07736	2.8
167.08582	0.7
177.06969	1.4
178.07756	2.3
179.08537	4.8
181.06512	1.5
181.10129	2.1
185.77020	0.7
189.07051	1.9
190.07803	3.7
191.08545	15.6
193.06482	2.1
194.07278	5.5
195.08054	2.2
202.07767	0.8
203.08493	0.6
204.05800	0.6
205.06485	6.6
206.07298	1.2
207.08046	7.8
208.08846	3.6
209.09645	7.9
218.07283	2.4
219.08041	12.5
221.06012	4.0
222.06757	18.8
222.08952	0.9
223.07472	3.5
223.32797	0.6
225.09099	3.5
233.05980	3.8
234.06671	0.7
235.07605	2.9
236.08340	3.9
237.09111	20.3
238.09296	0.6
239.07042	4.4
247.07512	4.1
248.08186	0.6
249.05478	1.6
250.06129	3.3
251.07124	2.2
253.08557	1.5
254.11725	0.7
255.10220	1.9
263.07080	2.2
264.07840	1.6
265.08591	67.7
266.09109	3.7
267.06509	6.5
267.09738	0.9
269.11716	1.0
270.08429	0.7
279.10135	1.3
282.08841	26.2
296.69791	0.6
297.11209	100.0
298.11087	5.0
299.11523	2.2
314.10916	0.7
314.13916	18.0
314.17432	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	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.82134	0.4
55.05497	0.8
56.96305	0.6
56.96566	10.2
57.03422	1.5
57.07056	0.7
61.01138	0.7
61.02924	1.0
65.03913	0.4
67.05496	1.1
69.03427	5.0
70.06593	5.0
70.98109	0.8
71.04983	1.0
71.08647	0.6
71.63058	0.8
72.08141	1.2
73.02898	1.4
73.06544	0.5
79.05505	0.6
81.03396	1.8
83.04945	0.8
84.04509	1.0
84.08132	1.8
84.96017	1.3
85.02905	4.1
86.09713	0.9
86.99030	0.5
87.04471	0.9
88.80243	0.4
89.03915	0.8
90.94695	0.5
91.05476	1.4
95.06098	0.5
97.02891	47.2
98.03240	0.5
98.97578	7.8
99.04487	0.5
99.97929	0.6
100.39914	0.4
101.00812	0.4
104.03107	0.5
105.07080	0.4
106.06549	0.5
107.04956	0.9
108.08114	7.5
108.08779	0.6
109.02890	0.8
110.07149	0.5
110.97569	1.0
111.04447	0.6
112.07586	0.6
112.81985	0.4
112.99149	0.5
115.03934	0.5
115.08659	0.7
116.07104	1.0
116.98608	6.9
117.03348	0.6
119.01738	0.8
119.03551	0.8
119.04969	1.0
121.60965	0.4
123.06826	0.7
124.07590	1.2
126.02615	0.4
127.00655	0.6
127.03902	1.2
128.98592	1.4
130.93312	1.0
131.00139	1.0
131.01886	0.7
132.02559	0.4
134.06030	1.1
134.09634	1.5
134.99637	5.8
135.04393	1.1
136.06184	100.0
137.04578	0.6
137.05894	0.9
143.00206	1.2
143.01651	2.8
145.01720	0.5
145.03586	0.7
145.04997	0.7
146.99663	2.0
147.03357	0.6
147.04330	2.2
148.04784	0.6
148.06142	1.0
148.55167	0.4
151.07484	0.4
152.07063	6.0
152.10747	2.5
153.00772	0.9
155.04665	1.0
155.54794	0.6
157.01703	0.7
158.99663	1.7
159.03221	1.0
161.01219	2.0
161.02730	1.3
162.07750	0.5
162.99133	0.8
163.02730	0.8
163.03893	4.7
164.05730	6.1
164.07018	0.7
165.00743	0.7
170.99678	0.6
172.94403	1.0
174.00725	0.6
174.99054	0.6
175.02826	0.6
176.05388	1.0
177.00717	2.1
177.04393	0.5
177.05919	0.5
178.07262	2.7
179.03685	2.1
185.01367	0.6
186.99051	0.5
187.02786	0.7
189.00725	1.3
189.04303	1.2
190.95409	2.9
191.04031	0.7
196.54579	0.5
197.54549	0.4
201.00635	0.7
205.03943	0.7
207.01775	0.5
208.96497	1.1
213.00580	0.7
214.61737	0.5
215.02338	0.5
219.01823	1.3
219.05193	0.5
223.04941	0.5
227.02010	0.4
229.03798	0.4
231.01688	0.6
232.96411	2.0
233.03172	0.7
237.02876	2.4
242.03653	0.5
243.99191	0.7
245.03078	0.5
248.07745	0.9
248.96112	0.4
248.99055	0.9
249.02936	0.8
250.03200	0.4
250.09341	0.8
250.97534	1.8
254.04286	0.5
267.00336	0.8
272.04730	0.5
273.02798	0.5
274.97733	0.5
278.07101	0.5
290.97009	2.1
291.03745	0.8
291.07285	0.7
296.08148	2.9
298.10812	1.6
299.11530	0.6
308.98096	0.6
309.08536	0.6
313.98706	0.7
314.05783	0.8
314.09207	8.2
314.12585	5.3
314.18347	1.8
315.07593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05293	1.0
55.05508	11.5
57.03434	23.8
57.07071	69.0
58.07410	0.9
67.05499	12.1
69.07069	13.3
70.10184	4.9
71.04977	1.6
71.08625	44.3
72.60924	0.9
79.05493	2.8
81.07054	18.5
83.08612	14.8
85.09696	1.6
85.10180	21.4
89.06036	4.3
91.05467	1.2
95.08601	26.5
97.06518	2.3
97.10155	8.5
103.07566	3.6
107.08595	1.1
109.10157	10.7
111.11721	2.5
117.09125	1.4
123.11710	5.2
125.13248	1.0
137.06024	0.9
137.13217	1.8
149.13199	0.9
164.69727	0.9
239.23654	4.3
257.24780	5.7
293.18228	1.0
298.27249	1.1
313.27344	100.0
314.13776	1.3
314.27640	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.1
57.03175	2.4
57.03431	24.5
57.07073	71.1
58.54545	1.5
62.08512	1.4
63.16537	1.4
63.78057	1.5
67.05505	13.5
69.07058	13.2
69.44294	2.0
69.44691	14.7
71.08626	46.9
79.05477	1.7
81.07053	20.6
83.08615	13.1
85.06560	2.0
85.10170	24.9
89.06007	3.1
93.06988	1.9
95.08604	24.7
97.10160	7.6
99.11655	1.6
103.07537	1.7
109.10139	11.3
111.11665	1.5
123.11691	6.9
168.81261	1.7
239.23676	5.6
249.87752	1.4
257.24753	6.7
298.10733	5.0
299.11444	1.9
313.27341	100.0
314.13904	9.0
314.27576	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.7
57.03436	23.2
57.07075	71.0
67.05505	12.8
68.21886	0.7
69.07066	12.5
70.89362	1.6
70.89734	1.7
71.08630	41.4
75.04507	1.1
79.05463	1.0
81.07059	18.7
83.08624	13.1
85.10182	24.1
89.06019	5.3
93.07047	1.7
95.08607	23.5
97.06493	1.0
97.10168	7.5
103.07562	1.8
109.10148	13.4
111.11734	1.3
116.07298	1.0
123.11698	5.2
125.13303	1.4
137.13249	2.4
151.14803	1.3
204.91754	0.8
239.23682	4.4
257.24771	6.5
313.27356	100.0
314.13928	1.7
314.27734	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35262	0.7
53.03938	0.8
55.05505	11.2
57.03437	22.3
57.07074	64.8
67.05502	13.1
69.07063	14.4
70.15405	3.3
71.04977	1.4
71.08627	39.6
73.06551	0.8
79.05482	3.1
81.07051	19.6
83.08617	15.1
85.06532	1.8
85.10178	23.1
89.06052	4.8
91.05480	2.5
93.07053	4.6
95.08607	30.2
95.09222	1.5
97.06528	2.3
97.10155	6.9
99.11737	1.6
103.05475	1.4
103.07565	2.9
105.07025	2.9
107.08588	3.2
109.10153	14.0
111.08065	1.0
111.11700	1.3
117.07008	1.2
117.09137	1.1
119.08596	2.2
121.10146	3.1
123.11713	5.2
125.13236	1.1
129.06999	1.8
131.08585	2.8
133.10101	1.9
135.11719	1.9
137.13295	1.9
143.08598	1.8
145.10103	4.6
147.11670	1.4
155.08572	2.0
156.09326	0.8
157.10118	3.8
159.11679	3.3
161.13332	1.2
169.10130	2.6
171.11716	2.8
173.13286	1.7
175.03784	0.9
181.10147	1.3
183.11678	2.0
185.13284	1.7
197.13223	1.3
199.14801	2.0
200.15681	1.9
209.13223	2.5
211.14879	3.5
213.16460	1.4
225.16508	2.0
227.17992	1.1
239.17952	1.5
239.23686	5.0
244.21114	1.0
254.33859	0.9
255.21094	1.5
257.24689	7.1
267.17401	1.7
267.21066	4.1
295.20663	0.9
295.24207	1.8
298.10654	0.9
299.11533	1.0
313.17938	2.6
313.21597	5.9
313.27393	100.0
314.13828	1.9
314.27698	3.4
327.94308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40052	0.6
55.05299	0.8
55.05510	8.5
56.61751	0.6
56.69997	0.7
57.03436	23.6
57.07074	68.2
58.80315	0.8
67.05173	0.9
67.05503	13.9
69.07066	12.5
70.23909	3.6
71.04994	1.0
71.08631	41.6
79.05490	1.4
81.07055	18.5
83.04948	1.2
83.08138	0.9
83.08617	13.7
83.92702	0.6
85.06543	1.3
85.10180	22.2
89.06017	3.2
93.07014	1.3
95.08603	25.4
97.06526	1.1
97.10182	6.5
99.11692	2.4
103.07555	2.4
107.08556	1.1
109.10155	10.3
111.08070	0.8
111.11729	1.4
123.11730	4.7
125.13316	0.8
131.10657	0.7
137.13239	2.1
151.14883	1.0
187.68321	0.7
218.82272	0.7
221.22511	1.0
239.23711	4.4
239.25740	0.7
257.24747	6.0
313.27359	100.0
314.13794	1.4
314.27673	4.0
326.88681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	7.3
69.07051	18.5
71.63052	7.0
79.05488	27.4
81.07040	19.9
83.08595	6.2
91.05505	11.9
93.07021	10.1
95.08631	9.5
97.06521	100.0
98.06844	7.4
103.05465	6.6
105.07016	25.1
107.08565	12.9
109.06485	7.0
109.10130	6.9
119.08566	17.8
121.10140	16.1
123.07999	6.8
129.06990	12.6
131.08615	12.0
133.06512	6.8
133.10120	11.1
137.05952	10.2
142.07768	7.1
143.08507	9.6
151.03877	21.3
153.06920	7.9
157.06404	7.0
157.10100	18.4
159.11700	25.2
161.05981	31.2
161.09587	7.2
161.13219	6.8
171.08087	10.7
175.07471	8.2
175.14879	6.3
176.70166	6.0
189.16373	7.2
198.06688	7.3
199.07516	12.4
199.14835	30.8
213.09076	6.8
217.08543	19.2
217.15855	48.5
225.08977	6.8
235.16884	42.0
241.12169	11.0
257.11618	29.0
265.26294	6.4
296.13528	12.9
298.10651	8.2
313.10532	21.4
313.14191	29.9
313.17395	15.8
314.13983	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.9
57.03437	20.3
57.07074	61.5
65.22836	0.6
67.05178	1.1
67.05503	12.2
69.06721	1.0
69.07064	11.9
70.68587	2.4
71.08630	41.1
73.26315	0.7
79.05495	1.3
81.07056	16.3
83.08150	0.8
83.08617	14.1
85.10181	23.2
89.06011	2.8
93.07047	1.7
95.08606	25.3
97.06531	0.9
97.10166	7.0
99.11715	1.4
103.07574	2.3
107.08633	1.5
109.10155	10.0
111.11695	1.3
117.09135	0.9
123.11730	4.5
131.04861	0.8
135.11792	0.8
137.13231	2.0
151.14734	0.8
221.22720	0.9
239.23743	3.7
257.24673	4.8
309.44635	0.8
309.49387	0.6
313.27356	100.0
314.27719	2.3
316.96359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	13.0
56.99546	11.8
61.91774	12.9
65.64233	12.7
67.05513	18.5
70.10157	54.7
71.68147	11.8
71.96293	12.9
79.05503	31.4
81.07055	32.5
84.53481	11.8
84.99558	12.3
86.16077	11.3
91.05459	20.7
93.07031	26.3
95.04977	15.6
95.08603	14.6
97.06532	92.1
97.87259	12.8
98.06840	11.9
103.05476	29.8
104.34338	11.5
105.07002	37.2
107.08577	23.4
107.28133	11.0
119.08588	42.8
123.07955	11.8
131.04930	13.6
131.08507	26.5
133.10118	29.7
137.05968	16.4
142.07712	13.7
143.08537	22.5
147.11664	14.4
151.03870	37.3
157.10071	25.3
159.11668	52.6
161.05966	34.4
161.09668	14.9
169.10143	13.6
175.11201	14.9
184.93210	12.2
189.09114	21.2
199.07552	22.0
199.14790	59.6
217.15851	100.0
235.16814	71.3
235.51321	13.6
257.11719	18.4
296.13550	16.0
313.07031	13.9
313.10632	29.4
313.14188	31.8
313.17377	19.2
313.26932	14.8
314.10718	20.8
314.14035	33.1
327.37036	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	313.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.80981	0.4
67.05510	0.6
69.07059	0.6
69.98820	2.6
76.93211	0.4
79.05499	1.2
81.07076	0.8
83.01099	1.1
84.90645	0.5
91.05457	0.9
93.07019	0.6
95.08593	0.6
97.06510	2.5
98.20751	0.8
103.05463	0.9
105.07039	1.4
107.08606	0.5
117.07032	0.6
119.08583	0.8
129.07011	0.8
129.84651	0.5
131.08577	1.1
133.10124	0.5
137.05971	0.7
142.07857	0.5
143.08574	0.8
145.06548	0.5
145.10124	1.0
147.04289	0.7
155.08516	0.6
157.10138	1.4
159.11687	0.8
175.03900	0.7
185.13257	2.0
189.09113	1.0
253.12053	1.5
292.68277	0.6
298.10876	0.7
313.14096	100.0
314.14316	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	313.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	15.1
69.07069	21.8
70.83839	23.6
79.05468	27.0
81.07052	26.0
91.05482	17.5
93.07024	14.4
95.04939	11.8
95.08610	27.2
97.06534	100.0
103.05479	17.7
105.07031	37.1
107.08581	11.1
117.07053	17.8
119.08585	28.4
121.06483	9.0
121.10154	18.8
125.64409	9.8
133.10095	22.4
134.28654	10.4
137.05971	16.0
140.82886	9.9
143.08536	18.6
145.10129	9.5
147.11682	13.2
155.08437	8.3
157.10127	19.2
159.07935	8.2
159.11691	37.1
161.06003	28.8
161.09650	12.8
161.43744	8.6
161.73830	10.5
163.07680	10.3
165.09254	9.7
171.08015	9.5
175.07549	11.9
175.11264	9.1
177.12793	14.0
189.09113	12.4
199.14813	23.6
205.51303	10.3
216.10814	12.3
217.15871	86.8
235.16956	26.6
235.77705	9.0
250.09369	9.9
257.11719	26.9
313.10654	20.7
313.13980	20.8
314.13895	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	312.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05629	1.2
61.02923	0.3
69.60236	1.4
69.60656	0.9
70.06587	2.0
76.36241	0.2
91.20955	0.2
92.04990	0.5
94.06573	2.7
101.31146	0.3
110.06039	1.5
116.07085	0.8
119.01826	0.2
130.09731	0.5
138.05493	100.0
139.05820	1.2
158.09264	0.3
173.60106	0.3
175.11891	4.2
176.01102	0.4
237.66533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01851	1.9
55.05497	3.7
56.05014	2.1
56.96561	51.8
57.03428	3.4
57.07063	4.7
57.84208	1.5
61.02908	3.0
67.05503	3.6
68.04996	1.6
69.03426	7.3
69.07062	2.1
70.06585	8.7
70.98122	3.8
71.04980	2.2
71.08620	2.8
71.61271	1.4
71.61642	1.9
71.95264	2.8
72.08153	2.5
73.02886	2.8
73.06547	1.7
77.21835	1.5
79.05486	2.6
81.03403	4.4
81.07040	2.8
83.04989	1.8
84.08126	8.7
84.96004	1.9
85.02915	10.3
87.04466	2.1
91.05475	5.9
95.04958	2.8
95.08598	2.0
97.02892	16.4
97.16607	1.5
97.96786	2.2
98.97576	93.8
101.05942	1.5
103.05431	6.8
105.06994	3.2
107.04939	2.8
107.08584	2.2
108.08096	9.4
109.02867	1.9
109.10187	1.8
110.07180	2.9
110.97560	3.3
112.07575	1.6
115.97880	1.7
116.98615	100.0
117.69567	1.5
119.01885	5.7
119.04938	5.8
124.07523	2.1
124.55306	1.5
127.03906	4.7
128.98615	5.3
129.10263	2.0
130.93292	4.0
131.01854	1.6
131.04906	3.4
133.06477	1.5
134.01248	2.0
134.99649	90.0
135.04381	2.1
136.06161	15.7
136.07573	4.2
137.05974	17.3
139.03909	2.1
140.00174	4.7
143.00124	3.7
143.01851	1.7
145.01721	1.9
145.03415	2.6
146.99637	4.9
147.03305	2.6
147.04314	11.8
148.94380	2.7
149.01158	1.6
150.05486	2.5
150.98981	2.0
152.05766	2.5
152.07045	5.5
153.00713	18.8
155.04636	2.5
158.01259	7.2
158.99612	3.5
161.01230	4.8
161.02809	1.6
161.05975	1.8
163.03827	2.0
163.07535	3.5
172.94273	2.0
173.01218	2.2
173.02831	2.2
173.06506	1.9
174.97678	2.0
174.99159	2.0
175.03859	3.3
176.04559	2.1
177.00702	3.7
179.07057	3.7
185.02957	2.2
186.95799	2.0
187.02641	2.1
187.04228	2.3
189.00693	2.9
189.04184	1.6
190.95212	7.8
193.00150	3.9
197.01212	6.7
199.04581	1.9
201.00784	2.7
203.02275	3.2
204.96941	3.4
208.00452	3.1
208.96465	4.2
211.02731	2.8
211.99870	7.4
213.04347	7.1
215.02235	4.6
219.01701	2.7
221.05135	2.5
222.98035	4.1
223.02742	3.9
223.04922	2.4
226.01450	20.9
227.02242	3.9
230.94885	5.6
232.96439	6.2
233.03392	4.6
235.02783	28.8
236.56184	1.6
237.02879	3.1
241.03844	32.7
241.06064	1.3
241.08725	1.6
243.10220	2.2
244.02556	10.5
245.03249	3.8
248.95937	23.3
248.98923	2.5
249.02968	2.4
250.97389	6.2
253.03831	32.5
255.01753	5.2
259.04791	12.0
264.05347	2.7
265.03748	14.2
265.06250	1.8
266.97037	2.6
267.03848	4.3
271.04813	14.5
276.05328	3.7
283.04886	38.8
285.04974	2.4
289.05948	1.9
290.97046	2.6
295.04755	12.0
301.05945	3.5
302.97195	2.2
306.06464	4.0
307.96048	1.7
312.95529	2.3
313.05844	32.2
313.10934	3.0
313.14133	2.3
313.27432	5.7
314.12323	4.0
330.96429	4.9
331.06921	11.2
331.99692	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	312.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
69.07061	1.4
69.54510	7.3
69.54916	3.1
74.57525	1.1
79.24747	1.3
81.19998	1.2
85.02920	1.4
97.06522	3.0
98.52896	1.1
126.79347	1.1
129.77231	1.2
137.05878	1.7
154.07518	1.2
165.07005	3.2
171.08109	1.8
177.07002	2.7
178.07761	18.0
179.08557	6.3
181.06430	1.9
189.06938	5.7
190.07767	4.7
191.08479	2.9
192.08788	1.5
194.07260	3.9
195.08020	2.8
196.08780	3.8
197.09612	1.4
203.08395	1.9
204.05643	2.1
205.06569	9.1
206.07266	21.2
207.07825	3.9
208.08772	1.4
209.09499	3.9
211.07721	2.2
211.11227	2.6
216.11121	1.6
217.06514	2.2
218.07332	5.8
219.08089	8.8
221.09618	72.0
222.06709	1.9
222.09933	4.1
223.07561	1.8
224.08275	5.4
225.09035	1.5
233.05989	5.3
233.08426	1.6
234.06752	21.4
234.09225	2.0
235.07520	5.5
235.09901	1.3
236.08241	2.7
236.10788	3.5
237.08881	12.0
237.11275	1.7
238.09502	1.2
239.10669	4.8
240.07881	1.4
247.07625	10.3
248.07669	2.3
249.09114	83.5
250.06294	1.2
250.09486	8.1
251.06999	1.8
251.09821	2.5
252.07718	5.0
252.10687	1.0
253.08591	2.2
254.11699	2.1
261.08176	2.8
262.09531	2.0
263.06961	5.7
263.09769	2.6
264.07382	4.9
264.10437	7.1
265.07764	24.0
266.09048	1.6
267.10159	100.0
268.10486	4.6
277.08600	3.5
279.09491	7.3
280.10010	25.6
281.11230	6.4
282.08078	1.4
282.11215	2.9
283.09653	3.8
284.13004	2.5
294.11310	11.6
295.09573	50.3
295.12451	56.9
296.09708	1.9
297.10535	2.5
312.08801	2.4
312.12439	19.2
312.16226	3.8
313.10709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.00269	1.1
53.03938	2.0
54.96814	1.0
55.05509	53.0
56.44493	1.0
57.03434	25.1
57.07072	29.8
67.05507	8.7
68.99775	3.3
69.07063	59.8
69.12442	1.0
70.58713	4.2
71.08630	14.8
77.03915	1.2
79.05486	7.0
81.07047	13.3
83.04977	1.9
83.08615	51.6
84.75554	0.9
85.10176	7.0
87.59613	0.9
91.05486	3.3
93.07033	6.6
94.04243	0.9
95.04974	1.4
95.08601	10.4
97.06519	6.1
97.10166	40.0
105.07027	3.2
107.08580	5.6
109.06463	1.6
109.10147	3.9
111.08068	2.1
111.11720	12.6
121.10121	6.5
122.34180	1.0
123.11700	1.8
125.09612	2.2
125.13274	2.3
125.39639	1.0
131.69218	0.9
135.03368	1.8
135.04410	38.5
135.11646	5.0
136.04730	1.8
146.07285	2.5
147.04399	1.8
149.13217	3.8
150.06737	1.4
153.16580	1.1
153.68336	1.0
161.09610	52.4
162.09973	2.7
163.14859	1.5
177.05505	4.6
203.10767	1.5
207.17694	1.1
209.11697	2.1
219.21114	2.1
237.11263	1.4
311.12738	2.0
311.16406	31.6
311.25781	100.0
312.16782	3.3
312.26132	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.65621	0.9
53.03930	2.4
55.01852	2.4
55.05509	62.2
57.03149	1.0
57.03436	27.0
57.07074	30.1
67.05509	9.0
69.07066	70.1
69.53062	1.0
70.07396	1.2
70.09782	1.2
70.89802	2.6
71.04982	1.0
71.08626	17.1
79.05469	4.6
81.07056	12.1
83.04968	1.8
83.08615	58.3
85.10180	6.9
93.07037	7.3
95.08624	10.6
95.22820	0.9
97.06544	6.2
97.10171	43.3
107.08572	5.5
109.10151	4.7
111.08026	2.2
111.11717	13.1
121.10125	8.9
123.11667	1.7
125.09611	2.3
125.13221	2.0
135.11670	5.9
137.13210	1.2
139.11154	2.0
149.13237	3.3
163.14832	1.6
219.21013	1.6
237.22145	1.0
311.25797	100.0
312.26184	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.05508	36.8
55.41806	3.2
57.03435	16.4
57.07069	12.5
67.05505	46.5
69.07065	72.7
69.40675	14.1
69.41100	21.1
71.04987	3.7
71.08635	4.1
79.05492	27.4
81.03432	4.8
81.07051	46.4
83.08618	26.6
91.05489	38.4
93.07041	100.0
95.04967	56.2
95.08604	93.4
97.06531	30.0
97.10173	12.3
101.67091	3.5
103.05481	3.8
105.07031	72.6
107.08595	49.2
109.06520	10.5
109.10140	36.3
111.11761	4.4
117.06967	17.4
119.08569	63.5
121.06516	19.8
121.10143	53.5
123.08060	20.9
123.11705	15.9
129.06999	5.2
130.07802	8.2
131.08557	23.4
133.10133	45.9
135.08078	12.4
135.11723	13.2
137.09648	7.2
137.13292	8.9
141.86871	3.5
142.07816	6.4
143.08566	12.8
145.10135	41.8
147.11679	29.0
149.09671	5.9
149.13286	6.6
155.08540	8.1
157.10124	23.2
158.10841	3.6
159.08076	3.8
159.11699	60.3
161.09619	10.9
161.13304	12.0
167.08485	4.5
169.10165	11.9
171.11687	15.9
173.13260	13.8
175.14876	15.3
177.16406	29.4
181.10043	4.1
183.11711	7.4
185.13249	11.1
187.11171	7.8
187.14905	6.1
189.16385	13.9
191.17870	4.5
195.11742	5.2
197.13284	8.5
199.14792	6.1
201.12814	4.2
201.16399	10.1
203.17915	7.8
209.11679	7.4
209.13463	4.9
211.14882	8.6
213.16367	9.0
215.17998	5.9
219.17456	5.4
223.14914	6.7
237.16357	5.9
251.17857	3.9
255.21019	6.2
267.21246	4.5
293.22525	4.5
311.23126	32.2
311.31503	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
55.01864	3.0
55.05262	1.3
55.05509	14.2
57.07079	5.6
64.73428	0.8
67.05501	8.2
69.07076	5.0
71.08626	8.7
71.63835	1.8
79.05482	6.3
81.03395	0.9
81.07055	8.8
83.04986	3.0
83.08617	5.8
91.05487	3.5
93.07050	4.5
95.04987	4.2
95.08602	3.9
97.06547	3.0
97.10173	10.2
99.08106	6.2
100.20258	0.8
105.06999	2.5
107.04964	2.7
107.08591	4.9
109.06525	1.9
109.10135	2.0
111.04481	1.6
117.06991	1.3
119.08538	1.8
121.06495	6.3
121.10146	2.0
123.11723	0.9
125.09634	8.1
125.97171	0.9
128.06177	0.8
129.06996	1.0
131.08568	2.4
135.08043	2.0
137.05936	1.3
137.09543	0.8
141.06923	0.9
143.08536	1.0
143.10611	1.1
145.10139	1.9
149.09634	1.4
151.11197	1.2
153.05490	2.1
157.10187	2.7
159.11728	1.0
160.50319	1.0
163.11281	1.4
165.12827	1.1
171.11682	1.3
177.12813	2.7
189.11252	3.4
191.10638	1.4
195.11804	1.3
197.09616	0.9
199.07629	2.0
201.12857	1.1
209.11703	8.8
209.13416	1.4
237.11281	7.4
237.14862	1.1
255.12346	1.1
258.72549	0.9
264.07666	1.1
275.20102	5.0
279.09912	2.6
293.21109	100.0
294.12051	2.4
294.21405	3.9
296.03247	1.5
311.05435	1.5
311.13129	0.9
311.16434	3.1
311.20084	2.9
311.26077	1.3
330.88086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2004
Annotation	Longithorol E
Peak:m/z	Relative Intensity
53.03927	1.1
53.42031	0.8
55.05504	5.1
57.07072	1.1
65.03945	0.9
67.05217	0.9
67.05505	9.1
67.65548	0.8
69.07066	5.2
70.89990	2.2
79.05488	7.9
81.07058	19.7
83.08611	1.8
83.93749	0.8
85.01584	0.8
85.06510	1.3
91.05480	12.0
93.07043	14.9
95.04950	2.2
95.08038	1.8
95.08606	16.4
97.10146	1.2
100.83223	0.9
105.07030	22.0
107.08595	20.7
109.10145	13.7
115.05453	1.9
117.07037	5.9
119.08591	17.5
121.06472	1.5
121.10150	10.6
123.11709	2.1
125.39457	1.0
128.06200	3.2
129.07011	6.6
130.07784	1.9
131.08575	12.4
133.06471	1.4
133.10143	10.7
135.11673	5.8
139.07516	1.5
141.06908	4.7
142.07838	5.0
143.08563	17.1
144.09319	1.8
145.06505	1.5
145.10132	15.9
147.08133	1.1
147.11678	4.5
149.05942	2.6
149.13254	1.9
151.07564	1.6
153.07014	1.5
155.08551	12.2
156.09341	2.2
157.10120	14.3
159.08022	2.1
159.11693	17.8
161.09608	3.5
161.13216	4.2
161.53966	1.0
163.07565	1.5
165.07011	1.7
166.07799	1.0
167.08554	4.5
168.09366	2.1
169.10139	17.9
170.10930	1.1
171.08142	1.8
171.11667	9.9
173.09641	2.3
173.13251	8.7
175.11226	1.7
177.09094	1.1
179.08609	2.5
180.09319	2.0
181.10144	8.0
182.10846	1.7
183.11691	10.5
185.09618	1.7
185.13245	6.1
187.07541	2.7
187.14830	2.3
189.09172	4.1
193.10126	2.8
194.10919	3.5
195.11691	10.2
196.12502	2.7
197.13293	10.9
198.13947	1.0
199.07538	1.0
199.11253	1.6
199.14787	3.6
201.09238	1.4
201.12706	1.1
203.10712	3.0
207.11688	1.4
208.12480	2.1
209.11458	1.7
209.13277	22.0
210.13847	1.6
211.11143	1.4
211.14818	13.0
212.15411	0.9
213.09148	2.2
213.12701	2.0
213.16415	1.8
215.10608	1.5
217.12271	1.8
219.13525	0.9
221.13260	1.4
222.13992	1.1
223.11296	1.4
223.14806	11.5
223.67470	0.9
224.15581	1.3
225.16373	7.9
227.10637	1.5
227.14362	1.8
229.12329	1.3
231.13782	1.1
236.15520	1.1
237.12759	1.4
237.16397	3.8
239.17984	2.8
241.12234	2.9
243.13861	1.4
250.17169	2.2
251.14340	1.5
251.17967	2.3
255.13861	5.5
255.21104	2.1
265.19522	44.8
266.19989	4.2
267.21075	22.6
268.21375	1.0
269.15396	1.7
275.17810	1.3
283.17300	1.7
283.20532	13.9
293.19031	10.8
311.20059	100.0
312.20294	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	311.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01861	5.2
55.05503	10.6
57.03414	10.9
59.53886	3.6
67.05518	15.2
69.07063	27.0
71.64815	4.4
79.05493	30.1
80.30498	2.9
81.07052	38.0
83.04986	14.6
83.08595	9.2
91.05486	27.4
93.07021	18.6
95.04948	12.4
95.08604	35.5
97.02876	3.4
97.06526	89.3
98.06926	3.9
105.07019	30.8
107.08611	15.6
109.06495	4.2
109.10133	13.7
114.13335	3.0
115.03918	14.5
115.05435	5.7
117.07001	12.8
119.08573	22.6
119.09309	4.1
121.06503	7.2
121.10154	9.1
123.08091	5.5
123.11736	3.9
128.06213	7.2
129.06993	13.1
131.08562	24.0
133.04993	2.9
133.10112	10.4
135.08078	8.2
135.11696	11.1
137.05981	8.3
137.13246	8.5
141.06976	26.1
142.07803	6.8
143.08551	13.1
145.06425	4.6
145.10065	24.9
147.11658	10.4
149.09598	6.0
153.06956	4.2
154.07722	10.6
155.08565	10.6
157.06448	5.6
157.10150	17.6
158.10777	2.9
159.08049	12.0
159.11667	20.4
161.09579	3.3
161.13197	22.2
163.07553	3.8
165.07034	3.8
167.08559	9.7
168.05725	3.1
169.06508	14.6
169.10130	20.7
171.08025	5.1
171.11736	4.9
173.06067	6.8
173.09598	10.8
173.13242	5.1
175.11183	3.6
177.09120	4.2
178.07780	6.8
179.08539	8.4
181.06474	4.3
182.07236	4.4
182.10919	4.9
183.08003	6.3
184.05157	8.0
185.05998	10.9
185.09637	9.9
185.13260	8.0
186.06752	10.8
187.07590	14.8
187.11087	4.7
187.14812	24.7
191.08597	5.4
191.10693	3.2
193.10114	4.9
197.05969	4.7
197.09624	20.7
197.13228	15.5
199.07613	9.4
201.09064	15.8
203.14403	3.6
205.15752	4.7
207.08017	6.3
209.09645	3.2
211.11198	11.3
213.09123	28.8
214.06250	4.5
214.09853	27.8
215.07079	19.3
215.10716	61.2
215.14273	52.2
216.11024	3.8
219.07909	6.2
221.09608	7.2
223.07501	7.1
223.11267	4.5
225.09009	6.8
231.10150	9.7
233.09460	3.2
233.15361	82.0
234.10457	3.5
236.08177	5.7
236.11813	4.7
237.09056	4.8
239.10719	10.4
239.14293	5.2
249.09016	9.7
251.10661	12.5
251.16360	22.0
264.07538	6.1
264.11386	12.4
265.08737	4.5
265.12296	3.7
265.15665	4.7
265.88297	3.0
267.10593	3.4
267.13797	11.1
269.11612	8.5
269.17508	9.2
279.09930	16.0
282.12378	4.0
293.15250	18.1
293.17569	17.0
294.12051	11.9
311.12738	40.5
311.16385	100.0
311.19751	5.2
312.12897	4.0
312.16595	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	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
60.61695	0.5
71.38381	1.1
73.79533	0.5
79.05450	0.7
80.42419	0.6
81.07021	0.6
91.05443	0.8
94.04172	0.6
104.55593	0.5
105.07001	1.3
109.06506	0.8
114.66740	0.5
114.76938	0.5
122.03614	2.2
137.05971	19.3
144.05692	0.8
149.06017	0.9
161.05957	1.2
165.06935	2.5
167.08434	0.9
172.05161	1.4
176.25809	0.5
177.07005	0.9
178.07776	0.8
178.24118	0.6
179.08545	2.5
180.09344	0.9
181.06473	1.0
181.10019	0.8
182.07259	1.2
187.07552	6.9
189.07047	1.7
190.07762	2.8
191.08514	6.3
193.06470	1.7
194.07265	3.1
195.08038	1.8
197.05876	0.6
197.09615	1.9
205.06503	3.4
206.07268	2.5
207.08026	5.4
208.08797	3.0
209.09688	3.3
210.06822	3.8
211.07512	1.1
218.07242	1.9
219.08035	9.3
220.05315	0.7
220.08806	1.7
221.05963	4.7
221.09566	1.5
222.06737	5.7
223.07463	1.6
224.08261	2.5
225.09114	8.2
233.06009	4.0
233.09628	0.8
234.06763	1.2
235.07513	7.3
236.04791	0.6
236.08295	7.6
237.09093	52.4
238.06183	3.2
238.09460	2.4
239.10577	1.3
240.07784	1.3
247.07561	6.2
248.08315	2.6
249.05505	4.1
249.09151	3.0
250.06215	1.4
250.09930	0.9
251.06873	0.9
251.07893	0.6
251.10687	8.7
252.07808	1.4
252.10826	0.9
253.08595	19.2
261.09036	0.7
263.06976	5.1
264.07779	6.2
265.08591	71.7
266.05759	1.6
266.09042	2.9
267.06442	2.3
267.10223	4.3
268.07281	1.4
268.10904	1.7
279.10175	11.8
280.10931	100.0
281.08105	57.7
281.11240	5.0
282.08536	5.0
283.09543	3.1
295.09665	2.6
296.10431	63.9
297.10760	2.6
311.12769	63.0
312.12900	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	311.1276
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01875	1.4
56.83463	0.7
61.13743	0.8
66.04694	0.9
69.66328	4.9
70.29222	0.7
79.05499	3.5
81.07058	3.9
88.43636	0.7
89.03886	1.3
91.05476	5.4
93.07063	0.8
94.04190	5.8
95.05000	1.1
95.08669	0.8
102.04521	0.7
103.05473	2.8
105.07041	8.6
107.04958	2.0
109.06518	5.5
115.05466	2.7
116.06235	1.6
119.08572	0.9
121.06485	2.0
122.03645	13.8
127.05492	0.9
128.06236	3.0
129.07013	3.4
131.04919	3.2
131.08557	0.9
131.70134	0.7
132.05615	0.7
133.06493	5.3
133.10074	1.2
135.04355	0.8
137.05978	100.0
138.06264	1.8
141.07071	0.7
144.05702	3.3
145.06447	1.8
146.03581	1.2
147.08099	0.8
149.06021	5.5
151.07567	1.5
155.04951	8.1
156.05557	1.4
159.08049	9.1
159.10207	0.7
161.05995	11.6
163.03882	0.8
163.07602	0.9
165.06992	4.2
172.05196	2.8
175.07559	3.8
177.07056	1.3
178.07759	1.2
179.08565	3.0
180.09335	1.8
181.06453	1.6
183.08006	0.9
187.07538	31.5
189.06978	9.3
189.08649	1.1
190.07762	28.4
191.08551	56.2
192.08931	1.9
193.06433	1.0
194.07224	0.8
195.63254	0.7
196.05981	0.9
201.06952	1.8
202.07822	2.4
203.08521	1.1
205.06424	3.8
207.08041	9.6
208.08844	8.5
217.06509	2.0
218.07271	18.0
219.08047	66.3
220.08777	9.1
221.05975	2.6
222.06914	0.9
223.07538	1.4
223.11142	0.8
224.08266	1.2
225.09055	2.4
229.07640	1.2
231.08076	1.4
233.09717	1.9
234.06706	1.1
235.07536	12.4
236.08316	16.7
237.09079	4.5
246.06819	3.3
247.07552	28.9
248.08194	4.1
249.05547	1.2
249.09047	2.5
250.10097	1.0
251.10678	91.5
252.07744	1.5
252.10956	3.2
253.08629	9.0
261.09018	4.3
263.07068	2.8
264.07788	10.7
265.08646	6.3
266.06021	1.0
267.10287	2.7
268.07169	1.0
268.10855	2.9
277.08694	1.1
278.09436	1.3
279.10162	70.8
280.10828	9.6
281.08102	13.2
281.11023	0.9
282.08456	1.0
283.09442	0.8
283.13382	2.3
284.12784	1.0
293.11945	0.9
294.13254	1.1
295.09778	2.1
296.10413	14.2
311.12781	77.5
312.12827	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	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
63.15551	0.5
68.49567	0.5
70.00306	1.7
70.00700	0.8
84.87479	0.4
137.05968	0.9
153.31570	0.4
164.02011	0.4
165.06981	5.8
167.08537	0.7
169.21217	0.4
171.07982	0.6
176.06216	0.6
177.09970	0.5
178.07764	4.2
179.08549	1.9
180.09322	0.7
181.06477	0.7
181.08731	0.5
182.07283	1.6
183.08067	1.1
189.07034	1.1
190.07741	2.1
191.08496	2.3
192.05624	0.5
192.09305	1.2
193.06477	3.3
193.10052	0.5
194.07231	1.2
195.08040	3.7
196.08784	0.8
197.09604	4.2
201.12624	0.4
202.07802	0.7
204.05717	2.0
205.06506	3.0
206.07237	3.0
207.08051	2.4
208.08824	12.1
209.09488	2.3
210.06723	1.2
211.07387	0.9
218.07217	1.7
219.08009	7.5
220.05219	2.4
220.08722	2.0
221.06046	5.5
221.09564	7.3
222.06726	0.9
222.10352	1.3
223.07573	1.1
223.11122	3.2
224.08334	0.5
225.09114	5.3
226.09523	0.5
232.08772	0.6
233.05943	2.9
233.09555	0.8
234.06679	1.7
235.07539	16.1
236.08302	15.8
237.08987	2.5
238.06242	1.4
238.09805	1.1
239.06999	1.2
246.06755	6.3
247.07539	5.4
248.04759	0.8
248.08290	4.8
249.05522	2.6
249.09047	3.8
250.06349	0.6
250.09698	1.0
251.06996	1.5
251.10667	11.7
252.11197	0.5
253.04936	0.6
253.06062	0.6
253.08588	5.8
254.09328	1.9
260.08344	0.5
263.07028	29.1
264.07764	12.9
265.08542	6.0
266.05731	1.9
268.10501	0.7
277.08609	0.7
278.09369	1.9
279.10150	48.3
280.10809	4.2
281.08069	35.3
281.11200	1.1
282.08490	1.5
293.08063	0.6
295.09570	1.4
296.10413	53.2
297.10760	2.4
311.12753	100.0
312.13104	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94846	0.3
53.07917	0.4
55.01899	0.5
58.06615	0.4
68.10905	0.4
69.73220	0.9
69.73631	1.6
79.05481	0.6
81.07047	0.4
93.07051	0.7
97.02878	0.4
98.20831	0.6
100.34036	0.4
104.35249	0.3
105.07034	0.8
119.08629	0.4
137.06032	1.2
152.06236	0.5
153.07039	0.6
165.06956	4.0
166.07777	0.8
167.08569	0.7
176.06248	0.5
177.07036	1.2
178.07787	4.9
179.08565	3.7
180.09358	1.5
181.06473	0.9
181.10095	0.4
189.06935	3.0
190.07758	5.5
191.08545	14.9
192.09354	1.7
193.06485	3.6
193.10109	1.1
194.07277	3.5
195.08047	1.5
202.07793	2.1
203.08588	1.4
204.05789	0.4
205.06468	3.7
206.07249	6.1
206.15546	0.4
207.08058	8.9
207.10034	0.4
208.08832	6.3
209.09619	1.8
210.06827	0.5
217.06525	0.8
218.07257	3.9
219.08049	11.8
220.08827	3.7
221.06000	4.3
221.09515	2.9
222.06749	3.6
223.07460	0.9
223.11169	2.6
225.09113	0.8
231.08057	6.0
233.06003	2.4
233.09653	1.1
234.06796	2.3
235.07542	14.5
236.08315	41.1
237.09088	11.9
238.06242	9.5
238.08757	0.6
238.09641	0.4
246.06801	1.3
247.04904	0.8
247.07544	25.8
248.08327	41.4
249.05582	1.9
249.09053	4.3
250.06209	0.6
250.09894	1.4
251.06902	1.2
251.10683	14.6
252.07770	0.5
252.10979	0.7
253.08595	11.0
254.08972	0.5
261.09143	1.5
262.09903	1.3
263.07043	7.8
264.07803	45.6
265.08582	32.7
266.05801	1.0
266.09003	1.0
267.10165	1.0
277.08575	1.1
278.09421	0.6
279.10159	100.0
280.10892	26.7
281.08093	19.0
281.11194	1.3
282.08380	0.6
295.09705	1.4
296.10437	26.9
297.10751	0.9
311.09372	2.0
311.12753	37.6
312.12982	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28112	0.4
62.56555	0.4
69.94321	2.9
71.05003	0.5
79.05502	0.7
81.07054	0.9
85.08047	0.5
87.50741	0.4
91.05470	0.9
91.59204	0.5
94.04189	0.6
97.06541	1.0
105.07038	1.3
107.04961	0.7
109.06484	0.9
109.69076	0.5
121.10117	0.6
122.03647	1.3
129.07045	0.5
131.08553	0.6
133.06421	0.5
133.10118	1.4
137.05972	12.8
144.05743	0.8
155.04996	0.6
155.08565	0.5
157.51572	0.5
159.08015	0.9
161.06010	1.1
165.06967	4.6
166.07825	0.9
167.08542	1.1
172.05116	0.8
176.06174	0.9
177.06975	0.5
178.07782	3.6
179.08522	1.0
180.09303	1.1
180.34903	0.5
181.06477	1.1
182.07280	1.8
183.08067	1.7
187.07489	3.9
189.06987	1.9
190.07738	3.7
191.08545	6.6
192.09277	1.3
193.06451	3.0
194.07349	1.2
195.08014	4.1
196.08846	1.0
197.09647	4.1
199.07605	0.8
204.05728	2.2
205.06502	3.1
206.07271	3.4
207.08051	2.7
208.08827	14.0
209.09572	2.4
210.06743	1.3
210.10342	0.7
211.07622	1.0
211.11275	0.7
218.07242	2.8
219.08038	14.0
220.05200	2.7
220.08794	3.2
221.06033	5.7
221.09590	6.2
222.06750	1.5
222.10284	1.1
223.07512	1.7
223.11191	3.9
224.08319	1.3
225.09105	5.9
231.07906	0.5
232.08768	0.5
233.05972	3.6
233.09453	1.1
234.06790	1.8
235.07527	16.6
236.08316	18.0
237.09079	3.0
238.06232	1.2
238.09831	2.0
239.06921	1.0
239.10655	1.0
240.07803	1.0
246.06747	5.7
247.07509	10.7
248.04628	1.0
248.08263	5.2
249.05431	3.1
249.09102	6.0
250.06259	1.0
250.09769	1.3
251.07104	2.5
251.10658	17.4
252.07675	0.9
252.11108	0.6
253.04857	1.0
253.08597	6.9
254.09337	1.4
261.08997	1.6
263.07025	28.3
264.07773	13.5
264.10574	0.8
265.08533	6.4
266.05765	2.1
266.09177	1.1
267.10159	1.5
267.13776	1.0
268.07355	0.9
268.10693	0.6
277.08649	2.4
278.09537	2.3
279.10159	54.1
280.10745	4.6
281.08093	40.1
282.08475	1.8
283.09503	2.0
294.11343	1.2
295.09735	3.3
296.10425	55.6
297.10690	2.7
309.83310	0.5
311.12762	100.0
312.13016	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	310.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01866	3.9
55.05498	9.0
57.03407	4.0
58.06599	4.2
67.05476	9.1
69.03417	7.3
69.07060	9.8
70.77046	2.8
70.92128	6.6
70.92486	7.0
71.04970	3.2
79.05486	8.0
81.07059	15.6
82.07369	5.4
85.06536	4.7
91.05472	14.9
92.05787	6.9
93.07033	15.8
93.41042	3.5
94.07368	10.4
95.04955	4.6
95.08609	11.4
96.08937	7.3
97.06519	25.7
105.07023	27.7
106.07367	21.8
107.04926	4.8
107.08575	15.6
108.08920	13.8
109.06524	5.4
110.10469	3.8
111.08076	3.8
114.45316	3.0
117.06998	8.7
118.07342	5.3
119.08575	31.5
120.08912	32.6
121.06450	4.1
121.10114	7.3
122.10497	4.6
123.08046	7.1
124.08411	4.6
129.06973	5.2
130.07310	5.9
131.08580	9.4
132.08887	10.7
133.10114	21.9
134.06868	4.2
134.10455	29.5
136.08348	3.9
137.05945	4.0
142.07756	6.6
143.08389	14.4
143.55940	2.9
144.08849	15.7
145.10141	18.8
146.10406	29.3
147.08011	6.5
147.11662	10.3
148.08391	9.1
148.12000	19.0
150.09940	3.8
156.08980	4.2
157.10178	17.7
158.10437	40.4
159.11577	7.7
160.08455	4.1
160.11998	20.0
161.09601	6.3
161.13298	7.9
162.09961	15.6
162.13577	23.7
164.11565	6.0
165.12825	4.4
172.12032	5.4
173.09592	4.3
174.09978	10.4
175.11125	14.7
175.14825	6.8
176.11528	37.4
176.15108	15.6
185.13278	9.1
186.13585	48.5
188.15105	7.4
189.12746	6.1
190.13077	12.0
191.10603	4.5
192.11136	6.6
196.12061	4.4
203.14311	22.8
204.14633	100.0
214.13039	16.6
219.08060	7.3
221.15358	4.9
222.15715	27.3
231.13766	11.4
232.14139	83.3
235.07497	7.9
247.07466	6.4
249.14911	9.6
250.15227	52.5
251.10500	4.5
263.07043	14.3
268.16278	11.6
278.09366	15.7
293.11722	49.2
310.10855	3.9
310.17386	7.7
311.12622	9.1
311.16171	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	310.1472
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.05503	7.5
58.06574	1.3
58.99587	2.3
62.55313	1.1
67.05498	1.6
68.05035	1.4
69.03424	2.4
69.07048	2.8
70.02946	3.5
70.06577	5.3
71.63097	2.5
72.08150	1.6
72.42121	1.3
76.02197	1.4
79.05489	3.5
80.69656	1.1
81.03392	1.2
81.07050	2.8
83.04988	9.8
83.69555	1.2
84.08132	3.7
87.17767	1.1
88.03986	38.5
89.84251	1.2
90.57851	1.1
91.05467	3.6
93.07011	2.5
95.08555	1.3
98.06052	1.3
103.05424	1.7
105.07033	21.1
107.04975	2.4
107.08611	11.3
107.93049	1.3
108.08125	2.2
109.06503	1.8
111.02660	4.1
114.10275	3.1
115.10603	1.6
119.08575	14.1
120.01186	1.9
120.08096	2.6
121.10104	2.0
122.09624	2.0
123.04477	1.5
123.08087	2.0
124.07565	3.6
125.04204	6.9
131.08551	3.6
133.06470	4.0
133.10104	5.2
136.07545	1.5
137.04201	27.6
137.05867	6.5
139.05754	18.4
140.05254	2.3
144.09387	2.3
145.10161	6.5
147.04361	1.3
147.08099	2.0
147.11694	18.0
150.09126	1.7
151.05733	2.2
159.11676	12.3
161.09651	3.5
161.13269	11.7
161.14494	1.9
163.05760	3.1
165.07289	3.4
166.06789	2.9
167.05269	3.1
171.11629	2.1
173.09567	2.6
174.10431	1.6
177.05434	1.4
179.08855	6.9
180.08423	1.7
181.10446	10.6
187.11182	6.0
188.11955	1.7
189.12737	24.2
191.14328	7.2
193.10417	5.8
197.65009	1.4
205.10463	2.0
205.14635	4.1
206.15494	2.2
208.07945	2.8
209.06168	2.1
212.07402	8.5
219.08011	1.5
221.08121	2.5
221.09935	12.9
222.05379	1.7
223.11510	32.1
224.11801	1.6
226.08904	10.0
247.11440	1.2
250.04977	1.8
250.08774	5.7
251.06897	1.7
252.10545	4.5
253.11398	1.4
264.14069	1.5
270.67331	1.3
292.13776	1.8
293.11929	5.1
295.04739	1.3
310.07275	3.4
310.10846	6.8
310.14679	100.0
311.05408	1.3
311.09064	2.2
311.15201	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	310.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56623	0.4
58.06619	0.5
67.05502	0.6
70.77601	1.8
72.90605	0.5
74.25678	0.5
80.05708	0.6
81.07060	1.2
91.05450	0.8
91.18774	0.6
92.05872	0.6
93.07037	0.8
95.08609	0.7
97.06504	1.2
103.72553	0.5
105.07020	0.6
106.58811	0.6
107.08541	0.8
142.65677	0.5
148.04729	0.7
155.08650	0.6
178.07765	1.4
179.08626	3.1
183.08217	0.6
189.06941	4.3
190.07764	9.1
191.08524	5.2
192.09245	0.9
193.10158	0.6
197.13242	0.7
202.07776	10.1
203.08525	5.4
205.06453	0.9
205.10114	2.2
207.08073	3.8
208.08797	1.7
215.14275	0.9
217.06433	2.3
217.08810	1.8
218.07283	44.5
218.09564	4.9
219.08008	11.6
220.08769	2.4
221.06032	2.6
221.09592	7.7
222.06769	0.5
222.10246	1.3
229.07646	1.8
233.09602	100.0
234.10326	15.5
235.05147	1.0
235.07556	18.3
235.11325	2.9
236.08284	3.2
237.09155	0.9
245.08528	0.7
247.07529	1.4
249.09035	2.2
250.09843	17.9
250.12274	25.8
251.10268	0.9
251.12695	0.8
259.07526	0.7
260.10703	1.3
261.09119	0.9
262.09604	0.5
263.07068	3.8
265.12238	24.1
266.12457	0.9
277.08249	0.5
278.09204	3.3
278.11868	4.8
279.09824	1.2
293.11740	8.3
294.12122	0.6
310.11002	1.3
310.14334	3.1
311.12988	0.7
311.16312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	Labdenediol
Peak:m/z	Relative Intensity
55.01857	3.3
55.05511	20.7
57.03424	2.5
57.07073	8.6
58.06594	3.3
59.04998	1.9
62.06602	1.4
65.87663	1.4
66.08096	1.6
67.05504	38.8
69.03403	2.7
69.07067	40.2
70.94332	1.5
71.05002	2.4
71.08629	2.9
71.62643	2.8
79.05485	15.1
81.03409	2.6
81.07054	100.0
83.08627	18.1
85.06543	41.8
91.05476	8.2
93.07042	31.8
95.04965	6.6
95.08607	79.3
97.06515	6.2
97.10174	12.9
99.08096	29.8
105.04514	1.8
105.07037	12.6
107.04937	2.2
107.08595	43.8
109.06511	1.9
109.10154	59.7
111.08079	12.9
111.11720	7.9
113.09657	8.4
119.04971	2.8
119.08578	6.5
121.10146	24.8
123.04406	2.7
123.08073	1.7
123.11696	34.9
125.09618	8.3
125.13232	1.7
127.11199	3.3
133.10104	10.9
135.04414	2.2
135.11717	19.0
137.13239	14.6
139.11197	3.3
147.04376	5.4
147.11665	6.8
149.13257	30.0
151.14818	4.5
153.12729	3.9
161.09566	3.7
161.13257	4.2
163.03894	5.5
163.14827	18.9
167.14255	3.0
171.11769	1.7
175.14729	2.4
177.16357	8.1
178.07744	2.1
179.08427	1.7
181.15858	1.6
189.16367	3.3
190.07643	1.6
191.08568	2.1
191.17940	4.7
193.19556	2.2
195.07983	1.6
195.17320	2.5
203.08519	2.4
203.17906	4.1
205.06500	1.8
209.06264	1.3
215.94659	1.6
217.19492	6.8
218.07281	2.2
219.07967	2.2
221.06042	2.6
223.07526	5.2
227.19989	2.0
231.08038	2.5
234.06764	3.7
235.07513	2.9
235.20523	3.0
245.08026	3.1
246.08684	6.7
247.24229	3.3
249.07245	3.4
249.09389	2.2
251.07060	3.7
260.08112	1.6
265.08725	1.7
265.25226	4.9
266.11868	2.0
267.10205	8.4
273.25769	10.0
277.08606	5.2
281.11646	4.4
291.26807	17.7
294.08820	3.2
309.11356	17.4
309.16550	2.6
309.27866	26.0
310.10843	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	310.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04324	0.5
59.63864	0.5
69.92019	0.5
70.15589	1.4
70.15983	0.7
73.38841	0.6
111.40926	0.4
113.67254	0.6
178.07777	0.6
179.08519	2.1
189.06941	0.8
190.07741	2.8
202.07788	1.1
203.08598	1.5
205.06482	0.8
205.10271	0.7
206.07318	0.6
207.08047	3.8
207.25323	0.5
218.07262	1.6
219.08116	2.3
220.08751	1.5
221.06071	0.6
231.08058	3.5
232.08752	2.6
233.05980	1.0
233.09607	1.9
235.07549	13.2
236.08273	0.9
238.43515	0.5
243.07803	0.5
245.05972	0.7
246.06764	1.4
247.07542	6.9
247.09892	0.9
248.08321	1.9
249.09105	2.2
259.07529	4.3
260.08295	2.5
261.05511	1.3
261.09058	3.9
262.06717	1.0
262.09879	8.4
263.07040	39.8
263.10022	1.3
264.07391	1.0
277.08597	6.4
278.09360	45.0
279.09726	1.5
288.54413	0.5
293.11707	100.0
294.12045	4.9
310.14340	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	309.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17604	9.4
53.39282	8.1
55.05522	42.7
55.94808	7.8
57.07079	46.1
62.23783	8.3
67.05484	31.9
67.21083	10.3
69.07068	78.3
70.06581	10.1
71.08604	23.3
79.05493	10.5
81.07060	87.2
83.08609	52.2
83.92133	7.2
85.06555	9.7
85.32899	7.9
93.07024	10.5
95.08605	100.0
96.05507	8.5
97.10181	50.4
109.10143	56.4
111.11707	16.2
119.40601	8.8
123.11710	15.4
137.13303	9.7
174.66730	7.8
292.30017	21.3
293.11832	9.9
309.29761	24.9
310.10565	11.8
310.31030	36.0
314.13455	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	309.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05508	35.0
57.03435	2.6
57.07069	11.1
59.04995	4.1
63.68554	1.2
65.03932	1.3
67.05503	24.3
67.05867	1.3
69.03434	2.8
69.07066	100.0
70.17654	6.3
71.04984	2.7
71.08646	2.4
79.05487	13.8
81.07053	85.6
82.07384	1.6
83.04993	3.0
83.08611	23.8
85.02910	1.6
85.06544	6.2
89.03927	3.2
91.05474	9.3
93.07040	21.5
95.04983	4.1
95.08604	71.3
96.08932	1.3
97.06528	14.3
97.10162	7.1
98.20760	1.4
99.08102	10.9
105.07022	9.1
107.04974	2.3
107.08588	21.4
109.06538	3.0
109.10154	26.2
109.10821	1.8
111.08092	3.5
111.11719	25.9
111.12435	2.0
111.81961	1.1
113.09635	1.3
117.03398	2.9
117.06997	1.3
119.04958	3.2
119.08596	10.0
121.10148	13.4
123.08088	1.9
123.11720	11.4
123.23339	1.2
125.09636	1.9
129.06989	2.1
129.12770	1.8
131.08585	1.8
133.10149	5.0
134.58076	1.1
135.04410	8.2
135.11679	10.1
137.13248	30.6
139.11169	13.2
140.11467	1.3
145.02875	5.4
145.10133	2.1
145.35059	1.1
147.04405	13.1
147.11749	4.4
148.04793	1.4
149.09572	1.2
149.13231	14.5
151.11220	1.5
151.14789	2.1
153.12683	1.4
155.08676	1.3
157.10139	1.7
157.12222	1.8
159.11760	2.8
160.16084	1.2
161.13295	4.0
163.03912	43.7
163.14813	7.6
164.04271	2.4
165.07056	3.6
167.08578	2.4
167.14374	2.2
177.05513	1.8
177.07104	1.2
177.16446	3.1
178.07732	5.6
189.07025	3.1
189.16418	2.4
190.07829	2.7
191.08546	3.4
191.17999	2.1
192.09404	2.0
193.06552	2.5
195.08136	4.6
196.08693	1.3
202.07851	2.4
203.08586	2.6
204.05745	1.4
205.06587	5.5
206.07245	7.0
207.08052	2.9
208.08797	12.2
209.09619	3.3
217.06583	1.9
218.07368	3.8
219.08069	7.2
220.08954	3.2
221.06071	5.9
221.09576	10.6
221.19107	2.7
222.10223	1.3
223.07619	5.1
223.11272	3.0
225.09151	1.8
227.20129	5.3
231.07990	2.1
233.06046	6.2
233.09708	3.7
234.06705	7.7
235.07539	9.1
236.08347	16.9
237.09055	4.0
238.09952	1.8
239.20219	1.7
246.06789	2.8
247.07629	7.0
248.08389	6.2
249.05540	2.7
249.09096	14.2
250.09781	3.3
251.07024	7.4
251.10800	11.5
261.09317	3.0
262.06381	2.1
262.09900	2.2
263.07037	23.1
264.07770	10.9
265.08649	3.5
273.25784	2.4
277.08594	17.5
278.09241	22.5
279.06638	10.2
279.10272	22.1
280.07397	1.8
280.10712	2.8
281.11838	8.3
291.10104	1.4
291.26788	7.8
293.08246	5.7
293.11664	29.1
294.08945	25.1
295.09283	3.2
309.11310	97.5
309.27917	10.9
310.11578	11.9
310.14816	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00507	3.1
53.03947	6.6
55.01855	8.8
55.05504	47.1
57.03427	6.7
57.07078	7.7
57.56358	3.0
58.32087	2.6
65.03932	2.9
66.92728	2.5
67.05501	100.0
69.03430	5.4
69.07066	38.0
69.41471	7.7
69.41890	20.2
71.04994	3.1
71.08623	14.0
79.05486	59.2
81.03410	28.5
81.07052	72.8
82.07365	4.2
83.04977	8.7
83.08624	19.3
85.06525	5.8
91.05477	38.5
92.05801	3.1
93.07039	65.0
95.04953	37.9
95.08599	46.7
95.09167	4.8
97.06520	9.6
97.10154	29.4
99.08067	17.2
103.05442	3.0
105.07017	59.0
107.08590	46.7
109.06508	12.3
109.10136	35.4
111.08074	3.2
113.88055	2.7
115.05465	2.8
117.07017	12.3
119.04937	3.3
119.08581	35.1
121.06529	5.2
121.10133	44.0
123.08080	5.6
123.11703	8.2
125.09626	28.0
128.06172	4.1
129.06975	11.5
131.08549	15.2
133.10117	33.5
135.08041	9.3
135.11682	19.5
137.09599	3.5
141.06989	3.5
142.07808	6.5
143.08551	15.6
145.02885	3.1
145.10130	24.5
147.04416	8.9
147.08020	5.0
147.11662	23.1
149.09602	4.3
149.13214	13.7
151.11168	19.4
153.09132	3.3
155.08534	4.1
156.09323	3.0
157.10136	22.7
158.10947	3.3
159.11688	17.6
161.09647	5.5
161.13348	14.4
163.03912	11.3
163.11221	4.7
163.14772	3.9
165.07018	5.7
165.12657	3.3
167.08559	3.5
169.10115	9.4
171.11713	6.7
173.09590	4.6
173.13240	11.3
175.14909	6.4
179.08614	6.6
179.14330	3.6
181.10103	3.8
183.11702	8.0
185.13255	11.6
187.14812	9.9
189.12775	4.0
193.10107	4.4
193.15825	4.4
195.11670	5.6
197.13220	8.1
199.14786	6.3
203.12750	21.7
203.14293	2.8
209.13252	6.7
211.14819	5.7
213.16380	3.4
217.19400	3.6
221.13312	4.2
225.12852	3.1
231.12851	4.1
231.21049	4.9
233.13232	3.4
235.07666	5.6
235.14769	4.0
235.16924	3.3
241.19456	5.6
247.07486	6.1
249.22139	3.8
253.15955	3.9
259.20636	7.2
263.06958	9.9
265.19415	5.2
277.21628	72.6
278.09238	17.2
279.06339	6.7
291.20950	7.1
293.11804	18.4
294.08759	3.2
309.10300	5.2
309.21768	41.0
309.28607	3.6
310.14154	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	4.3
55.01860	3.3
55.05507	15.3
57.03426	3.2
57.07067	3.4
59.40615	1.1
64.72701	1.1
65.03922	1.6
66.29977	1.2
67.05500	40.5
69.03422	1.8
69.07063	18.5
69.50909	10.3
71.04990	3.6
71.08627	53.8
78.51202	1.2
79.05489	42.6
81.03410	9.0
81.07056	47.5
82.07392	1.5
83.04971	13.2
83.08607	9.3
85.06577	3.1
91.05478	27.7
93.07039	60.1
95.04963	10.0
95.08603	38.2
97.06520	9.4
97.10164	4.4
99.08089	42.3
105.07027	18.8
107.04962	5.9
107.08592	32.0
107.09145	0.8
109.06523	3.7
109.10167	12.8
111.08084	3.6
113.09681	2.0
117.07021	4.7
119.08591	14.5
121.06522	1.9
121.10142	30.7
123.04422	1.3
123.08082	1.2
123.11721	2.0
125.65258	1.1
127.11243	1.5
129.06989	3.1
131.08562	4.2
133.10123	12.1
135.11694	37.3
137.09628	3.8
139.11142	1.8
141.09087	5.6
143.08563	2.4
145.10141	6.1
147.04413	1.8
147.11716	4.5
149.13269	11.8
151.11186	17.5
152.23732	1.2
153.12740	2.6
157.10141	1.3
159.11697	3.6
161.13248	11.1
163.11212	6.8
163.14795	2.4
165.12758	1.1
167.10677	2.2
171.11729	1.8
173.13184	1.5
175.11287	1.3
175.14751	2.1
177.12755	2.7
179.14302	100.0
180.14656	2.7
180.16852	1.2
181.12288	1.4
185.13293	2.5
189.12756	3.6
195.13844	2.2
221.15385	3.8
226.54607	1.6
235.16954	5.2
249.22397	1.2
259.20493	5.9
277.21609	49.6
278.21896	1.6
309.24188	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	18.2
55.01870	38.0
55.05506	28.1
57.03437	13.2
57.07088	4.2
58.06601	4.3
65.03951	4.9
67.05502	63.9
69.03424	13.4
69.07063	23.7
70.27113	9.4
71.05000	17.4
79.05486	45.8
81.03415	44.3
81.07052	81.2
83.04971	43.9
83.08611	11.8
85.02888	5.0
85.06533	7.6
89.03922	7.3
89.72282	2.9
91.05472	40.0
93.07040	47.2
95.04962	39.4
95.08596	46.7
96.24050	2.4
97.02861	5.6
97.06519	47.0
97.10175	6.4
98.21409	2.8
99.04451	17.9
99.08098	9.8
103.05489	4.0
105.07027	40.3
107.04961	23.6
107.08585	27.3
109.06510	42.2
109.10149	17.9
111.04433	100.0
111.08086	8.4
112.04802	2.9
113.05988	5.8
115.05418	2.9
117.03396	8.0
117.06989	19.1
118.98041	2.9
119.04932	20.6
119.08566	27.8
121.06510	9.9
121.10155	14.8
123.04446	6.2
123.08041	22.4
123.11697	6.5
125.09618	6.3
128.06192	5.3
129.07028	13.3
131.08565	20.2
133.06500	7.0
133.10147	21.5
135.04405	20.5
135.08032	22.7
135.11691	19.0
137.09645	10.8
141.06973	8.6
142.07770	5.2
143.08548	12.8
145.02843	13.5
145.06502	9.6
145.10095	16.7
147.04407	69.9
147.08044	5.9
147.11719	7.5
148.04834	4.3
149.09625	12.8
149.13254	7.0
151.11176	6.2
153.06972	2.6
153.09142	14.3
154.07704	3.5
155.08519	6.8
157.10156	11.4
159.08044	6.6
159.11662	18.3
161.09628	11.9
161.13240	6.7
163.03893	86.7
163.11104	2.9
164.04211	4.4
164.76749	2.7
165.05498	2.6
167.08595	4.8
169.10156	6.8
171.11719	7.1
173.09566	3.0
173.13199	3.7
175.07532	3.6
175.11218	13.7
177.05412	4.3
177.12791	9.8
179.10730	3.1
185.09662	3.1
185.13246	12.0
187.11189	12.1
189.12869	5.1
191.08662	4.4
193.12262	3.3
195.13823	8.9
199.14940	3.6
203.14328	9.0
205.08362	2.7
205.12230	5.7
207.07974	3.9
213.05505	6.1
213.09114	5.0
217.15826	15.0
219.08046	5.4
219.13972	3.4
221.15407	8.0
223.07463	3.2
223.13208	2.8
227.17827	3.2
231.13837	9.4
233.05916	3.8
233.09673	3.4
235.07472	9.8
236.08278	5.0
241.14323	8.8
245.19051	3.1
247.07544	8.3
249.09143	5.3
249.14873	11.8
251.06906	3.2
251.10751	4.4
255.17323	4.5
262.09790	3.4
263.06985	15.0
263.10916	2.5
263.20212	3.3
265.12231	4.0
266.07471	4.1
273.18466	25.8
277.08508	5.7
278.09186	35.5
279.06567	6.8
279.09738	3.2
281.11624	4.6
291.19534	83.2
292.19736	3.6
293.11664	46.0
293.14700	3.8
294.09033	13.2
300.23627	3.0
309.09167	12.2
309.11124	20.0
309.14868	18.2
309.20563	17.5
310.07150	6.2
310.10605	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	309.2209
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
51.02349	2.2
53.03931	4.1
55.01861	3.9
55.05507	16.0
57.03422	5.0
57.07055	4.2
65.03923	2.3
67.05498	31.8
69.07060	22.2
69.42699	21.0
79.05067	1.9
79.05489	33.2
81.03419	5.3
81.07055	45.7
83.05005	3.3
83.08609	7.2
91.04955	3.4
91.05479	46.5
93.07039	67.5
95.04961	55.0
95.08600	36.8
97.06532	16.0
103.05468	4.5
105.04529	2.4
105.07022	86.0
107.04945	3.8
107.08587	38.5
109.06509	11.2
109.10159	21.6
115.05424	6.6
117.06996	21.9
119.08573	65.0
121.06511	10.6
121.10133	100.0
123.08064	10.6
123.11685	6.9
127.74766	1.8
128.06206	8.2
129.07007	16.9
130.07774	5.1
131.08559	33.9
133.06496	3.1
133.07469	2.3
133.10118	44.4
135.08009	7.6
135.11693	12.1
137.09558	2.3
141.06978	7.9
142.07779	19.1
143.08560	32.1
144.09290	7.3
145.06462	2.4
145.10110	54.8
147.08040	5.5
147.11665	14.1
149.09535	2.5
149.13226	2.7
153.06923	2.2
154.07768	4.3
155.08566	13.5
156.09317	16.0
157.10120	40.4
158.10822	4.2
159.08063	4.0
159.11682	37.4
161.09560	8.7
161.13219	5.7
165.07014	3.3
166.07724	2.3
167.08527	6.0
168.09393	3.0
168.71150	2.0
169.10109	15.7
170.10912	5.4
171.11693	23.4
172.12292	1.9
173.09636	5.3
173.13264	20.9
175.11153	4.2
175.14801	6.9
178.07889	2.2
179.08522	4.6
181.10101	8.7
182.10875	3.7
183.11697	20.1
185.09625	2.1
185.13248	11.9
187.11127	9.9
187.14825	17.4
189.12663	2.5
189.16316	2.6
192.09450	2.2
193.10115	4.8
194.10870	4.1
195.11623	10.8
196.12463	4.6
197.13216	17.4
199.11340	2.0
199.14812	10.6
200.15520	2.2
201.12790	2.5
205.10040	2.3
206.10832	3.7
207.11653	5.7
209.13239	11.2
210.13925	2.3
211.11194	2.3
211.14767	10.0
212.73692	2.0
213.12856	2.4
213.16399	4.8
215.14180	3.6
219.11705	2.6
220.12425	2.9
221.13203	5.6
223.14752	6.9
225.12656	4.1
225.16344	5.8
227.14136	2.8
235.14760	8.3
237.16171	2.2
239.14204	3.5
239.17979	6.2
240.18564	2.2
241.15918	2.9
249.16327	4.5
251.17856	3.1
253.15747	6.6
253.19629	2.7
263.06897	2.7
265.19641	4.5
267.17487	2.5
278.09296	4.6
281.22568	9.2
291.21066	12.7
293.11575	5.5
309.22064	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.43866	5.9
53.03943	9.2
55.01878	24.0
55.05505	31.8
57.03435	9.2
57.07100	4.6
67.05499	79.5
69.03433	7.1
69.07058	40.2
71.04987	8.1
71.08633	7.7
71.61391	5.7
71.63732	6.8
75.03318	5.2
79.05491	53.4
81.03403	7.7
81.07052	93.2
82.98721	5.1
83.04976	19.8
83.08622	13.8
85.06551	8.8
89.03941	4.8
91.05467	50.7
93.07043	68.1
95.04984	17.7
95.08609	46.4
97.06503	11.3
97.10170	9.9
103.05441	4.9
105.07034	55.1
107.04964	17.8
107.08601	50.3
109.06523	15.5
109.10146	72.4
111.04432	8.6
111.08088	11.8
117.07017	11.6
118.98637	4.9
119.04984	9.3
119.08606	23.4
120.13320	4.9
121.06506	17.8
121.10159	18.4
123.04455	6.1
123.08083	13.6
123.11727	11.0
125.05971	6.0
125.09655	5.3
128.06219	6.5
129.06995	12.1
131.08578	18.8
133.06537	12.7
133.10132	100.0
135.04471	7.8
135.08116	7.8
135.11707	16.6
137.09650	7.4
139.07549	8.5
143.08563	11.7
145.02829	10.7
145.10081	10.4
147.04404	15.0
147.08055	16.7
147.11711	8.5
149.09645	14.6
151.11157	50.8
157.10159	12.0
158.03099	6.3
159.11719	7.1
161.09662	14.3
161.13309	6.4
162.10005	5.9
163.03864	39.1
163.11169	9.2
165.09038	6.4
169.12262	17.3
171.11662	10.4
175.11160	8.5
177.05507	11.5
189.12692	7.8
189.33527	5.2
203.14244	5.8
217.15988	6.4
219.07913	6.0
235.07526	9.7
244.18318	5.0
245.18947	15.3
263.07013	12.8
263.20142	14.8
273.18472	36.5
278.09387	21.8
279.06595	8.0
279.09836	6.1
291.19522	72.9
293.11801	24.4
294.08807	15.4
309.11252	26.9
309.20688	21.7
309.24289	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.05513	5.5
57.07076	1.3
67.05510	7.8
69.07069	10.7
71.08633	0.9
71.17902	1.9
79.05487	7.5
81.07060	13.8
83.04962	0.7
83.08630	1.8
85.06541	1.7
91.05480	12.4
93.07042	12.8
95.04971	2.1
95.08607	12.7
105.07029	18.7
106.01366	0.6
107.08589	28.7
108.08924	0.7
109.06516	2.5
109.10151	5.6
115.05428	1.5
117.07044	5.2
118.46764	0.8
119.08578	18.0
121.06508	1.5
121.10153	7.5
121.20744	0.9
123.08044	1.0
123.11685	2.2
128.06197	3.7
129.07011	6.4
131.08553	13.1
133.06502	2.1
133.10136	6.3
135.08049	2.1
135.11722	1.9
137.05980	1.0
141.07019	3.0
142.07759	7.6
143.08565	11.2
144.09305	2.2
145.10121	13.8
147.11693	4.8
148.68895	0.8
149.05923	1.3
149.13249	1.5
151.07550	4.0
153.07021	1.5
154.07765	2.1
155.08560	11.1
156.09315	4.6
157.10132	19.0
158.10857	1.5
159.08047	1.1
159.11685	19.4
161.13257	3.1
163.07591	1.1
163.14871	1.3
165.07004	6.1
166.07816	2.1
167.08598	6.5
168.09348	3.8
169.10124	12.4
170.10806	1.2
171.11655	14.0
171.12973	1.2
173.06078	1.0
173.09698	0.9
173.13264	5.4
175.14798	1.8
178.07768	2.3
179.08574	8.5
180.09296	4.9
181.10121	12.9
182.10927	3.3
183.08044	0.9
183.11716	11.8
184.12445	1.3
185.09554	1.0
185.13281	5.3
187.07527	1.7
187.11154	1.0
187.14867	2.5
189.09053	0.8
191.08553	1.8
192.09290	5.3
193.10114	14.0
194.10887	5.2
195.11694	20.4
196.12482	2.2
197.09692	1.8
197.13269	9.6
199.11307	0.8
199.14825	3.9
201.09077	1.9
201.16498	1.8
205.10141	3.2
206.10966	6.9
207.11699	17.1
208.12535	6.3
209.13268	17.2
210.14030	2.1
211.11162	2.4
211.14786	5.4
213.09146	1.0
213.16452	2.0
215.10760	1.8
215.17952	1.2
219.11697	4.9
220.12495	3.3
221.09807	1.5
221.13246	24.1
222.13994	2.6
223.11214	2.4
223.14810	17.8
224.15569	1.4
225.09084	1.5
225.12750	2.0
225.16396	4.8
227.10608	2.6
227.18001	2.0
229.12302	2.3
233.13252	7.3
234.14102	3.6
235.11200	2.5
235.14850	7.4
236.15523	1.4
237.16344	4.4
239.10637	4.5
239.14336	1.9
239.17943	5.0
240.11494	1.0
240.18730	2.2
241.12291	2.7
248.15553	6.2
249.12791	2.9
249.16425	3.4
250.17165	2.6
251.14355	4.8
251.17947	2.0
253.12299	6.1
253.15907	0.9
253.19490	6.3
254.20436	1.1
263.17947	43.6
264.18594	2.8
265.19537	13.2
267.13840	3.8
267.17377	1.7
267.21069	1.5
273.16455	2.1
276.15115	1.0
281.15872	1.5
281.18948	9.9
281.21799	1.3
291.17499	8.7
291.20663	1.1
293.11731	1.1
309.18506	100.0
309.21802	4.4
309.25699	36.8
310.18939	2.4
327.19400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1848
Annotation	Menaquinone
Peak:m/z	Relative Intensity
53.03955	0.6
55.05508	3.7
57.07068	0.6
64.88491	0.4
65.03925	0.5
67.05502	4.8
69.07065	4.7
71.04971	1.0
74.61742	0.4
75.23853	0.4
79.05487	5.9
81.07057	9.8
83.04984	0.7
83.08601	1.6
85.06528	3.1
91.05482	9.9
93.07048	9.5
95.04972	1.3
95.08604	8.1
98.20711	1.2
105.06294	0.6
105.07027	13.3
107.08591	15.5
109.06505	1.8
109.10154	4.0
115.05453	1.1
117.07034	4.4
119.08575	13.1
121.06533	0.8
121.10139	5.1
123.08054	1.1
123.11749	1.1
128.06250	2.8
129.07013	5.5
130.07745	1.1
131.08568	8.7
133.06479	1.0
133.10136	5.2
135.08034	1.8
135.11707	1.2
141.06979	3.5
142.07777	4.6
143.08553	9.7
144.09343	1.4
145.06526	0.8
145.10127	10.8
147.08052	1.1
147.11697	3.8
149.05960	0.9
149.09650	0.6
149.13260	0.9
151.07570	1.8
153.06970	1.7
154.07779	1.4
155.08554	9.6
156.09331	2.8
157.10129	16.9
158.10858	0.9
159.08022	0.7
159.11696	10.2
161.09665	0.9
161.13239	0.9
163.07498	0.9
165.06992	5.4
166.07788	1.8
167.08569	7.0
168.09354	2.9
169.10126	14.5
170.10899	0.7
171.08015	0.8
171.11693	10.3
173.09634	1.4
173.13222	3.4
175.07539	0.9
175.11163	0.6
175.14783	1.0
178.07758	2.3
179.07016	1.0
179.08551	9.2
180.09337	4.7
181.10124	11.2
181.33401	0.5
182.10886	2.5
183.08057	0.8
183.11694	8.8
185.09590	0.7
185.13275	3.8
187.07538	1.1
187.11211	0.9
187.14879	1.5
188.78943	0.5
189.09119	1.0
191.08539	1.3
192.09396	4.8
193.10120	10.5
194.10899	6.5
195.07970	0.6
195.09889	1.1
195.11688	16.8
196.12436	2.3
197.09604	1.8
197.13257	7.3
199.07556	1.6
199.11212	0.7
199.14835	2.2
201.09152	2.2
201.12691	0.5
201.16426	1.2
203.10649	1.0
205.10126	2.0
206.10927	4.5
207.11681	19.8
208.12445	4.4
209.09868	1.1
209.13257	23.1
210.10493	0.6
210.13936	1.6
211.07539	1.3
211.11143	1.1
211.14766	4.2
213.09087	1.8
213.12750	0.8
213.16293	1.9
218.10774	0.7
219.11679	5.2
220.12497	3.1
221.09753	1.1
221.13242	15.0
222.13940	2.2
223.11227	1.7
223.14818	12.9
224.15547	1.1
225.09218	2.3
225.12790	1.8
225.16385	2.1
227.10687	2.0
227.18030	1.0
229.12207	0.9
229.58055	0.7
231.38100	0.6
233.13269	5.4
234.10455	0.6
234.13908	2.6
235.11201	2.0
235.14847	6.2
236.12080	0.5
236.15515	1.1
237.16382	6.2
238.13503	0.6
239.10638	3.0
239.14230	1.5
239.17941	2.1
240.18660	1.0
241.12262	1.0
248.15579	4.5
249.12741	2.0
249.16339	5.0
250.17072	1.9
251.14287	1.9
251.17867	2.4
253.12250	6.0
253.15898	1.1
253.19485	5.0
263.17950	38.5
264.18604	3.2
265.19507	24.4
266.20084	1.2
267.13803	2.3
267.17480	0.9
267.21069	1.3
273.16315	1.6
281.15421	2.7
281.19022	10.3
281.22141	1.1
291.17484	7.7
309.18500	100.0
309.21729	4.6
309.25781	23.7
309.29688	1.8
310.18936	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	309.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.6
67.05518	5.5
69.07058	7.7
71.04984	3.0
71.24983	7.4
73.23373	3.0
79.05473	6.6
81.07034	12.9
83.04956	3.2
85.06535	7.8
91.05460	10.8
93.07034	7.1
95.04977	6.6
95.08598	12.3
105.07028	23.5
107.08582	10.8
109.10156	6.3
117.07015	9.9
119.08564	10.3
121.06543	4.1
128.06203	6.1
129.07057	7.2
131.08542	7.9
133.10164	3.5
135.08044	3.5
143.08536	18.3
145.06448	6.0
145.10139	29.4
147.04427	8.2
147.08049	3.3
155.08553	13.3
157.10139	7.8
159.11736	9.0
163.03961	21.2
165.06973	9.8
171.08040	6.3
171.11639	8.3
173.09619	21.1
180.09264	3.7
185.13258	14.5
190.07803	4.0
195.11687	9.9
203.14371	3.9
205.06529	5.5
206.07210	4.6
208.08823	11.0
213.12764	18.4
218.07187	5.0
219.07999	7.7
220.08835	3.4
221.05945	3.9
221.09561	7.6
231.13820	38.1
233.05908	4.1
233.09607	4.0
235.07535	6.1
236.08266	18.7
237.08995	3.1
247.07587	5.6
248.08327	4.8
249.09204	4.1
251.07010	4.4
251.10654	13.5
263.07028	13.4
264.07715	9.7
277.08569	4.5
278.09317	16.1
279.06589	9.7
279.10147	28.2
291.09848	3.4
293.08087	5.4
293.11670	13.7
294.08960	21.0
309.11255	100.0
310.11151	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	309.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68650	1.2
69.69079	1.6
105.08778	0.3
123.43872	0.3
146.51581	0.3
151.73021	0.4
161.08813	0.3
165.06966	2.8
167.08543	0.6
176.06149	0.9
177.06967	1.7
178.07652	0.5
178.61664	0.4
179.08534	1.1
189.06953	1.7
190.07709	1.4
191.08574	2.1
193.06508	2.4
196.29185	0.5
204.05615	0.5
205.06477	7.0
206.07240	1.0
207.08084	2.0
208.08755	1.0
209.05875	1.0
217.06450	0.9
218.07280	0.6
219.08041	2.3
220.08740	2.0
221.05959	2.8
221.09392	0.6
222.06706	0.6
223.07558	5.8
233.05916	5.2
233.09494	0.4
234.06691	0.8
235.07527	20.8
236.08272	2.6
237.05428	1.2
237.09097	0.9
246.06857	0.5
247.07533	4.0
248.08188	1.5
249.05469	2.9
249.08963	1.8
250.05930	0.6
251.07011	8.3
251.10732	1.0
252.57451	0.4
259.07440	0.7
261.05463	5.0
262.06161	2.1
262.09784	0.4
263.07013	26.1
264.07709	1.8
265.05081	2.4
265.08490	3.7
266.09402	0.6
276.07742	0.6
277.08585	4.1
278.09354	100.0
279.06531	44.4
279.09830	4.1
280.07312	2.9
293.08096	1.1
293.11661	7.1
294.08841	51.4
295.09174	1.2
309.11188	41.4
310.11435	0.6
317.45316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1119
Annotation	Moracin D
Peak:m/z	Relative Intensity
55.01793	0.2
55.05441	0.3
55.05696	0.2
56.62991	0.1
67.05407	0.5
69.03363	0.2
69.06968	0.8
71.08553	0.2
71.65336	0.2
73.09519	0.1
79.05425	0.3
81.06953	1.0
83.04900	0.2
83.08562	0.2
85.06480	0.3
86.58658	0.2
89.03795	0.1
91.05376	0.5
93.06961	0.4
95.08601	0.9
97.06458	0.1
98.98382	0.1
99.08025	0.2
105.06934	0.2
107.08484	0.4
109.10043	0.4
111.07977	0.6
111.11606	0.2
117.03309	0.2
119.04912	0.8
121.10011	0.4
123.11620	0.2
125.09539	0.2
132.01192	0.2
133.10040	0.2
135.04289	0.4
135.11639	0.2
137.13179	0.2
139.11064	0.2
145.02771	0.3
147.04398	2.5
149.13124	0.2
150.09477	0.2
152.06116	0.4
153.06885	0.6
157.11641	0.1
163.03929	1.3
165.06946	2.7
166.07712	0.3
167.08574	1.0
169.06299	0.2
176.06184	0.8
177.05469	0.3
177.06900	0.6
178.07755	4.6
179.08546	1.3
180.09215	0.5
181.06496	0.8
183.07945	0.2
189.05609	0.2
189.06970	1.8
190.07761	2.8
191.08530	1.9
192.09383	0.7
193.04811	0.2
193.06474	2.6
193.09991	0.4
194.07191	0.8
195.08049	3.5
196.08696	0.4
202.07748	1.3
203.08533	0.9
204.05673	1.0
204.09250	0.2
205.06474	4.2
205.10123	0.2
206.07251	4.2
207.08025	1.9
208.08821	11.7
209.05927	0.5
209.09547	2.3
210.06674	0.3
210.10370	1.2
211.07419	0.4
217.06467	0.6
218.07249	3.0
219.08043	5.5
220.05266	0.3
220.08798	2.7
221.06039	4.9
221.09578	7.5
222.06792	0.9
222.10349	0.8
223.07574	3.6
223.11096	2.6
224.08255	0.7
226.06279	0.2
231.08020	0.3
232.05019	0.2
232.08768	0.3
233.05963	6.0
233.09546	3.2
234.06720	2.1
235.07536	6.2
236.08304	16.6
237.05319	0.5
237.09058	2.3
238.06110	0.3
238.09908	1.6
239.10590	0.2
245.05908	0.3
246.06779	2.5
247.07532	3.8
248.08310	3.6
249.05421	2.5
249.09036	5.6
250.06071	0.3
250.09834	1.0
251.06982	5.3
251.10616	12.3
252.07722	1.2
252.10513	0.2
253.12161	0.2
261.05508	0.5
261.09082	1.0
262.06201	0.6
262.09760	0.2
263.07019	13.4
264.07797	10.5
264.10123	0.2
265.04929	0.7
265.08511	2.5
266.06573	0.2
266.09384	1.6
267.06720	0.2
267.10049	0.8
276.07690	0.3
277.08560	3.5
278.09341	12.7
279.06522	9.4
279.10107	20.9
280.07184	1.7
280.10349	0.9
281.11740	0.4
291.10135	0.4
293.08133	5.0
293.11661	0.9
294.08838	26.8
295.09259	0.6
309.11194	100.0
310.11462	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1116
Annotation	Moracin D
Peak:m/z	Relative Intensity
57.03467	0.3
66.89569	0.2
69.03463	0.8
69.70512	2.0
71.05013	0.4
81.03442	1.1
81.07088	0.5
83.04974	0.2
85.02484	0.3
85.02888	1.3
91.05500	1.2
91.31210	0.2
93.07071	0.6
95.04995	0.6
97.02877	0.4
97.91498	0.3
98.20885	0.6
99.04482	0.3
105.07053	0.4
109.02920	0.6
109.06565	0.3
109.36294	0.3
112.00261	0.3
119.04950	2.4
123.33201	0.3
141.07018	0.3
145.02870	0.3
147.04390	8.9
147.05472	0.5
152.06219	0.4
153.07011	0.8
163.03949	1.1
164.06242	0.3
165.05692	0.5
165.06998	2.4
166.05067	0.3
166.07816	0.8
167.08539	2.0
168.05693	0.7
176.06242	0.6
177.05447	0.9
177.07040	1.6
178.07750	9.6
179.08537	2.9
181.06528	0.8
182.07298	0.4
183.04378	0.3
183.08023	0.3
189.06958	6.2
189.08495	0.4
190.07753	3.7
191.08553	8.6
192.05675	1.3
192.09344	1.2
193.06485	1.4
193.10097	2.9
194.07343	0.8
195.08064	2.8
196.08865	0.3
202.07773	4.5
203.08543	4.2
205.06468	10.2
205.10201	0.8
206.07236	8.0
207.08038	2.3
208.08781	1.2
209.05960	0.5
209.09711	0.3
210.06879	0.5
216.05690	3.7
217.06462	5.3
218.07265	6.3
218.09285	0.4
219.04602	0.4
219.08041	8.7
220.05205	1.0
220.08842	2.0
221.06023	2.6
221.09567	6.7
222.10339	0.4
223.03957	0.4
223.07520	3.2
224.08333	1.2
225.09100	0.7
229.06589	0.4
230.07292	0.8
231.08090	0.8
232.08942	0.4
233.05959	19.3
233.09685	1.1
234.06741	9.1
234.09247	0.3
234.16566	0.3
235.07518	3.5
235.11244	1.1
236.04727	0.6
236.08293	1.0
237.09079	0.4
245.05890	2.0
246.06767	1.8
247.07533	3.6
248.08279	3.5
249.05580	1.3
249.09128	16.1
250.06224	0.8
250.09821	1.3
251.07021	20.6
251.10530	0.6
252.07622	0.8
259.07492	1.3
261.05481	8.6
261.09033	0.9
262.06207	3.4
263.06912	1.5
263.10632	1.1
264.07861	0.5
265.08600	2.4
266.09369	12.5
267.10025	1.1
275.07004	3.4
276.07846	2.7
277.08594	7.9
277.11624	0.4
278.05722	0.5
279.06540	9.0
279.09998	0.7
281.11719	15.3
282.12064	0.4
291.10172	8.0
291.13403	0.4
293.08075	1.9
294.08847	37.8
295.09241	1.2
309.11185	100.0
310.08087	0.4
310.11441	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	308.0915
Annotation	Peruvianine
Peak:m/z	Relative Intensity
60.56470	0.4
70.95301	1.3
80.64088	0.3
90.26384	0.3
91.42860	0.3
105.06998	0.4
191.07240	2.6
218.05923	0.4
219.06776	15.9
220.07127	1.1
223.06458	0.5
230.12622	0.5
233.31598	0.4
235.06203	0.5
236.06976	0.9
247.06267	15.8
248.06815	0.6
250.04984	2.7
251.05676	1.3
262.08737	0.4
264.06494	4.0
265.07150	1.4
272.54413	0.4
274.05008	1.8
275.05740	48.9
276.06409	4.0
277.11072	0.4
278.04440	0.8
292.06012	58.3
293.06772	28.2
294.07095	0.8
307.04810	0.5
308.09143	100.0
309.09360	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	308.128
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42410	0.4
65.92885	0.3
67.05470	0.4
69.07104	0.3
69.47251	0.9
69.47677	1.9
81.07045	0.5
90.78647	0.3
93.07054	0.4
98.20742	0.6
100.11238	1.0
111.37727	0.3
133.10152	0.3
136.07585	0.8
137.07927	0.5
138.09119	0.6
139.09496	0.8
163.03908	0.5
164.07088	1.1
165.07378	1.6
166.85355	0.3
179.08568	1.5
180.09361	0.4
189.07048	0.4
191.08569	1.9
192.09299	0.6
195.08072	0.3
203.08521	0.4
205.06491	1.3
206.07306	0.9
207.08028	0.6
217.06522	0.6
217.08803	0.5
218.07312	0.4
219.08058	2.4
231.08119	0.8
233.05994	0.5
233.08220	0.8
234.06744	1.3
234.09166	1.7
235.07547	0.9
237.09090	0.5
244.07579	48.7
245.08342	100.0
246.08815	3.5
247.07510	2.4
248.08286	1.2
249.09093	4.4
250.05928	0.7
250.08560	0.4
251.07025	0.5
259.07565	4.1
260.08362	15.3
261.05505	0.4
261.07623	1.9
262.08591	0.8
263.06967	1.6
264.07782	0.8
265.08499	0.4
275.06931	0.4
276.10202	22.9
277.10898	3.3
278.05234	0.6
278.08072	0.6
279.10245	0.8
288.55167	0.4
291.10135	22.1
292.10364	1.1
293.07559	0.9
293.10547	0.7
308.09781	1.1
308.12784	18.2
308.18311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.11682	0.8
53.03935	1.5
53.44409	0.7
55.01852	2.3
55.05510	12.0
57.03436	1.8
57.07082	5.3
59.04998	4.6
64.53654	0.7
65.03948	1.2
67.05499	25.5
69.03411	3.2
69.07066	25.2
71.04975	2.6
71.08618	1.4
71.62735	1.4
79.05065	1.3
79.05495	15.6
81.03414	1.0
81.07053	63.3
83.04967	2.1
83.08614	7.8
85.06542	8.7
86.87466	0.7
87.04461	1.8
91.05466	11.0
93.07043	28.1
95.04978	3.7
95.08603	61.1
96.08958	1.3
97.06523	5.9
97.10149	4.9
99.08074	2.8
105.07033	21.6
107.08588	25.7
109.06509	4.6
109.10152	33.6
111.08094	4.5
111.11717	4.1
115.05417	1.4
115.07555	1.8
117.06994	4.5
119.08579	14.5
121.06514	2.2
121.09317	1.4
121.10135	18.4
123.08047	3.4
123.11705	15.8
125.09607	3.9
125.13247	0.8
127.03934	0.9
128.06233	2.3
129.06973	4.9
130.07771	0.9
131.04915	1.4
131.08560	10.4
133.06448	1.5
133.10129	10.7
135.08028	1.5
135.11685	17.4
137.09610	5.0
137.13277	6.3
139.11194	3.8
141.06996	1.5
142.07777	5.6
143.08554	7.4
143.10654	1.0
144.09273	2.2
145.06441	4.8
145.10117	7.3
147.08054	1.4
147.11671	9.9
148.10477	0.8
149.09621	0.9
149.13254	14.4
150.13635	0.9
151.11154	2.1
151.14766	2.4
152.31323	0.7
153.06960	0.9
153.12682	1.1
155.08521	4.1
156.09332	1.9
157.10115	16.2
158.10770	1.7
159.08044	5.8
159.11671	16.5
160.08607	1.0
160.11955	1.0
161.09573	1.0
161.13234	7.5
163.03918	2.4
163.11124	1.2
163.14862	5.4
165.09117	0.8
165.12723	3.0
165.16309	1.3
168.09367	7.4
168.10710	1.0
169.10066	2.6
171.11679	3.4
173.05988	1.3
173.09608	0.9
173.13281	8.4
175.11214	4.8
175.14801	4.6
177.05545	0.9
177.16376	3.2
179.14317	1.2
179.17880	1.1
181.10190	0.9
183.11679	14.4
184.12035	1.3
185.13287	4.3
187.07574	1.3
187.11171	14.6
187.14821	1.7
188.11510	0.8
189.09184	0.9
189.16365	4.1
191.07100	3.5
191.17935	1.2
199.11139	5.2
200.11546	1.0
201.12737	8.7
201.16489	1.4
202.13196	1.2
203.17896	1.0
205.08775	0.9
205.19614	1.2
207.06825	1.4
207.17439	1.1
211.11246	3.4
215.17990	2.3
217.12227	8.7
219.06714	2.1
229.12213	11.9
230.12607	1.5
231.06461	2.1
231.21059	1.9
235.06204	4.4
236.07051	1.0
237.07771	1.0
245.08327	1.2
245.22751	1.2
247.13277	38.9
248.06955	1.2
248.13664	1.8
250.08662	9.8
263.05927	1.2
264.06357	3.0
265.07391	7.3
271.24213	5.3
276.06491	7.8
277.04965	1.3
277.07870	0.8
277.10947	2.2
278.05408	1.0
278.08078	6.3
281.08078	1.3
289.25284	9.4
290.08218	2.6
292.05975	19.1
293.06857	11.7
307.08023	6.1
307.15030	4.2
307.26273	18.7
308.09167	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	307.2628
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03923	2.0
55.01875	1.6
55.05508	19.1
57.03432	1.8
57.07072	8.6
62.90582	1.2
67.05499	35.3
69.03426	2.2
69.07062	45.1
69.73811	1.1
69.82928	6.2
70.73232	1.3
71.04980	5.4
71.08609	3.1
71.78165	1.2
79.05491	25.6
81.07051	100.0
83.04973	2.7
83.08619	15.4
85.06541	13.6
91.05473	12.6
93.06457	2.4
93.07040	45.4
95.04943	5.6
95.08599	88.7
97.06506	6.4
97.10162	10.8
99.08092	8.6
105.07023	29.2
107.04937	1.6
107.07857	1.8
107.08589	38.1
109.06499	5.6
109.10149	48.4
111.08060	7.5
111.11700	8.9
113.09617	3.5
117.07013	3.9
119.08572	21.7
121.10132	31.8
123.08025	4.4
123.11699	23.2
125.09606	5.7
127.11208	2.8
131.07693	1.2
131.08539	7.3
133.10132	19.8
135.08052	1.7
135.11688	28.5
137.09621	8.1
137.13246	4.8
139.11153	6.9
143.08595	2.2
145.10109	10.7
147.11676	17.0
147.93549	1.3
149.13252	23.1
151.11188	4.0
151.14816	4.0
153.12651	1.3
155.10664	2.8
159.11708	10.5
161.13226	18.4
163.03972	1.4
163.11052	2.6
163.14795	12.6
165.12749	5.8
165.16374	1.1
173.13200	7.1
175.14792	10.4
177.12749	1.9
177.16388	6.0
179.14311	3.6
179.17888	3.0
187.14783	4.5
189.16342	7.5
191.17949	2.5
193.15788	2.2
201.16362	5.0
203.17917	2.7
207.17378	1.9
215.17940	6.0
217.28853	1.3
229.12248	3.1
231.21022	2.2
233.18970	2.3
244.07558	2.0
245.08344	3.2
245.22575	2.8
249.05443	2.4
263.23660	2.2
271.24115	14.9
277.04822	2.7
277.25357	1.4
289.25241	31.4
291.10165	1.6
292.07239	4.2
307.09534	5.1
307.26270	45.5
308.09698	1.7
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	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03950	2.4
55.05510	23.1
57.02805	1.2
57.03425	2.5
57.07073	9.8
58.06499	1.3
59.05003	2.9
67.05166	1.9
67.05502	33.6
69.03417	2.0
69.07066	61.0
69.48075	9.6
69.48499	3.7
71.04991	4.7
71.08617	4.3
79.05487	22.1
81.03441	1.9
81.07054	100.0
83.05000	6.9
83.08611	17.9
85.06543	18.1
91.05479	15.3
93.07037	39.0
95.04955	11.5
95.08602	79.5
97.06532	7.1
97.10172	8.6
98.20644	2.4
99.08089	9.7
101.99611	1.4
103.03936	1.5
103.52732	1.3
105.07023	29.3
107.07858	2.6
107.08587	42.9
109.06519	4.5
109.10151	48.7
109.10910	3.0
111.08095	8.1
111.11713	13.5
111.71997	1.4
113.09648	1.8
117.06993	3.9
119.08583	24.1
121.10136	31.2
123.08057	4.9
123.11704	24.3
125.09654	7.5
127.11139	1.9
131.08551	9.9
133.10126	18.3
135.08098	1.3
135.11687	38.8
137.09634	7.2
137.13252	9.2
138.19020	1.5
139.11163	9.7
142.07759	2.1
143.08612	1.6
144.09373	1.4
145.06480	1.8
145.10118	10.6
147.11685	19.0
149.13248	19.3
151.11150	2.3
151.14833	2.5
153.12708	2.3
155.08530	2.0
155.10652	1.4
157.10149	2.9
159.11684	16.5
161.13258	15.5
163.03886	3.2
163.11189	2.4
163.14851	11.0
165.12762	8.2
167.14331	1.6
168.09361	1.9
171.11732	1.8
173.13228	6.8
175.14775	6.9
177.16307	6.6
179.14337	3.4
183.11691	3.5
187.11200	4.1
187.14824	4.2
189.09113	2.8
189.16385	6.6
191.07050	1.7
191.14246	2.2
191.18015	2.1
195.17516	2.6
201.12767	5.7
201.16379	3.2
203.17940	2.6
215.18001	4.3
229.12233	5.9
236.06616	4.1
244.07646	2.5
245.08434	4.1
245.22617	2.2
247.13275	15.0
249.05498	3.2
261.07724	1.9
261.25879	1.9
262.08707	1.9
271.24185	12.0
277.04907	3.1
277.11041	4.2
278.04593	2.1
289.25266	27.1
291.05185	2.1
292.05411	27.3
293.06671	1.8
307.07675	26.0
307.26312	46.0
308.09097	14.3
308.12842	6.8
322.24380	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01874	33.3
55.05513	58.1
57.03435	4.3
57.07076	4.1
67.05506	67.5
69.03439	4.2
69.07070	34.2
70.78978	9.1
70.79349	7.5
79.05492	73.6
80.05826	3.9
81.03427	9.3
81.07058	74.9
83.04965	6.8
83.08611	20.4
91.05471	54.5
93.07040	60.1
95.04951	20.9
95.08601	37.1
97.06531	35.2
97.10190	24.9
98.06070	15.1
99.06368	4.5
100.19710	3.7
105.07030	54.7
107.04970	21.3
107.08595	94.0
109.06508	34.2
109.10156	17.6
117.07027	14.7
119.08586	33.6
121.06532	11.2
121.10155	20.6
123.08072	10.1
123.11659	5.6
125.09635	25.6
129.07004	7.8
131.08546	35.4
133.10132	41.2
135.08052	14.8
135.11732	11.8
137.09636	9.4
138.06297	4.1
142.07770	6.1
143.08553	13.0
145.06511	3.9
145.10141	27.8
147.11681	19.7
149.09615	30.4
151.11212	9.1
153.09119	6.7
157.12228	4.0
159.11682	20.2
161.09645	4.9
161.13239	9.5
163.11197	11.8
168.00595	4.0
171.08090	3.5
173.13277	16.7
177.12737	8.9
183.11763	13.0
187.11224	5.0
189.09114	4.6
197.13266	3.8
201.12735	13.7
203.12787	18.4
205.88652	3.7
229.12265	16.1
239.17989	6.2
247.13353	12.0
247.20642	12.0
250.78722	3.6
251.16499	8.3
251.36084	3.5
257.19034	13.6
275.20053	100.0
276.20493	5.8
279.75534	3.6
289.21634	12.5
307.22797	42.1
307.28244	86.0
308.28735	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01871	22.2
55.05263	3.0
55.05511	40.2
57.03416	4.3
67.05502	45.4
69.03406	5.0
69.07065	28.1
70.34879	7.0
71.05000	4.8
71.57243	2.4
79.05492	58.8
81.03425	5.4
81.06585	3.2
81.07057	53.5
83.04988	7.6
83.08627	14.2
85.06534	3.2
88.59120	2.2
90.32632	1.9
91.05478	32.8
93.07043	40.7
95.04959	16.8
95.08614	30.6
97.06541	29.0
97.10175	23.5
98.06068	5.1
105.07028	50.8
107.04955	16.9
107.08591	68.4
108.10505	2.0
109.06510	14.0
109.10160	19.4
111.08100	5.1
117.07025	13.7
119.08593	27.8
121.06506	7.0
121.10137	15.4
122.10490	2.9
123.08062	7.6
123.11668	5.1
125.09634	27.5
128.06239	2.4
129.06970	6.3
131.08562	21.8
133.06471	4.1
133.10133	25.3
135.04385	2.3
135.08054	8.5
135.11707	11.1
137.09607	7.3
138.06273	2.4
141.06973	3.6
142.07826	2.7
143.08554	8.4
144.09322	2.7
145.06448	3.7
145.10130	22.1
147.08073	3.3
147.11681	16.4
149.09612	26.2
149.13242	4.8
151.11174	6.5
153.09116	5.1
155.08592	3.8
157.10120	8.0
159.11681	14.5
161.09663	4.0
161.13264	5.5
163.03922	4.7
163.11194	8.9
165.09052	4.2
165.12729	4.0
168.09401	3.0
169.10104	4.5
171.11679	5.8
173.13327	11.5
175.14799	2.8
177.12711	3.9
181.12292	2.4
183.11719	9.5
187.11220	8.6
189.09163	3.6
191.14388	2.2
201.12732	10.2
203.12744	16.9
208.13734	2.3
219.13829	3.4
219.17383	3.0
229.12312	15.0
229.19627	5.0
233.58440	2.3
239.17935	6.0
247.13287	7.8
247.20628	6.5
257.19003	14.6
275.20056	100.0
276.20419	4.0
289.21628	6.8
307.07797	4.0
307.22867	24.4
307.28217	45.5
308.09497	4.5
308.12955	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03941	6.9
55.01870	14.4
55.05510	34.7
57.03422	4.7
57.07085	3.7
67.05505	62.6
67.17254	2.3
69.03433	4.1
69.07066	25.0
69.72005	14.6
71.04985	3.9
72.36946	2.6
79.05492	50.2
81.03424	10.8
81.07058	100.0
83.04984	11.5
83.08620	12.2
85.06530	4.4
85.58380	2.4
91.04905	3.3
91.05480	50.8
93.07043	44.8
95.04966	26.1
95.08610	42.7
97.06515	16.3
97.10152	7.3
98.21565	4.7
99.08099	4.1
105.07033	56.7
107.04948	10.3
107.08591	31.1
109.06522	21.3
109.10147	29.2
111.08093	2.6
117.07005	13.5
119.08586	59.0
121.06505	8.3
121.10130	19.2
123.08057	12.3
123.11707	9.0
125.09642	3.6
128.06236	3.8
129.07022	4.1
129.76515	2.8
131.08563	22.6
133.06522	3.2
133.10135	40.6
135.08087	16.8
135.11694	11.0
137.05878	2.4
137.09616	19.2
139.11142	2.5
142.07773	4.4
143.08536	8.5
145.06447	4.3
145.10107	25.1
147.11671	24.7
149.09599	15.1
149.13277	6.6
151.11209	12.7
155.08563	3.8
157.10136	6.6
159.08034	3.9
159.11681	18.2
161.09654	5.8
161.13278	8.1
163.11227	9.2
165.12773	6.8
169.10117	3.8
173.09625	2.8
173.13332	12.4
175.11171	3.8
177.12805	4.4
179.47279	2.4
183.11729	6.8
185.13202	3.4
187.11189	4.9
187.14783	2.8
197.13184	2.7
201.12776	9.9
207.13893	2.9
219.17595	2.4
229.12218	10.7
229.19519	7.3
239.18098	4.2
247.13351	8.7
247.20563	10.6
257.19028	13.9
275.20071	94.7
276.20520	4.5
289.21649	6.5
307.08008	5.0
307.22717	36.1
308.09341	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03941	5.5
55.01882	10.1
55.05512	23.4
57.03432	3.7
57.07076	9.1
59.05026	2.4
65.03931	3.3
67.05504	38.6
68.05852	2.7
69.03442	4.5
69.07062	19.7
70.07394	1.8
70.67925	4.5
71.04995	4.1
71.08635	7.4
79.05489	31.4
80.05821	2.1
81.03419	6.3
81.06585	2.4
81.07059	43.1
82.07393	2.9
83.04985	5.5
83.08621	8.7
85.06536	4.4
91.05477	23.9
93.07054	30.4
95.04961	39.3
95.08607	26.5
97.06532	11.7
97.10175	7.9
98.06036	5.5
99.08099	8.3
102.43453	2.2
105.07026	31.5
107.04934	13.1
107.08588	33.8
109.06518	52.7
109.10138	9.3
110.10486	2.0
111.04451	1.9
111.08118	1.9
115.05449	2.3
117.07027	11.9
119.08595	23.8
121.06512	11.1
121.10171	11.9
123.08075	9.8
123.11680	2.8
125.09638	7.4
128.06229	3.1
129.07021	6.1
131.08562	18.2
133.06468	4.5
133.10175	14.6
135.08055	6.5
135.11688	6.9
137.05975	4.5
137.09618	6.6
142.07851	2.2
143.08589	11.7
145.06483	3.7
145.10138	14.7
147.08035	4.4
147.11703	8.9
149.06099	2.2
149.09656	10.3
149.13293	3.0
151.07628	2.8
151.11208	3.9
155.08572	5.1
157.10165	7.8
159.08098	6.6
159.11717	11.9
161.09660	4.1
161.13263	4.6
163.03961	1.9
163.11221	5.1
165.12756	100.0
169.10139	2.1
171.11661	3.4
173.06172	2.1
173.09718	2.8
173.13269	10.8
175.11203	4.5
177.12733	8.4
179.14352	2.6
183.11716	11.8
185.13254	6.2
187.11200	7.2
187.14841	3.1
189.09189	4.7
191.14322	5.0
201.12721	18.0
203.12769	3.7
203.14502	2.6
211.11226	3.0
217.15898	1.9
219.17484	5.7
229.12215	24.0
233.15297	3.2
239.18140	2.0
247.13295	13.6
247.20607	2.3
251.16484	8.5
257.19083	3.0
261.22198	8.6
265.14398	2.9
275.20050	28.7
277.11145	3.4
289.18597	3.7
289.21631	28.7
307.08035	5.0
307.19208	7.3
307.22699	85.5
307.28143	40.1
308.09091	3.1
308.23053	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.5
55.01870	24.6
55.05515	15.4
57.03437	21.3
67.05500	38.8
69.07068	25.0
69.43250	6.2
69.43671	12.9
70.76747	2.0
79.05065	2.9
79.05492	38.7
81.03424	14.7
81.07055	70.9
81.73988	1.8
83.04960	7.8
83.08604	7.6
85.06559	8.7
91.05477	43.9
93.07042	39.5
95.01292	2.0
95.04953	12.9
95.08606	32.1
96.02887	1.8
97.06531	36.9
97.10157	5.1
99.04461	3.6
99.08064	4.7
105.07021	38.7
107.04980	12.3
107.08601	20.5
109.06519	23.4
109.10133	10.7
111.08103	3.4
117.07012	17.3
119.08573	26.3
121.06525	4.6
121.10154	15.4
123.08056	9.0
123.11648	2.3
125.09599	2.3
128.06227	1.7
129.06989	5.1
131.08542	21.5
133.10129	24.2
135.08061	4.5
135.11714	10.3
137.09615	8.7
139.11157	2.5
141.07016	2.9
143.08542	6.0
145.06422	3.1
145.10104	16.4
147.11703	11.0
149.09598	9.3
149.13246	6.3
151.03911	1.9
151.11147	4.5
157.10121	4.2
159.08142	1.9
159.11682	15.6
159.84554	1.8
161.13249	5.0
163.11227	4.6
165.09105	2.5
169.10179	4.2
173.13239	6.3
175.14737	2.3
177.12738	7.4
179.14337	6.0
183.11603	4.8
185.13234	8.3
187.11172	7.0
197.13310	2.0
201.12732	3.2
201.16370	6.7
203.14294	7.7
209.15353	2.9
219.17441	100.0
220.17645	2.2
229.12173	4.6
235.16936	4.3
239.17834	2.1
247.20470	2.9
257.19034	10.1
260.46591	2.0
275.20059	56.6
307.22946	10.6
324.80756	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.9
58.06601	4.3
67.05505	0.6
69.07048	0.6
70.06581	0.7
70.89566	1.3
74.02422	0.6
77.70939	0.4
79.94423	0.5
81.07045	0.5
84.04501	25.1
84.08138	100.0
85.08466	1.3
86.06068	6.4
86.09697	6.5
88.03990	2.4
99.09240	0.6
105.07037	1.0
113.07095	0.6
117.07011	0.8
118.06917	0.6
123.04456	1.2
126.12575	0.5
130.08646	1.5
131.08585	0.9
137.09537	0.5
137.21292	0.5
141.13878	6.7
143.08496	0.6
146.06036	1.8
157.10228	0.8
159.11772	0.9
169.13356	10.7
183.11746	1.3
187.11131	0.6
198.11259	1.5
201.12756	1.3
211.31938	0.6
215.13896	32.9
229.12265	2.0
243.17039	40.4
244.17386	1.2
247.13309	1.9
262.11038	3.5
262.61700	0.6
274.26804	0.5
307.16852	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	307.1537
Annotation	15-O-Acetylamphoricarpolide
Peak:m/z	Relative Intensity
55.05504	13.6
56.11737	4.3
57.03392	5.2
57.24177	4.9
57.82699	4.6
67.05498	14.6
69.07056	5.7
70.91073	17.3
79.05508	19.8
81.07066	27.7
91.05473	27.0
93.07023	18.6
95.04971	6.0
95.08600	18.5
97.06533	7.3
104.52242	4.9
105.07034	38.7
107.08585	23.6
109.06486	7.4
109.10184	9.1
117.07030	16.8
119.08584	18.4
121.06546	5.8
121.10140	7.5
123.08086	7.6
125.09645	5.1
128.06219	13.0
129.06982	12.9
131.08542	25.9
133.10138	7.9
135.08044	6.1
135.11749	7.0
137.09605	9.6
137.25945	5.4
141.06999	7.6
142.07773	11.5
143.08542	39.3
145.06528	7.6
145.10100	16.6
147.08031	6.9
151.07613	7.7
153.07043	8.9
155.08530	15.5
157.10132	23.3
159.08076	22.0
159.11693	33.5
161.09589	7.8
168.09386	14.8
169.10153	8.4
171.07994	6.4
173.05986	12.2
173.09613	9.6
173.13277	25.5
175.11214	11.7
177.09148	7.3
183.11711	46.3
185.09583	9.3
187.07538	8.7
187.11153	23.1
189.09091	31.0
201.12730	66.8
203.10716	17.3
211.11186	18.2
219.13768	11.4
225.94966	5.1
229.12209	100.0
247.13304	72.8
265.14301	14.6
275.20041	10.9
307.07910	16.4
308.08884	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1537
Annotation	Naematolon
Peak:m/z	Relative Intensity
55.01868	5.8
66.57871	5.4
67.05494	7.3
69.03455	8.1
69.64993	13.2
69.65400	35.2
79.05514	7.5
79.55864	5.0
81.07049	19.0
91.05474	17.4
93.07040	14.5
95.04985	6.6
95.08585	8.2
105.07034	26.6
107.08606	12.2
109.06516	13.1
109.10080	5.9
115.05428	8.0
115.55594	5.6
117.07041	13.4
119.08604	18.5
123.08089	7.7
128.06250	11.5
129.07022	11.1
131.08559	33.5
133.10092	12.7
135.11630	5.7
141.07004	10.9
142.07854	9.0
143.08533	35.4
145.06451	8.5
145.10126	26.1
149.06064	7.6
153.07034	6.8
155.08571	18.4
157.10129	32.9
159.08061	16.5
159.11726	23.7
161.09605	6.0
168.09299	16.8
169.10129	9.9
171.08047	10.3
173.05998	6.7
173.13228	16.5
175.11215	7.3
183.11688	41.5
185.09616	6.8
187.11183	22.5
189.09096	16.9
201.12721	56.3
205.12189	7.1
211.11333	11.0
219.13719	8.3
229.12215	100.0
229.14246	9.1
230.12535	7.9
247.13243	62.5
260.34378	7.2
265.14444	11.9
307.07809	9.5
308.09354	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84069	4.9
53.03937	5.6
62.31718	4.5
67.05503	11.1
69.32977	5.6
69.44405	7.9
69.44620	9.7
69.45029	37.9
79.05492	15.9
79.57393	5.0
81.07040	32.3
83.64936	5.1
91.05484	37.8
93.07057	26.8
93.73893	4.8
95.04926	5.9
95.08630	12.4
98.21486	9.8
105.07027	75.4
107.04932	6.4
107.08559	13.0
109.06506	6.6
115.05420	7.6
117.07011	36.7
119.08536	26.8
119.13411	4.8
121.06506	5.4
121.10136	6.0
127.57096	5.1
128.06189	19.4
129.06960	26.3
130.07750	13.6
131.08569	42.0
133.10129	13.0
137.05908	5.5
141.06999	15.8
142.07759	23.3
143.08575	39.5
144.09293	5.7
145.06442	9.7
145.10107	100.0
147.07977	9.1
147.11655	14.1
149.05949	6.4
153.06976	21.5
155.08540	41.3
157.10107	34.0
159.08076	17.3
159.11691	29.5
163.11186	12.0
166.05826	5.6
168.09320	31.5
169.06430	7.3
169.10083	16.0
170.02693	4.9
171.08014	7.1
171.11755	5.7
173.06113	5.7
173.09615	33.7
173.13266	15.9
180.66815	5.2
181.10133	7.9
183.11681	87.0
183.13179	8.4
185.09694	6.3
185.13293	14.6
187.11229	26.1
189.09032	6.6
191.10686	16.6
193.10080	10.0
201.12738	76.5
211.11169	34.3
219.13866	11.4
229.12215	75.5
247.13324	40.9
279.81284	5.4
289.14255	9.2
292.05954	5.7
293.06845	5.8
308.08997	6.5
325.16550	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	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86234	7.6
59.00955	7.5
59.01243	8.2
67.05502	10.0
71.09435	13.2
76.44456	7.3
79.05479	16.1
79.28799	7.9
81.07056	22.7
91.05468	15.3
93.07021	13.5
105.07032	41.8
107.08559	7.3
109.06512	7.8
115.05486	13.7
117.07008	15.3
119.08586	19.8
128.06216	24.9
129.07021	17.6
131.08548	36.0
133.10182	9.2
135.08061	7.7
137.09608	9.0
141.06949	12.4
142.07748	17.1
143.08594	50.8
145.06454	13.7
145.10121	21.7
146.44255	9.1
153.07027	12.7
154.07834	7.6
155.08554	20.4
157.10124	26.4
159.08081	18.7
159.11710	31.5
168.09418	38.9
169.10062	11.1
171.08054	9.5
173.13258	16.5
175.11179	13.8
183.11700	62.6
185.13258	7.7
187.07562	11.1
187.11137	51.9
189.09163	23.2
195.73070	8.8
201.12674	47.4
203.10724	7.9
209.78362	8.6
211.11203	14.2
219.13773	8.2
229.12201	100.0
247.13274	49.2
307.07892	12.3
327.94958	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	307.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.68222	1.4
55.01869	3.4
55.05511	11.3
57.03407	1.7
57.07061	5.7
59.04987	4.7
66.16850	1.6
67.05498	20.0
69.03434	4.3
69.07067	18.9
71.08617	2.1
71.65498	3.2
79.05489	11.6
81.03424	2.2
81.07053	51.4
83.08613	7.1
85.06535	6.6
87.04426	1.7
88.07591	1.7
91.05476	13.7
93.07040	21.7
95.04949	11.7
95.08597	43.1
96.62788	1.9
97.06532	6.5
97.10168	3.2
99.08094	2.1
101.13927	1.6
105.07018	19.8
107.08583	22.7
109.06528	3.7
109.10145	27.7
111.08098	3.2
111.11672	3.0
114.05232	1.6
115.89789	1.8
117.07014	8.0
119.08568	13.8
121.06512	2.3
121.10149	14.4
123.08073	2.5
123.11690	11.7
125.06009	1.9
125.09624	2.3
128.06219	2.9
129.07016	8.7
131.08551	14.6
133.10114	11.2
133.64841	1.6
135.08057	3.3
135.11674	12.4
137.09573	3.5
137.13243	3.8
139.11131	1.8
141.06967	4.1
142.07776	7.4
143.08542	13.3
144.09285	2.2
145.06473	9.2
145.10133	7.6
147.08015	3.1
147.11642	9.1
149.13268	9.7
151.11195	3.4
151.14809	2.8
153.04103	2.0
153.06908	2.2
155.08562	6.5
157.10107	27.5
157.11288	2.6
158.11023	2.0
159.08015	8.2
159.11694	20.1
161.13245	7.2
163.03940	2.2
163.14801	2.4
165.12750	4.3
168.09375	7.9
169.10121	5.4
171.11726	6.9
173.06017	2.0
173.09589	2.4
173.13260	10.5
175.11192	7.2
175.14757	2.4
183.11685	21.4
185.13293	5.4
187.11177	15.0
189.16365	2.8
191.07042	4.9
199.11234	5.1
201.12773	14.5
201.20349	3.0
205.08551	2.3
211.11188	5.4
215.17862	2.4
217.12210	11.7
229.12227	23.6
231.06671	3.3
235.06233	5.2
245.23102	2.4
247.13283	61.9
250.08572	9.8
264.06363	2.1
265.07343	6.8
271.24106	4.2
276.06573	7.1
277.10876	2.4
278.08041	8.2
289.25208	8.7
290.08075	3.4
292.05948	14.3
293.06647	9.3
307.07791	8.8
307.15424	5.4
307.26437	24.3
308.09152	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	307.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.6
55.01877	2.4
55.05513	12.9
57.03441	2.7
57.07067	6.0
65.89355	2.6
67.05501	23.2
69.03429	5.6
69.07067	27.3
69.58630	11.6
69.59039	6.0
70.12067	2.1
71.04972	4.6
72.24297	2.1
79.05492	39.6
81.03412	5.0
81.07053	50.0
83.04990	5.3
83.08607	7.4
85.06544	5.7
89.03926	2.3
91.05479	70.2
93.07044	50.9
95.04967	21.5
95.08603	37.9
95.90070	2.1
97.06519	7.7
97.10146	3.4
98.02592	2.5
103.05448	6.3
105.07029	90.8
107.04973	8.0
107.08591	28.6
109.06516	18.7
109.10162	21.8
111.08111	4.6
114.53572	2.0
115.04760	2.3
115.05402	11.7
115.10528	2.1
117.07013	36.5
119.04951	4.7
119.08578	35.7
121.06486	13.1
121.10150	7.5
122.58475	2.2
123.08082	5.0
123.11684	10.0
128.06224	30.4
129.06154	2.6
129.07019	39.8
130.07803	6.7
131.04872	3.2
131.08566	76.6
133.06476	15.5
133.10133	18.8
135.04456	2.9
135.08040	10.2
135.11679	9.7
137.05972	8.0
137.09593	2.9
137.13234	4.2
141.06981	24.1
142.07791	31.0
143.08560	68.2
144.09305	7.0
145.06473	8.9
145.10123	50.7
147.08041	10.3
147.11700	11.7
149.05908	2.3
149.09547	2.5
149.13318	4.6
151.07561	6.0
153.06969	8.6
154.07701	4.4
155.08556	41.9
156.09277	7.4
157.06470	2.7
157.10135	58.1
158.10822	4.1
159.08087	16.0
159.11684	49.8
161.05965	3.8
161.09586	11.5
161.13312	4.6
163.03928	10.5
163.07492	3.7
163.11209	4.4
163.14809	3.3
168.09328	34.3
169.10094	7.7
170.10901	4.6
171.11690	10.4
173.09595	5.2
173.13260	64.4
175.09671	2.3
175.11197	6.8
175.14799	17.3
178.07851	2.8
181.10178	3.9
183.11696	97.4
184.12218	4.2
185.09627	4.8
185.13274	28.7
187.07582	6.9
187.11153	7.8
189.09084	4.5
191.10794	2.6
191.14299	4.6
193.10152	4.3
196.08957	3.2
199.11073	5.3
201.12752	100.0
202.13107	4.6
203.14346	21.7
211.11171	14.3
217.12212	5.6
219.13831	18.2
229.12230	55.7
229.14520	3.2
230.12682	2.4
247.13298	32.6
250.08685	4.5
264.06223	6.6
265.07245	4.2
265.14337	12.1
277.11142	4.3
278.08041	3.2
279.51572	2.2
289.25302	3.0
307.07846	11.9
307.15466	31.4
307.26450	13.1
308.09219	35.5
308.12698	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	307.1537
Annotation	Phomadecalin B
Peak:m/z	Relative Intensity
51.11723	4.5
56.40241	4.4
67.05509	6.8
71.23079	4.2
71.29427	6.1
71.29745	6.9
71.47192	4.3
79.05489	5.4
81.07059	10.2
83.04964	4.8
84.28940	4.8
91.05480	10.4
93.07057	12.0
95.08593	7.1
97.06554	5.5
104.53169	4.7
105.07058	28.7
107.08581	13.5
117.07009	16.4
119.08588	12.8
121.06492	5.3
128.06221	12.8
129.07040	11.4
131.08572	26.4
133.10068	6.2
141.06952	6.4
143.08569	56.9
145.06424	7.2
145.10114	11.9
153.06993	7.8
155.08560	11.5
157.10124	19.4
159.08060	18.5
159.11728	17.8
161.09587	5.6
168.09372	13.8
172.75951	5.5
173.05959	6.2
173.13222	11.1
183.11673	41.2
187.07483	6.2
187.11182	17.1
189.09097	23.0
201.09253	5.4
201.12744	63.8
211.11203	11.7
219.13858	9.7
229.12219	100.0
239.82904	5.5
246.35390	4.7
247.13298	34.2
265.14502	6.6
276.72058	4.8
307.07999	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88006	1.2
52.97581	1.2
53.03949	8.9
55.01874	1.9
57.03424	5.8
61.02916	4.1
63.51590	1.7
65.03952	1.5
66.11534	1.3
67.05511	2.1
69.03432	33.0
69.07056	1.7
70.41171	2.8
70.41550	2.0
71.04992	7.6
73.02917	2.6
79.05485	2.4
81.03418	26.8
81.07048	3.8
85.02905	87.1
86.88749	1.4
91.05474	5.1
93.07034	2.5
95.04951	4.4
95.08607	3.3
97.02885	28.8
99.04449	46.7
103.03941	82.6
105.07042	3.8
109.02881	22.4
109.06498	2.0
119.08587	8.3
121.10151	1.6
127.03916	100.0
133.10089	2.6
145.04951	29.7
145.06026	2.5
147.11711	4.9
163.03935	3.7
163.06039	8.4
170.31602	1.4
183.06662	1.5
187.06026	6.5
203.07057	2.0
205.07062	3.4
243.10239	1.8
271.08234	2.2
307.09418	2.1
312.42648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05502	2.1
56.96563	100.0
57.03432	5.6
58.99871	1.7
60.05655	1.5
60.95853	1.7
61.02919	5.3
68.04667	1.1
68.05030	1.8
69.03423	9.7
69.44067	8.5
69.44469	3.5
70.02944	1.4
70.06595	7.8
70.98128	11.2
71.04996	3.3
71.95256	2.9
72.08155	2.1
73.02903	4.6
77.00880	2.3
81.03417	5.1
83.04980	2.7
84.04500	1.7
84.08138	5.4
84.96034	25.1
85.02903	18.5
85.03377	2.0
85.50648	1.3
86.03227	1.8
86.06073	1.6
87.04458	2.8
88.99151	7.4
92.98571	1.4
97.01463	1.3
97.02874	12.5
97.96800	18.5
98.09694	5.0
98.97580	79.1
99.04458	3.7
99.10018	4.6
100.99146	8.2
101.00878	17.0
102.97061	2.2
103.02454	5.1
105.00359	1.4
107.00190	2.0
109.02901	3.2
110.97557	18.1
111.98418	1.5
112.05088	4.6
112.08743	1.4
112.99135	11.3
113.00887	2.6
113.03439	2.7
115.00714	2.3
115.02434	10.3
115.03922	2.2
115.97840	10.0
116.07107	2.5
116.98621	39.7
117.04015	1.4
119.00159	3.3
119.01920	52.8
120.01987	2.6
121.01630	2.5
121.03465	4.4
121.96203	1.2
122.01656	1.4
124.99134	2.4
127.00697	3.2
127.02367	2.1
127.03913	5.0
128.02362	1.4
128.98607	28.4
129.03981	3.4
129.99405	2.2
130.01776	1.3
131.00180	30.0
131.01871	14.2
133.01707	2.6
133.03455	25.0
133.98830	1.7
134.03537	1.8
134.99663	17.2
135.03194	4.2
136.99144	3.0
137.02954	9.4
139.00662	2.0
140.71855	1.2
140.98622	4.2
141.99332	3.4
142.44246	1.2
142.96547	2.0
143.00145	7.2
143.01877	9.3
143.97269	1.7
144.10191	2.4
144.98053	1.9
144.99869	1.5
145.01746	7.9
145.03470	22.0
145.04771	2.4
145.10521	1.9
146.99652	24.9
147.05031	4.2
148.00470	2.1
149.01219	17.9
149.02948	5.6
151.04538	3.1
152.98607	4.0
153.00690	1.6
155.00140	10.4
155.01874	13.5
156.02637	1.7
156.98123	1.8
157.01648	6.7
157.03499	14.1
158.99675	18.8
159.01404	2.2
159.05038	9.1
160.00406	3.9
161.01263	11.7
161.02921	15.8
161.05598	3.7
161.98360	2.5
162.03041	1.8
162.99210	2.2
163.02785	18.5
163.04520	6.3
165.00716	17.6
167.02153	2.6
168.99889	3.0
169.01884	1.5
169.04596	3.0
170.06158	3.0
170.99658	7.5
171.01105	1.1
171.01651	1.1
171.03242	2.1
171.05066	3.0
172.00455	2.4
173.01241	18.9
173.02983	18.6
174.99179	5.5
175.02766	8.6
175.04529	15.3
175.11862	1.6
176.04840	1.9
177.00711	24.6
177.02263	2.0
177.06052	5.2
178.04903	9.1
179.02301	4.6
181.03876	6.6
181.98837	3.6
182.99727	2.9
183.01805	2.3
184.97729	1.6
185.01320	2.7
185.02953	5.1
187.01105	7.8
187.02756	6.7
187.04292	9.8
188.97075	2.5
189.00752	10.2
189.02318	2.2
189.04341	6.2
189.06087	4.3
190.01347	1.7
190.98628	1.6
191.00616	1.8
191.02278	14.0
191.04041	5.2
193.00159	9.8
193.03860	2.7
193.05476	2.1
193.55472	1.5
195.01756	3.7
195.07111	1.8
199.00940	1.7
199.04544	6.0
199.99937	2.4
201.00706	4.2
201.06235	1.6
203.02342	2.4
203.03926	6.2
203.99478	2.6
205.01915	4.1
205.03897	6.1
205.05556	4.1
205.07259	1.8
206.98080	1.7
207.01830	6.0
207.05374	2.5
211.01176	2.5
215.00417	10.7
215.02243	2.8
217.00124	2.7
217.03786	2.4
217.05635	4.9
219.01747	16.6
219.03603	3.0
219.07178	4.2
221.05080	14.5
223.04800	3.3
225.02831	1.5
227.06760	1.6
229.01955	3.4
229.05603	2.1
229.12155	1.6
231.07137	2.4
233.03220	2.7
233.05188	2.0
235.01262	5.4
235.06615	2.9
237.02821	40.6
239.06172	2.0
245.05174	4.9
247.02852	14.7
247.04747	5.1
247.06998	15.8
249.08122	4.6
251.04205	2.3
255.03793	3.5
260.04449	2.3
265.05692	83.0
265.08133	9.5
266.06012	1.6
267.09357	2.4
270.04602	1.4
275.00986	1.6
275.04315	1.9
279.03891	1.4
283.06998	73.2
284.07327	1.6
288.07581	5.0
289.04126	1.9
301.08072	2.6
306.08423	2.8
307.06860	72.8
307.15900	7.1
307.59137	1.5
321.10336	7.2
325.08041	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	307.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44603	1.0
56.96563	47.4
68.09560	1.0
69.03423	1.8
69.90107	5.1
70.39046	1.0
70.98090	2.2
71.95246	2.4
72.50760	0.9
73.02886	1.2
74.97591	1.6
83.89632	0.9
84.95531	1.2
84.96032	17.1
85.02888	3.4
88.99135	1.8
97.02856	2.6
97.96799	11.9
98.21545	1.0
98.97578	43.6
100.99122	1.7
101.00851	1.3
102.97031	2.2
105.12379	1.0
110.97560	13.5
112.99161	5.8
115.97833	5.4
116.98615	19.7
119.01894	3.7
121.04615	1.0
123.20185	1.0
124.99140	2.2
127.00605	1.1
128.98625	14.9
129.99411	1.4
131.00165	16.0
133.98766	1.7
134.99644	6.4
136.99086	2.2
139.00656	1.6
140.98581	4.9
141.99388	2.7
143.00174	6.6
144.98087	1.6
145.01706	3.8
145.03391	1.1
146.99638	7.0
149.01205	8.2
152.98573	4.2
155.00151	10.3
157.01723	4.0
158.99649	12.9
160.00409	3.0
161.01227	6.2
161.02899	2.1
162.99084	1.5
163.02818	5.1
165.00735	3.1
167.00121	1.1
170.99677	4.6
173.01218	14.2
174.99135	2.0
175.02800	5.7
177.00746	14.6
178.04913	1.3
179.02365	1.2
181.03777	1.0
181.98904	1.9
182.99677	2.0
187.02820	2.7
189.00671	4.0
189.04367	5.3
191.02274	6.3
193.00226	1.6
195.01768	2.3
199.99918	3.1
201.00766	2.9
203.02182	1.2
205.03847	4.3
207.01797	1.3
207.05386	2.3
214.01500	1.4
215.02281	1.5
217.03787	1.6
219.01762	11.3
229.03778	1.4
233.03465	1.6
237.02809	18.6
247.04716	8.6
255.03967	1.1
260.04459	1.0
265.05945	100.0
271.03714	0.9
283.06989	66.5
284.07529	1.0
288.07495	3.4
301.07941	2.5
306.08533	2.5
307.06979	71.4
321.10333	1.4
325.08066	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	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	81.8
70.14478	26.8
70.14843	9.3
84.96043	25.4
85.02882	6.1
97.96786	22.0
98.20733	6.3
98.97603	36.2
101.00877	11.3
110.97567	15.0
112.16799	5.5
112.99136	21.9
115.02438	8.5
115.97812	8.5
116.98619	19.8
119.01914	25.0
122.38477	4.9
128.98579	10.9
131.00140	29.4
131.01884	15.8
133.03447	14.4
135.03214	5.0
145.01776	7.1
145.03433	17.0
149.01221	17.6
155.00117	24.1
155.01967	7.6
157.01724	16.1
157.03448	15.4
158.99664	9.0
159.05037	9.6
160.00475	7.6
161.02985	10.9
163.02692	7.7
173.01225	28.3
173.02922	20.2
174.99133	6.4
175.02718	7.5
177.00813	23.8
181.98907	5.9
185.02895	6.0
189.04405	10.3
191.02220	12.6
191.04021	8.6
199.99870	6.7
221.05116	10.6
240.04614	5.1
245.05125	6.4
247.02879	8.5
265.05881	98.0
265.08221	7.4
283.07016	95.0
288.07166	5.8
301.08026	5.7
307.07574	100.0
325.08084	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	307.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	69.5
56.96845	3.6
70.98104	4.9
71.02899	1.5
71.43504	3.1
71.43842	1.5
71.95274	1.6
74.97599	2.8
84.95527	1.9
84.96030	26.4
85.02897	2.7
88.99138	2.3
97.96803	19.5
98.96951	1.6
98.97584	28.6
101.00871	3.7
102.97051	2.9
110.97573	11.0
112.99133	9.9
115.97858	9.0
116.52391	1.5
116.98636	11.6
119.01877	5.8
124.69351	1.6
127.00591	1.9
128.98602	15.4
129.99365	3.0
130.99243	1.9
131.00174	27.9
131.01758	2.5
133.03455	6.7
133.98872	1.5
134.99649	3.9
136.99054	2.2
137.02942	1.9
139.00630	4.7
140.98563	4.3
141.99350	5.3
143.00113	4.6
143.01895	2.4
143.97218	1.5
145.01700	5.2
145.03426	2.9
146.99640	4.4
148.00427	2.8
149.01219	15.1
155.00130	16.3
155.01912	2.5
156.98148	1.5
157.01700	10.1
157.03380	2.7
158.99661	16.3
159.05063	2.2
160.00447	3.3
161.01187	5.5
161.02901	4.1
161.98335	2.2
163.02715	3.1
165.00703	2.3
171.03281	3.0
171.04993	1.6
172.00421	1.4
173.01187	23.6
173.02881	4.3
174.01724	1.4
174.99164	7.6
175.02753	7.0
175.04340	2.8
177.00732	23.2
181.98846	2.0
182.99593	2.7
185.01245	2.1
185.98274	1.5
187.02794	2.4
189.00676	2.1
189.04370	8.3
189.05847	1.9
191.02318	11.1
191.03906	2.7
193.00252	12.7
195.01732	3.9
199.99860	4.8
201.00636	4.3
203.99390	1.9
205.03732	3.3
207.01749	2.0
207.05365	4.3
208.99579	1.5
211.01184	1.6
214.01466	2.9
215.02245	5.3
217.00201	3.7
219.01729	2.4
229.03880	3.6
233.03314	4.7
235.01338	6.7
237.02740	1.5
239.05879	1.7
247.00999	2.7
247.04921	9.9
265.05957	100.0
283.07007	87.9
288.07425	3.3
301.08029	4.3
306.08609	3.6
307.06992	58.0
325.08078	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01865	1.2
55.05506	7.8
55.83381	0.2
57.07068	1.2
63.15301	0.2
65.03935	0.5
67.05502	9.7
68.40402	0.2
69.03412	0.3
69.07063	9.0
70.06580	0.2
70.07378	0.2
71.08611	0.3
71.24004	0.3
72.04508	0.6
77.91045	0.2
79.05484	2.8
81.03377	0.2
81.07051	8.5
82.06557	0.3
83.04978	0.4
83.08607	2.4
84.08120	0.2
85.05278	2.6
86.06093	0.9
91.05480	1.2
93.07042	2.0
95.04951	0.5
95.08594	5.5
96.08095	0.3
97.06503	0.6
97.10145	1.2
98.06048	16.7
99.06870	0.2
105.07036	1.3
106.41930	0.2
107.05019	0.2
107.08588	1.4
108.08114	0.3
109.06522	0.3
109.10144	2.2
110.09657	0.7
112.07597	2.0
119.08548	0.8
121.10126	0.6
122.09711	0.2
123.11683	0.4
124.07540	0.3
124.11208	0.3
125.08412	0.3
125.09559	0.2
126.09147	0.8
131.08548	0.5
133.10080	0.5
135.11649	0.6
137.05949	1.2
137.09589	0.3
137.13155	0.2
138.09158	0.5
140.10667	0.6
141.06908	0.2
143.08571	0.4
145.10100	0.4
147.11667	0.4
152.10698	0.3
154.12257	1.0
157.10115	0.4
159.11676	0.3
163.03859	0.4
168.13840	0.7
169.10088	0.2
171.11725	0.2
182.15425	0.4
183.11702	0.7
187.11087	0.3
189.09081	0.4
194.15424	0.4
196.16934	0.6
201.12701	0.6
208.16963	0.7
222.18466	0.6
229.12190	1.0
236.20030	0.5
247.13246	0.6
250.21571	0.3
263.05734	0.9
275.19965	0.6
300.25162	0.2
306.07730	2.1
306.27884	100.0
307.07794	0.3
307.28232	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.88092	0.1
57.07066	0.1
58.02947	0.2
65.03927	0.3
66.04700	0.2
67.05498	0.4
69.07063	1.5
70.02498	0.7
77.03918	0.2
79.05487	0.9
81.07050	1.0
83.08624	0.2
83.80247	0.1
84.08114	0.2
86.06071	0.1
91.05475	0.6
93.07041	0.6
94.03659	0.2
94.04183	2.3
95.08575	0.4
97.06528	0.3
100.07609	0.3
105.07037	0.3
107.04950	0.3
107.08611	0.7
109.06499	0.4
109.10186	0.8
111.08073	0.2
111.11727	0.1
114.09177	0.5
120.17057	0.1
122.03645	7.7
126.09148	0.4
133.10115	0.8
135.11707	1.0
137.05969	100.0
138.06305	1.1
151.11160	0.3
153.12733	1.1
166.75664	0.1
170.15401	2.3
182.15408	2.3
263.05859	0.2
306.07605	0.2
306.20615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0757
Annotation	Oxostephanine
Peak:m/z	Relative Intensity
56.05002	0.3
57.07054	0.3
57.73992	0.1
58.06569	0.4
60.04493	0.2
69.98328	0.7
71.08612	0.1
74.06060	0.3
88.07623	1.9
98.20699	0.2
100.63536	0.2
104.07075	0.2
120.28085	0.1
132.10165	0.4
162.11221	0.2
181.05188	0.3
205.05200	0.2
206.05983	0.6
207.06754	0.7
209.04593	0.3
214.21634	2.2
234.05437	1.2
235.06198	2.2
258.24228	0.7
262.04953	0.3
263.05753	50.1
264.06137	1.4
278.08112	0.5
280.05695	0.2
291.05234	8.9
292.05432	0.2
306.07571	100.0
306.26349	6.5
307.04620	0.2
307.07907	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	306.0761
Annotation	Oxostephanine
Peak:m/z	Relative Intensity
56.31007	0.3
64.90767	0.4
69.07026	0.4
71.64410	0.5
75.98720	0.3
79.05447	0.6
81.07020	1.1
85.02859	0.8
92.20166	0.4
93.06992	0.5
95.08577	0.5
112.76219	0.4
131.08487	0.4
176.14386	0.8
178.06526	0.5
179.07240	1.2
183.06760	0.7
186.88644	0.3
193.05275	1.7
194.06068	0.4
207.06781	2.8
218.05981	1.5
219.06708	0.5
222.05467	1.4
223.06273	0.9
234.05478	0.5
235.06271	29.9
236.06543	0.6
238.04881	0.5
251.05869	0.8
260.97253	0.3
263.05814	0.6
290.04495	1.8
291.05246	100.0
292.05457	2.2
304.19958	0.4
306.07599	98.8
307.07703	2.4
326.98969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1698
Annotation	Convolamine
Peak:m/z	Relative Intensity
53.03935	0.8
55.01871	0.8
55.05494	2.2
59.14820	0.4
60.04525	5.4
61.09781	0.4
65.03936	0.7
65.49543	0.4
66.64123	0.4
67.05515	2.7
69.03406	1.5
69.07043	1.3
69.97347	2.6
70.06592	6.9
71.04977	0.6
79.05490	4.3
81.07051	4.8
82.06580	0.9
83.04976	0.9
85.88771	0.5
91.04980	0.7
91.05482	8.9
93.07040	7.5
95.04976	3.7
95.08600	3.0
96.08134	0.9
97.06515	1.7
98.06034	1.0
103.05469	1.3
105.07027	13.8
107.04941	1.0
107.08572	4.8
108.08109	1.0
109.02873	1.3
109.06506	2.0
109.10072	0.7
115.05458	1.2
117.07021	6.3
119.04968	0.8
119.08576	9.0
121.06518	2.8
121.10146	1.3
123.04436	1.0
123.08050	1.4
128.06177	2.5
129.07004	2.7
130.07738	0.8
131.04904	0.6
131.08574	11.6
133.06458	1.3
133.10164	3.7
135.04373	1.1
135.08046	1.6
137.05956	0.8
141.06981	1.4
142.07748	2.0
143.08546	4.6
144.09341	0.8
145.06480	3.2
145.09053	0.7
145.10133	5.5
147.08044	2.4
147.11693	3.3
148.11203	0.9
149.05949	1.0
149.09610	1.3
151.07520	0.9
153.06992	1.4
155.08504	2.6
157.10120	4.3
158.07182	0.9
158.10876	1.3
159.08054	5.3
159.11687	3.8
160.08839	0.5
161.05983	0.9
161.09641	3.1
163.03867	0.5
163.07513	1.5
164.11613	0.5
168.09375	4.5
169.10167	1.0
171.08037	0.9
173.05922	2.9
173.09616	2.0
173.13274	5.4
175.07614	0.7
175.11169	1.5
177.09125	1.0
177.12834	0.6
181.10129	0.6
183.11700	7.3
185.13286	0.8
187.07532	1.1
187.11208	2.6
189.09106	2.1
193.10167	0.8
201.09142	0.4
201.12738	9.2
203.10725	0.5
211.11182	1.8
219.07953	0.5
219.13776	0.6
228.13937	1.0
229.12231	6.0
235.06206	2.2
246.14886	2.5
247.13274	4.8
247.48068	0.5
261.57492	0.4
264.15933	4.0
291.05276	9.3
306.07626	10.0
306.16980	100.0
307.09766	0.8
307.17447	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03948	2.6
55.01863	5.4
55.05505	20.5
57.03434	4.8
57.07069	5.6
59.04995	25.1
59.76983	1.8
65.03938	1.9
67.05164	3.2
67.05502	39.4
69.03419	8.0
69.07066	26.9
70.06586	6.5
70.52924	6.1
71.04977	7.5
78.59578	1.9
79.05494	33.1
81.07054	73.9
83.04987	4.4
83.08601	13.4
85.06538	9.5
87.04459	14.0
91.05472	24.5
93.07041	85.7
94.07375	1.8
95.04950	8.3
95.08602	62.7
96.08932	2.4
97.06533	16.8
97.10159	6.8
99.08069	4.2
105.07033	42.7
107.08590	76.1
109.06521	8.1
109.09437	3.5
109.10156	40.1
111.08075	7.2
113.09653	2.8
115.07564	8.7
117.06985	5.0
119.08572	36.3
121.09307	3.3
121.10136	48.7
123.08084	5.0
123.11723	21.3
125.09616	9.0
131.08553	13.5
133.10130	100.0
134.10446	2.8
135.08043	2.2
135.11699	47.3
137.09587	4.9
137.13246	7.0
139.11168	6.1
143.08546	7.4
143.10667	6.0
145.10104	18.9
146.11713	3.4
147.11665	32.7
149.09616	2.7
149.13245	58.9
151.11116	4.8
153.12689	2.8
157.10141	9.2
159.11696	18.6
161.13208	11.2
162.05458	2.1
163.11136	3.1
163.14857	7.9
165.12694	4.8
169.12259	3.6
171.11681	10.9
173.13266	8.5
175.14835	6.6
177.16374	2.6
181.12248	2.6
185.13258	6.9
185.81613	2.4
187.14882	11.0
189.16385	4.1
191.22878	1.7
199.14819	4.9
200.20062	5.6
201.16365	8.1
203.17960	11.8
205.15941	2.5
213.16414	6.0
217.19481	2.7
227.17946	9.6
229.19545	5.5
244.22789	15.2
245.19023	5.4
263.05743	6.8
263.20071	8.4
263.23688	2.8
269.22623	7.9
286.81622	2.3
287.23694	8.2
291.05215	5.8
305.24741	61.7
306.07587	29.0
306.26437	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
52.19621	0.9
53.03941	3.3
55.01877	8.5
55.05508	12.3
57.03453	5.3
62.48873	0.9
65.03935	4.9
67.05504	55.9
69.03423	3.3
69.07064	9.5
71.04996	1.8
71.64223	1.1
71.64628	1.7
72.04495	1.1
79.05489	22.5
81.03429	2.7
81.07057	24.1
81.07524	1.9
83.04972	10.0
83.08619	3.5
85.06554	2.8
91.04898	1.2
91.05478	22.2
93.07047	21.3
95.04968	100.0
95.08600	12.4
96.05290	1.2
97.06534	6.0
97.10168	2.1
103.05519	1.5
105.07034	17.5
106.05992	1.0
107.04948	14.1
107.08598	11.7
109.05788	1.6
109.06513	18.7
109.10178	3.6
111.08095	2.6
115.05430	1.7
116.06240	1.3
117.07015	6.5
119.08572	8.2
121.06496	8.3
121.10127	5.4
123.08088	3.7
125.09644	2.1
128.06242	2.1
129.06989	5.0
131.08575	12.2
133.06532	4.6
133.10133	5.9
133.73409	1.0
135.08061	21.7
135.11699	5.8
137.06000	4.1
137.09619	2.0
141.06931	1.0
142.07811	1.1
143.08527	5.5
145.06487	1.0
145.10130	10.1
147.08020	5.6
147.11679	4.1
149.09587	5.0
149.13260	3.7
151.11163	1.0
155.08429	0.9
157.10103	4.5
159.11658	5.2
161.09644	5.5
163.11182	4.0
169.10159	1.7
171.11671	2.8
172.29410	1.1
175.11174	2.9
177.12729	4.6
185.13237	1.7
187.11227	3.0
199.11183	1.0
199.14975	1.3
205.12238	1.9
217.15977	2.6
227.17935	1.4
237.16406	1.4
245.18988	2.4
255.17535	2.2
263.05768	2.6
273.18488	26.4
274.18942	1.6
305.21124	16.5
306.07574	6.9
306.28094	1.0
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
53.03936	2.7
55.01655	0.8
55.01871	8.8
55.05508	11.5
57.03430	7.8
65.03932	6.0
67.05500	57.6
69.03413	2.4
69.07066	6.9
69.61539	6.3
71.04974	1.8
79.05486	25.4
81.03401	2.0
81.07055	19.2
83.04971	2.2
83.08611	2.7
85.06531	3.1
91.05475	28.2
93.07043	24.4
95.04962	100.0
95.08595	11.1
97.06516	8.0
97.10157	1.7
98.20741	1.5
103.05466	1.3
105.04485	0.9
105.07021	17.8
107.04952	12.9
107.08587	15.5
109.06505	27.3
109.07243	1.4
109.10146	3.1
111.08051	2.8
115.05432	2.8
116.06188	1.6
117.07004	7.3
119.08562	10.1
121.06485	8.1
121.10101	4.0
123.08074	2.8
125.09625	1.7
129.06995	5.4
131.08556	16.2
133.06459	4.3
133.10143	5.7
135.08041	34.8
135.11647	4.5
137.06012	4.5
137.09616	1.2
141.06888	1.1
142.07799	1.1
143.08556	9.4
145.06441	1.1
145.10115	9.6
147.08012	6.3
147.11673	2.8
149.09583	4.8
149.13234	3.4
155.08458	1.7
157.10144	4.8
159.08038	2.2
159.11668	4.9
161.09618	5.4
163.07516	0.9
163.11160	3.7
166.07787	0.9
169.10091	1.0
171.11673	2.5
173.13275	1.2
175.11194	2.2
177.12695	4.6
183.11737	1.6
185.13237	1.8
187.11192	2.8
189.12703	1.6
195.11708	1.6
199.14841	1.3
201.12764	1.6
205.12204	2.1
217.15860	6.0
227.17987	2.1
233.15300	0.9
237.16336	2.6
245.19035	3.1
255.17332	2.4
263.05716	1.9
273.18457	29.5
305.21066	13.7
306.07547	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03928	1.4
55.01865	2.3
55.05260	0.7
55.05506	10.4
57.03423	0.6
59.04970	0.7
60.14002	0.4
65.03921	0.6
67.05168	0.5
67.05499	7.0
69.03414	1.3
69.07065	3.5
69.94331	0.6
69.94743	1.7
71.04982	0.8
77.03879	0.4
78.04749	0.4
78.13249	0.3
79.05485	10.9
81.03374	1.2
81.07045	9.9
83.04969	1.2
83.08614	4.0
85.06521	0.6
91.04946	0.7
91.05471	8.6
93.07035	8.7
95.04956	3.2
95.08145	0.3
95.08606	4.5
97.06491	0.7
97.10155	5.5
103.05476	0.8
105.03385	0.3
105.06377	0.5
105.07022	8.0
107.04944	4.3
107.08595	5.6
109.06482	0.8
109.10141	1.5
111.08052	0.9
115.05422	0.6
116.06264	0.5
117.07020	5.0
119.04938	1.9
119.07770	0.7
119.08566	9.5
120.05727	0.6
121.06480	2.7
121.10144	2.7
123.08035	1.0
125.09624	3.9
128.06209	0.5
129.06998	2.8
130.07762	1.1
131.08556	5.1
132.05714	0.5
133.06479	3.8
133.10086	1.8
134.07249	0.6
135.08037	2.9
135.11655	1.4
142.74875	0.4
143.08562	2.1
145.06442	0.6
145.10088	4.0
147.08020	5.2
147.11610	0.4
149.09589	1.6
149.13234	0.7
157.10104	1.6
159.08066	0.9
159.11679	1.6
161.09647	1.8
162.10358	0.8
163.11142	1.0
169.10179	0.5
171.11656	0.8
173.09665	0.4
175.11150	1.3
203.12749	1.5
227.17937	0.4
234.20294	0.5
237.14789	0.7
255.17458	1.0
263.05823	0.8
263.16400	0.6
273.18454	5.7
305.21085	100.0
306.07602	2.1
306.21429	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.6
55.01873	17.9
55.05509	30.6
57.03432	3.8
57.07078	4.3
59.05013	4.0
59.30976	2.3
65.03931	4.6
67.05503	60.9
68.97580	2.2
69.03415	8.7
69.07072	14.5
69.11497	2.1
71.04993	3.8
71.64137	4.5
73.06567	5.9
79.05491	84.8
80.31097	1.9
81.03419	32.3
81.07056	100.0
83.04987	28.5
83.08624	9.0
85.06526	8.1
91.05479	63.6
93.07043	71.7
93.07632	4.3
95.04967	36.7
95.08607	31.2
97.06539	4.7
97.10141	3.3
99.08092	2.5
103.05447	4.6
105.07028	62.6
107.04952	64.7
107.08597	63.9
109.06533	9.8
109.10154	16.9
115.05490	4.5
115.07542	2.9
116.06226	3.6
117.07014	49.7
119.08585	29.3
120.90099	2.2
121.06493	26.5
121.10143	52.1
123.08080	9.0
123.11672	2.4
125.09647	8.5
129.07010	14.0
131.04909	12.3
131.08562	81.4
133.06491	90.7
133.10120	25.5
135.08052	36.3
135.09000	3.4
135.11725	8.3
137.05943	3.3
137.09612	5.5
141.06992	5.3
142.07796	5.3
143.08568	9.6
145.06490	2.8
145.10121	21.3
147.08055	9.2
147.11742	6.5
149.09616	85.8
151.11182	10.0
155.08531	3.4
157.10182	8.0
159.08055	40.0
159.11736	10.2
161.09601	11.5
161.13322	3.1
163.11197	8.4
163.85689	2.4
171.11670	12.4
173.01093	4.3
173.13307	4.0
175.11182	12.1
177.09108	86.2
177.12685	4.3
177.98331	2.5
178.09586	3.6
181.12276	4.3
183.11687	3.2
185.13339	5.0
187.11252	3.0
187.14790	2.4
189.12701	4.8
195.11693	2.6
199.11180	3.7
203.14333	2.5
213.16415	3.6
227.18007	4.0
237.16486	3.2
245.19177	5.9
255.17397	11.9
263.05762	10.2
273.18481	55.4
287.20035	6.3
291.04980	2.7
305.05438	2.8
305.21164	75.9
306.07690	23.5
306.21384	3.4
316.14673	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	305.211
Annotation	Caribenol B
Peak:m/z	Relative Intensity
51.97538	0.6
53.03953	1.5
55.01859	3.5
55.05265	0.9
55.05513	12.9
57.03431	1.3
57.07068	0.6
59.04997	2.2
63.54573	0.5
65.03954	0.6
67.05504	7.7
69.03418	2.3
69.07069	5.3
71.04973	0.6
73.06557	0.7
79.05064	0.9
79.05493	12.2
81.03409	0.9
81.07061	14.8
83.04963	1.4
83.08615	5.3
85.06555	1.3
91.05479	13.2
93.07040	9.3
95.04971	6.3
95.08614	5.1
97.06516	1.0
97.10174	7.2
103.05443	0.7
105.07028	11.3
107.04955	5.2
107.08582	6.8
109.06509	2.3
109.10148	1.7
111.08086	1.1
115.05447	1.2
117.07027	7.1
119.04933	2.2
119.08575	13.3
120.05714	0.7
121.06525	3.9
121.10146	3.5
123.08070	2.1
125.09641	6.5
128.06241	0.8
129.06990	3.2
130.07805	1.4
131.08559	6.8
132.05721	1.2
133.06497	4.6
133.10188	2.6
134.07268	0.9
135.08067	3.7
135.11673	1.0
137.05980	0.9
142.07808	0.6
143.08606	3.5
145.10130	7.0
147.08046	6.9
147.11725	1.3
149.09630	2.9
150.10364	0.9
153.09137	1.0
155.08504	0.7
157.10103	3.0
159.08064	1.0
159.11707	2.3
161.09639	2.7
162.10400	1.5
163.11218	1.9
167.10693	0.7
169.10117	1.2
171.11671	1.4
173.09677	0.8
175.11172	1.9
183.11737	0.8
185.13301	1.1
189.12776	0.7
195.11691	0.6
197.13490	0.6
199.11238	0.6
201.12749	0.9
203.12764	3.5
213.12685	0.8
229.94176	0.7
255.17476	2.2
263.05865	1.4
263.16461	0.9
273.18503	8.8
287.20129	1.9
305.21109	100.0
306.07458	4.3
306.21426	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	305.1595
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03937	1.2
55.01864	2.5
55.05502	2.1
57.03437	4.0
57.07075	1.1
61.02895	1.0
67.05495	5.9
68.25275	1.1
69.03414	4.1
69.07059	2.5
70.06576	1.5
70.27979	4.6
71.04988	7.1
72.08138	1.7
79.05487	2.8
81.03407	3.1
81.07056	6.4
81.21888	0.8
83.04965	1.3
83.08608	2.0
84.04536	1.1
84.08119	2.9
85.02901	6.3
85.06538	3.2
91.05459	3.2
93.07039	1.7
94.06569	6.3
95.04968	7.7
95.08634	2.1
96.08154	1.4
97.02895	8.3
97.06551	1.6
97.10165	1.6
98.21461	1.5
100.35135	1.0
105.07033	1.4
106.06616	1.6
107.08594	9.1
108.08116	18.5
109.06532	5.7
110.06041	7.0
110.41968	1.0
111.04450	1.1
118.06527	5.5
119.04993	1.7
119.07342	4.7
120.08097	9.4
120.08895	1.4
121.06513	1.0
121.21561	1.0
122.06043	6.5
123.04417	1.5
123.06815	2.2
123.08051	2.1
124.07586	8.9
125.02363	1.4
125.09639	9.1
127.03945	1.8
127.07544	1.1
132.08055	1.3
133.02954	1.2
136.06235	8.3
136.07579	100.0
137.05972	5.6
137.09627	1.4
138.09142	1.2
139.03870	1.7
140.06992	1.2
142.08626	8.1
143.10667	12.1
145.04945	2.1
146.05983	6.2
146.08447	1.2
147.06767	2.0
148.07605	5.0
149.02315	1.2
151.07567	1.4
152.07057	2.6
153.01819	2.1
154.08618	2.9
155.07115	1.6
156.07874	1.0
160.07616	2.1
164.07063	35.3
164.08412	2.0
167.10651	6.0
168.08092	1.5
169.09785	4.7
172.11287	1.1
173.10817	4.4
174.07980	1.5
178.08685	1.8
181.08943	2.1
183.09140	2.3
184.11385	1.1
189.05370	1.5
195.09157	2.1
196.11292	2.6
197.10776	2.2
198.07875	2.3
198.11552	4.0
201.10234	6.0
211.08638	3.4
212.09473	2.7
213.10338	6.3
213.13910	3.9
215.11913	1.1
224.10715	3.6
225.10274	4.6
226.10979	12.2
227.11760	1.3
239.11852	1.1
240.12521	2.3
241.09752	6.3
241.13361	26.0
254.10539	3.4
259.06186	1.5
259.14417	26.0
269.10001	2.3
269.12848	40.4
277.15546	1.9
287.13895	40.7
305.14975	69.0
306.15329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.0
54.38657	3.8
55.01868	8.5
55.05513	46.9
57.03430	6.5
57.07080	4.1
59.05001	7.0
67.05496	51.9
67.90230	3.5
69.03425	10.5
69.07064	34.5
69.41837	9.2
69.42242	30.0
71.04988	5.6
77.93989	3.4
79.05489	72.8
81.07052	85.3
83.04971	7.2
83.08605	16.0
85.06535	13.1
88.07633	3.7
89.45274	3.2
90.73477	3.5
91.04953	7.5
91.05479	100.0
93.07037	83.0
95.04962	21.3
95.08599	42.2
97.06516	14.6
97.10159	11.9
99.04398	4.2
103.05443	5.0
105.04516	3.7
105.06353	7.4
105.07024	77.3
107.04954	13.0
107.08587	46.0
109.06509	16.0
109.10143	17.5
111.08087	3.9
115.05460	9.4
117.07030	48.0
119.08562	40.1
121.06509	17.0
121.10140	34.2
123.08076	12.2
125.09617	19.6
127.03881	3.6
128.06224	17.3
129.07025	22.8
130.07756	10.6
131.08566	95.8
133.06442	6.9
133.10132	29.3
135.08047	22.3
135.11707	17.3
137.05977	46.8
137.09627	9.3
139.11150	9.8
141.06963	8.8
143.08559	64.0
145.10120	81.5
147.08070	12.2
147.11665	11.6
149.09593	11.5
149.13284	6.5
155.08617	4.6
156.80400	4.1
157.10158	25.8
159.08090	4.0
159.11694	18.4
161.09634	14.6
161.13210	6.7
162.04973	4.2
163.11160	5.9
165.12712	3.6
169.10129	12.1
171.11667	22.0
175.11188	6.4
181.10188	6.2
181.12224	4.4
183.11684	13.4
185.13232	7.5
189.12663	4.6
194.10970	3.5
195.11717	17.4
199.11180	4.5
207.11790	3.5
213.12814	5.6
213.16246	4.1
227.17993	6.0
230.97173	4.0
231.17407	5.2
237.16362	14.2
245.19052	8.3
255.17528	12.3
263.05753	34.0
273.18457	33.6
287.19968	10.8
291.05240	4.8
299.44873	3.5
305.21292	22.3
305.26624	8.1
305.31552	19.6
306.07599	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1496
Annotation	NSC 177499
Peak:m/z	Relative Intensity
53.03930	0.9
55.01896	0.9
59.14458	0.8
67.05497	4.6
69.03413	1.3
69.07050	1.4
70.41222	3.2
71.05004	1.5
72.08166	0.9
79.05494	2.4
81.03419	1.1
81.07053	2.9
82.06564	0.9
84.08135	0.9
85.02917	0.9
85.06536	1.2
91.05470	2.4
93.05789	1.3
93.07035	1.3
94.06563	5.9
95.04992	1.9
95.08592	1.0
96.08112	0.9
97.02882	1.9
107.08623	1.1
108.08115	16.7
108.08855	0.9
109.06519	2.4
110.06035	5.7
113.07125	0.9
115.07599	0.8
118.06543	6.5
119.07327	5.6
120.08109	8.1
122.06026	5.2
123.04416	1.5
123.06786	2.2
124.07588	8.8
125.09626	2.1
132.08055	1.3
133.07637	0.9
134.05977	0.9
136.07573	100.0
137.06000	1.8
138.09123	1.5
142.08629	11.1
143.10602	1.2
145.07637	1.0
146.06001	5.7
146.08427	1.7
147.06789	2.1
148.07555	5.7
151.57320	0.8
152.07047	2.3
153.01837	1.2
154.08638	3.4
160.07559	1.9
161.05934	0.8
161.07147	1.5
164.05678	1.8
164.07069	34.0
170.08380	0.8
170.41873	0.8
173.10709	4.9
174.07841	1.9
181.08873	2.4
183.09100	1.8
184.09866	1.5
185.10704	2.5
196.11241	3.3
197.10725	2.2
198.07829	1.8
198.09737	1.1
198.11432	4.7
199.08571	1.1
201.10210	6.5
211.08650	3.3
211.12277	1.4
212.09424	3.1
213.10266	7.7
213.13876	4.4
215.11874	1.4
223.12268	1.2
224.10661	3.3
225.10211	6.9
226.10986	10.6
231.06462	1.2
239.11884	1.2
240.08984	1.2
240.12544	2.1
241.09749	6.1
241.13348	24.0
254.10526	3.9
256.93158	0.8
259.05875	1.2
259.14444	28.6
269.09958	2.0
269.12848	40.0
270.13135	1.0
277.15561	2.4
287.13907	40.4
288.14001	1.8
305.14948	73.2
306.15259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.97757	0.4
55.05514	1.4
57.03455	0.4
57.07082	0.5
59.04993	0.4
59.90698	0.3
62.23858	0.3
63.07048	0.3
65.03944	0.5
67.05505	2.3
69.03429	1.5
69.07084	1.8
70.06588	0.4
70.76083	0.7
70.76437	0.9
77.03915	0.8
79.05490	2.9
80.05024	0.4
81.03404	0.6
81.07058	6.5
83.04992	0.8
83.08622	0.8
84.08119	0.7
85.06531	1.0
91.05479	5.8
93.05804	0.8
93.07048	6.3
94.06583	0.9
94.11789	0.4
95.04968	3.9
95.08611	3.2
96.04513	0.3
96.08121	0.8
97.06532	1.3
97.10143	0.5
105.04507	0.5
105.07021	3.6
107.04962	0.6
107.08601	2.3
108.08128	2.1
109.06503	0.7
109.10156	1.7
119.08566	1.9
120.08086	0.3
121.06491	0.7
121.10144	2.1
122.06028	3.2
123.11697	0.9
124.07594	10.1
125.09605	0.5
126.05503	1.3
129.07004	0.4
131.08577	0.9
133.10123	2.4
135.08060	1.0
135.11726	1.3
136.07578	100.0
137.07951	1.2
138.09097	0.7
140.07068	1.5
143.08589	0.8
145.10130	1.5
147.11699	1.0
149.13263	1.4
150.05508	0.5
151.03917	0.8
151.11130	0.5
152.07063	17.3
157.06506	0.4
157.10135	0.9
159.06779	0.4
159.08052	0.4
159.11699	1.2
161.13188	0.5
164.07069	72.2
165.07408	1.7
166.08643	0.5
170.08142	3.3
171.11758	0.6
173.13310	0.4
182.08133	15.2
187.14873	0.6
200.10834	0.5
201.16481	0.4
214.12180	0.5
230.07904	0.4
245.13077	2.1
257.08099	1.1
269.12701	0.6
287.13882	6.4
287.16757	0.7
287.23480	0.7
296.63843	0.5
305.05447	2.5
305.11429	0.5
305.14792	2.2
305.17911	0.5
305.21829	0.4
305.24860	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
54.34341	1.2
55.01863	1.9
55.05496	2.7
55.48415	1.3
57.03419	4.5
58.06570	2.5
60.04255	1.2
60.04528	10.5
61.02909	4.7
67.69670	1.0
68.77309	1.0
68.99780	1.9
69.03088	1.4
69.03429	17.9
69.07068	49.3
70.06582	5.4
71.01317	1.3
71.04961	1.3
71.08633	22.5
71.26153	3.2
72.08154	3.4
73.02901	3.0
81.03419	11.0
83.08585	1.3
84.04500	5.3
84.08146	4.0
85.02906	69.6
86.02426	5.5
86.06063	2.1
86.09704	9.7
91.03919	1.8
94.06590	1.3
95.04953	1.5
95.08624	1.4
96.04524	2.0
96.08113	3.0
97.02893	44.8
97.06510	6.4
99.04456	1.8
100.07599	1.3
103.03941	4.7
105.06974	2.4
109.02890	12.3
110.02376	1.5
111.00794	1.4
114.09157	18.9
120.08090	5.0
121.02882	1.4
123.04420	4.6
124.07562	1.5
124.12296	1.2
125.28959	1.3
126.09142	2.1
127.03912	16.2
130.06470	1.9
130.08627	1.2
137.02348	3.9
137.05954	2.2
138.02682	2.4
138.09163	5.3
142.08632	100.0
145.04956	6.7
149.02342	5.0
151.07584	1.6
153.01805	10.0
154.02153	2.6
156.10214	4.1
165.07072	1.5
171.02907	1.4
172.09731	1.4
183.02911	1.2
183.07961	2.0
184.09688	78.8
194.07300	1.6
194.46213	1.2
198.71648	1.2
202.05736	2.3
208.09680	17.1
211.07439	2.0
213.05414	1.3
214.05898	1.3
219.01801	1.3
220.09721	2.5
223.07513	9.2
229.62071	1.2
230.05298	6.5
231.06477	3.4
238.10767	3.4
241.08992	1.1
250.10684	9.2
258.04868	4.0
259.06009	4.7
268.09525	3.0
268.12012	1.6
286.04309	1.9
286.10648	2.5
286.13211	1.4
304.05338	69.9
305.05634	4.5
305.15613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17313	1.9
53.03935	4.3
53.46521	1.7
55.01865	4.7
55.05499	3.5
56.67208	1.8
59.04995	2.4
61.02915	2.6
67.05508	27.0
69.03418	6.6
69.07055	3.7
69.78672	10.5
69.79087	2.9
70.06589	6.2
71.04984	11.7
72.08175	2.3
79.05494	14.4
81.03410	2.7
81.06588	4.2
81.07053	68.9
83.04990	3.9
83.08642	2.5
83.36138	2.3
84.08121	5.6
85.02900	8.9
85.06535	16.6
86.09682	3.0
87.04475	9.7
88.08403	1.8
91.05485	11.8
93.07030	9.5
95.04970	7.5
95.08575	3.4
97.02885	10.5
97.10152	2.6
103.05441	2.3
105.07021	2.8
107.08588	4.0
109.06512	69.9
111.04425	15.4
113.06003	7.9
115.03910	4.1
119.04962	5.9
120.08102	2.5
123.04416	3.3
125.02385	9.4
125.09639	4.7
127.07574	14.4
129.05486	6.1
131.07054	7.8
133.04997	10.2
136.07603	4.7
137.05971	100.0
138.09203	2.1
139.03902	5.8
141.01804	2.6
142.07739	2.2
143.10666	6.4
145.06497	2.3
147.04405	3.2
147.06589	3.2
153.01825	5.2
155.07014	18.5
157.04985	16.7
161.06000	3.6
169.04993	2.2
171.02902	2.9
171.04434	3.1
171.11606	2.2
173.08113	20.7
175.06055	9.4
185.04463	6.0
189.05525	3.2
197.06024	2.4
217.04964	2.3
231.06494	4.0
241.10710	5.4
241.13220	2.4
251.09203	6.3
259.06067	3.4
261.12366	3.5
269.10175	20.7
269.12909	6.3
271.07965	2.4
287.13879	4.9
305.06195	4.4
305.17673	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96325	0.2
56.96565	2.3
59.31527	0.1
61.02891	0.1
68.07161	0.1
70.00011	0.7
71.95257	0.3
74.08539	0.1
75.46839	0.1
77.25793	0.1
81.03419	0.1
98.21369	0.2
98.97583	2.7
101.00867	0.5
102.96889	0.2
116.98618	3.8
117.98920	0.2
119.01925	4.3
119.65889	0.1
120.02021	0.6
120.97926	0.4
121.01674	0.3
122.97787	0.2
123.98624	0.3
134.99658	4.8
137.02939	2.3
137.15305	0.1
138.03136	0.2
138.98926	0.3
139.02682	0.3
140.98853	0.2
142.03488	1.5
143.03596	0.2
144.03290	0.3
146.99609	0.2
153.00769	1.3
158.01248	0.4
158.99860	0.8
160.04504	0.7
171.04988	0.2
177.00948	19.8
178.01076	1.7
179.00688	0.3
179.33319	0.1
181.03409	0.6
182.99809	1.6
183.01167	0.1
195.01926	0.4
195.98235	0.1
196.94246	0.2
199.04506	0.8
200.02545	0.5
201.00899	4.1
201.02791	0.2
202.01018	0.3
214.93712	0.2
214.95552	1.3
215.95642	0.3
217.95004	0.2
218.03766	0.4
219.01999	100.0
220.02106	6.6
221.02316	0.8
223.94376	0.2
224.02396	0.3
226.95543	1.2
227.45667	0.5
227.95387	0.1
229.45947	0.3
229.95782	0.1
230.93323	0.4
232.96713	1.3
233.03568	0.4
233.96599	0.4
235.96074	0.7
236.46198	0.4
237.02997	0.4
238.46350	1.6
238.95570	0.9
239.46289	0.4
239.95689	0.4
240.96703	0.3
242.03592	7.6
243.03728	0.6
244.02042	0.3
246.90948	0.2
249.97151	2.0
250.47200	0.3
250.97284	0.3
256.96646	9.5
257.45032	0.1
257.96701	3.9
258.96423	1.1
261.02972	0.4
261.47949	0.2
261.97174	0.2
262.03152	3.3
262.97559	0.2
263.02841	1.7
265.05127	0.4
265.95480	0.4
268.95660	0.2
272.94424	0.5
274.94318	0.6
274.97635	4.2
275.42963	0.3
275.94247	0.7
275.97769	1.8
276.93707	0.3
276.97406	0.6
277.45926	0.2
277.92957	0.2
278.01169	0.2
278.12354	0.5
278.44208	0.2
279.98288	1.4
280.93698	0.2
280.98593	1.6
281.98010	0.4
285.04739	0.2
286.04581	0.2
288.92050	0.2
289.95258	0.2
290.95624	0.3
291.95844	0.2
292.59882	0.2
292.95123	0.6
293.95200	0.4
297.91721	0.2
297.99289	0.3
298.97647	14.7
299.97620	0.8
304.00000	0.3
304.05515	0.3
304.60571	0.3
309.96112	0.2
310.96152	0.2
313.96628	0.2
314.95673	0.2
316.95636	0.2
321.99210	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01869	9.2
55.05501	4.3
56.96561	32.1
57.03432	3.7
59.50202	2.0
61.02920	3.8
62.46756	1.7
67.05495	3.6
67.73045	2.0
69.03422	9.7
69.07063	3.0
70.06592	11.0
71.04978	3.3
71.64467	4.4
71.95275	2.0
72.08148	5.4
73.02906	2.0
79.05494	4.3
81.03408	5.5
81.07046	2.3
83.04977	4.2
84.04486	3.8
84.08142	10.8
84.96016	4.1
85.02895	16.4
85.06500	2.8
85.12521	1.8
86.09728	4.4
87.04459	3.5
91.03952	2.3
91.05444	2.3
95.04948	3.3
95.08584	5.8
97.02892	12.4
97.06518	8.3
98.97584	31.8
102.05545	2.2
105.07052	3.1
107.04943	3.6
107.08575	3.0
109.02869	5.1
110.07182	11.5
110.97545	6.7
111.04423	9.4
112.08745	2.3
113.06060	2.1
116.07127	2.6
116.98604	26.8
119.01910	5.5
121.10058	2.4
123.04429	3.6
123.08073	2.1
125.02340	11.6
125.05980	3.8
127.03916	5.1
128.98586	12.0
129.10233	3.2
131.00119	2.8
131.01909	2.9
133.01666	2.4
133.04968	2.1
134.99641	16.9
137.05975	2.9
139.03871	3.8
140.07138	2.7
141.05215	100.0
143.00166	1.9
143.11833	1.9
146.99654	15.5
147.03316	2.2
153.01823	5.5
153.05437	11.2
158.99637	9.1
159.03226	8.9
161.01208	7.7
161.02782	3.0
161.04662	4.4
167.06984	2.1
169.04971	7.4
170.99667	2.9
171.06468	3.6
173.02795	2.2
175.02742	3.4
175.04475	2.0
177.00742	11.4
177.04213	11.0
185.04243	28.3
189.00761	3.8
201.00652	3.6
201.04388	5.5
203.05325	5.7
207.01685	4.3
219.01698	16.1
219.05258	2.5
237.02795	29.8
239.03712	2.1
243.05309	2.5
245.05038	3.5
255.03795	2.7
285.09610	3.2
303.07474	16.8
303.10492	66.4
303.17438	2.2
303.23074	3.6
321.08401	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	303.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	41.0
55.05508	6.6
56.96557	2.0
59.05005	1.3
60.04509	1.0
62.24126	1.0
67.05506	1.3
68.99788	6.5
69.03410	3.6
69.07044	1.4
70.06565	2.3
71.04978	3.6
71.55444	2.3
72.08134	2.9
79.05482	8.3
81.03400	2.5
81.07034	3.9
82.09327	0.9
82.13384	1.0
82.99714	1.1
83.04971	12.2
83.08598	1.8
84.08115	1.3
85.02885	1.9
85.06504	1.0
85.65054	1.0
86.09682	2.9
87.04463	4.6
87.10050	1.6
95.04927	1.7
95.08579	4.4
97.02895	5.7
97.06525	21.3
99.04436	1.5
101.06002	1.3
105.06995	1.5
107.04949	5.7
107.08592	1.5
109.06464	2.2
109.10130	1.4
111.04433	39.8
121.06490	1.5
121.10144	2.0
123.11700	1.5
125.02341	4.2
125.05985	28.3
127.03963	1.3
133.04944	2.3
133.10110	1.1
135.04430	6.1
137.05963	1.2
139.03897	3.3
141.05437	4.5
143.07014	9.1
153.01833	3.3
153.05452	100.0
169.04955	45.5
171.06516	27.1
187.06013	3.4
196.09846	1.4
199.05339	2.4
206.08369	3.6
211.12326	2.0
221.10797	1.5
238.11125	1.2
239.09085	1.9
239.11642	2.6
257.10138	3.9
267.08557	3.6
267.11270	6.7
285.09647	12.2
285.12363	7.0
295.86539	1.1
303.05051	7.7
303.14096	21.5
303.23022	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
54.10171	0.1
54.93581	0.1
55.01870	0.3
65.03934	0.5
67.01858	0.4
67.05480	0.2
68.99789	2.1
69.03419	0.3
70.33126	0.3
70.33517	0.3
81.03405	0.5
93.03394	0.5
95.04971	0.6
105.07026	0.2
107.04952	0.2
109.02895	0.9
111.00804	1.5
117.06986	0.2
118.93154	0.1
121.02864	1.9
123.04426	0.6
127.03910	0.5
128.06229	0.1
131.04887	0.2
133.02832	0.2
135.04395	0.6
137.02347	6.7
137.03394	0.4
138.02644	0.2
143.04926	0.2
145.02817	0.3
145.06474	0.7
149.02357	1.0
153.01823	8.4
154.02104	0.2
155.04915	1.0
155.06049	0.2
157.06519	0.2
159.04436	0.2
161.05975	0.5
163.03902	1.1
165.01839	3.3
165.03250	0.2
166.02548	0.4
173.05994	1.3
177.05525	0.3
179.03345	0.3
183.02869	1.4
183.04442	0.8
187.03905	0.7
191.03381	0.3
195.02936	0.4
200.04637	0.2
201.05469	4.0
203.03214	0.1
205.05011	0.4
207.02899	0.2
211.03886	0.4
213.05551	0.3
215.03354	0.2
219.06517	0.3
224.11101	0.1
228.04147	0.5
229.04965	7.9
230.05405	0.3
232.03702	0.2
239.03423	0.5
245.04546	0.2
246.05383	0.2
247.05988	1.1
257.04440	4.3
258.04889	0.2
274.04694	1.3
275.05515	0.2
285.03949	2.1
286.04489	0.2
303.04987	100.0
304.05338	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	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01862	6.9
55.05500	7.4
56.96304	3.7
56.96566	56.1
57.03426	7.3
61.02924	6.1
67.05497	3.5
67.41395	2.1
68.99762	2.4
69.03432	17.4
69.07039	5.4
69.97069	12.8
70.06596	14.6
71.04971	4.5
72.08134	6.4
73.02909	2.6
79.05484	4.4
81.03391	10.7
81.07048	4.4
83.04966	8.0
83.06090	3.6
84.04494	3.8
84.08145	12.8
84.96023	4.1
85.02910	32.3
86.09695	7.0
87.04456	4.6
91.05448	3.7
93.04544	2.7
93.07035	4.5
93.67688	2.7
95.08617	5.0
97.02899	18.4
97.06514	8.1
98.06036	2.5
98.97583	100.0
99.04424	2.9
100.99111	2.8
107.05003	3.8
107.08624	3.2
109.02870	3.8
110.07164	25.1
110.97574	5.1
111.04434	9.5
116.98621	77.0
119.01890	6.9
119.08606	2.6
121.02850	2.1
121.06542	2.1
123.04370	3.5
123.08107	3.2
125.02351	12.0
125.05991	8.2
127.03897	8.8
128.98584	14.7
129.10216	4.8
131.00168	5.3
133.06454	2.4
134.99667	48.6
137.02916	3.3
137.05974	4.4
139.03854	7.6
140.00230	3.3
141.04094	4.0
141.05223	62.8
143.00157	5.7
145.01704	3.8
145.05074	2.6
146.99651	14.1
147.01495	2.7
147.03319	2.8
149.01227	7.1
153.00711	6.0
153.01834	4.4
153.05444	20.5
155.04602	3.8
156.07735	3.4
158.01253	5.6
158.99643	34.7
159.03319	10.5
161.01234	13.3
163.02664	2.8
164.05147	4.9
165.00713	5.5
169.04987	7.7
170.99648	5.6
171.06480	7.0
173.02943	3.3
175.02693	4.5
175.11981	2.9
177.00716	58.7
177.04291	9.5
177.05728	3.1
185.04282	14.6
189.00664	4.2
189.04262	4.2
195.01802	7.9
200.02312	4.3
201.00653	6.2
201.04237	5.9
203.05363	4.2
207.01802	5.5
207.05347	2.5
215.02292	3.0
219.01759	32.2
226.52478	2.6
233.03296	3.0
237.02823	37.4
255.03737	4.5
260.04678	3.1
261.02817	4.2
280.04865	2.7
285.09677	4.4
291.07571	4.0
297.04291	2.4
303.04782	5.2
303.07111	13.6
303.10666	66.1
303.16830	4.0
303.23203	6.5
305.36972	2.4
309.08432	8.1
321.08578	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09271	0.2
55.01851	0.2
56.38583	0.2
58.64666	0.2
65.03925	0.6
66.13041	0.2
67.01861	0.3
68.99782	2.6
69.03397	0.2
69.99480	1.3
73.62955	0.2
81.03407	0.8
93.03394	0.8
95.04961	1.0
107.04937	0.3
108.26444	0.2
109.02850	1.6
111.00790	2.4
111.04427	0.3
115.05438	0.3
117.06999	0.6
120.24666	0.2
121.02853	2.3
123.04420	0.6
127.03907	0.5
129.28226	0.2
131.04922	0.7
133.06419	0.2
135.04411	0.7
137.02338	8.6
137.03378	0.5
145.02808	0.3
145.06459	1.0
148.69423	0.2
149.02330	0.9
153.01819	12.2
154.02055	0.3
155.04845	1.2
157.06528	0.3
159.04375	0.4
161.05994	1.0
163.03880	1.9
165.01817	4.5
166.02606	0.6
173.05971	1.9
177.01874	0.3
177.05428	0.4
179.03395	0.7
183.02870	1.9
183.04407	1.2
187.03856	1.2
191.03447	0.6
195.02861	0.7
201.05463	5.3
205.04964	0.3
213.05518	0.3
215.03427	0.3
219.02853	0.4
219.06557	0.3
228.04166	0.8
229.04948	9.9
230.05292	0.3
232.03445	0.3
239.03442	0.3
246.05367	0.2
247.06133	1.2
257.04440	5.2
274.04706	1.4
275.05392	0.5
285.03943	2.2
303.04974	100.0
304.05328	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
65.03934	0.4
67.01856	0.3
67.05523	0.2
68.99787	1.9
69.85792	1.3
78.30684	0.2
79.68750	0.2
81.03400	0.9
84.90398	0.2
93.03394	0.6
95.04971	0.7
107.04897	0.2
109.02867	0.9
111.00803	1.9
115.05466	0.2
117.07004	0.4
121.02861	2.1
123.04437	0.6
127.03889	0.3
131.04953	0.4
135.04404	0.5
137.02342	7.5
137.03424	0.4
145.06474	0.8
149.02344	0.5
153.01828	9.3
155.04913	0.7
159.04330	0.3
161.05981	0.9
163.03879	1.4
165.01848	3.3
166.02583	0.4
167.03329	0.3
173.05928	1.3
179.03328	0.3
183.02887	1.9
183.04451	0.9
185.05984	0.3
187.03911	0.8
187.30746	0.2
191.03445	0.4
191.07097	0.2
195.02921	0.4
201.05461	4.0
205.04990	0.4
211.03926	0.5
215.03496	0.2
219.06555	0.5
227.03360	0.2
228.04156	0.4
229.04958	8.9
230.05423	0.2
247.06050	1.4
257.04419	5.3
274.04623	1.5
275.05493	0.4
285.03928	2.4
303.04984	100.0
304.05295	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
64.37225	0.3
65.03925	0.4
67.01846	0.3
67.05484	0.4
68.99789	3.0
70.05183	1.2
81.03406	0.7
93.03409	0.7
95.04961	1.2
105.07017	0.3
107.04967	0.3
109.02865	1.1
111.00797	1.7
115.05424	0.4
117.07030	0.4
119.08398	0.2
121.02864	2.7
123.04438	0.7
127.03875	0.4
135.04398	0.9
137.02338	9.0
137.03377	0.7
145.06468	0.7
149.02333	0.8
153.01822	10.7
155.04930	1.4
159.04488	0.3
161.05972	0.6
163.03899	1.6
165.01843	4.2
166.02596	0.7
171.04459	0.2
173.06062	1.6
177.05461	0.4
179.03369	0.4
183.02879	1.6
183.04414	1.1
187.03949	0.8
191.03349	0.3
195.02931	0.5
201.05473	5.4
205.04942	0.4
211.03906	0.7
214.05026	0.4
219.03099	0.2
219.06569	0.5
222.11259	0.3
228.04205	0.6
229.04956	9.8
239.03371	0.7
247.06015	1.0
247.16476	0.3
257.04404	4.9
257.91000	0.3
274.04807	1.1
275.05322	0.4
285.03922	2.4
289.98380	0.3
303.04987	100.0
304.05353	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.98827	0.1
52.02864	0.1
53.03931	0.2
55.01853	0.4
58.87302	0.1
65.03928	0.6
67.01855	0.4
67.05478	0.3
68.99432	0.1
68.99783	2.5
69.03404	0.2
69.07014	0.1
70.44185	0.4
71.01345	0.1
79.05480	0.1
81.03408	0.7
81.07029	0.2
83.67152	0.1
85.75172	0.1
91.05471	0.2
93.03405	0.8
93.07028	0.2
93.26824	0.1
95.04953	1.0
95.08569	0.1
103.05434	0.2
105.03369	0.4
105.07017	0.3
107.04942	0.1
109.02863	1.2
110.03674	0.2
111.00787	2.3
111.04446	0.2
115.05415	0.2
117.06995	0.3
119.08537	0.1
121.02853	2.3
121.06503	0.1
123.04429	0.9
127.03890	0.5
128.06161	0.1
128.19678	0.1
129.06993	0.2
131.04892	0.6
133.02806	0.2
133.06470	0.2
135.04391	0.6
137.02328	8.5
137.03365	0.5
138.02664	0.2
143.04857	0.2
145.02832	0.2
145.06458	0.9
147.04359	0.1
149.02353	0.9
151.03883	0.2
153.01814	11.5
154.02217	0.2
155.04893	1.0
155.06085	0.2
157.06496	0.3
159.04382	0.3
159.11664	0.1
161.05943	0.7
163.03877	1.6
165.01831	4.3
165.06889	0.1
166.02679	0.6
173.02281	0.1
173.05972	1.9
177.01846	0.2
177.05447	0.4
179.03380	0.7
183.02864	1.8
183.04413	1.0
184.04906	0.1
185.05948	0.2
187.03891	1.0
189.05344	0.1
190.79079	0.1
191.03378	0.5
191.06998	0.2
194.02031	0.2
195.02831	0.5
199.03810	0.1
201.05452	4.8
203.03305	0.1
205.01180	0.1
205.04916	0.7
207.02870	0.1
211.03880	0.5
213.05487	0.3
215.03432	0.3
217.04965	0.2
219.02913	0.4
219.06525	0.4
228.04199	0.8
229.04936	10.5
230.05260	0.4
232.03564	0.2
233.04546	0.1
239.03401	0.4
245.04587	0.2
246.05354	0.2
247.06004	1.5
257.04422	5.3
258.04889	0.3
274.04733	1.5
275.05374	0.4
285.03918	2.4
286.04486	0.2
303.04956	100.0
304.05292	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	1.7
65.59337	0.5
69.64674	1.7
69.65112	1.9
98.97594	4.1
101.00873	0.9
116.98615	4.5
119.01925	6.9
119.08607	0.5
120.02029	0.6
133.10100	0.5
134.99670	3.3
137.02931	1.9
140.57260	0.5
153.00713	0.6
158.99892	0.9
177.00946	15.3
178.01083	2.9
179.00745	1.7
182.99831	0.5
201.00949	0.8
217.04083	2.0
218.03748	1.4
219.02011	23.8
220.02089	4.7
221.01767	6.1
222.01944	1.4
225.00726	2.5
242.03603	0.8
243.01933	6.5
243.03853	0.5
244.01958	1.2
258.99948	0.8
261.03058	100.0
262.03180	24.8
263.02988	3.0
277.00992	1.0
278.97162	1.2
279.00726	3.1
279.03568	0.6
280.00873	0.9
284.04669	4.7
284.99783	1.4
285.04675	2.1
286.53259	0.5
298.44440	0.6
301.01108	1.1
303.00803	3.3
303.05536	7.1
320.98004	1.0
321.04224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03922	0.2
53.92102	0.2
55.01851	0.3
55.61613	0.2
62.37790	0.2
64.52428	0.2
65.03922	0.5
67.01858	0.5
67.05468	0.3
68.99796	2.8
69.03411	0.3
71.01396	0.2
71.50401	0.2
77.03945	0.2
81.03402	0.8
91.05477	0.3
93.03410	0.7
95.04976	1.0
105.03439	0.2
107.04982	0.2
109.02892	1.4
111.00797	2.4
117.06998	0.6
121.02858	2.8
123.04414	0.9
127.03911	0.4
131.04922	0.4
135.04425	0.6
137.02342	9.1
137.03400	0.5
139.03969	0.2
145.06485	0.9
149.02299	0.7
149.03421	0.2
149.05916	0.2
153.01826	13.2
155.04909	1.1
157.06482	0.2
159.04416	0.3
161.05975	0.8
163.03937	1.8
165.01845	4.2
166.02583	0.6
167.03395	0.2
173.05986	1.8
179.03366	0.6
183.02873	1.6
183.04442	1.4
187.03926	1.2
191.03419	0.4
195.02885	0.5
201.05463	5.4
205.04965	0.5
207.02896	0.3
211.03815	0.4
213.05519	0.4
219.02945	0.4
219.06506	0.7
228.04207	0.8
229.04956	11.8
230.05307	0.3
233.04367	0.2
239.03426	0.7
245.04553	0.3
247.05948	1.4
257.04449	6.0
258.04935	0.3
267.02954	0.2
268.08813	0.2
274.04849	1.2
285.03992	2.6
303.04990	100.0
304.05331	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	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	1.1
55.05505	6.1
56.05025	0.7
57.69581	0.4
67.05505	2.6
68.05841	0.5
68.99799	1.2
69.03430	1.6
69.07069	0.8
70.06586	9.9
71.04984	0.9
71.64137	0.7
72.08149	100.0
73.08495	1.3
73.08925	0.4
79.05483	1.3
81.03433	1.1
81.04545	0.7
81.07054	2.0
82.06609	0.5
82.07376	1.3
83.04967	0.7
84.04489	0.9
84.08142	1.7
85.02912	1.5
86.09702	21.9
87.10069	0.5
91.05457	1.4
93.03410	0.7
93.07041	0.8
94.06497	0.4
95.04970	1.9
95.06085	0.4
95.08602	2.9
96.08935	1.6
97.02883	1.3
97.06512	0.5
98.97571	0.5
99.04427	0.8
100.07614	1.0
103.05468	0.7
105.07039	0.7
107.04944	1.2
107.08566	0.5
109.02888	0.9
109.06492	0.6
110.06039	0.6
111.00822	1.1
111.08067	0.4
112.07601	1.1
114.09183	0.5
115.05472	0.8
118.08682	0.5
120.08100	0.7
121.02895	0.9
123.04424	1.1
123.08073	2.7
123.09186	0.5
124.07610	0.7
124.08401	2.9
127.03891	1.0
129.06952	0.5
129.10268	0.8
130.05026	0.6
130.06535	1.7
131.04950	0.6
132.10210	6.4
135.04398	0.7
137.02324	4.0
137.06029	2.2
137.06912	0.4
139.19881	0.5
140.07077	1.2
141.09102	0.7
143.11784	65.3
144.12166	1.1
145.06467	0.5
147.04399	0.9
149.05937	0.5
151.07491	3.0
152.07928	3.9
153.01826	4.5
153.05441	0.5
155.08603	0.5
157.13374	5.3
162.05476	0.5
165.01843	1.9
165.06999	1.6
169.05032	0.5
169.06444	0.8
171.11282	28.0
173.05946	0.9
177.05574	0.5
178.08652	1.0
181.06412	0.9
183.02884	0.8
183.08031	2.0
185.05975	0.6
185.12849	2.2
187.03983	0.6
188.10080	0.8
197.06061	0.5
199.09056	0.7
201.05421	2.3
203.13937	0.9
207.08063	0.6
211.07547	2.2
213.05424	0.5
219.06517	0.5
228.08028	0.5
229.04987	4.6
231.17030	2.4
233.66603	0.5
239.07077	0.8
243.10159	1.6
247.05922	0.8
256.12381	0.5
257.04504	2.8
258.17017	0.8
266.11053	1.0
271.09665	1.6
274.04556	0.6
284.12225	1.5
285.03903	1.6
285.11774	0.8
302.03992	0.8
302.07327	1.0
302.11188	2.0
302.16568	1.0
303.04977	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	1.8
55.01863	5.7
55.05521	3.3
56.05033	3.0
56.56384	1.3
56.96562	100.0
57.03423	7.3
60.04498	1.8
60.05638	5.6
61.02915	7.6
69.03423	16.6
69.07085	1.9
70.06591	12.3
70.75089	5.0
70.98127	3.2
71.04995	4.6
71.95261	2.9
72.08153	7.7
72.96014	2.1
73.02908	6.7
74.97613	3.7
79.05480	3.0
81.03407	7.3
81.04538	37.3
83.04984	3.7
83.06115	1.7
84.04501	4.1
84.08146	11.8
84.96027	6.7
85.02899	23.5
85.04016	2.0
86.06039	3.6
86.09702	11.1
87.04475	3.9
88.99152	3.3
91.03989	1.5
91.05479	3.4
94.06565	2.6
95.06082	2.7
95.08609	2.4
97.02887	14.1
98.06076	1.8
98.20743	2.0
98.97578	36.5
99.04433	3.7
100.05116	3.6
100.99152	2.9
102.05538	1.9
102.96941	2.4
105.06998	1.9
109.02888	4.3
110.06030	2.1
110.07143	11.5
110.97556	3.4
111.04449	1.9
112.99123	2.9
113.04607	5.1
115.03902	2.6
115.07918	1.7
116.00156	1.7
116.07109	2.3
116.98608	33.8
119.00189	2.4
119.01883	9.2
119.04908	4.4
120.01984	2.4
120.97868	2.7
122.06024	21.8
122.07140	26.7
123.72967	1.6
124.07624	4.2
126.07733	1.8
127.03914	6.2
128.04512	1.7
128.98624	9.4
129.10240	5.2
131.00159	4.8
131.01892	6.3
131.05559	1.6
131.99655	3.0
132.23589	1.5
133.03442	5.6
134.06013	14.6
134.99644	23.8
137.02953	4.1
137.05978	3.0
138.98935	2.9
140.03394	5.6
140.07069	22.7
140.08179	98.4
141.04068	35.6
141.06421	4.3
142.07253	13.5
143.00122	4.5
143.01855	3.7
143.05589	1.8
145.01752	1.9
145.03450	3.4
145.04953	2.6
146.99629	13.4
147.03255	4.1
147.04402	4.6
148.02736	2.0
149.01241	6.4
149.02972	2.0
149.04863	8.2
150.00703	4.5
150.54292	1.6
152.02327	1.8
152.05663	19.4
152.07056	25.1
153.00671	2.9
153.04063	6.6
153.05244	2.0
154.06120	4.4
155.01846	1.9
156.07683	1.7
157.01628	1.9
158.01263	2.3
158.99652	6.5
159.05037	1.9
161.01250	10.9
161.02910	6.9
162.99222	1.8
163.02718	2.4
164.07085	6.3
165.00690	5.8
165.04305	2.5
167.05957	5.3
170.05301	3.4
170.06738	33.5
170.99727	2.0
171.05055	2.2
172.02727	1.6
173.01393	3.0
173.02954	6.7
174.99185	13.8
175.02768	7.6
175.04332	1.9
177.00739	8.4
177.04355	2.9
177.05952	2.3
178.00990	1.7
179.11812	5.3
180.03540	5.5
181.01787	2.9
182.03362	3.0
183.01746	3.1
184.00325	3.5
185.01207	2.8
188.02351	4.5
189.00702	4.6
189.04225	3.3
189.06142	2.2
190.95311	4.6
191.03862	1.7
193.00188	31.1
193.03770	3.6
197.01183	8.0
199.00905	2.4
200.02367	2.4
200.04140	5.9
201.00700	6.3
203.03963	4.2
205.03670	2.2
205.05482	4.2
206.03430	4.2
207.01749	14.2
208.01591	2.6
208.96442	3.6
211.01131	3.0
212.04269	2.8
215.02158	8.2
216.02467	5.6
217.05490	6.9
219.01738	9.4
220.02180	3.9
221.05022	6.3
225.02797	5.2
226.02527	2.3
231.01714	2.8
232.05014	2.6
233.03349	5.1
234.03683	4.4
236.57149	2.7
237.02789	6.2
253.07640	10.0
256.16788	1.8
257.05145	2.3
259.06613	2.9
260.95865	2.1
260.99301	2.4
261.02835	3.7
263.00793	5.2
271.08524	11.8
273.08960	13.9
278.96976	8.0
279.00452	4.1
279.03571	3.3
280.08185	2.3
284.04593	1.9
285.08801	3.4
296.97839	7.0
297.06470	23.4
302.02301	2.0
302.13608	79.8
302.16989	9.3
303.05649	3.0
303.09283	3.3
303.13367	3.0
315.07565	3.8
321.06247	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01874	1.8
55.05510	1.5
57.03425	4.5
61.02909	3.3
62.22676	1.1
65.03943	3.1
67.05499	39.4
69.03429	19.2
69.07067	22.8
69.38990	1.1
69.79591	7.9
70.06591	2.4
71.04966	2.2
72.08165	1.3
73.02921	2.2
81.03429	7.0
81.09190	1.0
84.04511	3.6
84.08147	7.2
85.02905	49.7
86.09710	4.7
94.06586	2.4
95.04965	57.3
95.08585	1.5
97.02890	43.7
99.04489	2.0
103.03932	3.7
109.02879	9.8
110.06039	1.7
111.00764	1.3
112.07602	37.3
113.05992	5.1
122.06052	1.6
123.04432	2.1
124.07595	4.7
125.02369	3.1
127.03923	8.0
128.10742	1.5
129.10258	6.7
130.05006	3.8
136.07542	1.7
137.06001	1.6
139.03909	1.4
140.07060	100.0
141.07324	1.7
145.04961	3.3
147.07680	3.4
150.09125	1.2
152.07068	3.6
153.01817	3.0
154.08588	7.9
164.06987	1.2
165.01857	1.3
167.01628	4.0
171.11250	1.2
178.08647	4.6
182.08121	66.0
183.08411	2.2
206.08105	14.0
211.07584	1.5
218.08279	1.2
229.04845	1.9
236.09158	2.4
244.93945	1.2
248.09152	11.3
257.04416	1.3
266.10107	1.2
277.97540	1.1
285.04367	1.4
302.11481	1.3
303.04987	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	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.01871	1.5
55.05511	6.5
57.06824	1.5
57.07073	8.3
60.04510	4.9
67.05505	9.3
69.07047	5.0
70.06596	11.4
70.52606	2.6
70.52991	3.8
71.04993	1.7
71.08633	2.7
79.05496	6.3
80.05819	1.5
81.07062	10.1
83.04963	1.9
83.08614	3.1
85.02892	1.7
85.10109	1.4
88.07626	15.4
91.05480	9.1
93.07042	12.6
95.04954	4.9
95.08611	11.0
97.06510	5.1
97.10184	1.7
102.09184	3.8
105.07052	13.0
106.08666	8.8
107.04940	3.3
107.08577	14.3
109.06509	9.6
109.10152	9.3
115.05437	1.7
117.06999	4.3
119.08590	15.8
121.06538	2.1
121.10139	6.6
123.08025	1.8
123.11673	2.7
125.09616	2.0
128.06187	1.8
129.07008	2.2
131.08572	14.5
133.10138	9.9
135.08047	6.0
135.11681	4.3
142.07735	1.4
143.08563	6.5
144.09312	2.8
145.10117	14.6
146.07249	3.0
147.11667	5.2
149.09612	1.5
149.13193	2.7
157.10127	7.3
158.10893	4.1
159.08060	2.1
159.11670	5.5
161.09630	15.5
161.13251	2.6
163.11218	3.0
171.11702	3.3
173.09636	1.8
173.13274	24.4
175.14832	4.7
183.11697	2.4
185.13196	3.6
187.14755	1.5
189.12843	1.7
191.14310	4.2
195.11707	1.8
197.13148	2.2
199.11005	1.5
199.14828	3.5
201.12767	1.7
201.16396	2.2
209.13242	3.4
213.16373	1.3
223.14687	2.0
227.14297	1.7
235.72493	1.3
243.17278	1.3
255.20892	1.9
258.05225	7.1
265.19525	3.5
283.20422	4.5
283.28317	8.9
284.29507	5.8
286.04718	7.8
301.07080	30.4
301.10526	1.0
301.21634	17.0
301.29153	2.1
302.07251	2.9
302.30539	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	301.216
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03938	3.8
54.90376	1.9
55.01867	4.1
55.05509	21.6
57.03415	6.9
57.07055	8.6
57.30021	2.0
59.04999	3.1
59.33841	2.3
67.05497	23.8
69.03418	4.1
69.07067	14.6
70.06593	10.0
71.04965	4.2
71.08621	3.3
71.64331	2.9
71.64703	3.9
79.05492	15.9
81.07048	22.8
83.04971	6.2
83.08605	9.8
85.02892	4.9
88.07630	13.1
91.05470	19.7
93.07044	30.0
95.04947	9.2
95.08597	31.2
97.00440	1.9
97.06497	6.9
97.10141	7.6
102.09180	4.0
105.07015	32.8
106.08646	6.2
107.04953	8.1
107.08587	33.7
109.06506	20.7
109.10146	21.5
111.04401	4.4
111.08075	3.9
116.46704	2.0
117.07001	8.9
119.08562	36.4
121.06481	5.3
121.10139	24.6
123.08025	5.7
123.11684	6.1
125.09602	7.8
129.05469	3.3
129.06947	5.3
130.07762	3.3
131.08557	30.4
133.06468	2.6
133.10124	22.4
135.08047	14.9
135.11665	7.8
137.09654	2.2
141.07042	2.1
142.07777	3.8
143.08568	18.0
144.09306	3.4
145.06464	2.6
145.10101	35.7
146.07233	4.3
147.07971	3.3
147.11700	11.9
149.09564	2.5
149.13283	6.6
155.08498	4.0
156.09366	3.5
157.10120	15.4
158.10901	9.5
159.08131	5.3
159.11667	8.7
161.09619	31.4
161.13220	6.5
163.11168	7.2
167.03496	4.6
169.10077	4.1
171.11658	10.5
173.09590	4.9
173.13243	56.7
174.13701	2.5
175.11166	2.5
175.14819	6.5
179.08643	3.1
181.10135	2.8
181.12274	2.2
183.11761	4.9
185.13223	4.9
187.11217	2.6
189.12756	2.7
191.10683	3.3
191.14223	11.7
195.11708	5.2
197.13268	2.5
199.14859	6.0
201.12762	3.7
209.13281	6.2
213.12747	3.5
223.14891	3.6
227.14455	3.3
241.15739	3.5
243.17685	2.8
255.20941	3.4
257.04349	2.2
258.05209	16.5
265.19327	3.0
283.20471	11.6
284.29391	5.9
286.04797	13.3
301.07050	82.7
301.10535	4.4
301.17618	14.7
301.21597	35.2
302.07379	6.2
302.30521	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72707	1.2
53.03938	1.9
54.06467	1.3
55.01627	2.0
55.01872	34.9
55.05269	2.1
55.05512	32.1
57.03439	54.1
60.75463	1.3
61.02936	3.0
65.03947	2.0
67.05164	2.2
67.05503	29.0
69.03427	7.8
69.07065	12.7
70.04195	1.9
70.34933	4.2
71.01371	1.6
71.04971	3.4
73.02917	17.6
79.05064	1.7
79.05493	28.0
80.06261	2.6
81.03409	7.2
81.07060	22.9
82.04200	10.2
83.04976	18.7
83.08617	12.0
84.05788	1.4
85.02911	1.9
87.04447	3.0
91.04960	2.0
91.05479	23.0
93.07039	21.5
94.07833	1.9
95.04974	12.2
95.08602	16.3
97.02881	2.7
97.06532	7.8
97.10159	21.2
98.07306	13.2
98.20832	2.6
101.06021	4.2
105.07028	13.1
107.04919	5.3
107.08607	18.7
109.06503	4.3
109.10144	5.9
111.04405	3.2
111.08070	4.2
115.05441	1.6
115.07560	1.4
116.04708	40.2
117.06984	2.1
119.08574	11.7
121.06519	2.9
121.10149	10.8
123.08052	5.9
125.09628	20.3
129.05481	100.0
129.07021	4.5
131.08533	6.7
133.06467	1.5
133.10101	9.5
135.08051	4.3
135.11690	5.5
137.09607	3.5
141.25215	1.4
143.07039	22.1
143.10695	1.4
145.10107	5.9
147.08022	1.8
147.11667	6.0
149.09644	2.1
153.09023	1.7
157.08612	43.1
157.10098	5.1
159.11676	3.1
161.13293	1.3
163.11168	4.6
165.12791	2.3
171.10207	12.3
171.11531	2.7
173.13220	1.5
175.11192	3.4
181.12259	2.4
185.11736	3.2
187.14914	1.9
189.11226	25.2
193.12149	2.9
199.13315	8.0
199.14900	2.2
200.14084	9.4
227.12762	11.0
258.05237	8.2
283.15451	1.6
284.77118	1.4
286.04694	7.5
301.03894	1.4
301.07111	25.7
301.16428	41.6
301.21414	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	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.37440	0.9
55.01872	10.8
55.05501	6.0
57.03437	2.0
65.03944	1.2
66.02785	1.0
67.05506	18.3
68.99793	2.3
69.03429	7.4
69.07059	4.3
70.06596	4.9
71.04992	2.7
71.63305	1.8
72.08155	2.6
73.02914	3.7
75.01871	1.0
79.05492	10.8
81.03413	2.0
81.07054	43.3
83.04983	1.1
83.08589	2.3
84.04459	1.1
84.08135	3.3
85.02906	2.9
85.06544	2.3
86.09711	6.5
87.04459	1.0
91.05466	4.9
93.07031	7.8
95.01299	1.0
95.04949	3.9
95.08604	77.1
97.02881	3.6
97.06542	7.6
99.04438	3.5
99.08098	3.2
103.05415	1.4
105.07036	8.2
107.04953	3.0
107.08582	5.5
108.05248	1.3
109.02882	2.6
109.06525	6.2
109.10132	1.8
111.04408	1.7
113.06041	1.5
115.03903	1.8
117.07048	1.4
119.08574	2.2
121.06470	1.7
121.10132	1.5
123.04426	3.2
123.08064	100.0
124.08416	1.9
125.05982	12.4
125.09569	1.2
126.68668	1.1
127.03954	2.7
127.07592	1.9
129.10271	1.6
130.37981	1.1
131.08589	1.2
133.04956	1.8
133.06485	4.3
133.10146	1.9
137.05986	4.6
140.04674	7.3
141.09103	13.7
145.10005	1.3
151.07538	99.8
152.07964	2.6
155.07028	6.0
155.08334	1.3
157.04984	3.8
159.11641	1.5
165.06982	2.4
166.70857	1.0
167.07143	1.7
167.08598	1.1
169.04962	13.6
169.08618	18.0
173.08107	1.2
177.05498	1.6
181.04980	8.3
181.06485	2.4
183.08011	1.3
187.09656	13.6
195.07790	1.1
197.06032	1.6
197.12938	1.1
209.07892	1.5
211.07390	2.3
212.07875	1.7
213.09131	1.1
225.08675	2.0
226.09393	2.2
226.11403	1.4
227.07091	1.3
227.09196	3.4
227.11789	1.6
236.07837	1.4
237.08778	2.8
237.11096	2.1
238.09456	4.3
240.07404	2.8
240.11176	1.6
241.06731	5.1
242.09128	1.3
252.11324	1.8
253.09117	1.5
253.11720	7.8
254.08998	4.2
255.09720	4.7
255.12222	4.1
256.10428	2.0
257.11368	1.7
258.05191	2.6
265.10690	10.4
269.08377	2.0
269.11313	7.6
270.09821	1.3
272.11469	2.5
283.11755	17.7
284.13797	5.8
286.04843	1.7
301.03662	1.8
301.06992	4.0
301.11673	17.6
301.16306	13.1
301.21643	2.7
302.12259	1.3
302.17130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01869	8.3
55.05508	5.1
57.03428	1.4
67.05502	19.0
68.99808	0.8
69.03429	10.2
69.07044	3.1
70.06586	3.1
71.04976	2.4
71.13806	2.1
72.08153	8.0
77.10886	0.8
79.05484	9.0
81.03408	3.3
81.07053	42.3
83.04968	1.8
83.08636	4.2
84.08138	2.9
85.02904	4.6
85.06534	3.0
86.09697	4.9
87.04464	0.9
91.05473	3.9
93.07044	8.3
95.01334	2.1
95.04964	5.8
95.08604	75.9
96.08977	1.2
97.02902	4.1
97.06541	5.9
99.04461	4.9
99.08083	4.3
99.67706	0.8
105.07024	9.5
107.04939	4.2
107.08588	4.9
108.05280	1.6
109.02863	1.3
109.06526	6.5
109.10113	1.1
111.08077	1.1
112.22147	0.9
118.97319	0.8
119.04971	1.0
119.08578	1.6
121.10094	1.3
123.08063	96.8
124.08379	1.9
125.05980	9.7
127.03914	3.5
127.07564	2.7
129.10257	1.2
133.06461	5.3
137.05960	1.9
141.09096	15.8
143.03392	1.2
143.11809	3.2
145.08643	1.1
145.10091	1.1
151.07541	100.0
152.07941	1.7
155.08423	0.9
157.04948	10.4
169.04993	6.9
169.08600	16.8
171.11334	1.6
175.09613	1.3
181.06511	2.0
182.08243	1.2
183.06416	0.9
187.09639	11.2
197.06085	1.0
198.06566	1.1
217.17140	0.9
223.07359	0.9
224.08119	1.0
225.08815	1.1
237.08817	1.2
237.11230	1.6
238.09386	2.0
240.07513	1.1
241.06985	9.6
253.11757	3.4
254.08966	1.9
255.09738	1.4
255.12244	4.8
265.10721	17.3
266.08890	2.7
269.07895	1.6
269.11273	2.0
273.03693	1.2
283.11765	17.7
284.10062	2.6
284.13507	3.5
286.04706	1.3
301.07129	2.2
301.11011	4.1
301.16196	11.8
301.21631	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36129	0.9
53.85182	0.9
55.01869	8.9
55.05494	5.5
57.03418	1.9
64.28982	0.9
65.03904	1.0
67.05502	15.0
69.03426	9.1
69.07046	2.9
70.06576	3.5
71.04975	1.6
71.19221	1.2
71.19536	1.1
72.08151	4.9
79.05497	8.4
81.03412	2.3
81.07053	42.1
83.04982	1.5
83.08599	3.3
84.08112	2.5
85.02885	3.0
85.06546	1.7
86.09686	4.0
87.04462	1.7
91.05453	4.0
93.07040	6.5
95.01318	1.0
95.04955	4.1
95.08601	74.9
96.08920	1.2
96.48077	1.0
97.02872	3.9
97.06513	5.5
99.04447	4.1
99.08111	4.4
101.29556	0.9
103.05440	1.2
105.07035	8.0
107.04937	3.7
107.08582	3.7
107.11190	0.8
109.02851	1.4
109.06490	6.4
111.08093	1.3
115.03894	1.5
121.06529	1.1
121.10140	1.6
123.08061	97.9
124.08376	2.6
125.05975	10.6
127.03909	5.1
127.07500	3.0
127.10809	0.8
129.10204	1.1
133.04951	0.9
133.06480	3.6
141.09093	16.2
143.08519	1.2
143.11801	2.1
145.08549	1.8
151.07533	100.0
152.07845	2.7
153.06966	1.4
157.04962	7.7
168.89520	0.9
169.05008	8.0
169.06248	1.4
169.08591	14.7
179.00323	1.0
181.06354	1.3
182.08237	1.0
187.09668	9.5
196.08446	1.0
209.05853	1.2
225.08986	1.1
237.11130	1.9
238.09351	1.8
240.07733	1.1
241.06935	8.8
253.11780	1.3
254.09006	1.4
255.09676	1.0
255.12177	2.8
265.10684	16.9
266.08762	1.1
269.08005	1.1
269.11285	2.3
270.12140	1.1
283.11768	21.7
284.13605	2.8
301.03375	2.3
301.07068	2.6
301.10654	1.4
301.12827	1.8
301.16156	9.6
301.21445	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	301.0704
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03922	0.2
59.05815	0.1
61.31237	0.1
62.49326	0.2
63.64755	0.1
65.03926	0.3
79.05499	0.4
93.07036	0.2
95.04980	0.9
95.08625	0.2
105.03378	0.6
105.88822	0.2
107.04951	4.8
111.04441	0.7
118.04158	0.3
121.02858	4.6
121.03902	0.2
123.00805	0.4
123.04418	0.7
124.01572	2.3
125.02330	0.7
128.06227	0.2
133.02832	0.5
134.03638	0.7
135.04433	0.2
137.02402	0.2
141.05426	0.2
145.06465	0.2
147.04407	0.7
151.03871	1.5
157.06404	0.3
167.03404	5.7
167.04721	0.2
168.03659	0.2
168.05669	0.3
171.08163	0.3
175.65335	0.2
179.03383	2.0
181.06461	0.3
184.05223	0.7
185.05995	0.3
191.03409	0.2
197.04428	0.7
197.06047	0.3
199.07550	0.6
202.06238	0.2
211.38280	0.2
212.04683	1.8
213.05336	0.3
217.08577	0.2
227.07021	1.6
229.04898	0.2
230.05786	0.4
240.04193	0.4
241.04971	0.5
243.06429	0.2
245.08138	0.9
255.06516	0.6
255.11267	0.5
257.04477	1.5
258.05237	12.9
259.05576	0.6
272.06851	1.3
273.07446	0.3
286.04724	7.0
287.04974	0.4
301.07056	100.0
302.07422	4.2
320.63840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.05499	0.2
57.02473	0.1
61.99246	0.2
65.03931	0.2
67.05497	0.2
67.23257	0.1
67.56253	0.2
69.07051	0.4
69.85630	1.0
71.45177	0.1
79.05479	0.4
81.07046	0.3
85.02940	0.2
95.04964	1.0
95.08542	0.2
97.10151	0.2
105.03366	0.7
107.04944	5.1
111.04413	0.4
118.04153	0.5
121.02862	4.5
123.00774	0.6
123.04409	0.6
124.01564	2.3
125.02338	0.6
126.69549	0.2
129.06995	0.2
133.02805	0.6
134.03606	0.9
139.03900	0.2
141.05460	0.2
141.06863	0.2
145.06465	0.2
147.04405	0.5
151.03894	1.3
167.03394	5.5
168.05702	0.2
169.06461	0.2
171.08054	0.2
179.03357	1.8
184.05205	0.5
197.04430	0.6
199.07433	0.3
202.06158	0.2
212.04649	2.1
213.05368	0.2
217.08585	0.2
221.30331	0.2
227.07022	1.4
230.05757	0.3
240.04298	0.2
241.04926	0.5
245.08118	1.0
255.06512	0.8
257.04459	1.4
258.05231	13.3
259.05591	0.5
272.06882	1.1
273.07526	0.5
273.38809	0.2
286.04688	6.7
287.04886	0.4
301.07043	100.0
302.07404	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	301.0701
Annotation	Diosmetin
Peak:m/z	Relative Intensity
52.03154	0.1
53.03917	0.1
53.23917	0.1
55.05500	0.1
57.03403	0.1
65.03923	0.3
65.99994	0.1
67.01845	0.2
67.05508	0.1
68.99773	0.2
69.03415	0.1
70.77046	0.1
70.77408	0.3
79.05467	0.3
80.02624	0.1
81.07027	0.1
83.04972	0.1
91.05464	0.2
93.66631	0.1
95.04955	1.0
95.08559	0.1
97.06503	0.1
98.20755	0.1
105.03378	0.6
107.04944	5.5
109.02852	0.1
111.04440	0.5
118.04121	0.5
119.04884	0.1
121.02856	4.8
123.00777	0.5
123.04410	0.8
124.01569	2.2
125.02357	0.6
128.06242	0.1
131.04938	0.1
133.02847	0.6
134.03633	0.7
135.04390	0.3
137.02370	0.1
139.03883	0.1
139.05489	0.1
141.05449	0.4
141.06999	0.1
147.04401	0.5
151.03891	1.2
153.06990	0.2
156.05716	0.1
157.06432	0.3
165.07047	0.1
167.03391	6.0
168.05682	0.3
169.06512	0.1
171.04381	0.2
171.08041	0.1
174.06781	0.2
175.07561	0.1
179.03380	2.0
181.06535	0.1
184.05168	0.8
185.04456	0.1
185.05933	0.2
186.06769	0.1
195.02834	0.1
195.04410	0.1
196.05159	0.1
197.04414	0.8
197.05994	0.2
199.07582	0.5
202.06253	0.2
203.03474	0.1
211.07530	0.2
212.04672	2.0
213.05333	0.2
213.09138	0.1
217.08484	0.2
227.07022	1.7
228.07379	0.1
229.04910	0.2
230.05775	0.3
231.06485	0.1
239.03305	0.1
240.04132	0.3
241.04887	0.5
243.06386	0.2
245.08102	0.8
255.06470	0.7
256.06943	0.1
257.04459	1.8
257.07779	0.1
258.05219	14.0
259.05563	0.4
268.03690	0.2
272.06760	1.2
273.07523	0.5
283.05988	0.2
284.06369	0.1
286.04694	6.6
287.05109	0.4
301.07034	100.0
302.07379	4.3
302.10883	0.2
314.58966	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	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
58.86926	0.1
65.03918	0.2
67.01864	0.2
68.99787	0.3
69.31613	1.6
79.05477	0.3
90.61340	0.1
91.02893	0.1
91.05476	0.3
95.04967	0.9
95.08617	0.2
103.05479	0.2
105.03375	0.5
105.06989	0.1
107.04948	5.2
108.05715	0.1
111.04409	0.4
118.04145	0.5
119.04959	0.1
121.02863	4.7
123.00768	0.5
123.04423	0.8
124.01553	2.0
125.02338	0.5
133.02841	0.5
134.03635	0.7
135.04407	0.3
137.39243	0.1
139.03917	0.2
141.05444	0.5
147.04430	0.7
151.03911	1.3
153.07040	0.2
156.05672	0.3
157.06377	0.2
165.06992	0.2
167.03395	6.3
168.05573	0.2
169.06526	0.2
171.08058	0.2
175.03813	0.2
176.79446	0.1
179.03416	2.2
181.06438	0.3
183.08173	0.2
184.05150	0.7
185.05925	0.2
197.04465	0.8
197.06039	0.3
198.06697	0.2
199.07491	0.5
203.03528	0.2
209.06056	0.2
211.07469	0.2
212.04669	2.4
213.05377	0.2
217.05022	0.2
226.06299	0.4
227.07039	1.8
229.04956	0.2
240.04141	0.3
241.04904	0.4
241.08641	0.2
245.04343	0.2
245.08148	0.8
255.06433	0.7
255.11221	0.2
257.04489	1.8
257.07263	0.2
257.07837	0.1
258.05228	13.3
259.05533	0.3
272.06805	1.1
273.03952	0.3
273.07605	0.4
283.05896	0.3
284.12717	0.8
286.04709	7.0
301.07050	100.0
302.07391	3.9
302.17590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03908	0.5
55.01851	0.7
55.05479	0.8
57.03425	0.6
62.63569	0.3
67.05460	1.0
68.88229	0.3
69.03401	0.4
69.07075	2.0
69.58755	2.4
71.04979	0.3
79.05483	1.8
81.07045	1.7
83.04954	0.4
84.04320	0.3
91.05450	1.5
93.07014	1.1
95.04923	1.0
95.08572	1.2
95.11377	0.3
97.05923	0.4
97.06525	7.7
98.20758	0.8
105.07037	1.6
107.04923	1.4
107.08554	1.4
108.02126	0.4
109.10135	0.8
109.31747	0.3
111.04425	0.4
115.05459	0.5
117.06980	0.6
119.04918	0.6
119.08555	1.0
121.10098	1.0
125.09585	0.4
128.06209	0.3
129.06929	0.5
131.04988	0.6
131.08530	0.7
133.10132	0.7
137.05936	0.8
139.27931	0.4
142.07661	0.3
143.08588	0.4
145.06511	0.8
145.10086	1.3
147.08023	0.6
147.11595	0.6
149.05998	1.1
149.13162	0.4
152.06158	0.5
153.01802	1.7
153.06966	1.0
155.08572	0.4
157.06494	0.6
157.10106	0.4
159.07985	0.8
159.11708	0.7
161.09572	0.5
163.07530	1.2
163.11172	0.5
163.80394	0.3
165.06960	0.7
169.06406	0.6
173.09634	0.6
173.13141	0.5
181.06454	1.2
183.08061	0.5
187.07527	0.8
187.11163	0.7
195.07918	0.5
198.06726	1.1
199.07494	0.4
201.09142	0.4
201.12662	0.6
203.06966	0.4
205.08614	0.8
205.12244	2.3
210.06779	0.5
211.07521	0.6
212.08141	0.4
213.08960	0.6
215.06898	0.7
217.05103	0.4
225.05283	0.5
226.06255	1.5
227.06987	0.5
229.04950	2.4
240.07230	1.8
241.08630	2.4
245.04471	0.4
257.04352	1.5
258.05237	44.6
259.05624	1.6
269.08054	1.3
272.06448	0.6
273.03964	0.6
283.16824	0.7
286.04727	54.0
286.07724	3.1
287.05042	2.4
301.07077	100.0
301.10498	7.9
301.14343	1.9
301.17981	5.6
301.21680	1.8
302.07355	4.7
302.10587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.59813	0.2
51.61477	0.2
51.92696	0.2
67.01829	0.5
68.99803	0.2
69.33479	0.3
69.63937	1.2
70.70216	0.2
74.23551	0.2
87.98396	0.2
94.04187	0.2
95.04979	0.9
105.03371	0.7
107.04952	6.7
110.96837	0.2
111.04431	0.7
113.81289	0.2
118.04132	0.6
121.02860	5.3
121.03879	0.2
123.00783	0.5
123.04423	0.8
124.01576	2.6
125.02378	0.5
129.03429	0.2
133.02809	0.7
134.03604	0.8
135.04436	0.3
141.05417	0.4
141.06995	0.2
147.04390	0.6
151.03899	1.7
157.06517	0.3
167.01956	0.3
167.03391	6.7
168.05692	0.3
175.07500	0.2
179.03409	2.1
184.05154	0.6
185.05931	0.3
197.04401	0.9
199.07558	0.9
201.05449	0.3
211.07532	0.2
212.04709	2.9
217.08611	0.3
227.07002	1.9
229.04924	0.2
240.04141	0.7
241.04982	0.7
245.08099	0.7
255.06479	1.0
255.11305	0.5
257.04495	1.9
258.05231	15.3
259.05557	0.4
272.06781	1.3
273.07742	0.4
283.06000	0.2
283.10709	0.4
286.04703	8.0
287.04977	0.3
301.07050	100.0
302.07339	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	301.0706
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01857	0.2
55.05486	0.2
57.03431	0.2
65.03926	0.3
67.01867	0.2
67.05490	0.2
68.99764	0.2
69.07048	0.2
70.67624	0.6
72.08889	0.2
79.05474	0.6
81.07039	0.3
83.05031	0.2
86.49871	0.2
91.05467	0.2
93.07059	0.2
94.04208	0.2
95.04961	0.9
97.06543	0.5
105.03399	0.6
105.07047	0.3
107.04951	5.4
107.08601	0.4
111.04414	0.4
112.79691	0.2
118.04176	0.4
121.02863	4.1
121.03785	0.2
123.00764	0.5
123.04414	0.7
124.01575	2.4
125.02338	0.6
133.02821	0.5
134.03638	0.6
135.04352	0.2
141.05391	0.2
141.07053	0.2
142.41629	0.2
147.04404	0.6
151.03876	1.4
152.53616	0.2
153.06969	0.2
156.05653	0.2
167.03397	6.3
168.05717	0.2
169.06421	0.2
171.04393	0.3
179.03369	2.1
184.05173	0.8
185.05925	0.3
195.04620	0.2
197.04442	0.8
197.06047	0.4
198.06689	0.2
199.07507	0.6
203.03334	0.2
205.12137	0.2
211.07388	0.2
212.04678	2.1
213.05341	0.3
227.06995	1.5
229.04950	0.3
240.04071	0.4
241.04916	0.4
241.08641	0.4
245.04402	0.3
245.08171	0.8
255.06596	1.0
257.04486	1.6
258.05237	13.7
259.05594	0.5
272.06705	1.0
273.03970	0.2
273.07501	0.4
283.06122	0.2
286.01538	0.3
286.04715	7.3
301.07056	100.0
302.07397	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	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
55.27668	0.7
64.17220	0.7
65.77271	0.7
70.14673	3.1
79.05502	0.9
82.39408	0.8
95.04969	1.3
107.04952	100.0
108.05295	1.3
115.05431	1.0
115.52045	0.9
117.07004	1.4
121.06582	1.0
131.04918	1.9
133.06433	0.9
145.06480	12.2
146.07237	1.6
150.06654	1.0
151.07532	9.8
155.06055	1.1
158.07220	4.8
159.04454	1.5
159.08063	0.9
161.06018	1.0
165.09125	2.4
174.06789	5.8
176.08324	1.1
177.09152	1.8
179.08537	3.6
181.06483	1.0
189.07271	1.3
189.09109	13.8
190.07968	1.3
191.08536	3.1
192.10283	0.9
192.21054	0.9
194.07333	0.9
195.08081	1.0
202.07784	1.2
203.08603	1.5
205.10133	1.4
207.08101	4.6
209.09598	1.5
217.04868	1.7
218.07274	2.8
219.08051	6.9
221.05962	2.3
221.09604	3.4
222.10492	1.1
223.07503	1.0
225.09077	1.5
233.09624	1.8
234.10442	12.8
235.07539	14.7
235.11131	1.2
236.08229	3.5
237.09074	5.3
239.06888	0.8
245.04465	1.9
249.09088	1.0
250.09914	17.9
251.10544	2.2
252.11464	9.8
253.08733	1.7
265.12234	33.4
266.11871	1.6
268.10956	8.7
269.11276	1.0
273.03876	1.8
283.13290	50.6
284.13522	2.0
300.15930	37.6
301.03427	5.5
301.11636	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	300.1593
Annotation	Codeine
Peak:m/z	Relative Intensity
69.33450	4.1
69.33881	2.2
83.04978	3.7
95.04932	0.7
98.21452	1.1
107.04286	0.6
107.04957	8.9
115.05447	0.9
121.06491	0.7
133.06532	0.6
137.05980	1.0
141.02606	0.5
141.90216	0.5
143.04941	1.2
145.06468	1.1
149.05977	1.1
153.06999	0.7
155.08553	0.8
165.07005	1.5
166.07809	0.8
167.08521	0.9
168.05843	0.6
169.06531	0.6
171.10446	0.6
174.06677	0.6
174.09154	2.3
175.07504	0.6
177.05458	1.5
179.08588	1.6
181.06487	0.9
181.10168	0.6
183.08035	1.5
184.08801	0.7
186.09135	5.0
187.09937	1.1
188.07086	0.9
188.10675	0.8
189.07840	0.6
189.09149	5.4
191.08536	1.5
192.10162	1.1
193.10091	1.1
195.08005	1.0
196.08804	1.5
197.09679	2.8
200.08496	0.6
201.09116	3.1
202.08595	10.7
203.09367	4.2
207.08086	1.3
208.08755	0.8
209.09726	3.2
210.10434	1.6
211.07533	1.2
211.11246	1.2
212.08316	3.4
213.09029	0.6
215.10728	1.4
216.10262	1.4
217.11017	4.6
218.11752	15.5
219.08072	1.1
221.09453	0.9
222.10367	1.0
223.11142	1.5
224.08353	0.6
224.11940	1.8
225.09128	2.1
226.09932	3.7
227.10738	4.4
234.10352	2.1
235.07437	2.9
236.08369	0.9
237.09093	2.4
239.06966	0.9
239.10684	8.3
240.11449	2.9
241.08574	0.6
241.12227	1.9
250.09950	2.3
251.10645	1.7
252.11496	9.8
253.08638	2.4
253.12004	1.2
254.09023	0.6
255.13908	0.8
256.10999	0.8
256.53226	0.5
265.12262	4.4
267.12491	0.6
268.10889	5.7
269.11655	1.5
271.13312	2.1
273.04333	0.7
282.14999	1.0
283.10168	0.8
283.13300	14.9
284.13739	0.7
300.15939	100.0
301.07544	0.7
301.10727	2.2
301.16159	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	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.45924	0.5
55.01870	0.8
57.52496	0.6
63.44490	0.7
68.27604	0.6
70.46754	1.2
95.04919	0.8
107.04949	17.1
115.05476	1.4
121.06499	1.4
134.10269	0.7
137.05939	0.8
145.06450	2.4
145.13031	0.6
146.07129	0.7
147.54016	0.6
151.07539	1.4
152.06218	0.7
153.06955	1.3
155.08675	0.7
158.07309	1.1
159.46780	0.6
165.06969	6.2
166.07773	1.3
167.08617	3.5
167.09842	0.7
169.06461	1.1
174.06778	1.5
175.07529	0.8
177.06938	1.1
178.07729	1.8
179.08545	3.7
181.06467	6.6
181.10059	1.7
181.40857	0.6
182.07201	3.5
183.08037	4.7
184.08900	1.0
189.07178	0.7
189.09131	2.4
190.07797	1.2
191.08572	4.0
191.23813	0.7
193.06459	4.6
193.10162	1.6
194.07263	6.7
195.08076	8.1
196.05116	2.1
196.08894	4.8
197.05981	6.3
197.09700	4.2
198.06746	2.6
199.07542	2.3
202.07790	0.9
203.08421	0.7
205.06497	1.8
206.07224	1.4
207.08040	12.2
208.08832	13.4
209.05968	6.4
209.09593	11.6
210.06773	6.3
210.10370	2.3
211.07529	21.1
212.08269	2.2
213.09052	1.8
218.07288	1.0
219.08061	7.1
220.08698	1.1
221.06001	9.0
221.09560	7.3
222.06772	2.5
223.07523	6.1
223.11197	1.7
224.08325	25.2
224.10513	1.2
225.05722	3.7
225.09090	17.1
226.06145	1.8
226.09920	6.4
227.07025	2.4
229.08542	0.8
234.10373	1.1
235.07504	10.0
235.11165	1.2
236.08293	19.6
237.09090	49.1
238.06198	4.3
238.09724	4.6
239.07036	22.6
239.10660	10.1
240.07764	9.4
240.11447	2.6
241.08600	8.9
241.12102	1.0
242.09415	5.7
242.11626	1.1
250.09918	2.2
251.10692	9.1
252.11455	57.7
253.08594	37.1
253.11909	3.7
254.09360	40.7
255.10168	13.8
256.10983	9.1
257.11697	7.6
265.12018	0.9
267.10001	1.4
268.10941	53.0
269.11441	3.0
271.13223	1.7
282.14713	0.8
283.13278	63.2
284.13586	2.4
300.15936	100.0
301.16339	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	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
56.05038	1.0
61.96135	0.8
67.05503	2.4
69.03419	1.9
69.07063	84.1
70.06585	15.9
70.22221	2.3
70.22618	2.0
72.08127	1.2
84.08121	1.4
86.09716	1.1
88.03998	1.0
91.33261	0.9
95.04963	7.2
97.02894	5.2
97.06523	8.0
98.21383	1.2
107.04873	1.2
111.04439	1.2
112.07601	17.4
115.03905	1.1
123.04417	5.0
125.02354	1.8
126.02704	1.0
130.06564	1.1
136.06139	1.0
139.03915	2.0
140.07053	86.9
141.05461	3.5
154.30418	1.0
168.06552	100.0
169.04929	9.7
169.07004	1.4
220.79318	1.0
225.47705	1.2
254.07468	3.3
254.10266	6.6
258.12564	0.9
282.06625	2.4
282.09698	43.1
300.12363	1.1
300.15784	2.3
301.06693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05531	0.7
56.96569	1.6
58.06598	0.9
67.05525	1.0
68.81054	0.6
69.03452	1.5
69.07069	26.4
70.06592	100.0
70.53145	1.5
71.05010	0.8
71.06917	0.6
73.02937	0.7
75.40746	0.6
81.07092	0.8
82.04697	0.6
84.04511	0.8
84.08138	1.3
84.95789	0.7
86.09706	1.5
93.03421	0.7
95.04964	2.8
95.08646	0.7
97.02888	1.2
97.06533	2.5
98.03218	0.7
111.04422	1.0
112.07607	91.1
113.07953	1.5
116.07123	1.0
123.04421	1.3
123.08065	1.4
127.03866	0.6
135.09447	0.6
139.03905	1.3
140.07065	71.7
141.05420	0.9
141.07393	0.7
143.08167	1.0
144.06487	0.9
145.05066	0.6
151.03938	0.8
151.07556	1.3
157.09731	4.9
161.09245	2.0
168.06564	31.1
169.04993	3.1
169.06274	1.0
172.72275	0.6
178.27696	0.7
215.02255	0.7
233.03340	0.9
240.05898	0.8
240.13280	1.0
241.08733	0.7
245.07587	0.8
254.07346	1.3
254.09947	1.2
256.09183	0.8
268.12982	0.8
282.09735	11.9
300.06055	1.3
300.15631	2.3
301.07111	1.4
301.12701	1.5
301.21707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1591
Annotation	(-)-4'-O-Methylcoclaurine
Peak:m/z	Relative Intensity
53.03919	0.9
53.37137	0.8
55.01858	1.4
61.89171	0.8
70.06567	2.1
70.44949	1.3
70.45296	3.3
72.08141	2.1
74.47090	0.9
84.04493	1.7
84.08132	2.1
86.09686	5.9
92.52108	0.8
95.08567	1.0
107.04955	9.5
115.05452	1.5
121.06490	0.9
123.08094	0.9
126.65132	0.8
136.06174	10.5
145.06624	1.1
145.42001	0.8
151.07526	2.0
153.06998	1.2
165.06960	6.5
166.07813	1.0
167.08565	2.0
169.06438	1.0
178.07777	3.5
179.08534	3.9
181.06473	6.9
181.10072	1.0
182.07283	3.1
183.08115	4.3
185.16397	0.9
189.07147	1.3
189.09091	2.4
190.07727	0.9
191.08505	4.4
193.06453	3.8
194.07251	6.3
195.08057	7.4
196.05150	1.5
196.08830	5.5
197.06003	4.0
197.09598	4.6
198.06766	1.6
199.07539	1.5
203.08595	1.1
206.07251	1.0
207.08035	10.3
208.08774	10.6
209.05978	4.0
209.09622	10.7
210.06708	8.1
210.10252	1.7
211.07518	15.8
211.10983	1.6
212.08109	2.5
213.09135	1.8
219.08017	6.1
220.08809	2.2
221.05988	8.7
221.09532	7.9
222.06686	1.3
223.07567	5.7
223.11099	2.1
224.08319	24.5
225.05441	2.6
225.09079	16.9
226.06271	2.0
226.09914	6.6
227.07050	2.3
228.07738	1.0
233.09659	1.1
234.10359	3.7
235.07518	10.2
235.11043	1.4
236.08311	16.1
237.09085	45.1
238.06258	4.0
238.09781	3.4
239.07016	21.1
239.10625	9.1
240.07809	7.8
240.11333	2.9
241.08586	10.3
242.09358	5.1
242.11757	2.1
243.10085	1.0
250.09811	2.7
251.10669	10.4
252.11436	54.8
253.08592	34.9
253.11848	3.7
254.09357	41.2
254.12083	1.4
255.10135	11.7
256.10980	9.2
257.11725	8.3
265.12283	4.2
267.10086	1.3
268.10922	48.6
269.11478	2.2
271.13083	1.5
283.13272	67.4
284.13528	2.2
285.13638	1.1
288.56729	0.9
300.15921	100.0
301.07220	0.8
301.16226	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	300.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40306	1.7
69.40726	0.7
70.97712	0.2
78.47584	0.2
97.06499	0.5
98.20727	0.4
107.04935	0.7
121.02866	0.5
122.27387	0.2
153.06909	0.5
158.03621	0.5
167.03355	0.8
168.05609	1.2
180.05698	0.3
181.06516	0.4
182.03629	0.3
183.08031	0.4
184.05205	0.3
186.03152	0.8
186.06728	0.2
196.05188	9.9
197.05922	1.5
198.06723	0.6
199.03905	1.1
199.07469	0.6
209.06026	0.8
210.03059	2.8
211.07527	10.4
212.04626	1.3
212.07883	0.4
213.05534	1.2
214.06247	2.2
215.06876	0.6
224.04671	12.3
225.05342	2.7
226.06198	1.5
227.03410	6.3
227.06931	3.3
227.09099	0.4
228.04126	5.3
237.05470	1.3
238.02757	0.2
239.07016	47.3
240.04034	0.4
240.07382	1.7
241.04970	0.9
241.08646	1.8
242.05722	15.6
243.06409	1.3
252.04198	0.9
253.04933	0.8
255.06549	1.2
256.03647	9.8
256.07272	2.6
257.04050	0.5
257.08069	12.1
258.05356	1.4
258.07968	0.4
267.06400	0.8
269.08115	0.7
270.05191	2.2
271.05984	14.1
272.06485	0.3
273.04062	0.3
284.06732	0.8
285.07556	100.0
286.04825	0.7
286.07956	3.1
300.09897	76.8
301.03448	1.4
301.07037	8.3
301.10431	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03942	2.0
55.01862	2.4
55.05491	3.3
57.03423	1.5
57.07063	1.2
67.05185	1.0
67.05499	6.2
69.03416	2.2
69.07072	5.6
70.06587	1.0
70.58714	2.9
79.05493	8.8
81.03391	0.9
81.07043	5.3
83.04960	2.4
83.08588	3.3
84.08105	1.0
85.06534	1.0
91.05476	29.8
93.07047	5.9
95.04955	2.9
95.08591	7.2
97.06531	14.7
105.06389	1.4
105.07025	17.0
107.04929	1.2
107.08577	8.7
109.06506	1.1
109.10135	2.6
111.04396	1.4
111.08075	1.3
115.05444	3.7
116.06222	5.9
117.07004	3.6
119.04936	6.8
119.06158	0.9
119.08569	18.7
121.06499	1.5
121.10143	6.0
123.08051	2.4
123.11648	1.2
125.09608	3.6
128.06195	2.4
129.07008	11.2
131.08559	44.6
133.06480	0.9
133.10123	4.7
135.08008	2.8
135.11650	1.5
137.02280	1.0
141.06940	1.2
142.07739	3.8
143.08545	4.4
145.06441	1.3
145.10143	5.4
147.04384	2.1
147.08035	1.2
147.11685	2.0
149.09644	5.5
155.08530	5.2
156.09352	2.4
157.06393	1.2
157.10104	7.0
159.08046	100.0
159.11673	3.0
161.09615	3.2
161.13234	2.1
163.11150	1.8
167.08575	2.1
168.09334	1.3
169.10117	2.8
171.08092	1.3
171.11665	5.5
173.09668	1.2
175.07494	1.4
175.11230	1.8
181.10161	1.7
182.10892	1.2
183.08044	0.9
183.11720	2.8
185.05920	1.5
185.09671	2.2
185.13181	1.2
187.07507	1.7
187.11145	2.0
189.12712	2.4
193.10152	2.3
195.08090	1.0
195.11736	1.5
197.09610	1.5
197.13249	4.6
199.07614	1.0
199.11153	7.1
199.14864	1.8
201.09082	3.0
201.12741	2.4
203.06996	1.9
203.10718	7.1
206.10881	1.5
207.11737	2.5
209.13210	1.5
211.11122	2.1
211.14844	1.8
213.05394	1.4
213.09161	1.2
213.12753	1.6
215.10605	1.0
215.14330	1.6
216.55321	0.8
221.13263	1.5
222.10271	1.1
223.14917	1.2
225.09227	1.2
225.12769	5.1
225.16241	1.2
237.16348	1.2
239.10562	1.3
239.14343	1.9
239.17960	1.5
243.13983	1.9
251.14317	1.1
253.19579	1.9
255.13901	1.6
255.17545	1.1
257.11810	1.5
257.18994	2.7
263.17938	3.5
269.15631	0.9
281.15683	2.2
281.18985	22.6
282.12018	2.5
299.05817	1.7
299.09189	2.3
299.12814	5.4
299.16364	10.4
299.20013	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	299.2004
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03937	1.8
55.05502	8.8
57.03417	3.0
57.07066	2.1
62.06088	1.7
65.03920	2.8
67.05498	13.0
67.09135	1.0
69.07067	8.4
71.04991	1.1
71.40480	2.3
74.63504	1.0
78.01791	0.9
79.05486	10.6
81.03414	1.2
81.06583	1.9
81.07050	32.1
83.04970	1.6
83.08600	3.9
84.75639	1.0
88.58265	1.0
91.05471	19.3
93.07037	44.4
94.03583	0.9
95.04940	3.7
95.08598	22.6
97.02885	1.0
97.06519	1.9
97.10149	2.6
99.00771	1.8
103.05464	0.9
105.07022	36.4
107.04935	1.5
107.08582	18.4
109.02820	1.1
109.06522	1.5
109.10139	9.7
111.04446	1.1
111.08052	2.4
115.05492	1.5
117.06998	9.2
119.08568	27.0
121.06498	3.2
121.10146	9.3
123.08107	1.4
123.11700	2.3
128.06210	3.6
129.07013	6.8
130.07784	2.3
131.08559	23.5
133.10104	14.6
135.11653	3.1
137.05965	3.6
139.07509	9.7
141.06985	2.8
142.07755	5.8
143.08557	16.7
144.09312	4.4
145.10103	24.5
147.04401	1.2
147.08018	1.1
147.11664	8.4
149.05946	2.4
149.13222	1.6
154.07739	1.7
155.08539	12.7
156.09328	3.6
157.10110	27.5
158.10828	1.2
159.08044	3.1
159.11682	70.5
160.12366	3.1
161.09618	3.8
161.13246	20.3
163.14793	4.4
168.09338	1.8
169.10117	10.2
171.08014	1.7
171.11678	14.0
173.09630	1.2
173.13219	11.6
175.07562	2.1
175.11206	1.9
175.14742	1.8
177.09094	1.2
179.10686	1.4
182.10912	2.8
183.11681	10.5
185.13242	10.7
187.07471	1.6
187.14824	11.4
189.09111	4.3
189.12727	1.1
191.10651	1.2
195.11702	2.1
196.12448	1.6
197.13245	21.8
198.13936	1.5
199.14812	11.7
201.12796	1.3
205.12148	1.5
209.13170	1.2
210.13969	1.6
211.11282	1.5
211.14789	14.0
213.12747	1.2
213.16365	12.2
215.14374	2.0
219.13757	1.5
223.14783	1.6
225.12794	2.5
225.16393	3.7
229.12383	2.6
231.13780	5.5
239.14188	1.3
243.13795	8.6
243.16040	1.1
253.19487	59.2
255.21088	17.8
257.15366	1.7
263.17892	1.9
271.20520	7.2
281.18988	8.6
299.14682	2.5
299.20038	100.0
300.20450	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03941	2.7
55.05503	11.5
57.03424	5.1
57.07074	1.9
58.03439	1.6
61.21155	1.5
67.05501	17.9
69.06713	2.4
69.07062	27.1
70.28058	8.2
71.01357	2.6
71.04988	2.2
79.05494	15.2
81.07054	30.0
83.04933	2.3
83.08618	2.0
85.06556	3.1
91.05479	22.5
93.07043	31.6
95.04985	3.4
95.08598	29.6
97.06534	3.0
97.10214	2.0
105.07027	60.3
107.04936	2.3
107.08586	37.0
109.06505	4.0
109.10152	18.2
111.08083	5.4
115.05446	2.2
117.07015	11.7
119.04927	2.6
119.08580	36.5
121.06493	4.4
121.10122	8.0
123.11703	6.0
125.05965	2.3
125.09586	3.8
128.06218	4.3
129.07018	13.8
130.07794	4.0
131.08568	42.2
133.06480	5.9
133.10129	19.6
135.08047	3.6
135.11668	4.7
137.09625	2.2
137.81812	1.7
139.07541	5.2
141.06995	6.7
142.07797	9.8
143.08557	35.0
144.09331	5.2
145.06520	1.7
145.10115	85.1
146.10873	2.4
147.07976	2.1
147.11678	59.6
153.09074	3.9
155.08540	35.7
156.09280	5.2
157.10121	50.4
159.08083	2.9
159.11687	55.0
160.12344	3.4
161.13295	12.0
168.09361	4.0
169.10110	19.6
171.11703	24.5
173.13235	8.9
175.11172	2.4
175.14764	3.1
177.09091	7.2
179.14304	3.4
181.10123	5.0
182.10884	4.0
183.11713	22.1
185.09679	2.0
185.13251	22.0
186.14014	3.2
187.11298	2.5
187.14905	2.2
189.09233	2.3
191.10709	2.5
193.10049	2.8
195.11703	4.8
196.12387	2.8
197.09593	2.2
197.11420	3.2
197.13252	57.2
198.13776	3.4
199.11165	2.4
199.14816	25.3
201.16324	2.3
203.14229	5.0
205.12323	3.3
207.11757	3.3
209.13271	2.5
210.10403	1.7
210.14020	1.8
211.11253	2.5
211.14806	27.1
212.15518	2.9
213.16397	17.3
215.14322	2.9
216.56447	1.9
217.12271	2.2
221.13303	3.1
223.14751	8.6
225.10881	2.5
225.12929	12.4
225.16417	5.0
231.13670	2.9
237.16435	2.5
238.17403	2.8
239.14352	8.5
241.15839	9.1
243.13892	9.4
253.15717	3.9
253.19502	100.0
254.20004	2.8
255.21112	22.6
257.15268	3.0
263.17999	4.0
267.46271	2.0
271.20676	12.1
281.18997	31.2
299.14886	3.9
299.20044	92.4
299.23218	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	299.2004
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
50.74020	1.3
52.51352	1.5
53.03940	2.8
55.05503	13.6
57.03440	3.5
57.07074	3.3
67.05167	2.5
67.05503	27.6
69.07067	27.7
70.37801	7.1
71.01362	2.3
71.05000	2.2
76.53749	1.5
79.05504	14.6
81.07059	34.5
83.04995	3.4
83.08618	5.7
85.06562	2.7
91.05476	25.8
93.07043	30.5
93.98523	1.5
95.04980	4.1
95.08608	30.9
95.48778	1.4
97.06525	2.0
97.10216	3.3
98.21416	1.8
103.05430	2.6
105.07026	61.1
107.08595	37.8
109.06496	2.9
109.10152	19.4
111.08102	3.8
117.07012	11.6
119.04960	2.5
119.08581	33.4
121.06499	2.9
121.10133	13.5
123.08090	1.8
123.11723	4.9
125.09625	2.4
128.06226	5.8
129.07011	12.8
130.07793	3.1
131.08568	38.3
133.06482	6.2
133.10117	16.3
135.08035	4.3
135.11719	2.4
139.07542	7.3
139.11134	1.6
141.06999	7.3
142.07785	11.3
143.08563	34.1
144.09364	5.2
145.06616	1.7
145.10117	85.7
146.10854	3.1
147.11688	59.1
149.13312	1.8
153.09108	4.5
155.08554	39.9
156.09296	5.5
157.09183	1.1
157.10124	53.6
159.08060	4.4
159.11702	60.3
160.12462	4.8
161.09644	3.0
161.13263	12.7
167.08513	3.2
168.09338	3.6
169.10124	21.5
170.10863	2.7
171.11711	25.9
173.09727	2.4
173.13274	10.9
175.11218	3.4
175.14861	2.6
177.09123	5.3
179.08607	2.2
181.10133	4.2
182.10956	6.9
183.11702	23.7
185.09721	3.4
185.13269	25.2
186.13991	2.6
187.07556	2.1
187.11215	3.1
187.14873	3.9
189.09128	1.9
191.10716	2.0
193.10246	2.2
193.12219	1.8
195.11725	4.2
197.09521	2.0
197.13268	50.5
198.13904	3.6
199.11092	2.0
199.14825	24.4
203.10771	1.9
203.14343	4.0
205.12279	1.9
207.11742	2.2
208.12367	2.3
209.13225	3.6
210.13765	2.4
211.11395	2.1
211.14824	28.3
213.12869	1.6
213.16356	15.7
215.14374	4.1
219.13910	2.0
221.13371	1.9
223.14844	7.3
225.10876	2.2
225.12923	12.2
225.16335	4.1
231.13814	3.6
237.16341	1.9
238.17093	3.7
239.14343	10.1
239.17911	3.7
241.15843	8.2
243.13889	7.4
253.19528	100.0
254.19919	4.4
255.21123	24.2
257.15500	2.8
263.17996	5.3
271.20572	8.1
281.18994	35.4
299.14774	5.6
299.20062	93.6
299.23328	4.0
300.20468	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	16.9
53.03947	7.0
55.01863	11.2
55.05507	74.0
57.03437	34.8
57.07075	11.8
59.05012	7.8
67.05507	39.9
69.49628	45.9
71.01351	16.0
79.05486	36.7
81.03403	16.8
81.07053	61.5
83.04987	12.4
83.08612	33.3
88.59592	5.1
91.05466	64.3
93.07050	45.7
95.04980	17.5
95.08605	16.3
97.02877	13.4
97.06505	11.0
97.10169	5.9
99.00815	73.3
105.07020	60.6
107.04909	16.3
107.08580	23.3
109.02878	26.4
109.10149	18.6
111.04435	6.3
111.08080	13.5
115.03899	7.7
117.06974	11.7
119.04922	6.2
119.08585	29.1
121.06506	18.0
123.11707	6.8
131.08546	9.3
133.10123	100.0
134.22598	5.2
135.08069	11.4
137.05933	7.9
139.07549	15.4
143.08545	15.7
147.53157	5.4
151.11189	30.1
157.10185	5.6
161.09610	55.4
171.08125	7.6
179.10678	24.8
189.09148	27.0
195.01265	5.5
197.11620	8.6
197.13260	6.6
199.14851	6.0
207.10136	8.0
214.20126	6.8
225.11218	53.0
232.27168	6.0
243.12195	8.6
299.14932	95.0
299.19977	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	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74020	1.3
52.51352	1.5
53.03940	2.8
55.05503	13.6
57.03440	3.5
57.07074	3.3
67.05167	2.5
67.05503	27.6
69.07067	27.7
70.37801	7.1
71.01362	2.3
71.05000	2.2
76.53749	1.5
79.05504	14.6
81.07059	34.5
83.04995	3.4
83.08618	5.7
85.06562	2.7
91.05476	25.8
93.07043	30.5
93.98523	1.5
95.04980	4.1
95.08608	30.9
95.48778	1.4
97.06525	2.0
97.10216	3.3
98.21416	1.8
103.05430	2.6
105.07026	61.1
107.08595	37.8
109.06496	2.9
109.10152	19.4
111.08102	3.8
117.07012	11.6
119.04960	2.5
119.08581	33.4
121.06499	2.9
121.10133	13.5
123.08090	1.8
123.11723	4.9
125.09625	2.4
128.06226	5.8
129.07011	12.8
130.07793	3.1
131.08568	38.3
133.06482	6.2
133.10117	16.3
135.08035	4.3
135.11719	2.4
139.07542	7.3
139.11134	1.6
141.06999	7.3
142.07785	11.3
143.08563	34.1
144.09364	5.2
145.06616	1.7
145.10117	85.7
146.10854	3.1
147.11688	59.1
149.13312	1.8
153.09108	4.5
155.08554	39.9
156.09296	5.5
157.09183	1.1
157.10124	53.6
159.08060	4.4
159.11702	60.3
160.12462	4.8
161.09644	3.0
161.13263	12.7
167.08513	3.2
168.09338	3.6
169.10124	21.5
170.10863	2.7
171.11711	25.9
173.09727	2.4
173.13274	10.9
175.11218	3.4
175.14861	2.6
177.09123	5.3
179.08607	2.2
181.10133	4.2
182.10956	6.9
183.11702	23.7
185.09721	3.4
185.13269	25.2
186.13991	2.6
187.07556	2.1
187.11215	3.1
187.14873	3.9
189.09128	1.9
191.10716	2.0
193.10246	2.2
193.12219	1.8
195.11725	4.2
197.09521	2.0
197.13268	50.5
198.13904	3.6
199.11092	2.0
199.14825	24.4
203.10771	1.9
203.14343	4.0
205.12279	1.9
207.11742	2.2
208.12367	2.3
209.13225	3.6
210.13765	2.4
211.11395	2.1
211.14824	28.3
213.12869	1.6
213.16356	15.7
215.14374	4.1
219.13910	2.0
221.13371	1.9
223.14844	7.3
225.10876	2.2
225.12923	12.2
225.16335	4.1
231.13814	3.6
237.16341	1.9
238.17093	3.7
239.14343	10.1
239.17911	3.7
241.15843	8.2
243.13889	7.4
253.19528	100.0
254.19919	4.4
255.21123	24.2
257.15500	2.8
263.17996	5.3
271.20572	8.1
281.18994	35.4
299.14774	5.6
299.20062	93.6
299.23328	4.0
300.20468	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	19.5
53.03937	4.8
55.01873	9.9
55.05507	55.3
57.03172	3.1
57.03433	35.4
57.07064	3.2
59.04979	7.7
61.55096	2.1
67.05497	33.0
69.03413	6.0
69.07047	5.4
70.47049	7.4
71.01339	6.3
71.04973	2.1
73.02895	3.3
75.33871	2.0
79.05490	27.7
81.03403	15.4
81.07052	46.0
83.04968	6.1
83.08612	35.7
84.83023	1.8
85.06519	3.6
90.58988	1.9
91.05470	52.7
93.07043	43.0
95.04952	12.9
95.08602	16.8
97.02895	14.9
97.06516	8.8
97.10178	4.6
99.00811	75.1
103.05457	5.3
105.03371	3.0
105.07018	48.2
107.04941	16.7
107.08582	17.8
109.02877	27.3
109.06489	8.1
109.10140	14.0
111.04428	4.6
111.08109	10.8
113.05982	1.9
115.03923	11.3
117.07008	6.9
119.04935	2.2
119.08557	27.2
121.06504	20.6
123.04420	4.5
123.08069	3.5
123.11715	4.8
127.03891	11.4
128.06160	4.2
129.06961	2.4
131.08517	5.7
133.06464	5.9
133.10123	100.0
135.08084	3.6
135.11685	5.4
137.05965	3.3
137.09581	4.2
139.07507	8.1
143.08548	11.9
145.10118	2.8
147.08034	3.0
151.11174	38.0
153.06990	3.0
157.10048	2.4
161.08269	3.2
161.09610	65.5
165.09135	2.2
171.08031	9.5
179.10674	42.6
189.09099	39.7
197.11745	13.8
207.10190	12.3
225.11209	47.3
225.34599	1.9
226.11490	2.9
243.12325	7.0
253.19662	2.1
299.14886	78.4
299.19971	3.7
300.09848	2.1
300.15311	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	298.2739
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
51.34340	1.3
55.05514	14.9
55.17756	1.2
56.05049	6.5
57.07079	6.8
58.02962	2.2
59.53178	1.2
60.04530	9.5
67.04264	1.5
67.05175	2.0
67.05503	24.5
68.03004	1.3
68.05016	4.0
69.03440	1.3
69.07066	13.6
69.97474	1.2
71.08627	5.0
71.62591	2.4
72.04498	2.1
74.23903	1.4
75.27502	1.2
79.05492	11.0
80.05003	3.1
81.07059	21.4
82.06583	10.8
83.04987	1.6
83.08628	8.8
83.59497	1.1
84.41821	1.3
85.10148	1.3
86.06075	2.9
91.05466	8.7
93.07038	9.4
94.06567	3.9
95.08607	16.9
95.65958	1.3
97.06527	2.5
97.10168	5.7
98.06033	1.8
100.07600	1.4
101.76710	1.6
105.07021	4.9
107.08601	3.4
109.10152	7.4
117.58001	1.3
119.08572	4.6
121.10148	4.5
121.47005	1.3
122.09660	2.1
123.11681	1.4
133.10117	2.3
135.11707	3.8
136.06169	3.1
137.09694	1.2
157.06158	1.2
157.07475	1.4
191.17920	1.3
225.09268	1.5
245.22601	2.0
250.25377	6.6
262.25223	3.8
263.23688	3.1
280.26358	100.0
281.11600	5.3
281.26801	2.6
298.14337	1.3
298.27475	6.9
299.25732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.274
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.45295	1.0
55.05513	14.3
56.05035	7.3
57.07061	3.4
58.02951	2.6
60.04524	6.0
62.73679	0.8
64.87460	0.9
65.03918	1.5
67.05180	1.7
67.05505	22.7
68.05020	2.9
69.07069	14.2
70.10679	0.9
70.54349	3.7
71.04995	1.0
71.08615	2.1
72.04509	1.2
77.52430	0.9
79.05492	13.5
80.05011	1.6
81.07053	17.5
82.06576	10.3
83.04982	1.8
83.07329	1.1
83.08624	7.5
86.06061	3.1
91.05476	9.2
93.07038	8.6
94.06568	3.9
95.04979	2.4
95.07384	1.3
95.08605	13.5
96.08126	2.8
97.06516	2.4
97.10152	3.6
98.06045	1.7
100.07597	2.8
105.06993	4.7
107.08588	6.2
109.10117	4.9
110.24635	1.1
119.08554	5.7
120.12843	1.1
121.10135	5.2
122.09641	1.8
123.11662	2.3
133.10089	4.0
135.11598	1.4
136.06197	2.7
147.11655	1.9
157.72276	1.1
175.29088	1.0
178.07755	1.1
221.09627	1.7
249.09058	1.6
250.09973	1.9
250.25299	9.4
251.06915	2.0
256.63287	1.2
262.25293	3.5
280.26346	100.0
281.11673	8.6
281.26666	3.2
291.34421	1.0
298.27347	4.1
299.19742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18660	1.0
52.49067	1.2
53.03933	3.7
56.96562	20.9
57.03427	1.9
59.04999	37.4
61.01141	1.9
61.02909	1.3
67.05489	1.9
68.02637	1.3
68.97521	1.1
69.02767	1.1
69.03419	7.4
69.07048	2.4
70.06585	3.9
70.89183	3.3
70.98119	4.0
71.04985	2.6
72.08161	1.8
73.02899	2.5
74.97571	1.5
75.02689	1.7
79.01850	1.6
79.05483	2.4
80.05017	1.1
81.03409	8.5
81.07018	1.3
83.04979	8.3
84.08140	1.8
84.96033	1.4
85.02905	12.5
85.06516	2.3
87.04465	1.5
88.99145	2.3
89.03911	6.8
90.94805	1.4
91.05434	1.4
93.07035	1.2
93.34138	1.1
95.04956	2.4
95.08559	1.5
97.02882	13.6
98.97575	6.3
101.06008	35.9
102.64401	1.2
107.04939	3.4
109.02929	1.9
110.07159	1.5
110.97520	1.8
111.04420	9.4
112.50442	1.2
113.05982	4.5
116.98601	4.7
117.03356	6.0
118.06483	1.4
118.98003	1.2
119.07048	10.1
125.02341	13.8
127.03900	3.8
128.98631	2.4
133.07655	1.5
134.99654	2.6
135.04405	11.4
136.06175	42.3
136.09677	2.0
137.02313	2.4
138.05493	1.2
139.00531	1.2
139.03899	18.4
141.05486	1.6
143.00136	4.0
145.02826	7.5
145.04922	2.9
146.99658	3.1
148.08694	1.8
149.04581	2.9
152.05644	4.1
152.06833	1.4
153.04082	2.3
157.01755	2.3
158.99690	1.8
159.03232	1.2
161.01183	6.0
161.04584	2.8
163.03896	44.4
164.04251	3.5
166.07242	100.0
167.05640	10.3
167.07002	1.6
173.01259	2.1
175.02759	1.4
177.00710	2.1
177.04236	1.4
178.07271	1.3
178.09772	2.5
182.03467	1.1
185.01241	1.1
185.92899	1.1
189.00677	2.4
189.04411	1.9
193.10814	5.5
195.06540	3.3
196.03140	2.0
201.00665	1.9
203.02174	1.5
211.05981	1.6
215.02260	4.1
217.07391	1.3
219.01793	4.3
230.99536	1.5
233.03319	7.5
237.02815	3.5
239.05540	6.9
239.11353	6.3
239.13440	1.3
240.73820	1.4
249.02866	2.3
253.07060	15.1
255.08571	3.5
262.50772	1.5
267.03809	2.2
274.06827	1.4
275.98724	1.2
281.06561	3.0
298.11490	2.9
299.06189	3.2
300.06250	3.4
300.74069	1.1
301.05850	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Oripavine
Peak:m/z	Relative Intensity
53.03935	1.2
55.12703	0.8
69.03410	1.9
69.07073	0.9
70.06574	1.9
70.96883	2.4
72.08141	1.7
73.81663	0.8
81.03413	2.0
81.07045	0.9
83.04977	1.7
84.08167	1.2
86.09700	1.2
90.94814	1.1
95.08585	0.7
97.02878	2.3
107.05006	1.2
111.04456	3.8
113.06008	0.8
125.02356	3.8
129.10193	1.1
132.08078	3.0
135.04401	0.8
136.06172	15.4
136.11195	1.4
138.09120	1.5
139.03870	7.3
140.40891	0.7
145.06438	1.1
151.07518	1.0
152.06172	3.5
160.07582	4.3
163.03966	1.1
163.07555	1.4
165.06982	1.8
166.07698	1.5
167.08545	9.7
167.69405	0.8
175.06296	1.0
176.07173	1.0
177.06888	6.1
181.06435	2.9
181.10130	1.3
184.98846	1.0
190.08611	2.5
191.08531	2.0
192.10179	5.6
194.07283	3.2
195.06303	1.6
195.08041	25.2
204.10147	2.2
205.06522	1.9
207.08064	2.3
208.05113	2.2
209.06134	1.0
209.09665	5.3
211.07553	1.1
212.08308	1.5
219.08047	3.0
222.06816	1.1
223.07527	39.6
224.08247	1.7
225.05493	1.0
227.06923	2.0
235.07455	2.4
237.09154	8.0
239.05492	3.5
239.11018	2.5
240.07764	2.8
241.08597	1.4
249.09016	1.0
253.06865	4.7
254.09286	2.4
255.10187	39.2
267.10071	1.2
269.11658	8.7
281.06436	1.3
298.14362	100.0
299.05927	1.1
299.14749	2.4
300.06354	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93095	1.1
70.93432	0.9
92.82579	0.5
102.59169	0.5
107.37731	0.4
111.59440	0.5
136.06192	0.6
165.06973	1.7
165.73064	0.5
167.08598	1.1
177.06987	1.1
178.07768	14.6
179.08545	3.0
189.07022	3.0
190.07736	2.0
191.08575	8.3
192.09203	0.6
193.10133	10.8
195.08046	2.4
202.07761	8.8
203.08556	14.3
204.09076	0.5
205.06483	4.3
206.07272	10.9
207.08044	3.7
217.06519	2.9
218.07219	3.0
219.08043	6.9
220.08859	2.0
221.06110	1.1
221.09621	27.6
223.07571	1.5
223.11197	1.0
231.07899	2.6
233.05986	8.0
234.06752	8.7
235.07509	1.4
235.11169	1.1
236.08310	1.0
247.07597	1.1
249.09117	13.8
250.09827	2.2
251.04448	1.0
251.07048	19.9
251.10500	1.5
252.07542	1.0
265.08499	1.4
266.09375	26.0
267.09729	0.9
281.11719	100.0
282.12073	1.6
298.14325	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	298.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70073	0.4
66.01107	0.4
66.09372	0.4
70.29223	1.5
81.76453	0.3
107.38396	0.3
148.15956	0.4
165.07011	0.6
167.08502	0.5
167.25452	0.4
171.08032	0.5
178.07788	6.0
179.08525	0.6
181.06409	1.2
185.05820	0.5
189.06992	2.8
190.07756	1.5
191.08557	1.2
193.10098	0.7
195.08066	3.1
196.08710	0.6
202.07790	1.3
203.08508	1.1
205.06529	2.0
206.07272	10.5
207.08025	0.8
208.08728	0.8
209.09656	1.3
210.06792	0.7
210.10312	1.9
211.07616	0.5
216.05748	0.6
217.06471	1.5
218.07254	3.4
219.07994	1.2
220.08795	0.8
221.09602	22.2
222.10187	0.6
223.07561	1.7
224.08310	3.3
225.09091	1.6
232.08638	0.4
233.05804	0.4
234.06760	11.8
235.07544	1.4
237.09100	1.0
238.09866	6.4
249.09113	47.5
250.09572	1.3
251.07048	1.2
251.10735	0.7
253.12270	1.1
259.08633	0.9
266.09406	10.0
266.12106	0.8
267.83020	0.4
281.11719	100.0
282.12024	1.8
298.14359	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.01867	0.2
61.01146	4.5
61.35940	0.2
62.70480	0.2
71.37572	0.3
71.37918	0.3
75.02699	2.5
94.04048	0.4
97.02885	1.4
110.49267	0.2
115.78867	0.2
119.03537	0.7
136.06175	100.0
137.04587	0.6
137.06525	1.0
138.71901	0.3
145.03191	1.7
161.38933	0.2
163.04237	1.1
298.09656	3.1
298.12830	0.3
298.14459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Tuduranine
Peak:m/z	Relative Intensity
68.01456	0.6
70.77651	1.6
74.23386	0.6
77.78526	0.6
84.87269	0.6
91.05474	0.8
96.73875	0.6
98.20822	0.6
107.04953	1.6
122.06062	0.6
130.06450	0.9
134.06013	0.7
146.06013	14.4
150.06726	0.7
160.07584	21.8
161.08360	61.2
162.05479	1.9
162.09076	0.8
165.07037	1.0
165.09123	3.1
166.07678	1.7
167.08556	2.0
174.05449	1.3
175.06296	1.9
175.61273	0.7
176.07057	4.8
177.07925	3.1
178.07759	1.9
179.08545	2.0
181.06444	0.7
181.10156	0.9
183.08072	1.4
190.08632	12.7
190.91914	0.7
191.09326	1.3
192.10190	58.6
193.10295	0.8
194.07254	6.4
195.08080	6.9
198.06758	1.1
205.06560	0.8
206.07278	1.3
207.08054	3.4
208.08766	1.0
209.09599	1.9
210.10365	4.5
211.07584	3.8
211.10899	0.6
222.06831	3.5
222.10402	4.0
223.07549	8.4
225.09012	0.8
226.09872	2.8
235.07245	1.0
236.79996	0.6
237.09126	2.3
237.18076	0.7
238.09865	17.3
239.07077	4.9
241.08678	1.4
241.12222	1.5
250.09978	3.4
251.07033	1.1
251.10295	0.6
253.12196	5.3
254.09409	11.6
266.09216	2.9
269.11725	14.8
269.14609	0.8
281.11664	6.4
283.09274	1.1
298.14380	100.0
299.14801	0.9
305.06061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00339	1.8
56.11557	1.4
56.96564	18.9
63.39236	1.5
70.00051	3.2
70.00361	10.3
71.95258	2.1
72.32370	1.7
75.85568	1.4
98.20788	1.7
98.42706	1.8
98.97583	99.3
116.98624	87.2
119.01939	5.5
122.59306	1.6
134.99651	41.7
137.02960	2.5
140.00204	2.6
152.70447	1.7
153.00726	4.7
158.01236	3.2
172.94373	2.2
177.00945	7.5
190.95416	5.9
197.27274	1.7
208.96321	2.9
214.95486	2.2
216.98715	2.2
217.98862	1.8
219.01970	13.8
232.96455	9.4
234.99734	4.5
235.99948	6.4
250.97466	8.1
256.96414	15.4
261.03076	19.9
272.94315	2.2
273.94482	4.1
274.97488	100.0
275.04489	3.5
291.95453	2.3
292.98535	78.9
297.99036	4.5
298.97641	2.7
316.00125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69525	1.8
53.82356	1.7
55.56440	1.5
56.96562	21.8
61.01153	3.2
61.29253	1.5
69.03410	3.1
70.06598	3.6
70.29439	1.5
71.36150	2.0
71.95238	2.3
73.02924	2.0
79.08506	1.6
85.02130	1.7
85.02901	7.5
88.72762	1.8
97.02899	5.1
98.97581	100.0
116.07151	2.0
116.98620	73.1
127.03955	2.3
128.98550	2.0
134.99652	29.7
136.06183	99.1
140.00169	2.2
143.00153	2.1
153.00739	6.3
158.01160	1.7
163.03947	4.7
166.07266	27.2
166.09688	1.9
172.94333	4.7
173.02472	2.1
177.00740	2.4
190.95331	8.4
193.10811	4.6
214.95348	2.3
218.54019	1.7
232.96544	10.1
232.98724	1.6
233.01369	1.7
239.11432	5.6
250.97554	8.1
251.02510	5.6
256.96417	10.5
257.04373	2.0
266.08939	2.5
274.97501	80.9
275.02197	3.6
292.98541	69.8
293.03522	2.8
297.99072	4.0
298.11584	5.5
298.18832	3.2
316.00165	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	297.1848
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
52.42024	0.6
53.03936	2.4
55.05505	3.2
55.05713	0.6
63.85561	0.6
64.22540	0.6
65.03916	0.6
67.05510	6.3
69.07065	2.8
70.06416	2.1
70.06831	1.5
76.29329	0.5
78.84344	0.6
79.05493	7.0
80.54964	0.6
81.07054	13.7
83.08593	0.7
85.06535	1.8
91.05478	16.9
93.07044	40.9
95.04965	3.1
95.08599	9.8
97.06514	1.5
103.05466	1.1
105.04533	0.7
105.07029	30.1
107.07938	1.0
107.08597	10.3
109.06505	1.6
109.10152	2.9
111.08068	1.4
115.05437	1.1
117.07017	7.4
118.07800	0.9
119.04965	1.3
119.08578	25.5
120.08943	0.6
121.06525	1.7
121.10162	3.0
123.08084	1.4
128.06230	2.7
129.07019	5.4
130.07832	0.9
131.08574	11.9
133.06444	0.8
133.10132	8.9
135.08015	1.4
135.11688	1.4
137.05942	3.3
139.07541	2.9
141.06981	4.0
142.07779	10.0
143.08562	12.2
144.09354	2.8
144.58862	0.7
145.10121	11.0
147.08076	1.1
147.11668	1.9
149.05971	2.1
151.07529	0.8
153.07007	1.5
154.07707	0.7
155.08546	10.5
156.09354	2.8
157.10120	40.1
158.10887	2.2
159.08055	1.2
159.11688	37.4
160.12248	0.8
161.13255	13.0
165.06998	2.5
166.07761	1.0
167.08542	3.9
168.09340	3.1
169.10138	11.9
170.10901	1.4
171.08075	0.8
171.11703	8.9
173.13290	4.5
175.11183	3.3
177.09160	1.1
177.12759	1.4
179.08583	2.6
180.09351	3.2
181.10107	8.3
182.10878	2.1
183.11678	12.2
185.09607	1.2
185.13208	2.9
187.07475	2.1
187.11203	1.0
193.10104	1.4
194.10904	3.3
195.11684	16.7
196.12453	2.1
197.13231	6.1
199.07573	1.4
199.11221	0.7
199.14963	1.5
203.10727	0.9
207.11684	2.0
208.12492	1.1
209.13266	18.3
210.13750	0.6
211.11237	0.8
211.14810	6.4
212.15154	1.1
213.09068	1.2
213.12692	1.5
221.13277	3.0
222.13939	1.3
223.11241	1.7
223.14818	3.5
225.16426	1.7
227.10709	1.6
227.14182	0.8
229.12256	7.5
235.14957	0.7
236.15546	2.2
237.12794	1.7
237.16357	1.4
239.14243	0.9
241.12254	5.0
241.16055	0.8
241.19437	0.9
241.40962	0.6
251.17949	42.1
252.18199	1.5
253.19547	2.8
255.13736	2.0
255.92010	0.7
269.15961	1.2
269.19003	11.9
279.17398	6.0
297.18491	100.0
298.18799	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	297.2786
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
52.06485	0.5
53.03933	1.3
55.01867	1.1
55.05508	17.0
55.05781	0.9
57.07077	7.7
59.05000	5.7
64.67376	0.6
67.05502	9.0
69.03447	1.3
69.07067	100.0
71.04989	1.3
71.08628	2.7
71.65224	1.2
72.76964	0.6
76.71035	0.5
79.05489	4.4
79.88130	0.5
81.07056	24.1
83.04974	1.0
83.08613	20.4
83.09108	1.0
85.06541	3.3
85.10187	1.1
89.46793	0.6
91.05485	2.1
93.07042	10.0
95.04927	0.7
95.08606	22.0
97.06535	5.3
97.10163	5.4
99.08099	2.6
103.17793	0.6
105.07074	1.1
107.08588	10.9
109.10153	14.6
111.08085	3.1
111.11724	16.1
121.10139	7.2
123.11704	9.1
125.09650	0.9
125.13289	0.9
127.11172	1.1
129.12776	1.1
135.11694	5.8
137.13243	3.6
139.11180	7.0
149.13242	6.1
151.14854	2.3
153.12791	0.8
163.14836	1.9
165.16327	0.9
167.14331	3.8
177.16393	1.7
179.08104	0.8
179.17964	0.9
191.08037	0.7
191.17998	0.9
196.44333	0.6
205.19559	1.5
209.19096	1.8
221.09598	0.8
222.09955	2.5
223.20557	1.1
230.32187	0.6
235.07106	0.8
250.09486	1.7
261.25845	2.9
265.10837	0.9
279.26773	8.1
280.10498	11.5
281.11484	1.2
288.41446	0.7
297.10873	0.8
297.27881	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	297.1847
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03943	1.6
55.01870	0.9
55.05512	4.3
57.07061	1.2
63.43802	0.7
65.03923	0.7
67.05505	9.9
69.07063	3.6
70.06598	3.4
71.04977	0.9
79.05486	8.7
81.07054	12.3
83.04985	0.7
83.08605	1.1
85.06522	0.8
91.05470	13.5
93.07040	44.1
94.07368	1.1
95.04955	2.3
95.08600	23.3
97.06525	1.0
97.10199	0.6
103.05485	0.8
105.07026	20.0
107.08579	10.5
109.06538	1.0
109.10134	4.4
111.04418	0.8
111.08064	4.9
115.05444	2.4
117.07015	8.0
119.04876	0.8
119.08569	10.1
121.06480	3.7
121.10145	6.8
123.08060	2.9
125.06007	0.9
128.06212	4.4
129.07010	6.7
130.07765	1.9
131.08560	15.0
133.10141	4.4
135.08015	1.1
135.11685	0.9
137.05922	1.2
139.07530	13.8
141.06958	4.6
142.07770	14.1
143.08546	23.9
144.09320	3.0
145.06445	1.2
145.10112	22.0
147.11696	3.8
147.12799	0.8
151.07591	0.8
153.06992	1.5
154.07761	0.9
155.08548	13.9
156.09355	3.4
157.10124	43.6
158.10915	18.5
159.08018	1.1
159.11682	29.8
161.09589	1.6
161.13266	2.5
165.06979	3.8
166.07806	1.8
167.08542	7.7
168.09328	3.3
169.10117	14.0
170.10783	1.4
171.08043	1.1
171.11673	9.9
173.09705	1.5
173.13261	3.2
175.11205	2.6
179.08522	4.1
180.09364	5.5
181.10127	12.4
182.10930	3.7
183.11687	15.3
185.09625	1.2
185.13287	4.5
187.07510	1.0
187.11214	1.7
187.14894	1.1
189.09055	0.7
189.12733	0.9
192.09352	0.8
193.10136	2.9
194.10942	3.6
195.09863	1.4
195.11684	28.8
196.12389	5.2
197.09451	0.9
197.13251	12.2
199.07529	0.6
199.11195	1.8
199.14818	2.4
201.08992	1.2
201.12794	1.2
203.10616	1.0
207.11696	2.8
208.12386	1.2
209.13237	24.5
210.13870	2.1
211.11205	1.5
211.14801	12.8
212.15337	0.9
213.09131	0.9
213.12717	2.0
213.16302	0.7
219.11928	0.7
220.12570	0.7
221.13240	4.1
222.14029	1.3
223.11316	3.7
223.14796	9.4
224.15363	0.8
225.16414	2.7
227.10757	1.3
227.14262	1.2
229.12268	2.6
235.14885	1.1
236.15570	3.7
237.12796	1.4
237.16364	4.9
238.17104	1.8
239.14330	2.0
239.17990	1.2
241.12248	2.8
241.19446	1.6
251.17938	55.3
252.18587	4.1
253.19476	23.8
255.13782	1.2
255.17215	0.9
261.16379	1.6
269.15442	2.0
269.18988	14.0
279.17496	7.9
279.20782	1.0
280.10614	1.6
297.18497	100.0
297.21860	5.6
298.18826	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	297.1847
Annotation	MF-EA 705beta
Peak:m/z	Relative Intensity
53.03928	1.3
55.05507	4.3
55.83631	0.7
57.07064	1.0
59.16875	0.6
65.03941	1.1
65.95047	0.6
67.05502	8.5
69.07058	4.1
70.01770	1.0
70.02180	2.6
71.04993	0.9
72.72149	0.6
79.05487	8.0
81.07047	11.8
83.08609	1.5
85.06538	2.5
91.05465	9.8
93.07037	26.1
95.04973	1.9
95.08598	15.1
96.62133	0.8
98.20853	1.0
103.05470	1.0
105.07024	18.2
107.08596	11.1
109.10133	5.1
111.04422	0.6
111.08089	3.0
115.05476	1.9
117.07016	6.4
119.08562	12.7
120.82244	0.6
121.06493	2.0
121.10131	5.7
123.08088	0.9
123.11687	0.7
125.05993	1.5
128.06200	3.1
129.06996	6.4
130.07777	1.7
131.08563	15.4
133.10104	5.3
135.08049	1.1
135.11667	1.9
137.05983	0.7
139.07521	6.2
141.06975	3.4
142.07767	8.5
143.08556	19.9
144.09317	3.3
145.10106	17.5
147.07980	0.9
147.11707	3.3
149.05939	1.2
149.13228	0.8
153.07001	2.2
154.07765	2.0
155.08542	13.3
156.09344	2.7
157.10120	38.7
158.10892	11.6
159.08133	1.0
159.11685	29.6
160.12108	0.7
161.09633	1.2
161.13289	2.4
165.07010	4.2
166.07774	0.8
167.08540	6.0
168.09344	3.0
169.10109	16.1
171.08075	1.9
171.11679	10.1
172.12341	1.1
173.09610	2.1
173.13242	4.9
175.07552	1.3
175.11220	2.2
179.08569	3.9
180.09348	4.4
181.10101	13.3
182.10869	4.3
183.08022	1.0
183.11662	15.4
183.13184	1.1
184.12245	0.9
185.09653	1.8
185.13252	5.3
187.07550	1.5
187.11150	1.2
187.14832	2.1
189.09096	2.6
189.12801	1.0
193.10130	3.3
194.10907	3.2
195.09880	1.4
195.11676	27.9
196.12428	5.2
197.09605	0.9
197.13251	14.0
198.14012	1.6
199.07512	1.0
199.11194	1.7
199.14854	3.5
201.09134	1.5
201.12663	1.0
201.16362	1.8
203.10660	1.9
207.11662	2.6
208.12485	2.6
209.13242	24.9
210.13806	1.3
211.11301	1.4
211.14812	11.1
213.08997	1.5
213.12808	2.5
213.16382	1.1
215.14209	0.7
215.17877	0.7
217.12315	1.0
219.11696	1.0
221.13260	2.1
222.14056	3.0
223.11249	2.4
223.14799	9.7
225.16373	4.1
227.10655	2.9
227.14305	2.1
227.17900	1.4
229.12308	2.2
233.13181	0.7
235.14763	1.2
236.15578	2.4
237.12813	1.7
237.16347	4.6
238.17090	0.8
239.14308	2.4
239.17967	4.0
241.12256	4.2
241.19597	2.9
246.14061	1.2
251.17937	56.8
252.18495	4.1
253.15604	0.9
253.19473	12.7
254.19856	0.7
255.13860	2.6
255.17485	1.3
261.16379	2.6
269.15463	4.2
269.19016	12.7
279.17453	8.6
279.21051	3.1
280.10373	0.8
297.18509	100.0
297.21985	9.8
297.25735	11.5
298.18768	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	297.1119
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
55.01852	1.2
66.78881	0.4
67.05482	1.0
68.54098	0.4
69.03421	0.6
69.93855	2.8
71.04975	0.6
79.05466	0.7
80.44525	0.4
81.03403	0.7
81.07046	1.2
84.08118	0.5
91.05431	1.5
92.37513	0.4
93.07037	1.1
95.08580	0.8
97.02879	0.7
98.20805	0.7
103.05466	0.5
105.07030	0.6
107.04891	0.8
109.10104	0.7
119.08559	1.9
120.05050	0.4
120.08064	2.1
123.08091	0.6
129.07071	0.5
135.04391	0.9
136.06161	1.0
137.09595	1.5
147.07932	0.6
152.06145	1.0
153.06979	2.3
165.06979	10.4
166.07753	8.3
167.08588	2.6
168.05690	1.3
169.04953	0.5
176.06197	1.3
177.05562	0.8
177.06947	4.3
178.05975	0.9
178.07751	6.0
179.08543	10.1
180.09276	1.6
181.06500	4.0
181.10103	5.0
189.06973	7.3
190.07771	12.2
191.08546	31.5
192.05716	0.6
192.09125	1.7
193.06479	8.1
194.07269	14.8
195.08017	4.6
196.08766	0.7
197.06041	0.9
201.01785	0.5
202.07794	1.7
203.08469	0.6
204.05695	1.8
205.06487	13.0
206.07213	2.8
207.08043	20.9
207.10014	1.1
208.08844	7.9
209.06117	0.5
209.09610	11.7
210.06606	0.5
211.07657	3.6
217.06548	2.7
218.07248	5.7
219.08035	20.3
220.08736	2.5
221.05968	9.1
221.09599	0.5
222.06744	35.1
223.07524	8.2
224.08208	1.0
225.09129	0.9
229.07611	1.0
233.05992	7.0
234.06624	1.9
235.07521	7.9
236.08328	7.3
237.09099	28.6
238.06339	0.9
238.09531	0.6
239.07022	9.2
247.05214	0.7
247.07570	7.2
248.08054	0.8
249.05406	4.2
250.06238	5.9
251.07048	6.7
251.10608	0.9
252.07828	1.5
253.08530	3.6
254.09222	1.5
255.10225	3.7
263.07013	4.4
264.07761	3.6
265.08591	100.0
266.09296	13.9
267.06522	14.0
267.09586	0.7
268.07074	0.9
279.06296	0.7
279.10104	2.3
280.10306	0.6
281.08093	0.9
282.08868	47.6
283.09290	1.5
297.11197	90.0
298.07059	0.8
298.11407	3.3
299.06158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15572	0.4
70.24797	1.3
70.25193	0.8
81.43998	0.4
97.09234	0.3
111.17918	0.4
123.96062	0.3
141.11273	0.3
152.06145	0.6
153.83977	0.4
165.07007	0.8
166.67604	0.3
178.07755	9.4
179.08395	0.5
181.06467	0.4
189.06981	3.6
190.07762	3.5
191.08591	1.9
192.09299	0.6
193.10135	0.7
195.07977	0.5
202.07709	2.0
203.08522	0.6
205.06458	2.7
206.07262	11.5
208.08818	3.1
217.06447	1.3
218.07283	4.6
219.08086	1.7
220.08789	1.4
221.09599	39.4
222.09991	1.1
223.11200	3.1
231.08112	0.6
233.09639	2.9
234.06743	8.5
234.08900	0.7
235.07491	1.3
236.08273	2.7
246.06827	0.6
247.07481	1.3
248.08238	1.0
249.09094	24.7
250.09560	0.6
251.07161	0.5
251.10652	1.4
261.09131	1.3
262.09860	0.9
263.06964	1.0
264.07803	2.8
279.10144	100.0
280.10507	2.6
296.12781	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	297.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45822	6.8
51.98753	7.6
56.96553	26.1
57.03423	22.2
57.18555	7.2
61.02902	8.3
61.41953	7.2
63.10583	7.1
67.49574	6.8
69.03407	11.9
71.00285	24.5
73.02890	28.1
81.03413	9.9
84.96019	7.4
85.02892	17.0
89.17950	7.7
95.20809	6.6
95.99171	7.7
96.03570	7.9
97.02867	15.3
98.97585	53.0
105.11106	8.8
110.01267	8.5
110.97546	8.4
111.81293	7.0
116.98604	32.3
119.01853	22.1
119.54766	8.1
128.02295	17.2
128.43954	7.8
128.98570	22.0
131.01825	7.2
134.99657	16.7
143.00159	21.3
144.02556	8.4
146.99593	12.0
158.99657	20.1
160.00235	6.7
161.01201	12.0
161.02937	8.9
163.04414	6.9
165.96135	6.8
166.43272	6.6
170.03265	13.4
171.04123	8.0
173.01271	7.9
173.07602	7.6
177.00795	43.2
178.01152	9.6
189.00710	17.2
191.03909	21.3
198.04732	24.4
200.04405	58.6
201.00803	17.9
207.05206	100.0
215.98592	9.0
216.05653	16.0
219.01900	27.7
227.56650	9.0
231.01901	7.6
233.99675	11.6
237.02740	23.3
245.03479	15.3
251.04402	10.6
255.03787	34.1
260.52509	8.8
261.03180	9.2
269.05493	12.6
279.03851	32.5
279.06870	7.9
289.02554	9.0
297.04901	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77346	0.4
52.71941	0.4
54.55397	0.4
54.55702	0.4
69.96485	2.5
70.02300	0.4
77.59782	0.4
89.44163	0.4
98.21547	0.4
98.52995	0.4
124.32304	0.4
165.06927	0.4
174.32838	0.4
178.07765	1.0
179.08482	0.8
180.09401	0.8
189.06976	1.0
190.07787	3.7
191.08560	2.3
193.10095	1.4
202.07802	1.8
203.08557	2.7
205.10030	0.5
207.08124	0.8
208.08891	1.3
215.08344	0.4
217.06349	0.5
218.07224	4.5
219.08060	5.2
220.08820	0.7
221.05981	1.2
221.09544	1.1
222.06729	2.0
223.07558	1.2
230.07283	0.7
233.09694	0.8
234.90488	0.5
235.07495	0.7
236.08298	1.7
246.06810	1.9
247.07545	10.0
248.08307	4.9
249.08984	2.0
250.06189	0.4
263.07031	20.4
264.07803	49.7
265.08240	1.0
279.10159	100.0
280.10471	2.6
296.09714	0.8
296.12820	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	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03928	4.5
55.01860	3.4
55.05508	16.4
57.03421	3.4
57.07074	6.0
60.08152	1.4
63.19077	0.9
65.03926	1.5
67.05503	40.7
69.03421	3.8
69.06721	1.8
69.07066	22.0
71.04984	3.8
71.07359	1.2
71.08630	21.9
71.63641	1.1
74.15379	1.0
79.05057	1.9
79.05485	24.5
81.03408	16.4
81.06582	1.7
81.07053	28.7
81.48340	1.0
83.04975	10.6
83.08608	6.2
85.06544	2.4
86.09715	6.9
87.30013	1.0
91.05477	17.0
93.06470	2.0
93.07042	30.3
95.04974	18.0
95.08605	25.9
97.06538	7.3
97.10161	4.6
98.98476	1.5
99.08091	16.0
105.07024	9.5
107.04935	1.6
107.08591	13.8
109.06510	5.2
109.10161	13.5
111.08086	1.6
117.07001	3.9
119.08563	10.1
121.06531	1.3
121.10143	11.8
123.08060	4.1
123.11678	2.6
124.99983	4.3
125.09659	1.4
127.11172	2.1
129.07007	2.2
131.08548	4.2
133.10107	7.5
135.08081	1.2
135.11703	7.8
137.06013	1.3
137.09589	8.6
137.52275	1.0
139.11185	3.4
143.08543	3.5
145.10127	4.3
147.11681	3.9
149.09613	1.5
149.13251	3.1
151.11162	21.4
153.12744	2.2
157.10149	3.7
159.11693	4.7
161.09511	1.2
161.13229	4.7
163.03928	1.7
163.11186	3.0
165.12801	2.1
171.11662	1.3
173.13301	1.7
175.03925	1.4
175.14835	1.4
177.12709	1.8
178.07825	2.1
179.14294	7.8
183.11755	1.2
184.07350	15.5
185.07803	1.3
185.13332	1.2
189.07031	1.3
189.12730	1.0
191.14275	1.2
193.15915	1.2
199.14857	1.7
203.12721	1.3
206.07233	1.5
217.15845	2.5
218.07344	1.3
219.08115	1.5
221.09648	5.6
221.15259	5.4
235.16924	1.9
236.29970	0.9
237.10999	1.5
241.19543	2.0
247.07591	3.1
249.09062	4.2
249.22185	2.0
259.20526	2.3
265.10489	1.7
277.21616	66.9
278.22012	1.5
279.10150	23.2
279.13095	1.6
295.11520	6.8
295.22693	100.0
296.23056	1.3
310.46133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03942	10.7
55.01874	39.6
55.05511	56.2
57.03445	5.9
57.07064	13.0
67.05502	100.0
69.07064	41.5
71.05000	5.1
71.08650	23.6
79.05493	53.3
81.03407	19.7
81.07058	92.2
83.04982	21.5
83.08624	34.9
85.02888	4.6
85.06544	8.7
85.10187	4.9
86.64775	3.2
91.05478	37.5
93.07043	75.0
95.04963	23.0
95.08601	59.9
96.16461	3.4
97.06529	13.5
97.10164	20.7
99.08086	27.4
105.07022	35.0
107.04917	6.7
107.08585	38.3
109.06467	10.1
109.10139	28.7
111.08096	32.7
117.07002	10.1
119.08598	21.7
121.10131	26.0
123.08057	5.9
123.11688	12.0
125.05179	3.2
125.09627	17.4
129.07010	7.0
131.08569	9.6
133.10114	37.3
135.08028	5.6
135.11676	21.6
139.11224	9.1
143.08568	8.1
145.10107	7.9
147.11685	22.6
149.09592	8.9
149.13252	17.0
150.09868	3.9
151.11208	20.9
153.09068	4.2
157.10092	11.7
159.11703	10.6
159.96803	3.6
161.13232	18.0
163.11224	8.4
163.14748	4.5
165.12752	12.6
171.11679	6.2
173.13235	8.6
175.11168	5.3
175.14861	6.6
177.12810	4.0
179.14276	11.6
185.13234	4.0
189.11192	5.0
195.13852	4.8
199.14905	5.9
207.13812	3.7
221.09734	5.2
221.15340	5.6
237.11037	5.4
241.19446	6.2
249.22101	4.8
259.20627	11.6
277.21652	93.1
279.10162	24.5
295.11630	7.8
295.17313	3.5
295.22720	53.5
296.12683	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	295.2266
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	8.2
55.01869	25.5
55.05291	4.3
55.05512	55.8
57.03439	7.9
57.07060	12.2
67.05162	6.7
67.05503	97.9
69.03420	7.7
69.07071	46.1
71.04983	6.0
71.08641	21.0
71.08983	4.3
71.65445	5.4
71.65842	6.0
79.05492	58.3
81.03416	12.3
81.07050	100.0
83.04985	19.8
83.08611	36.3
85.02872	5.3
85.06533	8.9
91.05471	38.1
93.07031	73.1
95.04948	30.1
95.08607	56.4
95.09161	6.6
97.06528	11.6
97.10147	24.2
99.08091	11.1
105.07034	36.3
107.08591	49.3
109.06496	13.2
109.10143	37.1
111.08070	34.4
113.09663	6.5
117.06995	10.0
119.08554	28.2
121.06540	5.3
121.10152	32.5
123.08112	4.8
123.11707	8.5
125.09627	17.3
128.06227	4.0
129.06984	6.7
131.08521	17.4
133.10118	28.1
135.08063	6.3
135.11705	22.0
137.09598	5.6
139.11136	10.3
140.18361	4.4
142.07787	4.7
143.08531	10.2
145.10141	8.2
147.11652	24.2
149.09610	8.6
149.13248	18.4
151.11166	15.6
153.09061	4.3
157.10146	7.4
159.11685	15.1
161.13263	19.3
163.14832	5.5
165.12758	8.2
169.10114	4.5
171.11688	9.9
173.13326	4.9
175.11160	9.4
177.12730	7.0
178.07704	6.7
179.14326	9.1
185.13158	6.1
189.11240	6.0
190.31944	3.9
195.11650	5.0
195.13969	4.7
208.12273	5.3
209.13248	5.8
217.15953	6.0
221.09669	21.4
222.14009	5.7
234.06810	6.8
235.16922	5.7
237.10913	7.4
241.19537	9.6
247.07550	9.8
249.09064	12.4
259.20529	10.2
264.07846	6.2
265.10666	5.9
277.18735	8.2
277.21628	82.9
279.10211	63.8
289.47247	4.7
295.11603	13.7
295.17303	8.7
295.22900	55.9
296.09192	8.8
296.12766	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	11.6
53.98039	2.4
55.01864	12.3
55.05260	3.7
55.05507	44.9
57.03434	6.9
57.07070	17.0
65.03926	4.6
67.05501	93.7
69.03421	9.1
69.07068	39.9
71.00234	8.3
71.04984	5.8
71.08629	36.4
79.05489	61.8
80.54335	2.5
81.03418	36.2
81.07054	67.5
83.04965	20.3
83.08624	23.6
85.02914	4.1
85.06519	7.8
85.10168	8.3
88.28041	2.6
91.05474	31.3
93.07036	62.1
95.04963	30.8
95.08611	42.1
97.02881	11.5
97.06520	10.6
97.10176	19.5
99.08089	25.9
103.05460	3.2
104.10707	2.8
105.07021	44.5
107.04958	5.3
107.08586	44.8
109.06516	8.5
109.10162	28.9
111.08054	6.3
113.09619	13.9
117.07017	10.0
119.08576	24.5
121.10150	22.7
123.08064	10.3
123.11709	10.8
125.09657	15.7
127.03948	3.7
129.07027	5.5
131.08585	11.1
133.06496	95.6
133.07567	7.4
133.10100	19.1
135.08073	3.8
135.11700	20.6
137.09593	5.7
139.11128	3.3
143.08597	6.2
145.10132	8.8
147.11656	16.2
149.09599	4.5
149.13257	5.7
151.07573	4.0
151.11186	36.6
153.09056	3.2
153.12755	5.5
157.10121	8.0
159.11629	6.2
161.13251	11.6
163.11183	13.4
165.12747	28.3
169.10129	2.8
171.11711	7.7
173.13258	4.0
175.14874	4.5
177.12762	3.0
179.14314	14.7
181.12192	3.2
185.13237	5.8
189.11227	7.3
189.12764	3.8
190.92651	2.9
199.14818	6.3
206.07309	3.8
207.13734	4.7
209.13310	3.0
217.15765	5.0
219.08252	3.8
221.09628	9.5
221.15338	3.9
231.21068	5.8
237.11060	4.6
241.19569	8.5
247.07657	5.7
249.09146	7.5
249.22191	5.1
259.20560	9.2
277.21631	100.0
279.10141	31.9
295.11624	9.6
295.17004	6.3
295.19809	6.1
295.22729	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.54057	2.2
52.38191	2.3
52.55565	2.2
53.03949	24.5
54.11260	2.4
55.01861	8.2
55.05511	34.0
57.03432	2.7
57.07064	7.1
58.42231	2.2
60.70820	2.3
67.05505	72.6
67.51244	2.4
69.07069	54.3
69.84624	15.9
71.05016	2.8
71.08629	5.8
79.05492	45.8
81.03419	90.8
81.07058	63.5
83.04988	21.9
83.08618	13.3
85.06544	4.2
85.10194	4.8
91.05478	30.6
93.07043	53.4
95.04969	49.6
95.08621	26.1
97.06538	7.0
97.10157	9.0
99.08098	6.8
105.07037	25.8
107.04920	2.7
107.08604	31.3
109.06514	6.6
109.10163	21.9
111.08079	5.2
117.07016	4.7
119.08572	12.6
121.09354	2.8
121.10123	13.9
123.08046	4.6
123.11702	8.8
125.09640	11.4
127.07523	2.2
131.08569	5.0
133.10120	25.0
135.08063	8.0
135.11702	11.4
137.09581	3.5
137.13141	3.1
143.08582	2.8
145.10100	3.8
147.11667	15.0
149.13268	8.4
151.11182	60.7
153.09152	7.0
157.10153	5.3
159.11693	5.8
161.09651	4.2
161.13228	12.7
163.14845	5.9
165.12766	15.0
171.11710	4.5
173.13225	2.7
175.11177	3.5
175.14743	5.8
177.12714	4.2
179.14331	6.5
185.13309	4.0
189.12759	5.2
189.42830	2.8
193.12253	3.7
207.13847	6.1
217.19365	2.9
221.15259	2.7
231.21095	14.1
241.19530	7.8
249.09244	3.7
249.22104	7.8
259.20621	8.4
277.21631	100.0
278.21881	3.1
279.10132	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	295.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.5
67.05489	15.9
69.03418	5.1
69.07049	14.8
71.04994	5.0
71.39271	7.7
79.05484	18.1
81.03395	3.9
81.07056	39.9
83.08620	8.9
85.06516	6.8
91.05477	27.6
93.07036	32.1
95.04951	10.1
95.08589	31.9
95.24754	4.0
97.06548	5.4
105.07016	59.1
107.08596	42.3
109.06494	11.2
109.10165	17.4
111.08041	4.5
117.06995	13.3
119.07906	4.4
119.08583	50.4
121.06503	6.3
121.10139	38.6
121.20601	4.9
123.08031	10.8
129.06985	7.8
131.08569	20.6
133.10130	43.4
135.08054	4.6
135.11656	6.5
142.07787	11.2
143.08539	16.5
144.09312	13.1
145.10110	9.8
147.11676	30.1
149.13252	9.5
156.09251	3.8
157.10130	38.6
159.11691	100.0
160.12006	4.7
161.09598	12.0
161.13206	20.7
165.06952	3.7
171.11647	11.2
173.13260	8.3
175.11179	12.2
175.14764	7.2
177.12659	9.0
178.07738	5.9
179.10686	5.1
189.16342	30.3
199.14822	27.6
217.15848	61.2
221.09601	16.0
235.16928	44.8
247.07549	6.3
249.09006	11.2
264.10242	4.2
279.10114	53.6
295.11652	10.5
295.19003	4.2
296.09302	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.71638	3.0
53.03936	6.4
54.47678	2.9
55.01855	6.3
55.05286	3.2
55.05510	28.5
57.03431	5.0
57.07081	4.6
59.39028	2.8
67.05499	67.1
69.03423	3.2
69.06733	3.5
69.07066	26.3
70.26620	11.5
71.08625	48.2
71.91962	2.8
74.43723	3.0
79.05483	58.4
81.03400	9.3
81.07051	58.7
83.04984	19.1
83.08617	17.1
87.36019	2.8
91.05465	26.9
93.07035	73.3
95.04958	12.8
95.08593	46.8
97.06490	8.7
97.10143	9.9
99.08081	40.0
102.01783	2.7
105.07031	21.4
107.04936	6.2
107.08581	37.7
109.06516	5.2
109.10145	23.0
111.08103	4.4
113.09665	3.1
115.01951	2.8
117.07024	6.2
119.08569	14.0
121.10130	36.6
129.06938	3.0
131.08545	6.6
133.10153	15.5
135.11676	43.8
137.09601	5.7
139.11151	4.1
141.09088	3.2
143.08516	3.6
145.10114	6.8
147.11678	7.7
149.13239	12.6
150.07896	2.8
151.11174	18.5
153.12727	3.1
159.11691	5.2
161.13235	6.5
163.11183	9.2
177.12645	4.0
179.14302	100.0
189.11188	5.8
203.38216	3.2
228.39087	3.2
235.16898	7.3
247.07585	4.0
259.20523	4.4
277.21597	51.1
279.10153	11.7
295.22714	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	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
54.03846	3.4
55.05516	17.2
57.03417	4.2
59.58760	3.0
67.05503	25.4
69.03407	4.0
69.07053	14.2
71.04987	9.7
71.64446	6.4
72.97034	3.1
79.05492	33.4
81.03408	3.6
81.07056	70.7
83.04958	13.8
83.08622	7.7
84.08112	3.2
85.02881	5.4
85.06522	8.8
86.01405	3.3
91.05486	34.7
93.07048	38.7
95.04948	14.6
95.08602	29.4
97.06532	9.0
99.04450	7.9
101.06000	4.6
103.05486	5.1
105.07028	83.6
106.07390	4.5
107.08601	36.5
109.06522	8.2
109.10148	20.1
111.04407	7.4
111.08105	3.5
115.05500	3.7
117.06993	16.4
119.08585	43.7
121.06461	4.5
121.10081	17.6
123.08047	7.3
123.11720	4.2
125.09661	3.7
128.06224	10.6
129.06987	14.1
131.08583	26.2
132.23618	3.4
133.06512	7.2
133.09251	4.7
133.10146	35.6
135.08060	6.5
135.11673	10.1
137.09610	6.9
141.06978	5.5
142.07770	16.9
143.08568	29.4
144.09348	7.3
145.10114	11.9
146.07178	3.7
147.08002	4.2
147.11693	18.3
149.09598	10.0
149.13255	5.1
151.07558	5.2
152.30586	3.3
155.08536	4.8
157.10158	29.8
159.11691	81.5
160.12090	3.7
161.09605	12.4
161.13280	33.8
163.03891	6.1
163.07578	4.6
167.10664	6.1
171.11690	8.0
173.13225	7.7
175.14836	4.9
177.12698	12.4
178.07780	9.7
179.10677	10.6
179.14397	4.6
187.14743	7.4
189.16357	14.2
191.08580	3.7
192.51172	3.2
199.14854	15.6
206.07268	5.7
209.09682	3.3
217.15936	36.0
218.07243	4.9
219.08104	10.6
221.05888	4.4
221.09636	27.9
221.15379	6.1
223.07617	5.8
234.06754	9.4
235.16902	29.8
237.11021	4.8
247.07561	12.0
249.09122	22.7
267.10300	4.1
279.10172	100.0
295.10568	7.4
295.13406	9.5
295.18976	5.1
296.09183	8.8
296.12698	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	294.2065
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
52.66417	0.2
53.03935	0.3
55.01864	0.4
55.05507	0.5
57.07062	0.7
57.16300	0.3
66.04713	0.2
67.05486	1.3
69.07057	0.3
69.75193	1.9
71.08614	0.3
75.98669	0.3
78.21014	0.3
79.05490	1.6
80.05799	0.4
81.07057	2.6
83.08616	0.4
91.05473	1.0
93.07046	0.5
94.04169	2.3
94.07323	0.3
95.08606	0.4
97.06544	0.4
98.21414	0.4
103.46233	0.3
105.07027	0.7
107.04979	0.4
107.08575	0.9
108.08922	0.8
109.06473	0.5
116.56358	0.3
119.08550	0.4
121.10129	0.4
122.03644	8.1
123.11718	2.0
131.08557	0.3
134.10480	0.3
137.05969	100.0
138.06313	1.6
145.10141	0.3
157.10077	0.6
158.15451	1.6
159.11696	0.6
170.15367	1.7
175.11255	0.6
193.08900	0.3
217.15875	0.6
236.10718	1.1
264.07535	0.3
264.10251	1.1
276.20343	1.3
294.08044	0.4
294.11234	3.1
294.20782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.69652	0.3
53.03928	0.4
53.64222	0.4
55.01859	0.5
55.42117	0.4
56.05025	0.6
57.03430	0.7
58.87334	0.3
61.02908	0.4
61.22464	0.3
63.62109	0.3
64.39863	0.4
65.03896	0.4
67.00311	0.3
67.05488	0.8
69.03433	2.2
69.07047	1.1
70.06576	1.4
70.98116	1.0
70.98456	0.3
71.04986	0.5
71.59554	0.4
72.08146	1.2
73.58116	0.4
74.02415	0.5
79.05482	1.0
81.03401	1.7
81.07029	1.4
83.04993	0.5
83.08628	0.4
84.04460	0.5
84.08115	1.1
85.02894	2.4
86.09698	7.2
87.04434	0.5
91.05475	26.6
93.07046	0.6
95.04965	0.7
95.08583	0.9
97.02881	1.6
102.05583	0.4
105.07014	1.1
107.04967	1.6
107.08587	0.7
109.02859	3.2
109.06491	0.7
109.10135	0.8
111.04359	0.5
115.03922	0.6
117.03362	1.4
117.07018	0.6
118.06549	1.5
119.04941	17.7
119.08555	0.8
120.08096	0.9
121.06480	2.8
123.08074	0.9
129.10229	0.7
130.08635	0.9
132.10188	1.4
133.04970	0.7
135.04414	3.3
135.08112	0.6
136.07568	100.0
137.06021	0.4
137.07938	0.9
145.02823	1.6
145.04915	0.5
147.04414	2.1
150.07735	3.3
151.03856	0.6
151.07550	0.7
159.11588	0.6
161.05983	0.5
161.10750	3.2
163.03894	13.0
163.07629	0.4
165.06984	1.1
175.03886	0.5
178.07726	1.0
181.08615	0.4
189.05452	0.5
191.08540	0.5
205.08514	0.6
206.07356	0.7
207.08005	0.6
219.08101	0.5
220.05275	0.5
221.05939	1.7
234.06781	1.0
249.05458	0.8
249.09177	0.7
249.15967	1.2
252.07968	0.6
263.07013	0.8
267.06610	0.5
267.10172	1.1
277.08295	0.4
278.13858	1.0
279.10272	0.5
280.07056	0.4
295.05960	2.6
295.09558	3.5
295.16476	9.9
296.09000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18774	0.3
70.06705	0.9
71.64786	0.6
79.05592	0.4
81.07150	0.5
87.75614	0.3
91.05577	0.5
93.07137	0.3
105.07162	1.8
106.07485	2.0
107.08671	0.3
119.08719	0.9
133.10263	1.2
134.10597	1.2
147.11780	0.3
149.02502	0.4
162.10025	0.7
176.06190	7.3
177.06741	0.4
178.07834	0.4
189.07088	0.8
190.07832	1.0
191.08568	2.1
193.08865	0.4
194.07327	1.2
204.05699	20.0
205.06245	1.3
205.08604	0.4
206.07253	0.7
208.08705	0.4
209.09641	0.9
219.08044	59.6
220.08479	2.3
221.06267	0.3
221.08101	0.5
223.11212	0.7
224.08345	0.3
232.05148	0.7
233.05966	0.3
233.08066	0.3
234.06946	0.3
234.09148	0.8
235.07683	0.4
235.09889	0.8
236.08269	1.8
236.10707	3.7
237.09052	0.6
247.07535	100.0
248.07909	4.1
248.10405	0.6
249.09010	1.1
249.11359	0.5
251.06972	0.6
251.10944	1.4
263.06784	0.3
263.09406	0.4
264.10175	1.8
266.11633	1.1
277.08578	56.2
278.08871	2.5
279.06131	0.3
279.09842	2.4
294.11121	16.3
294.20316	0.7
295.06345	0.4
295.09210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19772	0.3
67.56831	0.4
70.95660	0.8
88.24890	0.3
101.13605	0.4
133.09978	0.3
153.06976	0.8
165.06989	11.6
167.08563	1.3
176.06293	0.4
177.06949	0.6
178.07829	0.4
179.08492	0.9
180.08936	1.2
181.06497	0.7
189.07108	0.4
190.07552	1.0
191.08128	2.0
192.08937	0.5
193.06485	7.9
195.08060	0.6
201.09953	0.4
203.08150	0.7
204.08899	1.5
205.06577	0.5
206.06871	1.0
206.10352	0.5
207.07976	0.7
208.08499	2.4
209.05940	1.1
219.07906	2.4
220.08362	2.2
221.05966	7.3
221.09293	0.9
222.06689	1.8
223.07503	17.6
224.07886	0.4
232.08391	2.4
233.05934	6.3
233.09190	1.4
234.01509	0.3
234.06384	1.0
234.09932	1.4
235.07494	3.2
236.07878	10.0
236.10320	0.4
237.05489	0.7
246.06329	1.0
247.07344	3.6
248.07832	4.5
249.05475	6.0
249.08551	1.3
250.05875	0.4
250.09512	1.3
251.07033	18.6
260.07831	4.4
261.05499	9.1
261.08646	1.8
262.06000	1.3
262.09473	3.3
263.06955	3.9
263.10165	5.7
264.07364	26.3
264.10239	0.8
265.04987	0.7
265.08380	0.8
267.06570	1.4
277.08633	1.4
278.09024	4.6
279.06525	100.0
279.09708	24.2
280.06851	3.2
294.08847	84.6
294.12051	49.2
295.09183	2.4
295.12247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01868	9.1
55.05508	9.7
64.46690	3.3
67.05504	22.4
68.05817	3.2
69.07076	16.4
71.63818	5.7
79.05488	21.7
81.07057	61.3
83.04980	3.7
83.08624	6.4
86.73354	2.6
89.63097	2.7
91.05490	24.6
93.07037	33.7
95.04971	15.8
95.08601	45.8
96.08942	3.5
97.06535	13.0
105.07024	47.4
107.04949	4.4
107.08583	38.0
109.06528	14.5
109.10152	14.4
117.07035	5.6
119.08573	30.3
119.09246	3.0
121.10149	27.2
123.08104	6.2
128.06232	13.1
129.07033	14.1
131.08592	12.6
133.10124	18.8
135.08092	4.1
135.11674	7.6
137.09628	4.2
142.07813	11.9
143.08571	53.3
145.10120	8.7
147.08070	3.6
147.11694	12.3
149.09650	4.4
150.09917	3.3
156.09344	6.9
157.10132	54.7
159.11719	13.5
161.09676	5.4
161.13277	5.1
169.10173	6.2
171.11664	21.4
189.12917	3.7
189.16414	11.9
193.08871	4.9
199.12968	4.9
199.14816	100.0
217.15849	61.1
221.08427	7.4
235.17009	7.0
236.10715	27.5
249.08063	9.0
251.09492	5.2
259.16965	11.4
263.20023	5.7
264.10226	16.7
276.20303	12.3
279.09311	3.4
285.30643	3.3
294.07980	4.8
294.11240	57.4
294.21115	16.8
294.28281	3.4
295.11627	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	294.2065
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
55.01867	0.5
55.05495	0.6
57.07061	1.1
63.29239	0.3
67.05482	0.7
68.98227	0.3
69.07056	0.6
71.08617	0.8
77.15182	0.3
79.05479	1.3
80.05819	0.4
81.07064	1.6
83.08630	0.3
88.07608	0.3
91.05484	1.1
93.07035	0.5
94.04177	2.6
95.04930	0.5
95.08581	0.5
105.07021	0.5
106.07362	0.6
107.04928	0.6
107.08578	1.2
108.08897	0.6
109.06463	0.4
110.74648	0.3
116.40164	0.3
122.03633	7.3
127.19580	0.3
132.08888	0.3
137.05966	100.0
138.06354	0.9
140.66164	0.3
141.12718	3.1
146.10558	0.3
158.15398	1.8
170.15385	0.4
193.08832	0.4
219.08160	0.3
221.08255	0.4
236.10643	1.7
249.07623	0.4
264.10349	1.1
265.08496	0.5
276.20395	1.3
279.09061	0.5
294.11197	4.2
294.20993	0.6
295.13242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05492	2.8
57.03424	1.4
59.05003	4.7
67.05505	7.9
69.03418	1.1
69.07063	2.8
69.99355	1.4
69.99769	2.2
71.04981	0.7
79.05498	4.1
81.07053	23.8
82.07378	0.8
85.06535	0.9
87.04439	2.9
91.05466	2.5
93.07046	6.4
95.04964	0.6
95.08604	21.1
96.64463	0.7
97.06536	1.7
97.10133	0.9
105.07030	5.5
107.08580	5.5
109.10159	10.2
111.08055	1.4
115.07552	1.7
119.08582	2.6
121.10130	6.2
123.11714	4.7
125.09656	1.0
131.08580	1.6
133.10135	5.8
135.11685	3.9
137.13243	2.6
145.10153	1.5
147.11667	2.2
149.13232	2.6
151.11182	0.9
154.08594	2.1
159.11647	1.3
161.09618	2.8
161.13249	1.5
163.14792	1.0
165.07042	1.7
169.12227	0.8
175.14851	1.0
178.07826	1.1
179.08542	5.2
187.14874	0.9
189.06987	2.7
189.16463	0.6
190.07791	4.1
191.08531	1.8
191.17963	1.6
193.06444	1.2
201.16324	0.8
202.07790	3.0
202.09579	0.6
203.08505	2.6
204.05701	1.1
204.09396	0.9
205.06528	2.4
205.10156	1.2
206.07278	1.2
207.08037	6.9
208.08546	1.1
215.08650	1.5
217.06699	0.7
217.19579	0.7
218.07260	3.3
219.08041	8.0
220.08667	1.8
221.06015	1.8
221.08426	0.7
223.07516	2.1
231.08076	6.2
232.08835	4.2
233.06030	3.6
233.09570	2.7
235.07542	26.2
236.08015	2.3
236.10725	3.0
245.05971	2.0
246.06792	3.4
247.07530	17.6
248.08292	3.3
249.09204	2.8
251.07047	2.7
251.09441	0.9
257.22601	1.2
259.07516	8.3
260.08331	4.0
261.05716	3.0
261.09116	5.8
262.06708	1.4
262.09903	9.9
263.07040	58.9
263.10172	2.8
264.07379	5.7
264.10318	1.6
275.23721	2.0
276.19540	1.5
277.08597	11.1
278.09384	57.2
279.06528	12.5
279.09686	5.9
293.11722	100.0
293.24518	4.2
294.08765	8.4
294.11725	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03950	1.1
55.05509	10.0
57.07074	1.4
64.56658	0.5
65.03941	2.9
67.05501	94.6
68.05826	0.8
69.07063	10.0
69.40269	1.5
69.40691	3.9
71.04992	0.6
79.05060	1.0
79.05490	14.6
81.07053	100.0
81.91402	0.5
82.07363	0.5
83.04977	0.8
83.08614	6.1
85.06556	2.1
91.05466	6.4
91.06007	0.6
93.07040	14.4
95.04952	1.2
95.08602	75.6
97.06528	2.0
97.10164	1.7
99.08097	1.3
105.07027	4.2
107.08589	10.3
109.06519	1.6
109.10148	31.4
111.08102	1.0
117.07005	2.9
119.08586	3.1
121.10135	9.3
121.77099	0.6
123.08070	1.9
123.11700	15.6
125.09594	0.7
129.09160	0.8
131.08574	6.0
133.10109	2.3
135.08080	1.2
135.11682	6.0
137.09602	1.2
137.13257	8.0
139.11168	0.8
145.10097	4.2
147.11673	2.7
149.09615	1.9
149.13246	5.3
150.16333	0.5
151.11172	1.8
151.14828	4.1
159.11681	4.7
161.13248	2.2
163.11157	2.5
163.14824	3.4
165.12727	1.1
165.16431	1.3
173.13260	6.5
177.12781	2.3
177.16357	2.3
179.14311	1.4
187.14853	3.2
189.05664	0.5
191.14302	2.2
195.13791	0.5
201.16403	0.8
205.15851	1.3
209.15318	1.0
217.19688	0.6
219.21045	1.5
223.16986	1.0
228.44849	0.5
232.26047	0.6
233.22667	1.1
237.18483	0.9
238.17139	0.5
243.21054	5.7
261.22125	5.3
293.24704	10.5
294.11188	0.6
310.62274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	0.8
55.05506	9.2
57.07077	2.4
57.56353	0.6
59.40833	0.7
65.03938	2.3
67.05502	94.6
69.07063	9.6
69.47416	6.7
71.08630	1.0
79.05494	12.5
81.07053	100.0
83.04998	1.3
83.08607	4.8
85.06544	2.3
91.05463	4.3
93.07047	10.4
95.04987	1.2
95.08601	70.3
95.34823	0.6
97.06530	2.3
97.10166	1.9
99.08094	1.4
105.07027	4.0
107.08581	8.1
109.06510	0.8
109.10152	41.8
111.08057	1.1
111.11700	0.8
117.07000	1.7
119.08586	4.2
120.23811	0.6
121.10131	8.8
123.08077	1.7
123.11702	25.9
124.15613	0.6
131.08572	6.1
133.10150	4.0
135.08072	0.9
135.11659	5.6
137.09595	1.8
137.13248	9.3
137.44287	0.7
139.11156	1.0
145.10117	3.8
147.11664	3.1
149.09627	1.4
149.13246	4.1
151.11125	1.0
151.14813	3.5
159.11696	4.0
161.13235	2.9
163.11180	2.1
163.14809	2.1
164.74315	0.8
165.12779	1.2
165.16385	0.6
173.13255	4.5
175.14859	1.0
177.12723	1.8
177.16374	2.1
179.14206	1.1
182.94716	0.6
187.14825	2.7
191.14285	1.7
201.16409	1.0
205.15892	1.4
209.15196	0.9
223.16939	0.8
228.32895	0.7
230.71616	0.7
237.18544	1.1
243.21010	4.7
247.93405	0.7
261.22125	6.8
293.09604	0.7
293.21603	1.3
293.24765	19.5
305.15186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.5
55.01869	10.5
55.05255	2.3
55.05510	35.7
56.22752	1.3
56.32484	1.2
56.96556	1.8
57.03434	3.8
57.07079	7.6
58.96623	1.6
59.04971	1.4
65.03937	2.8
67.05500	44.0
69.03425	3.3
69.07066	38.6
69.40428	3.5
69.40851	10.9
71.04988	2.9
71.08633	3.0
75.01414	1.5
79.05489	40.1
81.03418	6.1
81.07054	100.0
81.16377	1.7
82.07408	2.1
83.04979	6.5
83.08624	22.9
85.06538	8.0
85.10180	2.4
85.68182	1.4
91.04951	2.7
91.05479	29.4
93.07046	37.1
95.04965	13.8
95.08604	66.9
97.06534	14.0
97.10158	14.6
99.08104	4.5
103.05518	1.8
105.07028	33.5
107.04953	9.4
107.08589	44.9
109.06522	16.9
109.10149	39.3
111.08070	5.1
111.11722	2.9
113.09630	1.6
115.05481	2.0
117.07007	10.5
119.07787	1.8
119.08590	21.8
121.06522	6.3
121.10135	17.2
123.04474	1.8
123.08080	8.4
123.11703	17.0
125.09621	9.8
128.06248	2.1
129.06979	4.3
131.04913	1.5
131.08563	15.7
133.10130	20.1
135.08058	5.1
135.11694	11.7
137.09584	8.0
137.13251	4.3
141.07010	3.2
142.07802	2.1
143.08546	4.7
145.06453	2.0
145.10101	17.7
147.11691	14.9
149.09608	13.5
149.13292	7.2
151.11153	6.6
151.14825	5.4
154.07809	1.5
155.08536	3.9
157.10147	6.8
159.08066	2.3
159.11670	12.8
161.09627	4.9
161.13298	7.0
163.11176	10.8
163.14847	3.7
165.07037	2.4
165.09135	5.1
165.12805	2.2
165.16423	2.5
167.08542	4.2
169.10127	6.5
171.11661	4.7
173.09593	3.8
173.13239	5.0
175.11171	3.5
177.12778	2.5
179.03383	1.5
179.08669	2.4
182.10892	2.1
183.08011	1.5
183.11714	1.8
185.13261	1.5
187.11220	3.7
187.14836	4.4
189.11232	4.2
189.12802	2.5
190.07660	1.9
191.14304	1.6
193.12300	1.5
197.13283	4.3
201.12946	1.6
203.08641	2.1
205.06631	1.6
205.12117	1.8
205.19589	2.3
207.08083	4.4
209.09731	2.3
211.11333	1.9
215.06435	1.6
215.10648	1.6
215.14352	13.0
219.08051	2.4
219.13708	2.1
229.19572	4.8
231.08000	1.5
233.05754	1.6
233.09560	1.9
233.15356	3.7
235.07581	8.0
235.11255	2.8
236.10815	4.6
237.09085	4.4
237.12762	1.8
239.17891	4.5
246.10493	1.8
247.07545	4.6
247.20598	7.1
250.21933	1.5
251.10869	1.8
257.18967	8.3
263.06982	7.5
264.10999	3.0
265.12198	2.3
275.20053	70.2
276.20306	2.4
277.08585	4.1
278.09424	9.0
293.11630	20.2
293.15350	19.5
293.18118	1.6
293.21014	25.0
293.28339	12.7
294.11353	10.0
294.15759	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03922	7.0
55.01871	69.9
55.05506	72.1
57.03433	6.3
57.07056	16.1
59.79199	5.8
67.05504	72.2
69.07059	37.2
70.07454	4.9
70.08474	20.0
71.04976	7.2
71.08640	6.4
79.05492	59.4
79.51183	5.3
81.03428	23.1
81.07045	76.4
83.04980	25.4
83.08598	20.9
85.06536	11.9
91.05485	53.0
93.07040	60.6
95.04980	58.9
95.08614	54.0
97.06522	15.7
97.10165	16.5
105.07034	44.0
107.04938	35.9
107.08585	35.5
109.06531	20.9
109.10156	29.3
111.04445	17.1
111.08073	6.5
117.07005	18.7
119.08563	28.8
121.06466	12.3
121.10112	26.0
123.08041	20.7
123.11678	6.9
125.09629	79.5
127.07533	5.1
129.06987	9.2
131.08594	27.1
133.06422	5.8
133.10121	24.1
135.08015	17.2
135.11690	11.7
137.09584	24.2
143.08527	11.1
145.10127	16.8
147.11702	11.5
149.09610	27.3
151.11180	31.6
153.05383	8.1
153.09232	5.7
157.10120	10.5
159.11716	15.0
161.13266	12.0
163.11195	17.8
165.12790	9.3
173.09557	9.7
173.13269	5.3
177.09116	6.1
177.12738	20.3
181.06448	23.9
181.12225	8.1
183.08018	5.9
185.13329	5.4
187.11159	6.6
191.14296	7.4
204.24245	5.4
207.08008	9.0
209.11732	21.4
215.14398	5.6
218.07100	5.7
219.08113	6.5
235.07443	7.7
236.10576	23.9
237.11136	8.4
247.20619	6.8
257.19016	16.4
263.06961	15.6
264.10150	18.1
275.14090	10.2
275.20111	70.0
278.09360	9.1
279.08887	5.5
291.33340	5.1
293.11484	21.0
293.15414	25.0
293.21161	100.0
294.08075	11.5
294.11224	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03923	3.2
55.01859	9.8
55.05260	4.2
55.05511	55.5
67.05508	37.2
69.03456	2.6
69.07057	11.1
70.75404	10.7
72.31918	3.1
74.84419	2.4
78.50034	2.2
79.05493	80.6
81.07062	29.4
83.04964	9.8
83.08630	18.4
91.05484	23.2
93.07046	31.5
93.98522	2.9
95.04958	9.7
95.08597	9.2
97.06512	6.6
97.10166	34.6
105.07025	29.9
107.04950	45.2
107.08598	64.3
109.06500	4.5
109.10155	17.6
111.08096	4.5
117.07013	12.2
119.08565	18.9
121.10152	16.1
123.11688	8.1
125.09608	32.2
127.98992	3.0
131.08575	9.8
133.10152	20.1
134.34476	2.5
135.08044	9.1
145.10135	7.9
147.11679	14.1
149.09615	93.8
153.09097	5.8
159.11690	8.9
161.13222	7.8
167.10703	3.5
169.12280	4.4
173.11865	4.3
173.13283	4.6
187.13255	3.4
189.11232	30.2
229.19548	9.9
247.20587	6.3
257.19043	23.5
275.20062	100.0
276.20306	4.0
293.21124	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03920	0.3
55.01868	1.5
55.05264	0.3
55.05508	3.4
57.03410	0.4
57.07073	1.6
65.03912	0.3
67.05503	3.6
69.07063	2.5
70.75998	0.7
71.04971	0.5
71.08624	1.3
79.05488	3.7
81.03416	0.9
81.07052	3.8
83.04964	0.8
83.08612	1.0
85.06547	0.2
87.54537	0.3
87.81407	0.2
91.05476	2.2
93.07043	3.1
94.26772	0.2
95.04961	5.8
95.08592	2.2
95.39665	0.3
97.06535	0.3
97.10160	0.7
99.08073	0.6
105.07034	2.0
107.04951	3.9
107.08573	1.5
108.05736	2.0
109.06504	2.5
109.10136	0.9
111.04434	0.6
117.07009	0.9
119.08538	0.9
119.69734	0.2
120.08905	0.3
121.06498	6.5
121.10134	0.9
123.08061	0.7
125.09584	0.8
131.08563	0.7
133.10121	0.5
135.08060	0.9
135.11664	0.3
137.09605	0.3
143.08574	0.3
145.10095	0.6
147.11664	0.5
149.09602	1.1
151.11171	1.9
153.05444	0.4
156.30408	0.2
157.10062	0.3
159.11661	0.5
163.11194	0.6
164.11951	1.6
165.12708	1.1
167.10641	0.3
177.12755	1.0
181.04951	0.9
191.10640	0.6
191.14243	0.5
209.11670	1.5
209.15382	0.2
219.13730	0.3
222.92712	0.2
223.13297	0.6
236.10727	0.5
237.11209	2.3
237.14848	0.8
247.07407	0.2
249.07903	0.2
257.19012	0.3
263.07034	0.8
264.10156	0.3
275.20026	2.3
278.09390	0.4
293.21091	100.0
294.11084	1.4
294.21439	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03950	28.7
55.01873	38.3
55.02093	7.9
55.05506	32.1
57.07051	7.2
66.22478	5.3
67.05499	66.8
69.07064	56.2
70.95623	14.8
71.08603	5.4
73.32766	5.4
79.05483	65.6
81.03413	58.6
81.07053	97.2
83.04968	19.6
83.08587	16.6
84.56293	6.1
91.05472	72.1
93.07047	58.6
95.01274	5.6
95.04974	34.3
95.08600	61.1
96.90933	5.4
97.06537	32.4
97.10138	7.1
105.07018	100.0
107.04946	31.4
107.08598	36.8
109.06501	16.4
109.10146	16.6
110.95126	5.3
111.08072	7.1
117.06989	20.7
119.08562	44.2
121.06476	12.1
121.10124	18.2
123.08035	13.5
125.09605	12.1
129.06963	8.8
131.08575	27.1
133.10110	56.2
135.08000	6.3
135.11674	14.9
137.09612	7.9
143.08507	7.5
145.06494	9.3
145.10080	19.7
147.11670	17.6
149.09641	11.8
149.13252	7.0
151.11169	18.8
157.10065	6.3
159.11690	28.6
161.13304	11.9
163.11125	10.4
163.15042	5.8
169.10057	8.5
171.11609	6.0
173.13268	6.0
177.12662	12.8
179.14227	13.3
187.11195	15.4
197.13333	6.7
236.10535	7.6
237.11340	7.4
240.14415	5.8
247.20537	6.5
257.18909	13.3
263.07047	6.7
275.20004	76.8
278.09247	13.8
293.11554	17.0
293.21106	72.8
294.11337	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	1.1
55.01867	4.2
55.05262	0.9
55.05509	11.9
57.03428	1.4
57.07066	2.7
64.87157	0.7
65.03941	1.4
66.60947	0.9
67.05502	24.9
69.03405	1.2
69.06715	1.6
69.07062	20.5
70.86427	1.7
71.04977	2.3
79.05486	16.1
81.03415	1.9
81.06574	1.5
81.07053	29.5
83.04993	6.8
83.08620	4.6
85.06533	1.9
91.05474	16.6
93.07043	24.2
95.04958	8.8
95.08607	16.6
97.06517	3.7
97.10153	2.9
97.53655	0.8
105.07026	23.3
107.04944	7.9
107.08591	13.3
109.06516	9.4
109.10149	7.8
111.08075	2.0
117.07013	6.0
119.08567	11.2
121.06516	8.5
121.10123	7.3
123.08062	4.8
123.11687	4.1
123.62498	0.9
125.09634	0.9
129.07022	2.0
131.08559	12.2
133.06467	2.5
133.10135	17.9
135.08020	3.8
135.11696	4.9
137.06021	0.8
137.09613	2.1
141.07011	1.2
142.07802	0.9
143.08553	3.6
145.06482	1.7
145.10130	9.4
147.08038	2.4
147.11685	10.8
149.09616	5.1
149.13245	2.0
151.11168	5.9
155.08542	1.5
157.10127	2.7
158.72037	0.9
159.08044	2.9
159.11682	6.0
161.09589	2.2
161.13203	2.9
163.11156	4.0
169.10222	0.9
171.11734	1.5
173.09627	2.1
173.13277	3.7
175.11172	2.6
175.14760	0.8
177.12770	1.5
183.11688	2.8
185.13177	1.3
187.11118	2.5
191.14314	3.4
197.13208	1.3
201.12762	2.9
205.19595	1.0
207.13818	3.5
209.28362	0.9
215.14345	1.2
215.18030	1.5
219.13753	5.8
222.06889	1.0
229.19398	2.0
239.17993	2.6
247.20589	3.0
257.18997	13.2
275.20047	100.0
276.20370	3.5
278.09390	1.0
293.11642	1.8
293.21136	26.3
294.11536	1.0
294.21524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.65792	2.3
53.03949	3.6
53.12555	2.4
55.01862	7.5
55.05511	24.5
55.75446	2.2
57.03436	5.7
57.07079	2.8
67.05501	46.4
69.03438	3.4
69.07066	26.4
70.08806	10.5
71.04962	4.2
78.20175	2.4
79.05492	45.7
81.03417	7.5
81.07054	100.0
83.04973	7.2
83.08619	18.3
90.09137	2.6
91.05473	34.1
93.07046	33.8
95.04970	22.1
95.08611	34.9
97.06519	12.3
97.10168	5.6
105.07028	45.1
107.04949	9.8
107.08610	25.7
108.57813	2.5
109.06509	28.7
109.10141	17.0
111.08083	9.0
117.06999	10.1
119.08577	37.0
121.06532	7.6
121.10153	16.4
123.08072	14.3
123.11684	6.2
125.09632	5.1
129.07036	5.3
131.08591	15.2
133.06543	2.8
133.10126	26.0
135.08073	5.6
135.11719	7.5
137.06007	3.4
137.09558	12.1
145.10088	16.2
147.11661	19.5
149.09583	11.9
149.13266	2.9
151.11157	5.2
157.10162	4.1
159.11679	13.0
161.09630	2.4
161.13332	3.9
163.11179	8.2
163.14885	3.4
165.12851	4.5
171.11736	4.0
173.13268	7.3
175.11136	5.1
177.12825	4.7
189.11159	2.9
229.19569	3.3
239.17966	5.5
247.20593	7.6
257.19034	9.5
263.07147	3.6
275.20084	70.5
281.67456	2.7
293.21109	33.8
294.11295	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.37974	2.7
53.03943	2.5
55.01870	9.5
55.05262	4.3
55.05514	51.2
57.03439	4.2
57.07061	4.1
59.05027	2.9
62.81980	2.2
65.03939	2.9
65.20110	2.2
67.05505	44.3
69.03424	5.0
69.07072	26.5
69.55923	14.3
69.56338	7.7
71.05006	4.0
79.05494	59.8
81.03406	8.3
81.07059	39.8
83.04989	11.6
83.08627	25.2
85.06574	4.7
91.05481	40.4
93.07048	39.4
95.04973	22.2
95.08609	36.4
96.18433	2.4
97.06546	13.5
97.10178	29.8
105.07033	42.5
107.04958	7.6
107.07864	4.7
107.08594	100.0
107.09299	5.7
108.08932	3.4
109.06516	9.2
109.10160	18.4
111.08096	4.6
117.07039	9.2
119.08591	27.9
119.94889	2.3
121.06509	5.2
121.10151	21.6
123.08090	6.1
123.11713	3.3
125.09636	25.1
129.07039	3.9
131.08592	18.2
133.10120	26.8
135.08096	8.3
135.11708	8.1
137.06029	3.6
137.09653	14.1
139.11159	8.1
141.07043	3.0
143.08551	5.4
145.10092	21.6
147.11694	15.6
149.09628	21.8
151.11212	5.3
155.08519	3.7
157.10155	6.2
159.11722	15.0
161.13274	6.8
163.11230	8.5
166.94107	2.5
169.10153	5.2
171.11716	4.7
173.13280	8.4
175.11284	3.2
181.10197	3.1
183.11726	4.5
189.11240	14.6
193.12119	2.7
195.11749	3.0
197.13298	6.6
203.12724	5.6
209.13313	6.3
211.14958	4.3
217.18370	2.5
223.15007	4.4
229.19653	3.6
236.10663	3.4
237.16434	6.3
239.18062	7.4
257.18961	15.8
275.20090	96.8
276.20575	3.7
293.15610	4.8
293.18378	5.1
293.22351	23.3
294.11337	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35750	1.9
55.05496	8.2
57.03442	2.4
61.02917	4.6
62.15815	1.8
67.05505	12.5
69.07056	8.6
70.57808	4.6
72.89181	2.2
73.02914	9.5
79.05490	17.1
81.03410	2.4
81.07053	34.7
83.04991	4.8
91.05488	17.1
92.17542	2.0
92.70680	2.2
93.07043	20.0
95.04945	6.7
95.08607	36.4
97.06512	4.3
101.06029	3.1
103.05482	2.2
105.07029	50.6
107.08587	35.7
109.06532	4.8
109.10142	8.0
111.04442	2.0
111.08061	2.9
115.03908	6.0
115.05453	4.6
117.07017	13.6
119.08591	21.5
121.06480	2.6
121.10149	13.9
128.06248	3.9
129.07007	6.3
130.07771	4.0
130.47441	1.8
131.08560	27.1
133.04916	3.8
133.06490	2.9
133.10135	16.7
135.08029	5.5
135.11667	4.2
136.85806	2.0
141.06920	3.4
142.07730	4.6
143.08554	13.8
144.09348	5.5
145.10104	35.2
147.11685	5.1
149.09720	3.0
149.13248	2.9
154.07678	3.3
155.08546	24.1
156.09293	5.6
157.10130	15.1
159.08034	9.3
159.11678	30.3
161.09601	4.6
161.13240	14.5
165.07063	4.0
167.08565	10.5
169.10106	12.4
171.11726	6.9
173.09625	12.4
173.13269	4.6
177.12665	2.4
179.08556	4.2
181.10120	2.3
182.10863	11.8
185.13144	9.3
187.14827	20.2
194.07143	2.3
197.13251	25.5
203.08611	2.8
207.08061	6.2
209.09604	2.9
215.14310	100.0
219.07903	4.1
221.09721	4.1
223.11162	3.4
224.24628	2.0
233.06018	2.6
233.15340	28.0
235.07550	15.1
237.09004	2.5
243.27742	2.0
247.07501	6.5
249.09256	4.0
259.07513	2.7
262.09866	3.0
263.06992	10.9
264.11478	4.7
265.15744	2.4
275.16531	2.8
277.08633	4.1
278.09399	15.4
279.06387	3.2
293.08176	4.3
293.11606	29.7
293.15225	25.6
293.17551	26.6
294.08524	4.7
294.11496	7.2
294.15445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.29854	0.8
51.84646	0.9
53.03951	1.6
55.01884	5.4
55.05508	16.3
57.03436	1.2
57.07068	2.6
57.81496	0.8
58.06314	0.9
65.03939	1.3
66.46084	0.8
67.05500	29.0
69.03431	1.7
69.07066	28.9
69.15239	0.9
69.93512	5.7
71.04986	2.8
79.05489	20.6
81.03416	3.0
81.07056	36.5
83.04973	8.1
83.08613	4.7
85.06532	2.1
91.05476	23.2
92.05760	1.3
93.07033	27.2
94.07402	1.1
95.04961	11.1
95.08598	22.1
96.08922	1.0
97.06525	5.3
97.10168	3.4
98.21467	1.6
98.97598	1.4
100.79153	1.0
103.05437	1.1
105.07028	29.5
105.07749	1.5
106.07346	1.5
107.04956	8.7
107.08591	18.3
109.06516	12.0
109.10151	10.4
111.08073	2.1
116.98606	1.0
117.07003	7.9
119.07734	0.9
119.08568	14.9
120.08910	1.1
121.06501	12.8
121.10126	8.6
121.10913	1.3
123.08060	6.3
123.11720	3.3
125.09628	2.1
127.07516	0.9
129.07039	1.2
131.08569	14.3
133.06514	3.6
133.10115	19.3
134.99651	1.3
135.08060	5.5
135.11671	5.2
137.09631	2.9
141.06940	1.5
142.07816	0.9
142.14130	1.1
143.08591	2.7
145.06503	1.7
145.10129	13.8
147.08054	3.4
147.11699	14.0
149.09560	4.9
149.13258	2.7
151.11186	7.7
155.08568	2.3
157.10147	3.6
159.08093	1.7
159.11678	6.1
161.09636	4.2
161.13289	3.5
163.11163	5.2
169.10156	1.7
171.11642	1.8
173.09644	2.7
173.13306	5.1
175.11226	2.6
177.12796	2.6
183.11626	2.1
185.13249	1.9
187.11185	2.4
187.14816	1.2
191.14285	2.5
194.30797	1.0
197.13257	1.5
201.12807	3.3
203.14355	1.3
207.13852	3.1
215.14339	1.7
215.17972	1.8
219.13847	4.6
221.15155	0.9
229.19534	2.3
231.17464	1.8
233.19032	1.8
236.10674	2.2
237.14745	1.2
239.17972	3.2
247.20563	3.6
249.07874	1.2
257.18964	15.5
258.19244	1.0
263.07056	2.7
264.10098	1.7
265.21622	1.5
275.20059	100.0
276.20416	3.3
278.09348	2.6
293.12057	6.2
293.21014	29.2
294.11182	6.6
296.05066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01845	2.8
55.05490	6.9
56.96543	2.7
58.64091	2.4
65.03925	4.5
67.05512	15.9
67.05803	4.0
69.03403	2.9
69.07037	5.5
70.24403	4.5
70.24821	6.6
71.04955	3.1
74.85769	2.2
79.05482	23.1
81.07048	54.6
82.59572	2.3
83.04969	5.5
83.08540	2.8
91.04958	3.5
91.05473	47.2
93.07037	41.3
95.04970	19.0
95.08605	25.4
97.06519	5.4
103.05464	3.4
105.07026	65.6
107.04923	4.3
107.08589	28.4
109.06490	9.1
109.10132	5.1
110.66623	2.3
111.04502	2.6
115.05405	7.1
117.07006	31.3
119.08574	32.7
121.06500	12.0
121.10134	7.9
123.08051	2.3
128.06184	8.3
129.07022	22.1
131.08557	39.4
133.06458	8.3
133.10124	21.5
135.07971	7.0
135.11705	13.7
141.07004	20.8
142.07739	9.2
143.08556	32.0
144.09341	3.1
145.06482	4.0
145.10100	27.8
147.08049	7.0
147.11629	5.4
153.07030	11.2
154.07736	13.1
155.08549	50.6
156.09325	6.1
157.10127	19.6
159.08073	5.6
159.11673	20.4
161.09621	3.7
161.13243	3.1
167.08542	15.6
168.09285	5.4
169.10110	27.2
171.11652	9.9
173.09550	7.8
173.13287	3.1
175.11162	9.2
177.12741	5.5
181.09981	2.3
182.10881	10.0
185.13219	8.5
187.11197	2.7
187.14799	24.7
197.13220	35.6
207.08105	2.2
211.07678	2.4
215.14305	56.7
220.07175	3.3
221.07828	2.9
233.15445	12.0
248.06960	7.2
249.07382	41.2
250.08009	3.1
261.07532	7.0
263.06961	4.8
264.06119	3.1
275.16449	6.1
277.06888	24.4
278.07620	42.0
279.05164	5.1
293.09940	100.0
293.17410	8.8
294.07513	5.6
294.10562	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	293.1745
Annotation	9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
Peak:m/z	Relative Intensity
53.03933	1.5
55.01834	0.9
55.05506	4.5
57.03420	0.8
61.02908	0.9
65.03921	1.3
65.85628	0.7
67.05504	9.7
67.56785	0.6
69.03415	1.7
69.07034	2.9
70.92409	2.3
71.04979	1.2
73.02900	1.8
74.24390	0.7
79.05067	0.9
79.05492	14.3
81.03404	1.2
81.07054	20.5
83.04951	2.4
83.08566	1.1
91.05475	17.0
93.07029	15.4
95.04972	5.5
95.08601	14.6
97.06526	3.5
99.04439	1.2
103.05450	1.3
103.24707	0.8
105.07024	30.1
107.04943	2.1
107.08588	21.9
109.06532	5.6
109.10147	4.9
111.04427	1.6
115.03915	6.9
115.05441	1.5
116.06236	1.2
117.07004	10.6
117.93973	0.7
119.07783	1.4
119.08576	19.9
121.06468	3.9
121.10126	6.1
123.08050	4.5
123.11658	2.2
125.06007	1.7
128.06215	2.1
129.07007	5.0
130.07751	2.8
131.08566	21.2
133.04942	1.0
133.06451	2.1
133.10120	10.9
135.08046	4.4
135.11726	3.6
137.05991	1.0
137.09607	1.9
141.06955	3.0
142.07768	2.3
143.08566	6.5
144.09274	2.3
145.06502	3.7
145.10127	31.2
146.10922	1.0
147.08049	5.1
147.10799	0.8
147.11705	8.4
149.09526	1.4
149.13239	1.0
153.06993	1.6
153.09108	1.3
154.07715	0.9
155.08551	10.1
156.09322	3.1
157.10126	11.6
158.10890	1.1
159.08064	9.9
159.11688	18.6
160.08897	1.0
161.09637	1.5
161.13264	9.0
163.11151	1.2
163.14841	1.0
167.08559	2.1
168.09341	0.9
169.10132	5.5
171.11716	3.7
172.12486	1.2
173.09627	13.5
173.13254	4.7
175.11179	11.8
177.09161	1.7
177.12697	1.3
182.10921	4.6
185.13182	2.2
186.10358	0.8
187.14822	43.3
188.15063	0.9
191.14372	2.0
197.13242	11.1
200.12025	1.2
203.14268	1.6
205.15848	2.2
215.14310	100.0
216.14661	1.7
233.15355	44.5
234.15709	1.1
235.06856	0.9
235.13269	2.8
251.16502	1.8
263.07104	0.9
267.93933	0.9
275.16504	3.6
278.09320	1.3
293.17480	74.8
294.11380	0.9
294.17877	1.8
298.82275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1745
Annotation	9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
Peak:m/z	Relative Intensity
50.81733	3.5
55.01868	5.9
55.05496	14.1
56.96560	5.2
57.07077	7.6
67.05508	31.8
67.44215	3.4
69.03414	7.4
69.07059	16.7
69.69998	13.9
69.70428	14.3
71.04974	4.3
79.05482	31.1
81.03426	4.9
81.07058	57.0
83.04961	8.0
83.08627	8.8
85.06550	6.3
91.05484	39.4
93.07056	37.5
95.04983	26.7
95.08600	39.7
97.06526	12.4
97.10176	6.2
99.08088	6.1
105.07028	52.2
106.09335	3.5
107.04940	6.3
107.08585	45.8
109.06505	13.5
109.10148	26.4
111.08064	6.6
117.07022	20.3
119.07809	4.7
119.08591	59.8
121.06508	13.0
121.10149	16.2
123.08057	9.0
123.11658	5.7
125.09666	3.8
128.06175	5.8
129.07002	12.1
130.07800	4.3
131.08559	40.0
133.06512	7.0
133.10130	29.5
135.08029	12.7
135.11711	9.0
137.05960	6.6
137.09634	4.7
141.06963	8.1
142.07753	11.8
143.08551	16.3
145.06462	9.4
145.10129	61.2
147.07990	4.4
147.11696	18.7
149.09622	12.7
149.13287	4.7
149.42421	3.9
151.11125	7.5
152.94530	3.8
153.06944	3.7
155.08582	19.6
156.09343	6.1
157.10107	36.7
159.08078	26.0
159.11713	46.9
161.09654	6.5
161.13248	4.8
163.11171	7.4
167.08488	10.5
169.10109	12.1
171.11670	4.7
173.09612	17.1
173.13342	12.6
175.11201	26.7
177.05495	4.1
177.09070	6.9
181.06516	4.7
182.10910	13.2
185.13260	8.2
187.11183	4.2
187.14903	37.6
189.12712	8.5
197.13264	29.2
205.15955	7.1
215.14316	77.5
233.15399	100.0
235.07582	10.3
236.10722	15.5
243.25127	4.2
247.07613	7.7
263.07016	22.7
264.07437	3.9
264.10245	9.5
275.16711	8.4
275.20041	19.6
278.09412	21.9
293.12100	41.1
293.17468	21.7
293.21075	17.7
293.24615	4.1
293.27814	16.1
294.11292	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	293.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95431	0.4
53.20293	0.4
55.05513	0.6
58.07270	0.4
58.18318	0.4
66.65248	0.5
69.03418	1.4
71.04971	0.5
71.18459	0.4
71.63654	0.9
78.64819	0.4
79.05470	1.8
81.07053	0.9
83.65072	0.4
87.04428	0.9
91.05486	6.6
93.07030	1.9
95.08596	1.2
97.06522	0.6
100.72259	0.6
103.05439	0.9
105.07027	35.9
107.04977	0.7
119.04919	1.0
119.08598	2.3
121.06534	0.8
128.06206	1.0
131.08577	2.3
133.06490	1.2
133.10124	38.9
134.10434	0.6
143.08528	1.6
146.07253	1.2
155.07024	2.1
161.09615	27.1
163.11205	0.8
165.06972	1.3
171.08037	1.6
177.06961	0.6
178.07800	1.2
179.08492	3.8
181.06621	0.5
189.06999	1.4
189.09076	7.0
190.07799	4.6
191.08551	1.5
192.09372	0.6
193.06520	0.8
194.87135	0.5
202.07790	2.4
203.08522	2.6
204.05750	0.9
205.06503	2.4
205.10089	1.5
206.07219	1.5
207.08014	6.4
207.10144	2.4
218.07315	3.6
219.08066	5.9
220.08810	1.8
221.06023	0.8
221.08247	0.6
223.07408	0.7
231.08038	4.7
232.08751	4.2
233.06020	2.3
233.09558	2.3
234.06766	0.6
234.10374	0.6
235.07535	25.8
236.07973	2.0
236.10646	1.8
245.05937	1.7
246.06775	2.5
247.07532	14.7
247.13148	0.6
248.08328	2.8
249.09135	3.0
251.06950	1.1
259.07513	8.2
260.08264	3.5
261.05652	3.0
261.09091	5.8
262.06314	1.7
262.09885	13.5
263.07031	60.1
264.07330	2.5
264.10077	1.0
265.14359	1.7
275.12790	1.2
277.08652	9.6
278.09372	53.5
279.06458	5.6
279.09564	2.3
282.70023	0.5
293.11639	100.0
294.08685	3.3
294.11569	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	293.1169
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
50.40683	0.3
51.82034	0.3
53.33394	0.3
59.23714	0.3
70.30649	0.3
70.35155	1.0
72.92970	0.3
75.54774	0.3
77.64198	0.3
92.76748	0.3
96.42340	0.3
98.20898	0.3
105.07031	0.4
117.91846	0.3
131.08540	0.4
165.07027	0.4
178.07799	1.1
179.08562	2.9
189.06985	1.7
190.07739	3.6
191.08551	0.7
202.07820	1.7
203.08566	2.5
204.09180	0.4
205.06601	1.6
205.10124	1.4
206.07204	0.8
207.08020	5.1
215.08708	0.5
217.06560	0.5
218.07248	3.0
219.08022	3.5
220.08850	2.1
221.06038	0.4
231.08022	4.6
232.08798	3.3
233.05994	2.1
233.09564	2.3
233.15425	0.6
234.06877	0.5
234.10245	0.4
235.07524	19.1
235.11183	0.6
236.08145	1.2
243.08058	0.4
245.05983	1.2
246.06760	2.5
246.43449	0.3
247.07549	9.8
248.08305	3.0
249.09047	2.9
250.09720	0.4
259.04974	0.6
259.07541	7.3
260.08319	3.1
261.05795	1.6
261.09079	4.9
262.06384	1.1
262.09869	10.6
263.07031	49.0
263.10205	1.7
264.07443	1.1
275.16388	0.7
275.19339	0.3
277.05670	0.6
277.08585	7.0
278.09366	51.3
279.09705	1.4
293.11707	100.0
294.12030	2.4
309.10214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35545	2.9
69.62376	26.2
86.23215	3.6
101.00864	5.0
109.06575	3.8
119.01904	8.4
143.01865	11.0
145.03441	9.2
161.02968	15.5
171.87128	3.3
173.02972	9.8
175.04539	4.3
191.03952	6.6
195.61548	4.2
203.03954	7.4
219.08076	3.8
226.24301	3.7
233.05064	4.7
251.04262	3.9
271.38150	3.4
293.06342	100.0
293.09244	24.1
308.69543	3.3
309.25143	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	293.1166
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
53.03942	1.1
55.01868	4.8
55.05489	2.0
60.04510	2.8
61.01150	14.8
65.03899	0.7
67.05490	2.0
69.03416	1.2
69.07027	0.9
70.02946	0.9
70.06577	2.6
71.04987	2.3
71.06110	1.1
71.63213	1.4
72.04515	15.9
73.02898	2.9
73.99411	0.7
78.03791	31.9
79.05484	1.0
81.03436	3.9
81.07038	3.0
82.84916	0.7
83.04965	2.9
84.08143	1.9
85.02903	23.5
86.06062	5.1
86.09700	1.0
91.05471	2.9
93.07034	1.6
95.04984	1.1
95.08604	2.3
98.02405	1.1
98.06025	1.5
99.04458	15.2
102.03767	48.7
103.02140	2.1
103.03945	35.8
104.01704	1.9
105.07005	2.1
107.08591	1.4
109.02887	7.0
109.10178	1.4
109.11116	0.8
110.06028	1.0
112.07616	1.3
114.03751	5.0
114.05530	2.6
115.02134	1.0
115.08686	1.6
118.03237	1.6
119.08606	1.3
120.04813	9.6
120.08080	1.2
124.07541	1.3
126.05515	37.1
127.03926	12.9
129.10185	1.0
131.04912	1.1
131.06387	21.9
131.07375	1.1
131.08517	0.7
132.04799	18.3
133.10094	1.8
135.08105	0.8
136.07550	1.1
136.73033	0.8
137.09529	0.8
141.06560	1.1
145.04967	1.3
145.06558	1.0
147.05862	2.5
149.07439	100.0
150.07828	1.2
152.07048	3.8
154.08636	5.1
156.06544	1.7
158.02742	2.3
169.06432	0.9
175.05339	5.2
177.47404	0.8
180.06551	28.5
181.06972	1.1
186.05760	1.0
191.08521	1.1
198.07623	9.2
215.07262	0.8
215.14287	0.9
216.08675	5.7
222.07825	1.0
230.11699	0.8
231.11717	7.0
233.09662	1.5
233.15419	1.3
244.07567	9.8
245.06073	1.0
245.08368	1.1
257.09546	3.7
262.06339	1.4
262.08655	5.0
275.10571	4.5
275.20074	0.9
277.08578	5.3
278.05682	0.9
293.11667	75.5
294.08145	1.1
294.11310	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	292.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.0
55.79247	3.8
56.05846	5.1
66.25081	2.9
67.05492	12.9
69.07046	4.4
70.27828	15.5
71.04989	3.3
71.41802	3.0
78.47377	2.9
79.05486	12.0
80.05815	6.7
81.07063	15.4
81.07463	3.0
82.07362	7.5
83.04977	10.0
85.06550	4.1
91.05476	21.2
92.05818	12.2
93.07041	15.0
94.07377	11.9
95.04985	12.0
95.08603	11.6
96.08939	7.0
97.06561	4.4
97.68851	3.0
105.07033	21.1
106.07365	16.7
107.04973	4.2
107.08601	9.4
108.05341	4.8
108.08944	9.4
109.10126	4.1
111.08066	5.8
117.07008	8.3
118.07339	11.6
119.08602	17.4
120.08931	14.3
121.06501	4.8
121.10146	4.2
123.08067	7.7
128.06221	9.8
129.06615	10.1
130.07307	15.4
131.08510	9.6
132.08905	14.3
133.10101	7.9
134.10466	12.5
135.08104	4.4
136.08415	3.2
141.06961	6.3
142.07745	4.2
142.20050	3.2
143.08476	20.2
144.08890	33.3
145.06351	4.0
145.10089	13.7
146.10489	15.2
147.08005	4.9
148.08415	7.5
148.11920	5.5
151.07561	11.5
152.07858	11.2
155.08551	7.1
156.08923	13.3
157.10056	13.4
158.10425	27.8
159.11673	9.6
160.08371	6.9
160.12038	24.3
161.09644	4.4
162.10045	4.9
166.07368	8.4
170.10637	3.5
171.11363	5.7
172.08412	5.7
172.12025	12.9
173.09604	8.4
174.10004	9.3
176.11446	4.7
181.09671	3.9
183.07982	3.7
184.12067	7.5
185.13284	9.6
186.13603	39.1
187.11186	4.4
188.11536	3.9
190.02803	3.7
190.13066	10.4
192.14532	4.4
196.12021	11.6
204.14706	11.9
207.13789	4.6
208.14229	10.4
214.13097	22.0
231.13771	7.3
232.14160	57.7
234.15752	6.8
248.07109	41.9
249.07751	9.1
250.15187	14.4
260.07013	5.1
274.15128	5.0
276.06537	22.6
277.07312	46.1
292.06833	3.7
292.09683	100.0
292.16168	20.3
292.19717	12.3
293.11478	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	292.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.0
53.03939	6.8
55.05499	19.5
56.05833	8.2
57.07079	5.0
67.05502	44.7
68.05832	14.2
69.07057	18.4
70.07391	4.2
70.32816	4.2
79.05489	68.0
80.05815	30.7
81.07051	52.9
82.07395	24.4
83.08615	14.9
84.08951	5.7
91.05470	31.4
92.05798	18.6
93.07046	100.0
94.07380	55.6
95.04980	7.7
95.08603	37.5
96.08931	20.7
97.10185	6.0
98.20681	10.3
105.07030	20.1
106.07362	16.1
107.08583	57.6
108.08930	35.8
109.10142	15.2
119.08571	19.4
120.08914	13.7
121.10145	41.1
122.10493	34.7
123.08050	4.5
131.08569	8.4
132.08896	8.6
133.10121	13.0
134.10443	12.5
135.11694	39.9
136.12012	40.3
144.08937	6.7
145.10094	8.6
146.10480	6.3
148.12033	7.4
149.13200	22.7
150.13602	24.2
157.10033	4.8
160.12059	6.3
162.13567	11.8
164.15137	8.1
175.14893	8.0
186.13625	12.2
204.14703	11.6
222.15791	4.5
229.26700	5.2
242.19789	8.5
259.20587	5.4
260.20944	12.3
292.09598	10.2
292.20364	6.4
292.23569	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0966
Annotation	Pareitropone
Peak:m/z	Relative Intensity
54.00185	0.3
70.08004	1.8
73.20323	0.3
75.87792	0.3
89.62008	0.3
111.34251	0.3
140.09059	0.3
153.61699	0.3
155.69073	0.3
165.94574	0.3
179.30679	0.3
193.08875	0.7
195.06815	2.0
198.05492	0.4
203.07251	0.4
215.14232	0.3
219.06786	3.9
220.07541	4.1
221.08411	0.6
223.06250	1.0
231.06746	1.4
232.07579	0.9
234.05623	0.4
234.63260	0.3
236.07082	0.7
247.06329	1.6
248.07051	44.0
249.07678	3.3
251.05887	0.3
260.07037	4.6
262.04865	0.6
263.05759	2.2
275.05719	1.0
276.06537	23.4
277.07318	53.5
278.07599	1.8
292.09653	100.0
293.10043	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01857	1.8
55.05508	25.2
57.07072	8.6
65.03962	1.4
67.05165	1.5
67.05499	30.5
69.07064	36.1
70.20813	6.8
71.04961	2.4
71.08624	2.4
71.85044	1.4
79.05486	22.1
81.07053	100.0
83.04942	1.3
83.08609	15.1
85.06534	21.6
87.20381	1.2
91.05469	14.1
93.07040	54.8
95.04955	2.4
95.08601	84.7
97.06494	1.5
97.10159	9.1
98.20697	1.1
99.08096	13.6
101.34666	1.2
103.03934	1.3
105.07018	22.3
107.04912	2.0
107.08589	55.2
109.06486	1.6
109.10150	50.4
111.08056	3.2
111.11697	5.1
113.09632	4.0
119.08564	18.8
121.10135	39.9
121.11009	1.8
123.11703	28.7
125.09646	4.2
125.13259	1.3
127.11147	2.0
128.06227	1.3
131.08543	2.9
133.10123	12.9
135.11690	29.9
137.13260	7.8
143.08521	3.0
145.10101	2.9
147.11688	11.9
149.13242	51.7
151.14832	2.9
157.10144	2.8
159.08064	1.3
159.11653	3.5
161.13275	12.1
163.14804	38.5
165.16486	1.4
174.77205	1.2
175.14793	5.6
177.16399	12.8
181.15848	2.0
185.13252	5.5
189.16324	3.0
191.08501	3.0
191.17952	7.5
195.17424	3.4
202.07751	11.3
203.08578	13.1
203.14325	5.2
203.17955	4.9
205.06473	1.8
209.18997	1.8
213.12714	1.5
215.08638	1.4
217.19495	7.0
219.08009	5.1
220.08849	5.2
221.19009	2.8
230.07248	1.8
231.08070	16.6
231.13809	2.7
232.08720	4.7
235.20576	4.4
247.07520	4.2
248.08313	10.4
249.14890	2.9
258.06830	1.5
259.07520	13.7
260.08273	14.3
261.08771	3.0
263.10577	3.7
273.25739	7.1
275.06995	2.5
276.07822	6.1
277.08420	2.8
291.10153	44.6
291.15591	1.8
291.26791	54.8
292.10431	9.9
292.27063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03937	3.9
55.01861	2.1
55.05506	25.6
56.96553	1.8
57.03431	2.5
57.07065	8.8
65.03930	2.5
66.15462	1.5
66.86338	1.2
67.05173	2.5
67.05503	33.8
69.03400	2.1
69.07065	52.9
71.04966	1.6
71.08613	3.9
71.64334	2.1
79.05488	24.3
81.07053	100.0
83.08609	18.3
84.04478	3.2
85.02913	1.6
85.06535	19.6
91.05464	14.7
91.40485	1.4
93.07040	59.6
94.07317	1.9
95.04955	3.4
95.08603	78.5
97.06530	8.3
97.10159	9.5
99.08096	12.0
105.07021	27.1
107.04910	2.2
107.08588	70.4
108.08907	1.9
109.06477	2.2
109.10149	50.8
111.08060	5.2
111.11708	3.5
113.09648	3.4
117.07022	2.9
117.27737	1.3
119.08580	21.5
121.06499	2.5
121.10140	48.7
123.11714	26.7
125.09635	4.0
127.11152	2.4
129.06934	1.8
131.08537	5.2
132.28893	1.5
133.10100	13.7
135.11691	34.8
137.13220	10.2
142.07793	1.8
143.08539	3.9
145.10091	4.8
147.11664	13.7
149.13252	55.8
151.14821	2.3
152.94559	1.6
153.05437	3.0
157.10139	3.9
159.11581	3.3
161.13248	10.5
163.03937	4.9
163.14815	46.0
164.15143	1.6
171.11665	1.9
175.07481	1.8
175.14810	6.6
177.16409	14.2
185.13217	4.0
189.16388	5.2
191.17946	6.8
195.17470	3.6
203.14349	7.1
203.17938	5.5
207.13829	2.1
207.17438	1.8
209.19061	5.4
213.12555	1.6
215.07024	2.7
217.17102	2.2
217.19499	5.9
221.19002	3.8
231.13791	3.8
235.20607	4.2
245.16447	4.2
249.11174	4.0
249.14836	1.8
273.18359	2.0
273.25711	5.4
291.07092	2.2
291.15768	2.1
291.20435	5.3
291.26804	57.9
292.06808	10.0
292.09967	2.8
292.27017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	3.6
55.05266	1.6
55.05514	15.5
57.03431	1.8
57.07075	4.1
59.04986	1.5
64.40049	1.2
67.05500	17.9
69.03428	8.6
69.06721	2.1
69.07072	25.3
69.50954	2.0
69.51357	11.0
71.04994	3.6
71.52769	1.1
79.05495	19.3
81.03402	1.6
81.07057	44.8
83.04981	3.4
83.08623	9.4
84.04494	1.7
85.06556	8.4
91.05476	14.9
91.89805	1.3
93.06475	2.8
93.07044	37.5
93.07626	2.7
95.04964	7.3
95.08610	34.0
97.06528	10.6
97.10157	5.0
98.20788	2.8
99.08096	2.3
101.62919	1.4
105.07030	24.3
107.04941	4.8
107.08600	35.6
109.06525	27.9
109.10158	21.2
111.08066	5.0
111.11713	4.2
117.07009	4.0
119.08590	13.3
121.06511	2.2
121.10141	53.2
123.08044	6.8
123.11723	13.1
125.09602	10.2
128.06265	1.7
129.06995	2.5
131.08575	6.6
133.06516	3.2
133.10124	7.6
135.08051	12.8
135.11685	10.6
137.09602	4.5
137.13237	4.5
139.11183	5.2
143.08562	4.2
145.06487	1.6
145.10117	4.6
147.04424	1.9
147.08055	3.3
147.11696	6.5
149.09613	13.2
149.13255	13.9
151.07513	6.1
151.14821	1.4
153.05455	2.7
157.10159	7.7
159.07996	2.9
159.11690	3.6
161.09622	1.5
161.13248	3.3
163.03934	5.8
163.14870	5.5
165.12773	1.5
167.10680	100.0
169.10135	1.7
171.11731	4.2
173.09602	1.9
173.13249	6.8
175.11162	5.6
177.05560	1.3
177.16359	3.4
181.73587	1.4
185.13283	2.8
187.11221	1.5
189.12764	4.3
191.09012	1.6
191.10660	8.4
191.14313	4.8
192.09486	1.4
197.13301	3.9
202.07802	3.6
203.08618	8.0
203.17960	1.9
207.13528	1.4
215.14339	5.9
217.12314	3.1
217.15884	1.6
219.08076	3.5
220.08826	4.2
231.08060	9.2
232.08678	1.9
233.06049	1.9
233.15381	15.6
247.07579	3.6
247.13388	1.7
248.08334	14.3
255.17453	3.1
259.07562	5.0
260.08243	3.8
263.10733	7.3
273.18515	10.0
273.25784	1.8
274.18158	2.2
276.07785	8.2
291.10156	43.8
291.16415	2.6
291.19516	22.5
291.23303	3.0
291.26675	16.6
292.06396	2.9
292.10352	4.0
306.28186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05505	3.8
57.03415	0.7
57.07067	1.7
59.04996	2.4
67.05497	4.3
69.03429	1.4
69.07072	1.5
70.02808	2.2
71.04984	2.5
79.05492	4.9
81.07067	5.9
83.04956	1.4
83.08620	2.4
85.06530	1.6
91.05464	2.5
93.07045	8.0
95.04964	3.3
95.08048	1.2
95.08603	11.3
97.06525	2.0
103.05478	0.9
105.07031	8.1
107.04954	4.2
107.08578	5.5
109.06503	5.3
109.10149	1.5
111.04459	0.8
111.08080	22.2
113.06032	0.8
115.05505	0.9
116.01439	0.7
117.07022	1.2
119.08593	7.0
121.06501	2.5
121.10149	4.8
122.07272	1.3
123.08071	37.1
123.11700	1.6
125.09683	0.6
128.06160	0.7
129.07030	1.4
130.07759	0.9
130.53401	0.6
131.08551	5.1
133.06500	1.9
133.10121	5.3
135.08066	5.2
135.11664	3.2
137.08681	0.8
137.09624	2.5
141.05461	1.1
142.07761	0.9
143.08534	1.5
145.10118	8.7
147.08041	2.5
147.11708	4.6
149.09612	4.5
151.07544	100.0
156.09352	2.1
157.10146	4.0
158.10986	0.6
159.08069	2.5
159.11714	2.1
161.09637	3.5
161.13268	2.0
163.11179	2.9
169.10069	1.0
171.11685	2.6
173.13251	3.5
174.10402	1.4
175.11140	3.9
177.09175	1.8
177.12718	1.3
179.10698	5.3
181.12221	1.1
185.13234	0.9
187.11153	2.6
187.14816	1.2
189.12752	26.6
190.13329	0.9
191.10596	1.9
191.14322	3.2
192.09917	0.7
192.11458	4.0
197.11710	14.4
197.13243	1.4
203.14348	1.6
207.13805	60.1
208.14285	1.1
213.16394	1.6
215.14337	2.8
217.12283	3.8
231.17436	1.8
233.15366	13.0
235.13290	2.2
237.16328	1.0
243.90553	0.7
248.07062	7.9
255.17395	1.8
273.18561	4.6
276.06601	2.8
277.07367	7.7
291.19553	36.9
292.09686	16.7
292.19943	0.8
312.50345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.42666	0.2
53.03949	0.6
55.01870	2.0
55.05514	8.2
57.03434	0.4
59.04981	0.4
64.59963	0.3
65.03926	0.5
65.06580	0.3
67.05505	5.1
69.03436	1.5
69.07071	3.4
69.92149	1.4
71.04964	0.9
75.95103	0.3
77.03910	0.3
79.05493	7.0
79.25414	0.2
81.03405	1.0
81.07054	6.4
83.04967	1.1
83.08614	3.7
85.06534	0.4
85.26434	0.3
91.05478	8.1
93.07043	6.3
93.98646	0.3
95.04974	3.4
95.08601	3.3
97.06522	0.8
97.10162	3.0
103.05424	0.4
105.07024	9.2
107.04957	2.7
107.08588	4.1
108.05711	0.5
109.06528	1.3
109.10147	0.9
111.08074	0.6
115.05439	0.7
116.06200	0.5
117.07032	2.7
119.04943	1.7
119.08578	6.0
120.05712	0.7
121.06496	2.7
121.10153	1.3
123.04440	0.3
123.08054	1.2
125.09648	1.7
128.06215	0.9
129.07001	2.4
130.07762	0.8
131.08591	3.7
133.06485	4.4
133.10123	1.4
134.07249	1.0
135.08044	1.6
135.11649	0.7
142.07791	0.8
143.08568	2.2
145.06487	0.7
145.10110	3.1
147.08049	3.8
147.11691	0.7
149.09598	1.2
149.13272	0.3
155.08580	0.4
156.09305	0.4
157.10132	2.2
159.08075	0.6
159.11705	1.3
161.09645	1.3
161.13258	0.6
162.10396	1.9
163.11157	0.7
165.09160	0.5
171.11679	0.6
175.11185	1.3
175.14806	0.6
180.59096	0.3
185.13297	2.0
187.14772	0.5
189.11113	0.4
203.14346	2.9
207.13763	0.3
213.12709	0.5
223.13295	1.0
231.13695	1.0
240.37476	0.3
249.14847	3.3
261.14920	0.5
262.15753	0.4
263.16125	0.3
273.18506	2.2
291.19537	100.0
292.19739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03934	2.1
55.01631	1.6
55.01875	22.0
55.05515	10.1
57.03439	19.1
57.07071	1.8
61.12045	0.8
65.03926	2.2
67.05509	16.4
67.66013	0.8
69.03412	3.8
69.07048	3.8
69.95233	2.2
69.95644	4.6
71.04990	1.7
73.86595	0.9
79.05492	40.6
81.03412	2.4
81.06582	1.3
81.07057	20.7
83.08611	3.0
85.06532	2.8
87.67679	1.0
91.05479	34.6
93.07042	23.6
95.04975	5.5
95.08607	12.9
97.06513	4.2
97.10184	1.2
98.20838	1.8
103.05474	1.3
105.07033	33.4
107.04946	10.6
107.08591	26.5
109.06519	68.4
109.10137	1.8
111.08092	1.6
115.05467	3.4
116.06220	1.8
117.06233	1.1
117.07024	16.2
119.04891	1.7
119.06046	1.7
119.08587	14.7
121.06501	6.5
121.10164	4.8
123.08053	3.8
128.06213	4.2
129.07019	7.6
130.07767	1.4
131.08574	19.6
133.06485	3.3
133.10124	7.7
135.08054	100.0
135.11659	4.0
141.06999	2.1
142.07742	3.6
142.08792	1.0
143.08580	12.1
144.09375	1.1
145.06490	1.4
145.10123	15.0
147.08037	3.7
147.11662	3.1
149.09598	7.9
149.13228	1.2
155.08519	2.6
156.09283	0.9
157.10133	10.3
159.08058	3.1
159.11688	9.2
161.09637	9.6
161.13260	4.0
163.07474	1.6
163.11172	2.1
169.10048	1.5
170.10901	1.0
171.11684	3.4
172.62160	1.0
173.13330	1.7
175.07486	1.3
175.11171	3.2
175.14751	4.8
177.12750	1.5
183.11679	1.6
185.09685	1.3
185.13261	12.1
187.11145	0.9
187.14784	1.2
195.11650	2.8
199.11067	1.3
199.14827	4.0
201.12738	2.9
203.14357	12.9
213.12738	2.2
217.13821	1.2
217.15887	18.4
231.13820	4.3
237.16435	1.3
245.19006	2.0
249.14824	6.3
255.17395	2.8
273.18472	20.7
291.16006	3.8
291.19519	40.3
292.19946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01860	1.0
55.05512	3.8
55.76184	0.7
56.85523	0.7
57.07061	2.5
58.77466	0.7
59.04989	2.4
59.67481	0.7
66.20630	0.7
67.05491	2.8
69.03413	1.4
69.07067	1.0
70.54547	2.6
71.05002	1.5
79.05080	0.9
79.05473	4.1
80.83012	0.7
81.07050	5.7
83.04973	2.3
83.08607	2.4
85.06535	1.7
91.05467	4.1
93.07043	6.5
95.04958	3.1
95.08595	10.9
96.15769	0.7
97.06516	2.3
105.07020	8.7
107.04953	3.5
107.08591	4.8
109.06503	5.4
109.10172	2.0
111.04446	0.7
111.08076	22.4
117.06982	1.3
119.08575	7.2
121.06479	1.6
121.10146	3.5
122.07253	1.7
123.08060	31.5
123.11676	1.1
130.07784	1.0
131.08566	3.5
133.06525	3.1
133.10138	6.5
135.08081	4.0
135.11707	3.1
137.09619	3.2
142.07761	1.0
143.08549	2.1
145.10110	7.7
147.08069	1.7
147.11691	3.5
149.09622	2.9
151.07535	100.0
152.07857	1.5
153.09204	0.8
155.08505	1.2
156.09343	1.6
157.10132	3.4
159.08057	1.5
159.11717	2.1
161.09612	3.1
161.13240	1.8
163.11168	3.7
171.11679	2.8
173.13271	3.0
174.10330	1.7
175.11154	2.2
177.09161	2.1
177.12759	1.2
179.10693	4.3
185.13156	1.5
187.11208	2.7
189.12730	26.0
191.10762	1.0
191.14288	4.4
192.11470	5.5
197.11710	14.7
197.13277	1.4
203.14366	1.2
205.12283	1.0
207.13795	59.9
213.16452	1.0
215.14311	3.9
217.12231	3.3
233.15332	10.2
235.13315	1.1
248.07002	5.3
255.17432	2.1
260.07214	1.0
273.18478	4.1
276.06638	3.7
277.07379	7.7
291.19543	33.2
292.09616	13.9
292.12628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1587
Annotation	[3aR-(3aR*,5Z,9E,11aS*)]-6-[(Acetyloxy)methyl]-3a,4,7,8,11,11a-hexahydro-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05513	4.9
59.06240	3.3
60.45387	3.7
66.65452	3.4
67.05497	10.3
69.07056	4.8
71.48493	5.6
79.05489	18.4
81.07060	24.3
81.18118	4.2
88.07666	5.1
91.05473	32.4
93.07054	18.1
95.04964	4.5
95.08605	10.7
103.05501	4.7
105.07027	46.1
107.08566	6.3
109.06509	5.6
115.05463	13.6
117.07012	51.9
119.08546	19.4
121.06532	3.6
128.06227	41.7
129.07028	29.3
131.08565	27.1
133.06468	7.2
133.10118	19.0
135.08096	4.7
141.06966	8.8
142.07776	15.9
143.08551	100.0
145.06508	3.5
145.10114	25.0
153.06993	5.2
155.08514	9.7
156.09302	6.7
157.06461	4.9
157.10101	46.7
157.11273	4.3
159.11685	50.2
161.05972	4.4
163.07565	4.4
165.07069	10.7
167.08556	5.8
169.10229	7.8
170.10924	12.4
171.08046	53.8
171.11711	6.0
175.07500	6.8
175.14813	4.1
180.09367	8.4
183.11708	5.1
184.00951	3.7
185.09648	5.9
185.13261	97.3
186.13519	4.3
187.14830	4.9
189.09134	9.9
195.11691	25.4
203.14343	7.5
213.12706	33.4
231.13814	48.3
243.25250	5.9
249.15067	4.9
291.15955	4.8
291.19342	5.3
291.27277	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	291.1588
Annotation	15-Acetoxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
50.64646	2.6
51.72068	2.0
53.03930	3.2
55.05507	7.3
62.05405	2.0
67.05487	6.4
69.07037	2.8
69.73761	2.0
70.85466	6.9
79.05486	14.4
81.07055	24.3
82.94624	2.6
91.05476	33.3
93.07042	31.6
95.04966	4.4
95.08617	19.5
97.06539	2.7
99.71599	2.5
105.07024	100.0
107.08591	20.3
109.06483	3.5
111.08070	3.8
115.05418	3.8
117.07026	15.9
119.04953	2.5
119.08583	42.8
121.06522	19.7
121.10139	2.8
128.06226	11.6
129.07002	11.0
130.07741	4.4
131.08559	29.4
133.06480	3.7
133.10114	21.3
135.08087	2.5
141.07027	2.8
142.07803	14.0
143.08556	33.5
144.09317	3.5
145.06535	2.8
145.10107	35.5
145.11249	2.7
147.08083	4.1
147.11678	8.3
151.07497	3.7
155.08571	4.7
156.09329	3.9
157.10117	28.1
159.11714	25.1
161.09636	5.0
161.13272	16.6
163.07532	5.7
165.06955	3.0
170.10922	3.5
175.07509	2.2
175.11171	12.2
175.14816	19.6
185.13255	52.3
187.14804	5.3
188.27148	2.3
195.11697	6.5
203.14316	76.3
213.12753	10.2
231.13797	25.1
249.14882	31.9
291.15948	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	291.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
58.06588	0.7
58.93171	0.4
61.01148	15.6
67.05501	0.8
69.07063	0.5
70.06570	1.1
70.76577	1.4
79.05475	0.7
81.07056	1.6
84.04498	1.2
84.08141	87.6
85.08480	0.7
86.09704	1.3
90.31981	0.4
91.05477	1.2
93.07043	2.5
95.08612	1.4
105.07030	5.1
107.08595	1.0
113.26900	0.4
117.06995	1.1
119.08580	2.5
121.06478	1.0
128.06232	0.7
129.07069	0.6
131.08556	1.8
132.08424	100.0
133.08740	0.6
133.10127	1.2
139.03900	0.9
142.07864	0.5
143.08566	1.8
145.10130	1.5
151.03893	0.5
157.07668	0.8
157.10081	2.1
159.11661	1.3
161.13306	1.1
175.07463	0.5
175.14787	1.0
185.13177	3.7
195.11674	0.7
198.11255	0.9
199.12302	1.1
203.03404	0.6
203.14314	4.1
213.12735	0.6
215.14006	0.8
231.02975	0.7
231.13794	1.4
245.12866	0.6
249.14879	2.3
263.09164	0.6
273.12350	6.0
291.08588	0.8
291.13361	3.4
291.17300	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	2.0
55.01870	22.2
55.05509	10.9
56.05022	2.5
57.03432	17.8
57.07075	1.8
58.06572	1.4
64.32717	1.2
65.03919	2.9
67.05502	29.1
69.03409	3.4
69.07067	5.7
71.03382	3.2
71.03734	1.1
71.04979	2.3
74.06054	2.6
79.05486	47.0
81.03445	1.7
81.07051	19.4
83.05003	1.5
83.08598	3.8
85.06522	3.3
88.07624	7.3
89.07962	2.5
91.05470	35.4
93.07035	23.2
95.04958	21.9
95.08597	10.5
97.06506	3.5
97.10149	1.9
103.05442	1.7
105.04514	1.5
105.07028	23.2
107.04962	12.3
107.08588	26.7
109.06508	63.3
109.10152	3.3
111.08095	2.0
115.05459	3.7
117.07012	15.5
119.06067	1.5
119.08557	11.9
121.06501	5.4
121.10148	5.8
122.08185	1.2
123.08069	2.7
128.06235	3.1
129.06996	10.2
130.07814	1.4
131.08554	17.1
133.06477	2.9
133.10118	6.8
135.08043	100.0
135.11664	3.8
141.06989	2.4
142.07750	3.5
143.08554	11.7
145.06465	1.6
145.10123	12.8
147.08038	5.6
147.11630	2.8
147.97652	1.2
148.30074	1.3
149.09599	9.5
151.07472	1.4
155.08559	2.1
157.10133	12.8
159.08040	3.0
159.11729	5.7
161.09604	11.1
161.13251	2.0
163.11165	2.4
171.11690	4.7
173.09634	1.5
173.13245	3.5
175.11180	3.1
177.12659	1.7
183.11703	3.6
185.09662	1.3
185.13205	5.3
187.11147	1.9
189.12823	1.8
199.14827	3.4
201.12726	2.5
203.14326	4.6
217.15874	15.8
231.10420	1.4
231.13675	5.6
233.15202	1.3
235.39571	1.3
243.25133	9.6
247.13196	2.2
249.14728	2.1
255.17503	2.8
273.18457	21.5
291.16293	2.0
291.19553	40.7
291.27170	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1588
Annotation	15-Acetoxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03943	8.5
55.01866	9.3
55.05511	23.5
56.96572	6.1
57.03428	11.2
57.07066	4.5
64.01128	4.1
65.03955	5.2
67.05500	31.5
69.07066	8.9
70.38343	16.5
79.05495	40.8
81.07060	50.8
82.39737	3.8
83.04963	8.9
83.08612	9.7
88.07644	12.4
91.05474	58.6
93.07037	48.2
94.83900	4.4
95.04962	22.0
95.08598	28.2
97.06523	13.2
103.05457	9.2
105.07021	100.0
106.07294	5.0
107.04942	29.4
107.08594	33.0
109.06506	27.4
109.10155	18.5
111.08073	6.3
115.05467	12.5
117.07005	35.4
119.04913	4.8
119.08579	51.6
121.06502	27.8
121.10125	11.3
123.04452	5.6
123.08073	11.0
124.01511	4.3
128.06215	21.7
129.07031	30.7
131.04984	4.9
131.08566	44.5
132.05684	5.1
133.06512	13.0
133.10147	24.7
135.08046	24.4
137.05984	4.6
137.09613	12.9
141.06973	11.1
142.07759	18.5
143.08575	69.6
144.08893	4.0
145.06470	23.0
145.10121	44.0
147.08038	23.9
147.11670	13.3
149.05997	7.9
149.09599	7.3
151.07550	10.5
153.06996	6.0
155.08582	24.3
156.09184	9.3
157.06548	12.1
157.10124	62.4
158.07271	8.8
159.08060	14.9
159.11743	33.5
161.05965	13.5
161.09622	18.1
161.13240	14.5
163.07549	6.4
165.07048	5.1
167.07034	24.8
167.08505	7.6
168.09305	8.4
169.06458	8.0
170.07359	5.9
170.10962	5.5
171.08040	19.2
171.11687	7.3
173.05968	13.4
173.09575	8.6
173.13213	4.9
175.07530	25.5
175.11198	12.2
175.14828	16.4
177.05455	8.0
178.06229	6.6
180.09375	6.0
181.08580	12.0
181.10109	8.3
182.33293	4.5
183.08095	4.5
183.11725	13.7
184.12094	4.4
185.09628	8.1
185.13371	64.4
187.07581	9.9
187.11189	9.0
187.14897	4.9
188.08240	4.8
189.05293	5.7
189.09146	18.5
191.07059	10.2
192.07802	8.0
193.08578	25.0
195.11711	14.9
198.10480	6.3
199.11186	8.3
199.14813	5.8
201.09082	9.0
201.12807	7.0
203.07013	9.4
203.10654	6.6
203.14351	45.1
205.08606	12.2
207.10092	7.8
209.08124	7.0
213.12831	25.5
215.10683	17.3
217.12273	6.9
217.15878	5.0
219.10056	11.8
221.08064	10.7
221.11691	6.3
223.09714	7.5
229.12163	6.2
230.12483	6.1
231.10118	14.7
231.13884	96.4
233.11676	10.4
234.12514	16.1
235.09712	14.0
241.12251	9.6
243.25084	11.9
247.13348	8.8
249.11388	6.6
249.14781	35.0
259.13409	4.7
263.16415	12.4
273.14828	19.6
273.18393	7.7
277.07303	4.5
291.15875	63.1
291.19495	27.7
291.27155	40.0
292.06491	3.9
292.09842	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	291.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37879	0.3
52.72564	0.5
53.03954	0.4
56.96549	1.7
61.02915	0.5
63.69675	0.3
69.03419	0.7
70.06587	0.8
70.20384	1.9
71.04996	1.8
81.03408	3.0
84.96045	0.5
85.02905	1.2
87.04455	0.4
94.06541	0.5
95.04952	0.6
97.02919	0.4
98.97601	1.8
99.04453	2.1
100.00101	1.5
101.00885	3.7
103.02431	0.5
109.02863	1.6
112.99160	0.4
113.00851	1.3
114.06794	4.3
115.02446	2.2
116.98633	0.5
118.01147	4.2
118.08678	0.5
119.01924	11.1
120.02034	0.4
121.01660	1.0
127.02444	0.5
128.98622	0.5
129.03999	0.6
130.00232	0.4
131.00139	0.9
131.01918	5.3
132.02710	0.4
133.03473	6.6
135.03204	0.4
137.02948	3.1
138.01665	1.0
139.02472	0.6
141.03918	0.6
141.05499	0.5
142.01141	0.5
142.03413	0.6
143.00166	0.7
143.01907	0.8
144.02681	1.6
145.01750	0.4
145.03462	3.4
146.99660	0.7
147.05011	1.1
149.01122	0.6
149.02975	0.8
151.04504	1.6
155.05515	0.4
156.02684	10.5
157.03491	8.4
158.04272	0.7
159.01331	2.0
159.05045	3.2
160.02162	1.3
161.01213	1.1
161.02960	3.7
163.02670	0.7
163.04504	0.7
166.01131	1.4
167.01976	0.9
168.02722	0.4
169.03477	1.5
170.99678	0.5
171.05058	3.6
173.03003	1.0
173.06602	2.6
174.03799	1.8
175.04541	11.4
176.04633	0.4
177.02448	0.5
178.03249	0.4
179.04097	0.7
181.03470	1.4
183.05066	0.9
184.02177	9.3
185.02997	4.7
187.04454	2.1
189.00662	0.9
189.06038	2.5
191.03943	0.6
191.07639	0.9
198.03746	1.5
199.04543	6.8
200.04744	0.7
201.02458	0.5
201.06076	2.0
202.03206	1.4
203.02379	0.6
203.04002	3.0
205.05568	0.5
209.03008	0.6
213.06056	1.4
215.07649	1.2
216.04778	1.0
217.05608	5.1
219.03532	1.0
221.05106	0.7
227.03987	0.8
231.07117	1.6
233.08614	0.9
235.06691	0.6
241.05598	1.1
249.02721	0.7
249.08220	9.3
250.08447	0.7
259.06619	1.4
267.09293	5.3
273.08121	0.5
291.09232	100.0
292.09393	5.0
309.04962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99127	0.7
51.57877	0.8
51.77009	0.7
56.96561	16.2
61.02904	0.9
70.26504	3.8
82.99834	1.8
84.96012	0.8
86.99294	1.2
97.02858	0.9
98.97569	8.5
101.00867	10.9
103.02443	0.9
111.04459	0.8
113.00877	1.5
115.02404	7.2
116.98605	8.6
118.01137	1.3
119.01917	39.0
119.93908	1.0
122.94341	0.7
124.99116	3.5
126.33161	0.8
127.00639	1.3
129.43947	1.0
131.00214	1.1
131.01884	5.8
133.03465	38.5
133.04488	1.8
134.99658	2.7
137.02951	11.8
141.02301	0.9
142.01108	3.7
143.00171	12.9
143.01926	4.4
145.03476	5.1
147.04988	2.5
149.02925	0.9
151.04521	12.0
152.98590	1.7
156.05022	0.9
157.03473	4.0
159.01396	2.1
159.03253	1.2
160.02187	4.9
161.01237	10.2
161.02954	18.0
163.04507	1.5
169.01773	2.4
170.99667	7.6
173.01466	1.1
173.02992	7.7
175.04471	4.6
177.02444	2.9
179.02254	1.3
179.03860	1.1
183.01187	1.0
185.01228	7.3
187.02774	3.3
187.04358	1.4
188.70822	1.1
189.00699	11.2
191.02260	0.9
191.03969	17.2
195.03543	0.9
201.02431	31.5
203.02242	5.0
205.00183	2.1
207.01733	1.9
209.05066	8.0
213.00711	4.5
214.05499	1.0
217.02037	1.3
219.03493	100.0
220.03662	2.9
221.03426	1.7
230.13551	0.8
231.01736	9.7
231.03596	2.8
235.03008	2.2
237.04517	5.9
242.05176	4.1
249.02402	9.1
249.04671	5.8
255.01656	0.9
257.72833	0.9
261.04578	2.5
263.06183	2.7
267.03900	4.2
267.06247	1.3
273.02515	1.3
285.04865	3.5
291.03748	6.9
291.05853	5.3
309.04767	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	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01860	2.0
55.05521	0.8
56.05032	2.7
57.03424	2.4
60.04517	5.3
61.02919	9.3
67.61901	0.5
68.99780	6.6
69.03439	2.9
70.02950	4.2
70.06599	1.1
70.14754	1.1
70.15176	2.1
71.04974	0.7
72.04494	1.0
73.02911	2.0
79.05512	0.7
79.74398	0.5
81.03412	8.0
82.02944	0.7
84.04497	100.0
85.02898	26.7
85.03413	0.9
85.04848	0.7
87.00814	6.9
91.05497	0.8
96.04492	2.3
97.02892	2.0
97.06497	0.6
98.06035	3.3
98.21407	0.7
98.97477	0.6
99.04430	1.5
100.03895	1.0
103.03938	15.8
105.01879	1.4
105.07041	0.7
108.04476	1.6
109.02876	16.7
110.06046	1.5
114.60529	0.6
115.51627	0.6
120.08093	1.1
126.05506	31.0
127.03902	8.5
129.01826	9.7
140.07037	1.2
142.07707	0.6
143.08611	0.7
144.06537	4.6
145.04964	1.9
147.02858	6.4
150.05478	0.9
156.06526	1.4
168.06537	5.8
169.04904	1.1
171.02946	1.3
184.12057	0.8
186.07556	5.0
189.03906	4.4
193.07338	1.2
195.02823	0.6
204.08672	3.3
212.05516	0.6
213.03838	0.9
228.08665	2.2
229.08443	0.7
230.12497	1.3
244.06688	0.5
272.07507	6.6
290.05716	1.4
290.08719	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	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	2.8
55.05512	1.3
56.05037	2.9
56.96573	1.0
57.03436	3.3
60.04525	9.3
61.02925	9.6
62.27526	0.7
67.05476	0.7
68.99790	9.3
69.03441	3.7
70.02947	5.8
70.06583	2.3
71.01352	0.7
71.04996	1.0
71.63690	1.0
72.04506	1.6
72.08150	1.2
73.02922	1.6
75.46204	0.7
80.05031	0.8
81.03419	11.6
81.07066	1.4
82.95426	0.6
83.01353	1.1
84.04504	100.0
84.08150	1.5
85.02901	32.0
85.04855	1.4
85.97768	0.7
86.06080	1.1
86.09673	0.7
87.00835	7.8
91.05474	2.7
93.07057	1.9
95.04922	1.1
95.08605	0.8
96.04482	1.8
97.02892	2.8
98.06048	2.7
99.04459	1.6
100.04003	1.0
103.03943	14.7
105.01862	2.4
105.07023	2.3
107.08566	1.4
107.96356	0.7
108.04487	1.9
109.02882	25.7
110.06063	1.4
112.08721	0.7
119.08595	1.2
120.08094	0.8
120.87608	0.8
122.06036	1.2
122.10495	0.7
125.02354	0.8
126.05517	31.2
127.03918	11.8
129.01839	14.7
130.06487	0.8
130.07370	0.7
131.08568	1.1
133.06470	0.8
135.04395	0.8
137.15254	0.9
140.33118	0.8
140.36749	0.7
143.08540	1.2
144.06572	5.9
144.08946	1.0
145.04942	1.4
145.10081	1.5
147.02885	7.4
147.04384	1.3
150.05450	1.0
155.08482	1.1
156.06586	1.9
156.08858	1.1
157.10130	1.5
159.11659	1.0
168.06541	4.4
169.04944	1.4
169.09650	1.2
171.02843	0.9
184.12094	3.4
185.13287	2.0
186.07637	4.4
189.03964	4.3
202.13037	1.3
203.14427	1.9
204.08672	4.9
213.12408	0.8
228.08684	2.7
229.12242	1.2
230.12552	3.1
272.07587	5.4
272.16409	0.8
290.08701	28.6
290.13977	1.1
290.17316	1.6
291.09006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01871	2.1
55.05500	0.5
56.05025	2.0
57.03435	3.4
60.04525	6.6
61.02925	9.3
68.05041	0.5
68.99791	8.8
69.03420	2.6
70.02953	6.6
70.06573	0.5
70.66739	1.6
71.01341	0.5
71.05006	0.7
72.04517	1.7
73.02913	2.5
80.05020	0.9
81.03421	10.4
81.07045	0.6
83.01340	1.1
84.04504	100.0
84.08113	0.4
85.02903	31.1
85.04848	0.5
87.00830	8.5
95.08565	0.5
96.04488	2.4
96.14494	0.5
97.02911	2.5
98.06062	2.4
99.04462	2.0
100.03990	1.3
103.03942	14.5
105.01898	2.4
105.07037	0.7
107.08607	0.8
108.04487	1.9
109.02877	23.7
110.06061	2.0
112.03979	0.9
126.05515	28.4
127.03915	9.8
129.01837	14.1
140.07076	1.2
144.06555	5.9
145.04993	1.9
147.02882	7.3
150.05444	0.6
156.06532	1.6
168.06592	3.7
169.04945	2.2
171.02861	1.0
186.07593	5.3
189.03909	4.9
204.08690	4.3
213.03989	1.9
228.08633	1.8
254.06546	0.7
272.07678	6.8
290.05746	1.2
290.08728	21.6
290.25616	0.7
291.10037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01858	2.3
56.05022	3.3
57.03428	3.2
60.04519	7.5
61.02928	8.6
61.98465	0.8
68.99789	8.3
69.03420	2.4
70.02946	4.5
70.06591	1.6
71.63784	1.3
72.04520	1.9
73.02917	2.0
79.05495	0.9
80.05032	0.8
81.03413	9.7
81.84914	0.7
84.04500	100.0
85.02902	28.4
86.09695	1.0
87.00831	7.5
93.07014	0.9
96.04495	1.8
97.02892	2.7
97.66652	0.7
98.06046	2.7
99.04455	1.9
100.03991	1.2
103.03938	13.7
104.78784	0.8
105.01868	2.3
105.06222	0.7
105.07037	0.8
107.43875	0.7
108.04472	2.0
109.02882	19.5
126.04558	1.5
126.05511	29.2
127.03910	10.0
129.01842	11.7
140.07065	1.0
144.06548	4.7
144.08920	0.9
145.04987	1.4
147.02859	5.5
156.06584	2.1
168.06541	5.3
169.04893	0.8
171.02896	1.3
184.12065	2.0
186.07652	5.1
189.03912	5.0
202.13179	1.0
204.08743	3.3
208.89310	0.7
213.03944	1.6
228.08684	2.1
230.12598	1.1
246.09767	0.8
272.07666	6.7
286.69012	0.8
290.08655	20.2
291.09024	0.9
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	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03944	1.9
55.01854	1.6
55.05506	17.6
57.07081	6.1
65.03909	1.3
67.05502	36.3
69.03407	1.6
69.06734	1.4
69.07067	22.0
70.04105	5.4
70.04523	2.8
71.05006	1.5
79.05485	22.8
81.07053	71.8
83.08617	8.1
84.04469	4.3
85.02888	1.4
85.06538	19.2
91.05476	19.2
93.07040	39.6
94.81268	1.1
95.04939	2.9
95.08602	71.4
96.29505	1.5
97.06499	2.8
97.10137	5.8
99.08080	11.5
105.07027	38.9
107.08585	40.9
109.06500	1.9
109.10150	34.6
111.08047	3.5
111.11738	1.7
113.09613	4.8
117.06992	5.6
119.08573	37.7
121.10134	26.2
123.11712	16.4
125.09616	4.2
127.03925	1.3
129.07007	1.3
130.07788	1.1
131.08562	14.0
133.10129	32.0
135.04376	1.1
135.11687	25.1
137.09621	1.3
137.13213	3.8
139.11151	5.1
142.07622	1.4
143.08568	1.8
145.10123	20.4
147.11682	27.4
149.13254	19.5
151.11087	1.4
153.01776	6.2
155.08542	2.2
157.10144	2.2
159.11684	16.3
161.13239	31.3
163.03900	4.5
163.14812	11.3
165.12796	2.1
168.88481	1.5
173.13266	13.0
175.13483	1.6
175.14835	19.9
177.16367	5.4
179.14326	3.0
183.11697	5.1
187.14874	9.1
189.16377	16.1
191.17955	1.8
193.15869	4.9
201.12703	1.3
201.16362	7.8
203.17899	5.4
207.17447	1.8
211.11095	1.9
215.17924	9.7
219.17505	1.6
229.12247	4.6
229.19469	1.9
231.21107	1.7
233.19032	3.2
247.20570	1.7
271.24194	18.9
289.06976	7.0
289.14319	2.0
289.25238	100.0
290.25662	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03933	2.4
55.01855	1.0
55.05508	16.2
55.95824	0.9
57.03414	2.6
57.07069	6.0
60.32223	1.0
65.03912	1.3
67.05504	28.5
69.03434	2.3
69.07064	27.5
69.92596	3.2
69.93008	3.3
71.04967	1.3
71.08620	1.6
79.05487	21.0
81.07050	70.5
83.08610	8.7
84.04495	3.9
85.06542	15.8
91.05471	19.5
93.07040	39.0
95.04956	2.8
95.08601	64.9
97.06507	2.7
97.10152	4.7
99.08073	6.2
105.07022	41.3
107.07859	2.1
107.08591	35.1
109.06494	3.7
109.10152	33.0
111.08075	4.5
111.11700	2.7
113.09612	2.5
115.05415	1.2
117.06976	5.3
119.08575	39.1
121.10139	28.0
123.08043	2.4
123.11710	14.9
124.79150	1.1
125.09628	3.7
128.06201	1.4
129.06979	2.5
131.08553	13.9
133.10120	28.3
135.11687	21.5
137.13248	3.2
139.11157	3.5
142.07813	1.7
143.08531	3.5
144.09393	1.9
145.06450	1.5
145.10114	16.8
147.11678	35.7
149.13246	19.2
151.11121	1.5
151.14851	1.0
155.08577	3.3
157.10123	3.0
159.08073	1.7
159.11682	18.4
161.13246	30.3
163.11174	1.5
163.14828	11.9
165.12767	1.6
167.14290	1.3
168.09306	2.7
171.11641	1.3
173.13243	11.2
175.14809	14.6
177.16374	4.8
179.14333	2.8
183.11731	5.9
184.16791	1.1
187.07700	1.1
187.14809	7.6
189.01193	1.1
189.16380	12.4
191.17953	2.1
193.15880	2.8
196.08835	1.1
198.95865	1.1
200.10611	1.5
201.12735	3.1
201.16315	6.5
203.17984	1.5
207.17384	1.6
215.17944	7.0
217.19513	2.3
218.11751	1.9
229.12213	6.7
229.19717	2.1
231.21169	2.0
243.21161	1.7
271.24246	17.0
289.14786	2.8
289.25247	100.0
290.25580	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03939	2.7
55.01860	2.4
55.05511	18.4
57.03427	1.1
57.07070	9.3
61.91620	1.2
67.05503	33.6
69.03419	4.7
69.06728	1.4
69.07070	25.0
69.88071	5.6
70.16516	1.4
71.04980	3.5
75.85757	1.0
76.14985	1.2
79.05493	23.7
81.03391	2.4
81.07057	77.2
83.04976	1.9
83.08614	8.1
84.04111	1.1
84.04507	11.8
84.62720	1.0
85.02907	3.3
85.06536	19.3
91.05479	19.5
93.07043	42.3
95.04961	5.3
95.08605	63.8
97.06523	6.1
97.10143	4.1
99.08084	6.6
103.03996	1.7
105.07030	39.0
107.08589	41.7
109.02824	1.8
109.06508	3.8
109.09456	2.2
109.10155	33.3
110.06001	1.2
111.08055	4.4
111.11743	1.3
111.57377	1.2
113.09634	4.2
115.05457	1.7
117.06998	7.2
119.08575	33.6
121.06494	1.8
121.10139	27.2
123.08080	2.1
123.11717	17.1
125.09644	7.2
126.05518	4.3
128.06212	3.6
129.06992	3.7
131.08565	20.1
133.10124	28.1
135.04449	1.6
135.08005	2.9
135.11691	25.9
137.09573	1.3
137.13248	4.2
139.11176	3.2
141.06941	3.3
142.07738	3.7
143.08560	8.7
145.06487	3.1
145.10124	15.3
147.11679	29.0
149.05933	1.6
149.13264	22.1
151.11208	1.4
153.07008	4.2
153.12874	1.3
154.76231	1.2
155.08569	6.8
157.06488	1.6
157.10112	6.6
158.01773	1.3
159.08090	3.3
159.11691	15.6
161.13248	23.6
163.03842	1.7
163.14809	11.9
165.12753	2.6
167.08572	1.6
168.09343	5.4
169.10057	1.4
171.11606	2.7
173.05977	1.8
173.09613	1.8
173.13251	12.2
175.07571	1.7
175.14854	18.2
177.12767	1.4
177.16406	3.5
178.07806	1.5
179.14326	3.4
183.11682	19.4
183.74071	1.2
184.12056	1.7
185.09576	2.1
185.13216	1.5
187.07507	3.4
187.14786	7.8
189.16362	12.6
191.17937	2.0
193.08580	5.2
193.15962	3.0
201.12798	4.6
201.16423	7.6
203.17903	2.6
207.17433	2.0
211.11198	4.5
215.17982	9.2
217.19408	2.0
227.10497	1.2
229.12238	14.8
229.19482	2.3
231.21187	2.7
233.19011	2.8
243.11371	1.5
271.24164	20.2
272.66159	1.1
289.10825	3.0
289.14456	13.3
289.25253	100.0
290.08548	2.8
290.25473	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	289.2274
Annotation	Flabelline
Peak:m/z	Relative Intensity
55.05499	2.0
56.05022	1.8
59.04979	4.2
67.05489	2.5
69.34681	16.9
80.84617	1.5
81.07034	3.6
85.06542	7.6
91.05509	3.5
93.07040	5.7
95.04922	2.1
95.08600	4.3
105.07011	4.8
107.08604	4.2
111.09198	19.2
112.77454	1.4
117.07014	1.7
119.08570	4.0
125.09642	2.8
129.07016	2.3
131.08559	5.9
133.10101	2.0
141.06982	2.7
142.07771	2.6
143.08534	4.5
145.10126	3.5
147.11633	1.6
153.06972	3.9
153.47316	1.6
155.08546	5.1
157.10112	5.7
159.11682	2.2
168.09352	6.4
173.13251	2.8
177.60814	1.6
183.11682	13.0
185.13319	1.8
201.12779	5.1
211.11110	4.4
229.12283	8.2
247.21684	49.0
289.22742	100.0
290.23206	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03929	2.4
55.01866	3.2
55.05509	20.0
57.03444	2.6
57.07069	8.3
65.03940	1.9
67.05502	30.7
69.03412	5.6
69.07072	31.5
71.04994	2.3
71.08630	1.6
71.63471	1.9
79.05492	26.9
79.13441	1.5
81.03399	1.5
81.07056	79.4
82.07398	1.9
83.08620	11.0
84.04499	13.9
85.02895	3.5
85.06544	19.9
85.15089	1.6
91.05486	23.0
93.06474	2.7
93.07037	44.6
95.04955	4.7
95.08608	69.6
95.86659	1.4
97.02925	2.5
97.06548	6.9
97.10167	6.5
99.08095	10.4
103.03930	1.8
105.07032	41.0
106.58449	1.6
107.04921	2.2
107.08593	50.0
109.02882	3.6
109.06493	4.1
109.09459	2.8
109.10149	37.1
111.08067	5.0
113.09619	2.8
115.05403	2.3
117.07012	6.0
117.71529	1.4
119.08578	35.9
121.10143	31.5
123.08086	1.4
123.11690	18.4
125.09596	5.8
126.05511	4.5
128.06229	3.7
129.07014	3.7
131.08553	14.2
133.10126	33.4
135.04387	2.5
135.11691	25.3
137.13281	4.7
139.11179	3.6
141.07004	2.8
142.07751	3.0
143.07478	1.3
143.08534	7.9
145.06454	2.8
145.10117	17.3
147.11688	31.1
149.05933	1.5
149.09616	2.4
149.13252	20.4
151.14839	1.8
153.06958	2.4
155.08565	5.7
157.10162	7.3
159.08075	2.7
159.11728	18.3
161.13263	24.1
163.03899	5.6
163.14822	12.0
165.12828	1.6
168.06516	1.7
168.09363	5.7
169.10060	2.4
173.13281	14.6
175.14795	16.4
177.16397	4.5
179.14328	1.9
183.11690	15.4
187.07578	3.2
187.14867	7.5
189.16396	13.4
191.14229	1.7
191.18001	3.0
193.08528	4.7
193.15909	3.5
201.12733	5.2
201.16399	6.8
203.17979	2.8
207.17542	2.0
211.11249	3.4
215.17990	9.0
217.19450	1.8
221.09515	1.7
229.12300	14.1
229.19562	3.1
231.21150	2.8
233.19112	2.6
271.24197	20.4
289.11401	2.4
289.14447	9.0
289.25256	100.0
290.14758	1.7
290.25626	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	289.1547
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.89997	0.5
53.03933	0.9
53.64310	0.5
55.05481	2.2
55.58751	0.5
57.03421	1.2
59.44258	0.5
60.41168	0.5
65.03913	0.7
67.05497	2.5
69.07059	2.9
69.33116	0.6
70.06577	0.7
70.75178	1.1
70.75539	1.1
71.04957	0.8
77.44827	0.7
78.04768	0.5
79.05474	4.0
81.07056	6.4
83.08637	1.1
84.04484	1.5
91.05479	7.6
93.07049	3.8
94.06560	1.0
95.04958	1.2
95.08614	4.3
96.08102	2.2
97.06507	2.1
97.10178	0.6
103.05466	0.8
104.05008	0.7
105.07027	2.5
106.06527	1.8
107.04921	0.8
107.08593	3.4
108.08110	0.8
109.06519	0.7
109.10148	3.0
110.06044	0.8
116.04977	0.7
117.05759	0.9
117.06988	1.0
118.06529	5.2
119.08601	3.3
120.08104	12.1
121.10133	2.3
122.76925	0.5
123.11720	1.3
124.07588	9.7
125.09620	0.7
126.09135	1.0
128.06213	0.6
129.06992	1.3
131.08553	2.5
133.06505	0.6
133.10117	2.1
134.05994	6.3
135.08038	0.8
135.11700	1.2
136.07567	6.3
138.05476	2.3
138.09135	0.6
141.06972	0.8
142.07722	0.8
143.08549	1.6
145.10126	1.8
146.05995	3.9
147.06778	2.4
147.08009	0.6
147.11685	1.5
148.07556	8.3
149.13237	1.5
150.09151	0.9
153.06953	0.6
153.38614	0.6
155.08557	1.5
157.10162	1.5
159.08014	1.8
159.11688	2.0
161.13307	1.4
163.14832	0.8
164.07063	100.0
165.07520	2.2
166.08682	3.0
166.84761	0.6
168.09320	1.0
173.09583	0.7
173.13293	0.9
173.68597	0.6
175.14793	1.0
183.11707	3.4
189.16420	0.8
193.08672	2.8
200.10591	0.6
201.12811	1.0
201.16356	0.6
215.15439	2.0
216.10205	1.5
218.07234	1.5
228.10168	0.6
229.12292	2.2
229.15707	0.8
233.09615	0.8
233.11665	0.8
243.14882	5.2
245.16547	2.5
246.06747	0.6
253.13281	1.0
254.11809	1.2
261.09119	1.3
271.14407	20.8
271.16730	0.8
271.24139	1.0
272.14932	0.8
289.08578	2.1
289.15463	66.9
289.25098	4.9
290.15787	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1431
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
53.03947	2.7
67.05492	5.0
69.91670	9.8
70.63329	2.7
78.52195	2.2
79.05482	8.0
81.07050	9.3
82.06602	2.7
91.05478	16.5
91.18786	2.4
93.07058	7.9
95.04951	4.4
95.08606	3.1
98.21481	4.7
105.07027	17.6
107.08595	9.1
115.05479	3.1
117.06982	11.3
119.08569	12.8
121.06504	4.1
128.06223	6.6
129.07025	13.5
131.08568	31.3
133.06445	3.4
133.10110	4.8
135.77583	2.3
141.06978	12.2
142.07780	14.5
143.08577	20.9
144.09355	2.7
145.06479	9.3
145.10092	11.0
147.08095	3.1
149.06065	3.3
153.06978	11.0
155.08557	22.8
157.10083	17.1
158.10918	3.6
159.08078	27.6
159.11702	6.6
163.13992	2.3
167.08519	3.5
168.09341	22.0
169.10123	3.6
173.05984	4.4
173.09605	7.6
173.13222	14.3
178.16122	2.5
180.03929	2.3
181.06415	3.4
181.10094	2.9
183.11697	61.9
185.09557	2.6
185.13257	3.3
186.10387	4.2
187.07582	8.2
189.09071	2.1
193.10205	4.1
196.08821	3.2
201.12743	68.3
211.11162	13.9
229.12224	100.0
230.12579	4.2
247.13161	13.6
286.97781	2.4
289.16568	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	289.1431
Annotation	Chloranthalactone C
Peak:m/z	Relative Intensity
55.05512	3.3
56.59366	2.4
67.05495	3.8
69.03430	3.0
70.68808	8.6
79.05490	11.4
79.05890	2.3
81.03418	2.9
81.07055	13.9
91.05476	19.2
93.07030	8.0
95.04957	4.6
105.07036	22.9
107.04910	3.1
107.08571	10.0
109.06526	4.9
115.05438	9.8
117.07014	10.2
119.08557	11.2
119.09334	2.5
121.06486	4.5
128.06219	14.9
129.06998	25.1
131.08549	35.3
133.06439	6.1
133.10114	7.4
141.06964	18.6
142.07739	16.9
143.08540	34.0
144.09317	4.9
145.06483	5.5
145.10149	13.1
147.11627	2.7
149.05951	2.6
153.06944	19.6
154.07738	5.2
155.08536	33.6
157.10126	29.1
158.10818	2.9
159.08112	15.0
159.11711	6.8
161.05949	2.9
165.06905	2.4
167.08553	6.8
168.09328	37.7
169.06522	3.1
169.10081	8.9
170.10933	3.0
173.05975	8.2
173.09605	5.1
173.13318	12.2
175.07533	3.4
181.10037	4.2
183.11682	100.0
185.09586	6.0
185.13252	6.8
187.07565	12.6
187.11043	4.2
193.10187	4.6
196.08829	3.8
201.09084	3.4
201.12741	31.9
203.10678	4.1
211.11159	21.0
219.13795	3.3
229.12222	97.5
247.13292	5.2
289.14267	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	289.1432
Annotation	Hedyosumin D
Peak:m/z	Relative Intensity
50.54224	5.0
53.03950	9.0
55.05496	8.8
61.62695	5.2
63.99503	5.6
65.03947	6.1
67.05496	20.5
70.70837	18.0
73.85847	5.6
79.05488	33.0
81.07048	47.4
91.05475	75.5
93.07040	27.8
95.04989	13.0
95.08574	8.8
105.07026	49.1
107.04948	7.7
107.08602	18.0
115.05421	13.4
116.06229	9.6
117.07021	25.8
119.08561	24.7
121.06466	9.2
128.06227	49.0
129.07005	62.0
131.08562	74.4
133.10123	12.6
141.06993	61.2
141.11650	6.4
142.07776	57.4
143.08559	51.0
144.05611	7.3
144.09302	11.1
145.06479	17.7
145.10123	28.1
147.11632	7.2
153.06990	63.4
154.07764	18.5
155.08549	83.2
157.10110	47.8
158.10931	8.2
159.08058	30.9
159.11694	7.5
161.05968	7.1
167.08527	19.0
168.09340	84.1
169.10074	18.4
171.07994	8.7
172.08800	7.0
173.06036	6.8
173.09602	12.7
173.13268	8.9
183.11697	100.0
185.13232	7.3
187.07475	15.4
196.08916	9.8
201.12775	29.2
203.10715	7.0
206.36137	6.5
211.11116	13.4
214.31851	5.8
229.12233	57.4
289.14246	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	289.0707
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	0.8
55.05500	1.6
57.03429	0.9
57.07055	0.8
65.03919	0.7
67.01863	3.1
67.05494	2.8
68.99771	3.0
69.03422	2.2
69.07047	2.4
69.78230	2.5
75.45543	0.4
79.01826	0.6
79.05494	3.2
80.82124	0.5
81.03418	0.6
81.07052	6.1
83.01373	0.5
83.08624	1.1
85.02901	0.8
85.06528	0.9
89.03912	5.9
89.12235	0.4
89.68562	0.4
91.05479	2.9
93.07032	4.4
95.04967	1.5
95.08607	5.4
97.02879	1.2
97.06509	1.1
99.08077	0.4
101.15196	0.5
105.07030	4.9
107.04938	2.5
107.08581	4.2
109.06489	0.8
109.10149	3.0
111.00802	3.7
111.04462	2.6
114.01349	0.4
115.05418	0.5
117.03371	8.3
117.06984	0.7
119.08588	2.5
121.10161	2.1
123.04417	4.4
123.11702	1.4
127.03921	0.6
127.85153	0.4
128.06189	0.7
129.01842	0.6
129.06989	1.8
131.04915	0.6
131.08569	3.0
133.10130	2.3
135.04410	17.8
135.08112	0.4
135.11699	2.2
137.05963	1.0
137.13248	0.9
139.03879	1.5
141.06969	1.4
142.07784	2.1
143.08556	2.7
145.02831	11.5
145.03978	0.7
145.06490	0.9
145.10118	2.0
147.11674	1.9
149.05894	0.5
149.13228	1.8
151.03847	1.3
153.01817	100.0
153.06958	1.4
154.02174	0.7
155.08543	2.8
156.42050	0.4
157.10162	2.5
159.04407	1.1
159.08026	1.2
159.11710	1.0
161.05949	0.9
161.13249	2.2
163.03896	62.0
163.14809	0.5
164.04231	0.7
167.08482	0.5
168.09305	2.7
169.10161	0.7
171.02892	5.5
173.06015	0.6
173.09575	0.6
173.13246	1.8
175.14740	0.9
177.05411	0.6
179.03391	5.7
183.11681	6.2
185.09679	0.6
185.13258	0.5
186.05498	0.9
187.03886	1.8
187.07527	0.6
189.16290	0.5
193.08592	1.2
201.09322	0.4
201.12697	1.6
203.10693	0.5
205.04974	1.6
211.11133	1.7
215.18001	0.7
229.04988	0.7
229.12202	4.9
231.20981	0.4
245.11661	0.7
247.05954	0.5
253.04756	0.5
271.06052	2.1
271.24149	0.9
289.07047	67.7
289.25192	4.9
290.07404	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03940	1.2
55.01869	1.2
55.05514	1.5
56.07985	0.6
56.96568	5.3
57.03439	1.0
59.05008	1.0
61.02917	1.8
67.05499	1.5
69.03423	3.9
69.07042	0.8
70.06598	2.9
70.39677	1.5
70.98129	0.9
71.04984	2.5
71.06924	0.6
72.08155	0.8
73.02905	1.3
74.97616	0.5
79.05479	1.5
80.65367	0.6
81.03415	2.6
81.04540	2.2
81.07068	2.7
82.05314	0.9
83.04981	1.6
84.04491	1.0
84.08144	2.0
85.02904	7.7
85.06541	0.8
86.09709	2.9
87.04496	0.7
91.05484	1.3
93.07031	0.8
93.40601	0.5
95.04979	0.6
95.06072	3.0
95.08602	1.8
97.02892	4.7
97.06512	1.2
98.97575	3.0
99.04453	1.7
105.07018	0.7
109.02879	1.3
110.97581	0.5
111.04419	1.0
111.05569	6.0
112.68050	0.5
116.98632	2.4
119.01921	1.0
120.02505	0.6
120.08061	0.6
121.10114	0.9
123.05564	6.1
125.02387	2.8
127.03916	100.0
128.02271	1.0
128.04251	1.9
128.52521	0.8
128.98593	0.6
131.01762	0.7
134.99684	2.1
139.03917	1.8
141.05490	1.2
141.06563	10.3
143.00218	0.8
145.04958	1.0
145.06612	0.6
147.04460	1.1
149.01192	0.8
151.03951	0.5
153.01868	1.9
155.07141	0.7
157.06502	1.1
158.99681	0.9
161.01219	0.7
171.02989	0.9
173.12846	0.7
175.12117	0.8
177.00746	1.9
179.08302	0.6
180.03563	1.3
183.01685	0.8
185.04488	0.6
189.00653	0.8
189.04166	0.6
200.04655	0.9
201.00735	0.8
207.01820	1.7
209.12860	0.8
211.03778	0.6
215.02341	0.7
217.05122	0.7
221.12914	2.1
229.05093	1.0
233.03358	1.3
238.72604	0.6
239.13942	3.2
241.15483	1.6
257.04382	0.7
271.16541	9.2
289.06854	2.6
289.12491	5.8
289.17725	2.8
290.17554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2003
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
51.02375	1.2
53.03934	3.0
55.01858	1.5
55.05505	9.3
57.03434	1.2
57.84851	1.1
65.03919	1.8
67.05498	15.5
69.03416	2.1
69.07047	4.6
69.94680	6.8
71.04974	4.5
71.13092	0.9
79.05484	23.4
79.22179	1.0
81.03413	1.8
81.07048	23.0
83.04968	2.5
85.06540	6.5
86.65953	1.1
91.05464	23.2
91.06003	2.1
93.07034	77.4
95.04951	4.5
95.08598	43.9
97.06509	3.2
100.28356	1.1
105.07017	32.8
107.04932	2.6
107.08588	25.2
109.06525	3.3
109.10147	7.0
111.08089	3.6
113.09649	3.4
115.05444	1.9
117.07008	4.3
119.08566	23.3
121.06525	6.6
121.10132	100.0
123.08074	6.0
125.09623	2.9
128.06190	2.6
129.06981	6.7
131.08563	17.7
133.06490	2.3
133.10118	16.0
135.08034	9.0
135.11650	6.8
137.09598	5.2
139.07538	1.4
141.06984	2.1
142.07802	3.7
143.08560	15.5
144.09343	1.8
145.06422	1.3
145.10110	20.6
147.08051	3.9
147.11678	10.6
149.09628	4.9
149.13266	4.2
151.11203	2.1
153.06924	1.6
154.07758	1.8
155.08534	7.1
156.09384	2.8
157.10118	14.5
159.10431	2.1
159.11688	22.0
161.09595	9.6
161.13226	4.0
163.11166	4.2
165.06989	2.3
165.09126	2.3
165.12718	1.0
167.08568	1.6
169.10112	8.2
170.10893	2.1
171.11633	10.6
173.09616	4.1
173.13255	5.5
175.11111	8.0
177.09171	1.2
177.12691	7.9
179.10623	2.7
181.10139	4.2
182.10796	1.3
183.11705	5.5
185.13246	11.5
187.11238	3.7
187.14867	3.1
189.12679	2.2
191.10658	1.9
193.12195	1.2
194.10907	2.4
195.11736	6.1
196.12454	2.9
197.13242	2.1
198.14192	1.4
199.14790	7.7
201.16362	4.8
209.13240	8.1
211.12817	1.6
211.14795	24.7
213.12764	3.3
213.16336	1.1
221.13251	1.2
223.14767	1.1
225.16350	5.5
227.14343	3.6
227.17952	4.5
229.15814	13.8
231.13776	2.4
241.19472	10.1
241.35492	1.3
243.17520	3.8
243.21083	1.6
245.19084	1.8
251.17915	8.2
259.20581	2.1
269.18973	29.6
287.05463	8.3
287.16888	4.5
287.20074	68.4
288.20410	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	287.2006
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
53.03929	1.2
53.35899	1.0
55.05507	8.9
56.91022	0.9
57.93950	0.9
63.34272	1.0
67.05505	11.1
69.03413	1.1
69.07065	4.9
69.29390	8.2
69.29794	2.0
71.04985	2.8
72.05929	0.9
79.05489	21.5
81.07056	19.8
83.04964	1.3
85.06548	5.2
86.38760	0.9
89.10619	0.9
91.05485	17.1
93.07043	70.0
94.07417	1.0
95.04980	2.4
95.08606	40.5
95.57262	0.9
97.06539	3.6
99.04491	0.9
99.08098	1.3
103.05438	1.8
105.07030	28.5
107.04914	1.0
107.08592	20.5
109.06522	2.8
109.10159	6.7
111.08101	3.0
113.09646	2.9
113.78900	0.9
115.05450	1.6
117.07015	5.3
119.08585	18.0
121.06529	5.6
121.10143	100.0
122.10487	1.3
122.16022	0.9
123.08078	3.9
125.09624	1.9
125.42734	0.9
128.06236	2.9
129.07013	4.3
130.07832	1.5
131.08566	13.6
133.06512	1.4
133.10149	9.6
135.08047	9.2
135.11662	6.8
137.09612	3.8
137.60564	0.9
139.07530	2.1
141.06956	1.5
142.07768	4.8
143.08574	11.0
144.09348	1.5
145.10120	14.6
147.08046	3.4
147.11693	8.1
149.09612	4.2
149.13255	3.3
151.11169	2.4
153.01921	1.4
155.08528	7.4
156.09357	1.5
157.10135	11.4
159.08043	1.8
159.11702	16.1
161.09637	6.8
161.13277	3.7
163.11208	3.0
165.09129	1.2
167.08577	1.3
168.09247	1.0
169.10173	7.6
170.10963	1.5
171.08073	1.6
171.11708	6.9
173.09685	3.4
173.13300	4.9
175.11163	5.5
177.12733	6.7
179.08614	1.4
179.10768	1.2
180.09311	1.1
181.10162	2.6
183.11749	5.0
185.13234	9.3
187.11133	1.7
187.14850	2.7
189.12727	2.3
191.10580	1.2
193.12338	1.3
195.11671	5.1
196.12547	3.0
197.13293	2.5
199.11137	1.2
199.14893	5.6
201.12794	2.3
201.16422	4.3
201.87688	1.0
209.13319	5.2
211.14806	20.2
212.15450	1.1
213.12793	2.8
217.15910	1.3
223.14862	2.1
225.16444	4.5
227.14372	2.7
227.17999	3.5
229.15863	7.8
231.13919	2.1
241.15881	1.5
241.19505	8.2
243.17534	3.2
243.21211	1.6
245.13316	1.2
251.17903	8.1
257.13297	1.7
259.20602	1.6
269.19006	21.5
272.15488	1.4
287.05487	6.7
287.16656	3.5
287.20093	51.3
288.20209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2005
Annotation	6-Dehydrotestosterone
Peak:m/z	Relative Intensity
53.03936	2.7
53.65725	1.4
53.73489	1.5
55.01860	1.7
55.05513	11.0
57.03452	2.0
60.15429	1.3
63.97281	1.5
67.05503	26.7
69.03429	3.1
69.07059	11.4
71.04990	4.3
71.64188	2.5
71.71101	1.5
76.03997	2.1
79.05489	26.7
81.07056	50.1
83.08617	3.6
85.06558	4.1
91.05475	26.8
93.07043	79.3
95.04976	6.0
95.08609	100.0
97.06535	9.4
97.10168	2.9
99.08139	1.6
105.07027	54.0
107.04981	1.7
107.08598	50.3
107.50347	1.6
109.06519	5.9
109.10149	28.0
111.08069	7.7
117.07026	6.9
119.08584	32.2
121.02866	2.4
121.06512	5.3
121.10145	51.8
123.08095	5.3
123.11723	2.6
125.05989	3.2
125.09641	3.3
128.06229	3.0
129.06995	4.6
130.07834	2.2
131.08566	25.2
133.06551	2.4
133.10136	25.8
135.08064	26.7
135.11676	20.0
137.09660	4.5
139.07559	7.2
141.06958	2.7
142.07802	3.3
143.08554	15.9
144.09354	2.9
145.10123	26.8
146.10986	1.8
147.08069	5.5
147.11679	26.0
149.09613	7.8
149.13242	8.5
151.11182	3.2
153.01825	2.1
153.09096	4.6
155.08546	7.3
156.09367	3.4
157.10121	16.2
159.08038	2.6
159.11703	26.6
161.09662	7.6
161.13252	8.9
163.07594	2.2
163.11217	3.5
165.06956	1.5
165.09175	2.9
167.08574	2.4
169.10114	9.2
171.11673	13.8
173.09660	5.1
173.13272	14.0
175.11200	9.4
175.14838	2.1
177.09044	3.2
177.12769	2.7
179.10689	3.4
180.09439	1.6
181.10074	3.5
183.11726	6.8
185.09669	1.6
185.13248	14.5
187.11192	4.1
187.14862	5.4
189.12790	5.3
190.13188	2.1
191.10681	3.2
193.10257	1.6
193.12273	3.3
195.11646	10.0
195.54929	1.5
196.12381	2.0
197.13214	2.8
199.11215	2.3
199.14822	13.2
201.12852	2.7
201.16475	5.0
203.14340	2.2
205.12338	2.6
209.13239	7.5
211.14804	21.5
213.12796	5.3
213.16451	5.8
219.24988	1.6
225.16490	2.9
227.14288	3.7
227.17879	7.8
229.15854	9.8
231.13840	5.2
241.19511	35.1
243.17725	1.7
243.21152	3.2
245.19110	2.4
251.18016	14.1
259.20636	4.1
269.19009	57.4
287.05518	25.8
287.08493	2.6
287.20108	94.0
288.20551	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	287.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
53.35899	1.0
55.05507	8.9
56.91022	0.9
57.93950	0.9
63.34272	1.0
67.05505	11.1
69.03413	1.1
69.07065	4.9
69.29390	8.2
69.29794	2.0
71.04985	2.8
72.05929	0.9
79.05489	21.5
81.07056	19.8
83.04964	1.3
85.06548	5.2
86.38760	0.9
89.10619	0.9
91.05485	17.1
93.07043	70.0
94.07417	1.0
95.04980	2.4
95.08606	40.5
95.57262	0.9
97.06539	3.6
99.04491	0.9
99.08098	1.3
103.05438	1.8
105.07030	28.5
107.04914	1.0
107.08592	20.5
109.06522	2.8
109.10159	6.7
111.08101	3.0
113.09646	2.9
113.78900	0.9
115.05450	1.6
117.07015	5.3
119.08585	18.0
121.06529	5.6
121.10143	100.0
122.10487	1.3
122.16022	0.9
123.08078	3.9
125.09624	1.9
125.42734	0.9
128.06236	2.9
129.07013	4.3
130.07832	1.5
131.08566	13.6
133.06512	1.4
133.10149	9.6
135.08047	9.2
135.11662	6.8
137.09612	3.8
137.60564	0.9
139.07530	2.1
141.06956	1.5
142.07768	4.8
143.08574	11.0
144.09348	1.5
145.10120	14.6
147.08046	3.4
147.11693	8.1
149.09612	4.2
149.13255	3.3
151.11169	2.4
153.01921	1.4
155.08528	7.4
156.09357	1.5
157.10135	11.4
159.08043	1.8
159.11702	16.1
161.09637	6.8
161.13277	3.7
163.11208	3.0
165.09129	1.2
167.08577	1.3
168.09247	1.0
169.10173	7.6
170.10963	1.5
171.08073	1.6
171.11708	6.9
173.09685	3.4
173.13300	4.9
175.11163	5.5
177.12733	6.7
179.08614	1.4
179.10768	1.2
180.09311	1.1
181.10162	2.6
183.11749	5.0
185.13234	9.3
187.11133	1.7
187.14850	2.7
189.12727	2.3
191.10580	1.2
193.12338	1.3
195.11671	5.1
196.12547	3.0
197.13293	2.5
199.11137	1.2
199.14893	5.6
201.12794	2.3
201.16422	4.3
201.87688	1.0
209.13319	5.2
211.14806	20.2
212.15450	1.1
213.12793	2.8
217.15910	1.3
223.14862	2.1
225.16444	4.5
227.14372	2.7
227.17999	3.5
229.15863	7.8
231.13919	2.1
241.15881	1.5
241.19505	8.2
243.17534	3.2
243.21211	1.6
245.13316	1.2
251.17903	8.1
257.13297	1.7
259.20602	1.6
269.19006	21.5
272.15488	1.4
287.05487	6.7
287.16656	3.5
287.20093	51.3
288.20209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73611	1.3
53.03929	1.9
55.01857	2.7
55.05502	3.4
56.96560	10.3
57.03434	11.7
57.07062	1.6
60.05391	1.4
60.05647	14.6
61.02912	2.9
66.19051	1.1
67.05506	8.6
68.88741	1.4
69.03439	8.7
69.07063	2.3
70.06591	73.2
70.35499	4.1
70.35918	2.4
71.04989	8.1
72.08155	15.8
73.02915	1.8
73.06536	1.7
79.05470	2.8
81.03412	2.5
81.07056	8.0
83.04921	1.4
84.04504	1.6
84.08131	4.8
84.64542	1.1
85.02901	10.6
85.06535	17.0
86.09700	5.5
91.05466	4.0
93.07054	1.6
95.04967	20.6
95.06040	1.4
95.08607	1.6
97.02873	5.6
97.03448	1.3
97.07641	3.3
98.06004	1.5
98.97595	3.5
98.98504	2.1
99.04446	4.2
105.07011	1.9
107.04959	2.3
107.08577	1.3
108.05204	1.4
109.02879	2.0
109.06528	3.3
109.32259	1.2
112.07594	5.5
112.08720	14.4
113.02374	4.8
113.06002	81.1
114.10303	4.0
115.08677	6.2
116.07091	20.5
116.98642	3.3
119.01901	2.8
121.02863	1.6
121.06474	2.4
123.04396	2.1
124.07606	3.1
125.02301	1.8
125.07099	5.9
127.03905	4.7
128.98618	1.4
129.10222	2.0
130.08685	2.9
130.09740	6.1
133.63736	1.3
134.99657	2.1
135.04384	2.3
136.07529	1.5
137.05983	6.4
145.10049	1.7
146.99745	1.6
153.10207	1.7
158.09238	25.8
159.37662	1.4
161.01190	3.1
163.03947	7.4
163.12358	1.4
166.12256	4.2
171.07683	3.0
175.11909	31.6
177.00726	1.6
191.02281	1.5
201.00671	1.6
207.05704	1.3
208.14540	2.1
209.12878	4.0
215.02226	1.6
225.17169	1.8
227.05450	4.8
227.13927	4.4
228.12354	3.1
233.03310	1.5
241.07002	10.8
252.13507	5.9
269.15955	4.1
270.14539	5.3
277.07947	1.5
287.05542	4.8
287.11050	16.0
287.17139	100.0
288.17429	3.2
288.20340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01866	7.6
55.05500	8.9
56.96564	11.7
57.03425	8.4
58.06590	3.4
60.05632	8.0
61.02913	5.4
63.00018	4.7
67.05505	22.0
67.63699	3.1
69.03421	7.3
69.07064	6.1
70.06590	43.9
70.65598	3.6
70.98137	5.5
71.04982	8.8
71.63844	4.7
72.08152	17.3
79.05494	23.4
81.03407	7.4
81.07053	37.8
83.04954	7.3
84.08137	15.1
85.02892	14.9
85.06528	5.9
86.09692	16.5
91.05473	29.1
93.07049	27.7
95.04981	18.0
95.08593	24.0
96.06875	4.0
97.02906	6.1
97.06506	6.9
98.97628	4.4
98.98459	7.3
99.04434	7.0
105.07041	39.8
107.04926	16.1
107.08589	29.6
109.02815	4.0
109.06503	16.1
109.10128	8.0
110.03675	5.7
111.04453	11.6
112.08687	6.5
113.05988	9.8
114.10289	4.6
115.05499	3.8
116.07113	5.1
116.98622	6.1
117.07022	16.9
119.04972	5.0
119.08581	33.3
121.06517	14.2
121.10120	15.3
125.02309	5.8
125.05994	21.1
125.07088	10.3
125.09612	4.8
126.05528	7.0
127.03886	4.2
128.06238	4.7
129.06999	10.5
130.09790	4.0
131.08569	37.8
133.10136	14.1
135.04410	13.4
135.08028	7.2
135.11664	9.9
137.05974	16.3
139.02689	4.3
139.03828	4.4
141.06943	6.3
142.18147	3.8
143.08594	9.0
145.10123	36.6
147.11720	7.6
149.13304	5.7
151.03864	23.8
153.05437	4.5
155.08528	29.5
156.09261	4.5
157.10127	15.8
159.07997	13.2
159.11688	26.2
161.13240	14.1
163.03885	27.5
163.07533	5.7
165.05534	6.8
167.07109	5.7
167.08490	6.9
169.10144	11.0
171.07614	9.8
171.11661	13.1
173.13232	32.3
175.11835	12.6
177.05461	11.8
182.10893	6.2
185.13222	7.8
187.14775	19.9
189.12541	5.1
191.14278	7.4
195.06479	5.7
197.13254	32.7
203.14288	6.0
209.38847	3.9
213.07550	4.6
215.14325	53.4
216.14481	4.2
227.05336	6.0
233.03375	4.4
233.15343	31.8
241.07062	6.7
251.16428	52.5
266.06378	3.6
269.10208	4.0
269.17551	100.0
287.05429	13.4
287.11148	28.9
287.16278	11.7
287.20096	3.8
287.23492	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	287.1124
Annotation	Methylarbutin
Peak:m/z	Relative Intensity
53.03952	3.9
55.01876	7.0
55.05507	4.5
56.96561	15.9
57.03438	13.4
61.02922	11.5
63.00047	3.8
65.03937	10.1
67.05491	5.5
67.07822	2.2
69.03432	7.0
69.07050	3.0
70.06596	15.3
70.45853	10.6
71.04978	6.0
72.08170	6.0
73.02919	3.1
75.04486	9.3
79.05494	19.5
81.03419	8.1
81.07067	10.6
83.04970	5.3
84.04500	2.9
84.08147	8.3
85.02898	9.1
86.09711	6.1
91.05488	11.2
93.03391	4.0
93.07037	4.3
95.01340	5.4
95.04977	9.3
97.02895	10.0
98.97587	4.2
98.98473	5.2
99.04448	3.0
105.07011	2.9
107.04964	29.7
107.08603	4.0
109.02883	8.3
109.06506	6.7
110.03667	26.0
111.00816	3.2
111.04446	24.2
116.07127	5.6
116.98624	3.8
119.01887	2.5
119.08603	3.0
121.02912	5.1
121.06545	16.8
121.10158	2.7
122.03633	5.3
123.04455	8.2
125.02359	7.4
125.05997	100.0
127.03928	5.5
129.10222	3.9
133.02841	14.4
134.99690	2.8
135.04405	35.5
137.02359	5.1
137.05969	13.1
139.03905	11.6
141.05486	5.2
146.99600	2.7
149.06010	24.3
150.03133	8.3
151.03912	89.9
151.05017	7.9
151.07532	3.3
152.04749	3.3
153.01811	2.8
153.05499	8.6
161.01250	2.9
163.03889	23.7
163.07561	8.2
165.05481	29.0
167.03436	5.9
167.07045	21.6
171.07805	2.8
171.90688	2.6
177.05472	39.9
177.06912	4.0
180.04137	6.3
181.08687	3.2
186.77956	2.7
191.03392	10.7
195.06537	20.7
195.31029	3.1
199.09650	5.4
200.30925	2.6
213.07614	13.3
225.07605	7.7
237.04025	5.4
241.07118	6.2
242.00861	3.0
269.10425	6.4
269.15265	3.0
287.05676	3.1
287.08224	5.7
287.11121	50.6
287.16202	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	287.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.24481	0.8
55.01856	1.1
55.05496	1.6
57.03434	2.2
57.07060	2.7
67.05493	3.2
67.33882	0.8
69.03419	2.3
69.07066	1.3
69.75555	1.7
69.75964	4.7
70.06590	4.6
71.04983	1.2
76.73254	0.9
78.04703	1.2
79.05491	9.7
81.03400	2.0
81.07063	3.7
83.08600	1.3
84.08123	1.5
85.02883	1.3
85.06544	1.0
86.09694	2.0
91.05463	4.7
93.07051	3.3
95.04974	4.7
95.08607	1.4
97.02859	0.9
101.13303	0.9
103.05471	8.4
105.07037	7.5
106.04198	1.3
107.04947	57.6
107.08605	1.9
108.05273	2.1
109.02843	1.5
109.06522	3.1
109.10184	1.0
111.04421	1.0
112.08665	1.1
113.06009	1.0
114.09163	1.5
115.05448	3.9
116.07077	1.3
117.07001	2.4
119.04958	1.0
119.08604	2.1
120.05688	2.3
121.02874	2.9
121.06503	2.7
123.04465	3.2
124.05177	2.1
125.05998	1.5
131.04936	2.1
133.06474	2.2
133.10071	1.0
135.08046	15.5
137.05946	6.5
137.09627	1.1
139.03938	1.1
141.07086	1.1
146.94217	0.9
147.04425	2.4
149.05898	1.6
151.03894	0.9
151.07545	1.6
152.04651	2.1
153.01849	2.6
154.06229	1.9
163.07533	39.6
165.05545	1.0
167.07030	100.0
168.07695	1.6
180.07828	4.2
181.06552	1.1
193.08578	2.8
195.08310	1.6
195.10143	27.7
211.07906	1.0
211.09634	4.5
213.05388	1.5
213.11206	28.7
223.07585	2.1
227.06955	1.0
227.10603	2.0
231.06528	1.4
240.07831	1.3
255.10162	3.2
256.11099	1.1
259.06076	1.0
270.11960	1.3
287.05499	21.7
287.10248	8.8
287.12979	2.1
287.17212	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.36901	0.2
55.05488	0.3
61.08284	0.2
61.21070	0.2
63.54157	0.2
67.01860	1.6
67.05492	0.6
68.99783	1.2
69.03426	0.2
69.07052	0.6
71.53455	0.2
79.05489	0.9
81.03396	0.2
81.07062	1.1
89.03922	0.6
91.05481	0.4
93.07030	0.6
95.04974	0.3
95.08591	1.0
97.06518	0.7
103.05440	0.3
105.07006	1.2
105.33274	0.2
107.04928	0.7
107.08572	0.8
109.10191	0.5
109.66928	0.2
111.61307	0.2
117.03383	0.9
117.07020	0.4
118.24056	0.2
119.08544	0.8
121.02844	0.3
121.10135	0.6
123.11736	0.3
129.01848	0.3
129.07002	0.4
130.89392	0.2
131.08533	0.5
133.10129	0.7
135.04408	4.8
135.11673	0.3
137.02359	1.5
139.05415	0.3
141.94795	0.2
143.08562	0.3
145.06476	0.3
145.10138	0.6
147.11685	0.6
149.13229	0.3
153.01822	12.0
157.10097	0.3
159.11681	0.7
161.02316	1.5
161.13295	0.3
165.01965	0.2
171.02933	1.0
171.04286	0.2
171.11581	0.3
173.13213	0.3
179.03519	0.4
185.05913	0.3
191.07011	0.5
191.10590	0.2
199.03851	0.3
201.16295	0.9
213.05461	0.8
213.16321	0.4
223.76048	0.2
231.06389	0.4
241.05000	1.3
241.13226	0.2
259.05820	0.3
260.52878	0.2
269.04459	0.7
269.12839	0.5
269.22620	0.6
287.05484	100.0
287.23566	1.7
288.05823	2.6
293.65234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01876	1.3
55.05506	1.9
56.05856	0.9
56.96297	1.2
56.96565	22.2
57.03428	1.7
60.05624	1.1
61.02916	2.5
61.03985	0.9
63.00049	1.4
67.05503	2.8
69.03431	8.0
70.06593	13.4
71.01336	1.0
71.04994	2.2
71.05374	0.8
71.06923	2.4
71.29173	2.0
72.08155	8.3
73.02931	1.9
79.05495	2.3
81.03409	2.0
81.07043	2.8
83.04971	2.0
83.06098	1.7
84.04504	1.1
84.08138	6.5
84.96027	2.5
85.02908	9.0
85.06535	3.9
86.09708	3.3
88.99158	1.3
89.03918	1.7
91.05460	2.5
95.04974	1.6
95.06103	1.3
95.08637	1.3
97.02882	4.3
97.06549	1.3
98.97590	5.0
99.04441	2.8
101.00865	1.1
104.01272	0.9
105.07015	1.4
106.06558	2.3
107.04921	1.5
107.06920	1.9
109.06513	2.8
109.10131	1.0
110.07173	10.6
111.04434	1.4
111.07500	4.5
111.11684	0.9
112.05097	1.5
112.07610	4.6
112.08759	2.3
113.02393	2.6
113.06012	3.8
113.07925	1.3
115.03887	1.3
116.07129	2.4
116.98611	3.9
117.03282	1.3
119.01922	4.1
121.01692	1.3
121.02845	1.0
121.07657	1.3
124.07604	2.7
125.02419	1.6
125.07911	2.6
127.03878	2.3
128.98611	1.0
129.10243	1.8
130.08630	2.2
131.01881	1.3
134.99684	2.8
135.04440	2.8
137.05972	3.3
139.00685	1.3
140.07074	1.7
143.00157	1.1
143.01889	2.5
145.01752	1.1
146.99664	1.1
149.01228	1.2
153.01952	1.3
155.01921	1.4
157.01720	2.1
158.09262	1.6
158.99702	1.3
161.01233	2.8
161.02966	2.2
163.03870	7.8
163.12346	1.7
164.12666	5.3
164.98511	0.9
165.07906	4.7
166.03236	8.2
167.06995	1.2
173.01299	2.4
173.02963	2.3
174.04408	2.9
175.02831	5.6
175.11945	2.9
177.00656	1.2
182.99695	2.1
185.06511	1.3
186.04379	2.7
187.04558	1.4
189.00714	2.2
190.95390	2.1
193.03851	2.8
197.06635	1.1
199.02817	1.2
199.08113	1.0
201.00711	7.9
201.04314	1.3
202.76505	1.1
203.04010	2.4
204.05463	3.7
206.08203	1.2
207.01653	1.3
208.96463	1.6
215.02318	1.3
215.05869	1.0
219.01686	7.5
219.05240	1.4
221.05025	10.9
221.06645	0.9
227.05533	2.5
228.05551	1.8
233.03313	2.4
237.02824	3.2
237.14366	1.2
241.04930	1.5
241.07120	6.5
244.06577	1.2
245.03207	1.4
246.06436	1.0
249.02773	1.4
255.15424	1.7
263.00833	1.3
270.07834	1.9
287.05594	3.4
287.11023	100.0
287.17548	10.2
288.11386	3.1
291.03854	1.8
305.11224	1.3
309.05124	1.3
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	Fisetin
Peak:m/z	Relative Intensity
55.01863	0.4
55.05499	0.5
65.03918	0.3
67.01862	0.3
67.05493	0.7
68.99786	2.5
69.07055	0.5
69.73536	0.2
71.59808	0.2
71.65627	0.6
79.05476	1.0
81.03397	0.4
81.07041	0.8
91.05469	0.6
93.07058	0.4
95.04955	0.5
95.08599	0.4
97.06529	0.5
103.05470	0.3
105.03379	0.9
105.04516	0.2
105.07017	0.6
107.04943	1.3
107.08615	0.3
109.02864	0.8
109.10138	0.4
111.00804	1.4
111.04463	0.5
117.06976	0.4
119.04933	0.3
119.08541	0.6
119.33256	0.2
121.02859	6.7
121.03855	0.4
121.10136	0.3
124.85421	0.2
129.06999	0.8
130.24232	0.2
131.08578	0.3
132.05525	0.2
133.02838	0.9
133.06529	0.2
133.10133	0.4
135.04408	0.3
135.11653	0.3
137.02325	2.5
141.06989	0.2
143.08611	0.2
145.06500	0.5
145.10107	0.5
147.04382	1.1
147.11620	0.2
153.01819	10.8
157.06439	1.5
157.10097	0.3
159.11765	0.3
161.02364	0.2
161.05936	0.5
161.13239	0.3
164.07019	0.2
165.01817	3.7
171.04413	0.8
171.08063	0.2
171.11687	0.2
173.05896	0.2
173.13289	0.3
175.03983	0.2
183.02885	1.4
185.05943	1.3
189.05379	0.3
189.16234	0.2
197.05873	0.2
203.03461	0.3
203.07065	0.3
208.58450	0.2
213.05481	3.4
227.07063	0.3
227.10677	0.3
229.05017	0.5
231.06528	1.4
241.04932	1.8
242.05844	0.3
258.05203	2.1
259.06064	0.8
269.04437	0.5
269.22461	0.3
287.05478	100.0
287.23672	0.8
288.05771	3.0
304.75259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83672	0.2
53.03941	0.2
55.01862	0.3
55.05497	0.5
55.94827	0.2
65.03928	0.5
67.01846	0.3
67.05515	0.9
68.99791	2.7
69.03426	0.6
69.07057	0.6
71.04984	0.2
71.23874	0.4
79.05492	1.8
81.03407	0.6
81.07049	1.8
83.04963	0.2
83.08596	0.4
85.02891	0.3
85.06504	0.2
86.09695	0.2
91.05466	0.8
93.07057	0.9
95.04969	0.9
95.08616	1.2
97.02859	0.2
97.06507	0.7
98.98423	0.3
103.05428	0.3
105.03368	1.2
105.07030	1.2
107.04947	1.6
107.08581	0.8
109.02864	1.1
109.10136	0.8
111.00806	2.0
111.04446	0.6
111.08001	0.2
115.05461	0.4
117.06993	0.6
119.04906	0.3
119.08600	0.9
121.02866	6.5
121.03856	0.3
121.06505	0.4
121.10126	0.6
123.04395	0.3
123.11661	0.2
128.06259	0.5
129.06970	0.5
131.08568	0.8
133.02855	1.1
133.10121	0.6
135.04437	0.5
135.11662	0.4
137.02328	2.2
137.05972	0.5
141.06970	0.5
143.08524	0.4
145.06468	0.8
145.10112	0.8
147.04398	1.6
147.11700	0.5
149.05913	0.2
149.13232	0.3
153.01825	10.7
157.06491	1.5
157.10156	0.4
159.11688	0.8
159.59773	0.2
161.05972	0.6
161.13232	0.2
162.05400	0.2
165.01828	3.7
166.02631	0.2
167.07028	0.3
167.08551	0.3
169.06464	0.2
171.04407	0.5
171.11627	0.4
171.47849	0.2
173.06042	0.3
173.13371	0.3
175.03889	0.4
175.14780	0.2
183.02827	1.3
185.05934	1.3
187.14833	0.4
191.03481	0.3
191.06970	0.3
195.08102	0.3
197.06003	0.3
199.14708	0.2
201.16441	0.2
203.07028	0.3
213.05457	3.5
213.08823	0.2
213.16397	0.3
215.17937	0.2
216.04269	0.2
223.07600	0.3
227.07111	0.4
227.10532	0.2
229.04968	0.5
231.06465	1.6
241.04945	1.5
243.06439	0.3
255.06769	0.2
255.09430	0.2
258.05264	2.4
259.06049	0.8
269.04428	0.5
269.08264	0.2
269.12521	0.3
269.22739	0.3
272.06577	0.2
287.05490	100.0
287.23633	2.0
288.05869	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01864	0.3
65.03922	0.4
67.01843	0.3
67.05485	0.1
68.99435	0.2
68.99786	2.4
69.03402	0.3
69.41819	0.5
69.42249	0.7
79.05470	0.6
80.57993	0.1
81.03393	0.4
91.05465	0.2
95.01344	0.1
95.04943	0.4
97.02901	0.1
103.05438	0.3
105.03375	1.1
107.04952	1.3
109.02876	0.6
111.00803	1.6
111.04428	0.5
115.05439	0.2
117.06962	0.1
119.04878	0.2
121.02857	6.8
121.03834	0.2
121.06477	0.2
127.03882	0.3
128.06154	0.2
129.06985	0.4
131.04936	0.2
133.02846	0.8
135.04405	0.4
135.07988	0.2
137.02321	2.3
137.05959	0.3
139.05359	0.1
141.06979	0.3
145.06448	0.6
147.04391	1.7
149.05945	0.1
151.07501	0.2
152.06241	0.2
153.01819	11.3
154.02176	0.2
157.06479	1.7
161.06024	0.3
163.03880	0.2
163.07516	0.3
165.01814	3.7
165.06915	0.2
166.02588	0.1
167.08575	0.5
169.06393	0.2
171.04407	0.8
175.03902	0.3
175.07581	0.3
183.02861	1.9
185.05966	1.0
189.05460	0.2
191.03384	0.2
194.02075	0.2
195.08055	0.8
197.05962	0.6
203.03444	0.2
203.07022	0.4
211.07390	0.2
212.04655	0.1
212.08342	0.1
213.05457	3.3
216.04144	0.1
217.04936	0.3
223.44057	0.1
227.10695	0.8
229.04784	0.3
231.06493	1.3
232.46719	0.1
241.04930	1.8
243.06485	0.2
245.04541	0.2
255.10115	0.6
258.05225	2.4
259.06015	1.0
269.04517	0.4
287.05472	100.0
288.05826	2.6
292.93378	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01867	0.2
65.03918	0.3
67.01859	0.3
68.99793	2.3
69.03414	0.4
70.05485	0.7
79.05489	0.8
81.03408	0.5
81.07044	0.1
91.05432	0.2
94.04265	0.1
95.04955	0.5
105.03398	1.0
105.07019	0.2
107.04944	1.5
109.02871	0.9
111.00804	1.5
111.04418	0.6
117.06953	0.2
119.04913	0.3
121.02865	8.1
127.03941	0.2
128.06212	0.3
129.07014	0.6
131.04890	0.2
133.02831	0.9
135.04407	0.4
136.07611	0.2
137.02328	2.0
137.87505	0.1
139.05339	0.2
141.07007	0.3
145.06483	0.5
147.04410	1.5
153.01825	12.7
154.02130	0.3
157.06505	1.4
161.05984	0.5
164.07079	0.3
165.01833	3.5
171.03041	0.2
171.04375	0.8
173.05986	0.3
175.07553	0.2
183.02896	2.1
185.04384	0.2
185.05956	1.6
189.05499	0.2
197.05885	0.4
199.03915	0.2
203.03329	0.2
203.07077	0.3
212.04858	0.1
213.05472	3.4
217.04962	0.1
229.04861	0.7
231.06479	1.3
241.04988	1.8
243.06509	0.3
245.04410	0.2
258.05200	2.6
259.05984	1.0
269.04456	0.3
287.05487	100.0
288.05878	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
57.07074	0.3
60.47008	0.3
67.01857	1.6
67.05489	1.1
68.99779	1.3
69.07056	1.2
71.63306	0.2
71.63743	0.5
71.93954	0.3
79.05484	1.6
81.07063	2.4
81.39055	0.3
83.08597	0.5
85.02885	0.3
89.03905	0.7
91.05470	1.2
93.07034	1.9
95.04911	0.3
95.08602	2.1
97.06513	1.0
97.10148	0.4
103.05433	0.5
105.07033	2.6
107.04916	0.4
107.08592	2.1
109.10146	1.1
111.00763	0.5
117.03384	0.9
117.07050	0.7
119.08573	2.9
121.02910	0.4
121.10110	1.4
123.11681	0.7
125.02382	0.3
127.70435	0.3
128.06252	0.4
131.08546	1.3
133.02777	0.3
133.10101	1.7
135.04407	3.8
135.11688	0.8
137.02356	1.4
137.05956	0.3
145.10081	2.0
146.83322	0.3
147.11667	1.9
149.13268	0.4
153.01825	9.7
154.96001	0.3
157.06496	0.6
157.10098	0.8
159.11681	1.7
161.02342	1.0
161.13281	0.6
163.14850	0.4
171.02905	0.8
171.11655	0.8
173.13277	0.8
179.03421	0.4
185.05949	0.4
185.13223	0.6
187.14819	0.8
189.16373	0.5
191.07004	0.7
199.14827	0.6
201.16362	2.7
204.24274	0.3
212.04465	0.3
213.05486	0.9
213.16299	0.8
215.18140	0.3
216.07361	0.5
227.07068	0.6
227.17949	0.5
229.04831	0.3
231.06505	0.5
241.04881	1.5
259.05923	0.5
259.10001	0.3
260.09921	0.6
269.04413	0.8
269.12790	1.2
269.22617	1.5
287.05493	100.0
287.23587	4.2
288.05820	3.0
293.23508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01867	0.2
64.61217	0.2
65.03933	0.3
67.01855	0.3
68.99440	0.3
68.99791	2.5
69.54499	1.6
69.54816	0.3
79.05482	0.6
81.03403	0.3
91.05525	0.2
95.04946	0.5
96.61877	0.2
103.05453	0.3
105.03391	0.7
107.04964	2.1
109.02873	0.7
111.00821	1.2
111.04429	0.5
115.05404	0.3
121.01992	0.4
121.02869	6.7
121.03851	0.4
127.03931	0.3
128.06265	0.2
129.07037	0.3
133.02815	0.9
135.04424	0.3
135.07997	0.3
137.02341	2.2
142.86844	0.2
145.06496	0.6
147.04436	1.6
153.01831	11.3
157.06479	1.3
161.05978	0.5
163.07535	0.6
165.01849	3.0
167.07062	1.3
169.06529	0.2
171.03014	0.3
171.04434	0.9
173.06001	0.3
175.07536	0.2
183.02910	1.6
185.06055	1.0
189.05417	0.2
195.10150	0.5
197.05968	0.4
203.03290	0.2
203.07077	0.2
203.91989	0.2
213.05476	3.4
213.11212	0.4
221.55093	0.2
228.03734	0.2
229.05055	0.3
231.06526	1.2
241.04977	1.6
258.05225	3.0
259.06146	0.9
269.04489	0.3
287.05496	100.0
288.05859	2.6
304.41956	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.70869	0.2
65.03935	0.4
67.01859	0.5
68.99788	2.5
70.43995	0.8
79.05479	0.8
81.03413	0.4
93.30943	0.2
94.67519	0.2
95.04954	0.5
97.02908	0.2
105.03365	0.9
107.04950	1.3
109.02863	0.7
111.00809	1.4
111.04427	0.5
115.05437	0.3
119.04932	0.2
121.01978	0.4
121.02853	7.1
121.03876	0.3
123.04424	0.2
127.03946	0.2
128.06233	0.3
129.06975	0.3
133.02875	1.0
135.04388	0.5
137.02342	2.6
141.06923	0.3
145.06468	0.9
147.04402	1.6
153.01814	11.5
154.02144	0.3
157.06471	1.7
161.05936	0.2
165.01822	3.6
171.04401	0.7
175.03812	0.3
183.02840	1.5
185.05980	1.2
189.05432	0.3
197.05913	0.3
203.07092	0.3
213.05463	3.4
225.30850	0.2
229.04906	0.4
231.06490	2.0
241.04921	1.7
258.05206	2.5
259.06122	0.6
269.04517	0.3
287.05472	100.0
288.05792	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
65.03928	0.5
67.01868	0.3
68.99787	3.1
69.03417	0.3
69.40086	2.1
69.40491	0.4
79.05461	0.7
81.03357	0.4
95.04924	0.4
103.05434	0.3
105.03382	1.3
107.04955	3.9
108.05294	1.7
109.02872	0.9
111.00798	1.6
111.04446	0.5
115.05421	0.6
116.28640	0.2
118.83177	0.2
119.04896	0.4
121.02866	7.7
121.03835	0.4
121.06508	0.3
127.03912	0.3
129.06995	0.6
133.02838	0.8
135.04393	0.5
137.02321	2.7
143.04901	0.4
145.06461	0.8
147.04399	1.8
153.01823	11.1
156.55492	0.2
157.06474	1.8
161.05975	0.3
165.01848	3.6
169.06609	0.3
171.04382	0.7
179.08911	0.3
183.02904	1.8
185.05981	1.5
189.05475	0.4
192.14059	0.2
197.05986	0.4
199.03854	0.3
203.03429	0.3
203.07005	0.5
210.10213	0.3
213.05444	3.8
217.04936	0.3
229.04935	0.5
231.06519	1.7
238.09384	0.3
241.04935	1.3
258.05203	2.7
259.05978	0.9
269.04416	0.5
270.12030	1.6
287.05490	100.0
288.05865	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Luteolin
Peak:m/z	Relative Intensity
65.03919	0.4
68.99782	2.2
69.03384	0.3
69.58887	0.8
69.59318	1.8
79.05478	0.6
90.38142	0.3
105.03354	1.0
105.13297	0.3
107.04927	1.1
109.02856	0.4
111.00794	1.2
121.02856	5.3
133.02867	0.7
135.04359	0.3
137.02333	2.0
145.06473	0.6
147.04388	1.3
153.01819	9.3
157.05200	0.3
157.06482	1.5
165.01836	3.2
171.04498	0.4
175.69565	0.4
183.02879	1.2
185.06001	0.9
213.05463	2.7
231.06523	1.2
241.04846	1.7
258.05240	1.9
259.06024	0.6
287.05484	100.0
288.05884	2.8
292.00830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1437
Annotation	(S)-Coclaurine
Peak:m/z	Relative Intensity
53.03928	1.0
54.44616	0.4
70.06554	0.4
71.02036	1.2
73.12543	0.4
79.05482	1.1
81.03395	0.4
91.05499	1.8
91.89980	0.4
93.07039	0.7
94.07383	0.4
95.04971	1.4
103.05463	0.7
107.04951	100.0
108.05323	1.0
115.05453	6.9
117.07027	1.3
119.04942	1.1
121.06496	1.4
125.06049	0.4
131.04935	2.4
133.06119	0.7
134.06406	0.4
137.05968	7.3
143.04929	11.7
144.05653	0.9
145.06493	6.7
147.08000	0.5
151.07538	2.0
155.06010	0.6
160.05211	3.4
162.06779	0.5
163.07562	1.5
165.06984	1.1
166.07753	1.4
175.06044	0.7
175.07558	14.1
178.08633	1.6
181.06519	1.7
181.10092	1.2
183.08136	0.4
189.06946	0.7
190.07834	1.5
191.08521	3.3
194.07257	3.7
195.08072	0.9
197.06023	0.7
203.61836	0.3
209.09627	8.9
211.07602	0.7
212.08188	0.5
217.23715	0.4
218.07233	0.5
219.08083	1.6
223.07619	0.7
237.09119	10.3
238.09784	0.8
239.07097	0.8
254.09370	3.2
269.11722	34.1
270.12064	0.8
286.14368	39.3
287.05457	0.9
287.14664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01844	1.3
55.05509	8.2
56.05037	6.5
57.03428	0.7
58.99585	19.5
59.94021	0.6
61.01138	1.4
61.11217	0.7
67.05504	4.2
68.05019	1.4
69.03413	1.0
69.07034	2.7
69.07369	0.7
70.02919	1.4
70.06565	0.8
71.04958	0.8
71.65057	1.0
74.00641	1.3
75.01431	0.8
76.02212	1.0
76.04009	4.8
79.05494	4.0
80.04993	1.0
81.07033	3.3
82.06581	0.9
84.04504	3.5
84.08129	1.2
85.01125	4.6
86.00649	17.9
86.09665	0.8
87.02697	4.4
88.02206	2.0
89.04271	6.2
91.05453	1.9
93.07030	0.8
93.85664	0.7
95.04987	1.2
95.06091	6.5
95.08577	1.7
96.08152	1.3
97.01118	1.1
97.06528	7.8
98.09696	13.2
100.02171	0.9
101.04239	9.9
102.05553	5.8
103.05443	1.1
105.07014	1.3
107.04961	6.2
107.08578	0.7
108.08121	1.5
108.08837	0.8
110.09682	1.9
112.03948	3.4
113.01695	2.6
113.04224	9.3
114.03757	0.9
115.05752	0.8
116.01657	5.2
118.04102	0.7
121.02814	1.2
122.09647	2.2
124.01527	1.7
124.07591	0.9
127.05746	0.8
129.06422	1.6
129.07341	27.3
130.04997	1.9
130.06853	4.5
130.08656	3.0
143.02753	2.6
144.01125	0.9
145.06096	1.1
153.01816	0.9
156.08415	32.1
156.10187	11.0
157.08754	1.0
159.04413	0.9
161.02344	2.7
162.02171	1.7
163.03876	5.3
173.02393	6.0
181.04974	1.0
183.09517	97.3
184.09909	2.1
189.03317	2.1
212.04742	1.6
213.05450	1.2
215.07037	8.5
216.06921	8.9
240.11745	0.9
242.08826	0.8
254.09001	1.2
257.04489	0.8
258.05234	7.1
259.11148	100.0
260.11377	2.2
268.11600	0.9
268.14191	0.9
286.04706	10.8
286.07755	1.3
286.12070	4.3
286.15054	1.2
286.17615	0.9
287.05502	11.4
287.12778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05507	2.8
55.28305	0.6
56.05026	1.0
56.96565	5.4
57.03431	1.8
57.77335	0.6
59.04991	2.3
61.02921	6.3
68.05024	0.8
68.72370	0.5
69.03421	2.2
70.06589	15.2
71.04993	6.4
71.09293	1.3
71.09631	0.6
72.08147	1.0
74.82304	0.5
77.05917	0.5
79.05487	2.3
80.05025	0.7
81.04543	1.3
81.07053	13.2
82.05327	1.8
83.04977	0.8
83.06097	10.5
84.08130	1.2
85.02897	2.9
87.04478	0.7
87.08083	1.3
93.04519	6.4
95.06082	13.8
95.87202	0.5
97.02885	1.8
98.97573	3.2
107.06059	2.1
110.07159	100.0
111.04425	0.6
111.05557	1.5
111.07508	0.8
112.07598	12.2
112.08703	3.2
113.09620	0.5
116.07095	0.7
116.98619	2.2
119.01877	0.8
119.06065	0.7
120.06849	0.6
121.07626	1.9
124.07587	0.6
125.06003	0.6
127.03954	0.6
128.96426	0.6
128.98598	1.0
134.99666	1.1
136.08766	0.8
140.07043	7.0
143.00186	0.8
146.09589	0.5
153.05405	0.7
154.04913	0.5
156.03380	0.6
156.07677	14.6
156.30772	0.5
158.99721	1.1
161.02936	1.0
163.03886	1.0
163.12297	51.0
166.06120	1.6
169.04416	1.0
175.02818	1.1
177.00652	1.3
181.04959	0.8
182.05231	0.9
186.04504	1.2
190.13376	7.5
191.02264	0.7
193.13350	0.9
201.00540	0.6
204.05392	1.2
208.14438	12.5
209.12857	0.5
210.16031	0.7
212.15210	1.0
215.02174	0.6
219.01825	1.5
219.11272	2.3
233.03281	0.6
236.13905	7.3
236.16104	0.7
237.02783	1.0
240.17059	8.4
241.15239	0.6
254.14990	18.8
268.16675	0.8
286.17599	61.8
287.10928	3.9
287.17734	1.5
309.08295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03939	6.8
53.26816	5.6
55.05497	22.8
56.68815	5.0
67.05505	30.8
69.03415	7.5
69.07068	83.6
70.23392	15.2
70.23785	10.0
71.04974	15.9
73.52866	5.1
79.05479	21.5
79.05897	5.0
81.07054	43.2
83.04956	5.4
83.08615	15.3
91.05485	32.8
93.07030	32.3
95.04953	11.6
95.08598	61.1
97.06509	18.3
105.07023	72.9
107.08578	48.4
109.06506	27.7
109.10151	40.2
111.08075	7.0
115.71496	6.5
119.08560	100.0
121.06496	17.2
121.10108	37.4
123.08041	6.6
123.11687	23.7
131.08556	23.1
133.10123	61.4
135.08055	17.8
135.11664	15.1
143.08545	13.8
145.10100	25.3
146.07205	12.6
147.11697	27.3
155.08549	7.8
157.10147	15.0
159.11714	14.0
161.09633	98.5
161.13232	9.0
169.10127	9.3
171.11647	13.2
173.13252	12.0
175.14822	67.5
177.16388	16.0
181.04898	39.2
183.11711	7.9
185.13243	16.5
193.06474	5.7
193.15837	12.1
197.13348	11.5
201.16380	6.3
211.14795	16.9
215.17905	7.4
220.70279	5.6
267.21042	17.2
285.11203	13.4
285.22079	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
53.42046	1.2
54.75620	1.2
55.01881	2.7
55.05511	10.8
57.03437	13.9
67.05502	15.7
68.99790	1.5
69.03410	2.5
69.07054	4.4
70.19237	6.1
70.19669	2.0
71.04991	2.8
79.05495	18.2
81.03419	87.7
81.07056	17.0
83.04975	5.3
83.08615	22.6
85.02903	23.1
85.06512	1.6
91.05477	17.4
93.07051	11.0
95.04971	29.2
95.08593	5.6
97.02861	2.0
97.06531	3.6
97.10162	2.6
103.05470	2.7
105.07040	15.4
107.04957	100.0
107.08581	5.8
109.06509	4.5
109.10135	3.0
111.04408	2.5
111.08070	11.6
113.06030	2.1
115.05465	10.1
117.07050	3.9
119.08585	14.0
121.02864	3.8
121.06506	3.5
121.10099	6.4
123.11663	1.6
125.09589	1.4
129.07002	7.2
131.04904	3.1
131.08560	9.0
133.06482	3.3
133.10114	5.7
137.06013	10.2
142.07803	2.4
143.04918	14.5
145.06490	9.2
145.10143	1.5
147.08005	2.8
147.11700	12.6
149.09595	4.7
155.04935	1.3
157.10164	9.6
161.05978	2.8
165.06981	3.8
165.12769	3.3
167.08585	1.9
170.52412	1.3
175.07597	5.8
175.11183	14.2
178.08656	3.9
179.08459	1.5
180.08894	1.7
181.05031	10.4
181.06413	2.4
181.10121	1.7
182.07314	1.7
189.11249	1.6
190.07643	1.8
191.08571	2.6
193.06450	1.7
193.12236	48.6
194.07320	3.6
208.08403	3.1
209.09599	7.6
211.07524	1.3
211.13268	18.3
225.09039	2.5
229.04979	4.8
236.07954	1.8
237.09200	8.0
239.07092	3.2
253.08530	4.0
254.09406	1.7
257.04587	6.2
267.16028	8.6
268.10498	5.3
269.11749	27.4
285.03925	15.5
285.07263	2.2
285.11002	8.0
285.16977	14.2
286.04715	4.0
286.14377	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01863	4.9
55.05266	1.1
55.05510	19.3
57.03437	34.7
59.94362	1.2
63.00023	2.0
67.05502	34.7
69.03415	6.1
69.07071	12.7
71.04993	8.7
71.65082	1.9
71.65456	2.2
79.05054	1.9
79.05493	31.4
81.03416	100.0
81.07055	34.2
83.04980	12.5
83.08616	31.8
85.02900	57.1
85.03419	2.0
85.06510	4.1
91.05479	33.9
93.07039	18.6
95.04967	39.3
95.08608	14.8
95.43183	1.2
97.02885	5.1
97.06536	16.1
97.10156	4.0
98.98444	2.3
99.08117	1.8
103.05460	2.5
105.07026	27.3
107.04956	7.0
107.08585	8.7
109.06490	6.9
109.10150	5.1
111.04430	4.4
111.08081	17.7
113.05988	6.1
114.64608	1.4
115.05450	3.4
117.07008	3.0
117.39778	1.3
119.08579	25.3
121.06512	1.7
121.10138	11.2
123.08083	3.2
123.11698	4.2
125.09621	1.7
128.06223	1.6
129.07001	13.9
131.04951	3.1
131.08560	14.4
133.06467	5.3
133.10115	10.8
135.08078	1.5
135.11674	2.2
137.09596	2.7
141.06964	2.2
142.07756	4.4
143.08652	1.6
145.06491	2.0
145.10118	3.9
147.08046	3.8
147.11664	20.6
149.09618	6.1
155.08533	3.5
157.10123	18.1
161.05994	2.7
165.06990	2.4
165.12750	6.2
167.08582	1.7
169.10089	2.5
171.08017	2.2
171.11626	1.7
173.09639	3.9
175.11166	21.9
181.04968	17.6
181.06451	2.4
183.08018	1.7
183.11522	1.5
185.09598	4.5
187.07611	2.2
187.14725	1.6
189.09090	5.1
193.06445	1.8
193.12241	82.9
195.08104	2.2
199.07509	4.2
199.11183	4.5
201.09113	4.8
211.07632	1.7
211.11327	2.0
211.13269	53.4
211.15257	2.8
213.09039	2.4
215.10707	1.9
215.77144	1.5
221.05898	1.8
221.97441	1.3
225.09106	4.8
229.12126	9.5
229.14172	1.7
239.14374	1.9
241.12219	4.6
243.06496	4.2
243.10155	3.2
253.08633	7.1
255.13843	2.1
257.04318	1.5
267.13461	3.3
267.15912	5.9
272.16751	1.3
285.04272	1.8
285.07623	3.9
285.11118	9.4
285.14725	8.6
285.17245	40.4
285.21854	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01866	8.8
55.05506	34.1
57.03435	60.1
63.00037	3.6
63.65692	2.4
65.03922	3.8
65.65971	2.5
67.05503	47.4
69.03427	9.8
69.07058	14.8
70.06600	4.3
71.04978	16.3
71.63933	3.3
79.05494	47.1
81.03414	90.6
81.07053	54.8
83.04987	19.6
83.08616	41.5
83.85783	2.5
85.02903	99.5
88.07620	4.6
88.82481	2.2
91.05471	51.4
93.07047	25.1
93.42492	2.3
95.04966	47.4
95.08596	20.6
97.02870	6.4
97.06525	38.8
97.10181	7.0
103.05492	6.5
105.07021	43.1
107.04948	10.6
107.08592	15.8
109.06510	10.7
109.10104	6.3
111.04438	8.8
111.08080	22.3
113.06021	7.1
115.05414	6.8
117.07013	5.9
119.08586	35.8
121.10174	18.0
123.08061	7.1
123.11737	4.2
128.06233	6.4
129.07030	19.9
131.04959	5.6
131.08546	20.6
133.06502	9.3
133.10123	15.2
141.07002	4.5
142.07776	10.0
143.08543	13.4
145.06508	5.9
145.10118	3.0
147.08051	6.1
147.11685	26.0
149.09633	9.1
153.06966	7.3
154.07808	4.6
155.08571	5.3
157.06512	4.4
157.10123	28.7
159.08003	5.3
161.05984	10.5
163.11223	2.6
165.07005	11.2
165.12732	7.3
167.08508	4.5
169.06526	3.6
169.10251	3.1
171.08092	6.6
171.11708	6.4
173.05920	3.3
173.09639	16.4
175.11185	26.4
178.07753	4.3
181.04959	34.5
181.06471	4.8
182.07265	6.4
183.08034	4.3
183.11751	6.6
185.05931	4.3
185.09631	10.2
187.07579	6.9
189.09052	13.3
193.06537	8.8
193.10429	6.1
193.12238	100.0
195.08043	5.2
196.08893	3.2
196.68201	2.5
197.05914	3.5
197.09657	5.2
197.13191	3.5
199.07480	14.7
199.11148	18.3
201.09064	21.3
202.06398	3.1
210.06767	6.9
211.07640	3.7
211.11220	6.8
211.13261	76.5
213.09099	8.1
215.06978	3.5
215.10637	6.9
221.05971	6.1
225.09085	17.4
225.12810	2.5
227.10678	3.5
228.11469	3.2
229.08621	4.0
229.12236	41.4
231.10204	9.9
238.09854	3.9
239.14343	7.7
241.12234	8.8
243.06458	3.8
243.10287	16.5
250.32829	2.7
253.08563	27.7
254.08932	3.3
257.04327	6.4
257.15332	6.3
267.13727	9.4
267.24210	9.0
285.04218	5.1
285.07672	14.9
285.11331	31.9
285.14813	46.3
285.17093	36.2
285.21997	7.3
285.25394	26.6
285.29846	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01863	4.0
55.05259	1.4
55.05508	14.0
57.03438	19.4
59.04985	1.1
64.17778	0.9
66.37258	0.8
67.05497	20.1
69.03419	4.5
69.07078	5.1
69.79126	2.1
69.79532	6.0
71.04987	3.6
79.05013	1.0
79.05488	18.2
81.03416	100.0
81.07051	24.2
81.75456	0.9
83.04984	9.0
83.08611	23.1
85.02905	22.7
85.06541	1.1
91.05473	24.9
93.07035	14.9
95.04964	31.2
95.08610	8.9
97.02885	1.9
97.06533	4.5
97.10160	2.0
103.05455	1.4
105.07023	18.8
107.04960	9.1
107.08565	6.2
109.06507	4.5
109.10159	3.2
111.04414	3.4
111.08075	14.5
113.05999	2.9
115.05444	2.5
117.06952	1.0
119.04905	1.3
119.08575	17.8
121.06503	2.0
121.10136	7.9
122.90517	1.0
123.04414	1.3
123.08045	2.6
123.11672	2.0
125.09689	1.3
128.06238	2.3
129.06989	12.1
131.08539	10.4
133.06491	3.8
133.10124	7.3
137.05971	1.4
137.09641	1.7
141.07002	1.8
142.07802	2.6
143.08517	1.8
144.05679	1.2
145.10114	1.5
147.08040	4.4
147.11690	14.4
149.09610	6.0
151.11201	1.1
153.06981	2.2
155.08426	2.0
157.06479	1.7
157.10120	14.1
159.11658	1.2
161.06012	1.7
165.07010	4.4
165.12773	4.4
167.08578	2.2
167.33867	0.9
169.06458	1.4
169.10136	1.5
171.08000	1.6
171.11720	1.3
175.07616	1.8
175.11200	17.1
178.07828	1.5
181.04948	9.5
181.06375	1.9
182.07253	2.2
183.08098	1.6
183.11691	2.3
184.08865	1.6
185.09607	1.9
187.07596	1.2
187.14766	1.1
189.09100	1.3
193.06584	2.0
193.12239	58.3
195.08080	4.3
197.05879	2.5
197.09601	2.2
199.07509	1.4
199.14769	1.1
201.09108	2.6
207.07767	1.3
209.05994	3.5
209.09622	1.8
210.06776	2.6
210.10345	3.0
211.07503	3.0
211.11108	2.7
211.13239	19.4
211.15219	1.5
212.08272	2.7
213.09102	3.2
215.07106	1.0
215.10635	1.9
221.05991	3.3
221.09561	0.9
222.09921	5.3
223.07480	5.0
225.09090	10.6
229.12248	2.2
229.14420	1.1
235.07164	1.4
237.09030	6.8
238.06288	1.1
238.09891	18.4
239.07178	1.1
239.10472	2.1
239.14279	2.6
240.11424	4.0
241.12234	5.7
243.06374	1.1
245.21272	1.0
249.12758	1.3
250.09506	4.7
253.08571	9.3
254.09172	1.0
267.10910	2.2
267.13782	27.5
267.16083	5.0
267.21155	1.1
268.10504	9.2
268.13477	1.4
285.04016	1.9
285.07721	2.3
285.11295	9.3
285.14813	16.2
285.17096	10.9
285.22070	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01861	4.4
55.05511	11.0
57.03436	11.3
62.95404	1.1
65.03928	1.4
67.05501	16.0
69.03415	4.2
69.07051	3.9
69.59560	5.7
69.59984	3.7
71.04977	4.3
75.04375	1.3
79.05486	13.3
81.03414	100.0
81.07050	14.0
83.04989	8.4
83.08614	21.9
85.02905	10.1
85.06552	1.1
91.05478	17.8
93.07040	7.3
95.04964	31.1
95.08591	6.1
97.02853	3.1
97.06512	2.4
97.10162	1.8
105.07034	14.5
107.04943	10.9
107.08593	5.2
109.06498	2.4
109.10128	2.9
111.08078	11.1
113.05987	1.9
115.05469	1.8
117.07053	2.0
119.08581	14.0
121.06460	2.4
121.10148	6.5
123.08018	1.3
129.06998	9.0
131.04919	1.8
131.08578	9.0
133.06459	3.2
133.10120	5.0
141.06908	1.7
142.07779	2.2
145.06558	1.3
145.10132	1.7
147.08009	3.2
147.11671	7.7
149.09598	5.0
155.08301	1.1
157.10121	11.9
159.11829	1.3
161.05992	2.7
165.06993	4.7
165.12738	3.4
167.29614	1.3
175.07561	1.2
175.11197	12.5
180.25206	1.1
181.04944	6.2
181.06421	2.1
182.07330	1.6
185.25684	1.1
193.06418	3.0
193.10428	2.2
193.12233	44.3
195.08046	2.1
199.14758	1.7
210.06734	2.9
211.07652	1.6
211.13223	11.4
212.08327	1.6
221.06039	3.0
223.07610	1.2
224.08148	1.2
225.09154	5.5
235.90724	1.0
237.09134	3.9
238.09903	7.0
239.10635	1.2
240.11400	2.2
241.12152	1.1
253.08672	7.0
255.06488	1.6
257.07938	1.2
267.13474	12.4
267.16367	8.4
285.07791	1.9
285.11218	11.0
285.14777	5.7
285.17029	6.6
285.21988	2.3
286.14401	2.0
286.71625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.20405	1.2
55.01854	5.4
55.02095	1.2
55.05508	30.9
57.03437	56.3
57.07069	1.6
59.04989	1.3
60.94255	1.4
65.03937	1.9
67.05503	44.6
69.03417	5.0
69.06786	1.2
69.07066	13.5
70.03761	2.5
70.04182	5.3
71.04987	11.6
73.02932	1.5
75.75484	1.4
79.05495	47.3
81.03415	100.0
81.07051	52.6
83.04983	27.7
83.08617	33.9
85.02901	82.9
85.06522	3.7
85.83229	1.3
87.04462	1.9
91.05478	58.1
93.07038	32.4
95.04964	48.5
95.08603	22.4
97.02885	6.1
97.06519	8.1
97.10172	3.6
99.08090	1.6
103.05463	2.2
105.07035	42.6
107.04966	16.7
107.08582	12.3
109.06524	10.2
109.10126	6.4
111.04440	5.5
111.08076	21.6
113.06041	7.3
115.05437	3.6
117.07037	3.0
119.04900	1.3
119.08585	30.8
121.06498	2.4
121.10152	15.6
123.08053	5.6
123.11707	3.3
125.09628	3.3
128.06207	2.1
129.06993	16.5
131.08566	16.8
133.06458	4.7
133.10117	16.1
137.06006	1.6
137.09598	3.0
142.07755	4.8
145.10149	3.1
147.08086	3.2
147.11681	26.5
149.09593	10.2
157.10123	23.0
161.05978	3.1
165.07056	2.0
165.12714	7.2
175.11198	24.5
181.04970	6.9
181.06354	1.6
182.07338	1.6
193.06508	2.3
193.12242	83.4
210.06764	2.4
211.13280	52.2
221.06055	2.5
223.07658	1.3
225.09102	7.4
229.14481	2.1
238.09859	3.7
253.08560	7.3
267.13754	4.4
267.16068	3.9
269.11777	2.5
285.11325	7.7
285.17001	53.4
286.14499	5.0
304.40021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01868	6.9
55.05507	32.3
57.03436	62.4
60.70974	2.4
65.03948	3.0
65.75042	2.1
67.05505	55.9
69.03423	5.4
69.07065	12.7
69.69467	14.3
71.04998	12.2
79.05488	51.8
79.05949	2.1
81.03416	100.0
81.07053	66.7
83.04980	24.6
83.08616	36.8
85.02901	95.4
85.06543	4.3
87.04386	2.1
91.05483	62.0
93.07053	33.2
95.04963	41.1
95.08607	26.1
97.02905	6.7
97.06535	8.0
97.10201	2.8
99.08091	2.8
105.04551	2.3
105.07037	41.7
107.04966	9.5
107.08609	14.6
109.06529	8.8
109.10155	6.3
111.04469	6.1
111.08057	18.3
113.06013	6.1
117.06989	3.1
119.08579	29.6
120.98296	1.9
121.06506	2.3
121.10134	19.5
123.08050	5.4
123.11722	5.7
128.06279	3.5
129.07016	18.2
131.08560	22.8
133.06503	5.3
133.10129	18.1
137.09555	2.4
139.11150	2.1
142.07733	3.4
145.10117	3.0
147.08055	7.2
147.11685	33.8
149.09618	8.7
155.54338	2.0
157.10124	28.3
163.11171	2.4
165.12749	6.6
175.11174	30.4
181.05099	4.3
193.12247	89.6
195.07945	2.1
210.06711	2.2
211.13286	56.9
221.05847	2.7
222.09865	3.2
223.07547	2.2
225.09076	6.7
237.09218	2.9
238.09877	5.8
241.12228	3.3
250.09485	2.4
253.08675	9.7
263.33627	2.1
267.13702	9.9
268.10446	7.2
285.11295	8.3
285.17053	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01861	4.4
55.05511	11.0
57.03436	11.3
62.95404	1.1
65.03928	1.4
67.05501	16.0
69.03415	4.2
69.07051	3.9
69.59560	5.7
69.59984	3.7
71.04977	4.3
75.04375	1.3
79.05486	13.3
81.03414	100.0
81.07050	14.0
83.04989	8.4
83.08614	21.9
85.02905	10.1
85.06552	1.1
91.05478	17.8
93.07040	7.3
95.04964	31.1
95.08591	6.1
97.02853	3.1
97.06512	2.4
97.10162	1.8
105.07034	14.5
107.04943	10.9
107.08593	5.2
109.06498	2.4
109.10128	2.9
111.08078	11.1
113.05987	1.9
115.05469	1.8
117.07053	2.0
119.08581	14.0
121.06460	2.4
121.10148	6.5
123.08018	1.3
129.06998	9.0
131.04919	1.8
131.08578	9.0
133.06459	3.2
133.10120	5.0
141.06908	1.7
142.07779	2.2
145.06558	1.3
145.10132	1.7
147.08009	3.2
147.11671	7.7
149.09598	5.0
155.08301	1.1
157.10121	11.9
159.11829	1.3
161.05992	2.7
165.06993	4.7
165.12738	3.4
167.29614	1.3
175.07561	1.2
175.11197	12.5
180.25206	1.1
181.04944	6.2
181.06421	2.1
182.07330	1.6
185.25684	1.1
193.06418	3.0
193.10428	2.2
193.12233	44.3
195.08046	2.1
199.14758	1.7
210.06734	2.9
211.07652	1.6
211.13223	11.4
212.08327	1.6
221.06039	3.0
223.07610	1.2
224.08148	1.2
225.09154	5.5
235.90724	1.0
237.09134	3.9
238.09903	7.0
239.10635	1.2
240.11400	2.2
241.12152	1.1
253.08672	7.0
255.06488	1.6
257.07938	1.2
267.13474	12.4
267.16367	8.4
285.07791	1.9
285.11218	11.0
285.14777	5.7
285.17029	6.6
285.21988	2.3
286.14401	2.0
286.71625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01856	6.6
55.05267	1.9
55.05507	28.4
57.03437	49.3
57.07064	2.0
59.04997	1.7
59.16758	1.4
60.38451	1.4
65.03908	3.1
67.05504	43.5
69.03418	6.5
69.07076	9.6
69.77126	10.1
69.84419	1.3
70.06591	1.9
71.04987	13.1
72.73975	1.4
75.46211	1.5
79.05494	40.5
80.48387	1.2
81.03414	100.0
81.07056	50.9
83.04982	18.8
83.08617	32.3
85.02905	78.1
85.06519	3.1
86.09667	1.9
87.31081	1.4
91.05481	45.7
93.07042	28.9
95.04366	2.8
95.04967	46.7
95.08600	18.3
97.02863	4.3
97.06510	7.7
97.10167	4.5
98.21560	3.0
100.30359	1.5
101.76337	1.4
103.05428	3.5
105.07022	37.9
107.04980	8.0
107.08588	10.6
109.06516	8.5
109.10143	6.7
111.04430	5.7
111.08082	22.4
113.05991	6.2
115.05464	2.8
117.06954	2.2
119.08582	31.7
121.06478	3.7
121.10161	16.5
123.08044	5.4
123.11682	3.9
125.09613	2.5
127.07524	1.9
129.06972	14.7
129.36661	1.5
131.08554	14.6
133.06488	3.9
133.10123	16.8
137.05902	1.8
137.09567	2.0
142.07751	4.9
145.10043	3.1
147.08029	3.7
147.11678	26.4
149.09625	10.8
151.07651	1.6
157.10124	19.9
161.05960	2.8
163.11220	1.6
165.06972	3.7
165.12773	7.1
175.11177	25.4
176.48509	1.5
181.04965	10.0
193.06421	2.9
193.12236	86.3
210.06741	2.0
211.13295	52.0
221.05951	2.9
225.09105	7.4
229.14075	2.1
244.37804	1.6
245.86386	1.5
246.47134	1.4
253.08580	6.0
253.50455	1.6
267.15927	3.9
268.10513	2.9
285.04089	2.0
285.08258	2.4
285.11176	8.8
285.16974	54.3
286.17477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01854	5.4
55.05507	26.1
55.89765	1.7
57.03432	52.4
64.93112	1.8
67.05502	40.6
69.03413	6.8
69.07064	12.6
69.38303	18.0
71.01322	2.0
71.04986	11.9
79.05488	38.2
81.03408	84.6
81.07050	44.8
83.04983	20.8
83.08611	31.7
85.02896	100.0
85.03413	5.0
85.06509	3.3
86.91048	1.7
91.05472	50.9
93.07036	29.3
95.04955	35.1
95.08597	20.0
97.02866	3.8
97.06517	6.3
97.10161	4.9
99.08063	2.3
105.07014	32.9
105.07669	3.0
107.04954	8.0
107.08588	11.5
109.06507	9.9
109.10148	5.3
111.04456	4.2
111.08072	19.0
113.05965	6.4
115.05408	3.4
116.06143	2.2
117.06999	3.1
119.08567	28.0
121.10130	14.0
123.08026	4.3
123.11689	2.1
129.06978	13.0
131.08559	16.0
133.06506	4.7
133.10126	16.8
135.11736	2.2
142.07726	4.3
145.10133	2.4
147.08046	4.9
147.11662	24.7
149.09637	8.9
157.10101	25.1
165.12781	5.3
175.11168	25.5
181.04942	11.7
193.12222	83.0
211.13268	57.1
285.07648	4.3
285.11258	4.1
285.16898	47.5
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
55.05501	27.7
57.03434	57.2
60.64902	4.5
67.05505	52.3
69.03414	10.8
69.07051	19.8
70.32704	16.2
71.04980	20.2
79.05492	43.9
81.03412	100.0
81.07059	65.0
82.08991	4.4
83.04983	28.3
83.08614	39.9
85.02901	88.5
91.05469	50.9
93.07052	37.0
95.04974	44.9
95.08604	21.8
97.06536	7.9
97.10159	7.6
105.07029	37.3
107.04931	7.3
107.08586	13.8
109.06508	5.7
109.10155	6.5
111.08069	27.8
113.05988	12.6
119.08590	39.9
121.10136	19.1
123.08043	8.2
129.07001	21.9
131.04869	5.2
131.08556	27.6
133.10078	24.8
147.11659	36.9
149.09622	9.7
157.10138	22.4
165.12778	8.0
175.11159	27.0
181.04973	51.4
193.12257	99.1
211.13258	76.4
236.93063	4.7
253.08766	5.7
285.07596	7.8
285.11292	16.2
285.16928	58.5
285.29825	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01860	5.2
55.05507	34.5
57.03434	60.6
57.07068	5.7
65.03934	3.7
67.05161	3.8
67.05499	49.3
69.03423	7.3
69.07059	16.8
71.04988	15.1
79.05489	38.4
81.03418	98.0
81.07053	66.8
83.04978	28.1
83.08617	41.0
85.02901	100.0
85.06551	6.0
88.50472	2.5
89.92947	2.6
91.05479	67.2
93.07056	33.2
95.04969	44.7
95.08598	29.5
97.02919	3.5
97.06534	9.2
97.10162	8.0
99.08074	5.3
103.05475	4.1
105.07029	47.1
107.04949	8.4
107.08605	13.4
109.06505	8.0
109.10178	6.9
111.04433	7.6
111.08067	25.2
113.06013	9.3
117.06998	5.6
119.08581	33.0
121.06491	2.9
121.10170	19.6
123.08072	5.1
123.11696	6.6
125.09631	4.9
128.06201	3.1
129.07007	18.4
131.04967	4.8
131.08586	22.0
133.06494	5.8
133.10124	18.7
137.09558	3.6
142.07767	5.3
145.10115	6.1
147.08040	3.0
147.11707	32.4
148.97490	2.5
149.09628	14.5
157.10132	21.9
159.11743	3.8
165.12740	6.9
169.10095	3.8
171.01427	3.4
173.13228	3.5
175.11194	33.9
181.04979	38.9
183.11626	3.8
193.12233	99.0
211.13281	70.3
211.15240	4.9
253.08575	4.5
253.69016	3.6
285.07755	4.8
285.11255	11.3
285.16748	59.2
285.33502	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	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75633	1.8
53.03927	3.3
55.01855	3.8
55.05505	3.6
56.96566	2.0
57.03428	5.8
63.00027	4.1
67.05492	3.3
69.03404	2.5
70.76011	6.6
71.04979	2.9
75.04496	2.1
79.05485	9.6
81.03414	17.0
81.07046	6.7
83.08605	4.3
84.41227	2.4
85.02914	3.6
85.30629	2.1
86.09698	2.2
91.05479	23.6
93.07024	4.8
95.04939	9.7
95.08607	3.1
97.06519	4.7
103.05452	7.1
105.03394	3.9
105.07030	23.1
107.04924	14.8
107.08553	2.6
109.06525	9.4
111.08100	2.4
115.05440	5.6
116.77315	1.9
117.07006	2.8
118.04171	4.6
119.04939	25.8
119.08550	4.3
120.08077	2.1
121.06497	13.9
121.10126	3.1
123.08071	3.9
123.37860	2.0
125.05975	4.2
131.04955	2.1
131.08578	2.6
133.06482	25.3
133.10135	2.7
134.03636	4.3
135.04405	10.2
136.05168	6.8
137.05904	4.5
138.03073	2.3
140.04669	11.6
145.06496	2.2
147.04408	7.7
147.11591	2.2
149.05971	18.0
150.05501	12.9
150.06583	2.7
151.07526	17.5
152.04698	2.8
153.05458	100.0
153.06720	5.0
154.06107	2.6
155.04865	3.0
157.10085	3.6
161.05977	38.5
161.07254	3.8
165.05461	3.0
165.06989	2.3
166.64055	1.9
167.07045	21.5
168.07816	84.6
169.08081	2.1
175.11023	2.0
179.07010	8.0
181.04927	19.8
181.08566	7.6
187.07489	2.2
189.11201	2.4
193.06816	4.4
193.08575	30.9
193.12228	9.0
194.89958	2.0
196.07298	72.3
196.10007	2.8
201.05515	2.3
203.85924	2.0
209.08121	6.0
210.06772	4.0
211.07695	2.3
211.09633	48.0
212.10693	3.5
221.05936	5.9
225.09128	8.1
229.05048	10.4
229.06950	2.7
236.07874	2.7
239.11803	5.3
253.08765	10.3
257.04355	7.4
266.89661	1.9
267.11340	10.7
268.10590	4.2
285.03922	31.7
285.07126	4.5
285.11844	17.0
286.04471	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01866	3.5
55.79540	1.7
57.03423	5.8
65.03939	2.1
67.05501	4.3
69.49625	1.9
69.80681	8.7
69.81095	4.7
70.06573	2.8
71.04984	2.2
79.05463	9.4
81.03408	21.0
81.07059	4.0
83.08598	5.3
85.02877	3.3
91.05477	26.2
93.07034	4.6
95.04941	9.5
103.05456	6.9
105.03377	5.9
105.07021	22.5
106.04167	3.7
107.04944	21.5
107.15700	1.9
108.05795	2.2
109.06523	4.8
115.05426	3.0
119.04930	25.0
121.06493	14.7
123.04382	2.1
123.08044	3.2
133.06467	20.5
134.03609	4.8
135.04416	8.1
136.05199	5.7
137.05991	4.6
140.04710	12.5
144.08221	2.0
146.03615	2.2
147.04384	7.9
147.07872	2.0
149.05986	16.4
151.07562	16.5
153.05455	100.0
154.14180	2.3
161.05977	41.1
165.05556	1.9
165.06953	4.1
167.07056	23.3
168.07809	83.9
177.05484	4.2
179.07034	10.0
179.08437	2.9
181.04973	10.7
181.06381	1.9
181.08574	8.5
182.09488	2.3
193.06798	3.7
193.08583	37.8
193.12262	7.7
196.07295	80.1
197.07706	2.8
199.03783	2.1
207.07964	2.6
209.06197	1.8
209.08133	6.9
210.06758	6.0
211.09636	59.8
221.05972	5.7
225.09093	7.9
238.05826	1.9
238.30605	1.9
253.08583	15.4
256.10538	2.4
281.94632	2.1
285.07834	3.7
285.11108	16.3
285.13931	3.2
286.14511	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.112
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.25220	0.5
52.50068	0.7
54.71009	0.5
55.01901	0.7
55.05535	1.0
58.49768	0.7
62.07774	0.6
63.00064	1.2
64.41528	0.7
67.05544	1.0
69.03468	1.7
69.07109	1.0
69.92622	4.0
70.06591	3.3
71.05018	1.0
72.08199	1.3
79.05531	1.4
81.03467	1.9
81.07104	2.3
83.05030	2.4
84.04557	0.8
84.08172	1.5
85.02939	1.2
86.09715	1.3
87.04500	0.6
91.05535	2.4
93.07114	0.9
95.05031	2.1
95.08659	0.6
97.02932	1.4
97.06612	0.5
98.98480	1.4
103.05504	1.5
105.07037	3.9
107.04942	4.7
107.08688	0.6
109.06524	1.4
109.10210	0.6
111.04462	1.4
115.05502	1.2
119.08602	1.1
121.02972	1.0
123.04449	1.4
125.02404	0.9
125.06008	1.3
125.09682	0.9
131.04996	2.0
132.17903	0.7
133.06555	2.6
133.10156	1.0
135.04414	1.0
135.08093	1.0
137.05942	4.2
139.05431	0.7
143.05009	0.7
146.03625	3.9
147.08188	0.7
149.06017	0.8
151.03831	0.8
151.07597	0.5
153.05672	1.2
153.07040	3.0
153.09074	0.9
154.07785	3.1
155.08545	0.8
157.10210	0.5
159.20123	0.6
161.05975	16.5
165.06987	28.6
166.07588	1.3
167.08600	0.6
169.10190	0.6
174.03148	1.6
179.08459	0.7
180.10234	1.9
181.04985	12.8
181.06519	5.2
182.07268	10.1
183.04439	0.7
183.07999	1.0
184.03601	0.8
185.05997	0.7
191.07195	0.9
193.06488	23.0
193.08237	1.2
194.07286	2.4
196.05193	0.8
197.06035	1.1
197.09644	0.9
207.08124	0.9
209.06007	1.5
210.06758	19.2
211.03870	0.7
211.07532	3.9
211.09381	0.6
213.08997	0.6
214.09773	1.1
220.05281	0.6
221.05966	27.5
222.06606	2.2
225.09093	40.7
226.09436	1.7
227.07014	2.0
237.05357	1.0
238.06256	10.2
239.07007	3.7
242.09366	1.2
253.08589	100.0
254.09183	7.6
255.06497	1.6
257.08011	0.7
267.13901	1.0
269.08209	0.7
270.08813	3.4
285.04285	1.2
285.07639	2.0
285.11179	48.6
285.29816	1.0
286.11346	1.1
286.14233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.03939	1.7
55.01857	2.8
55.05494	3.4
57.03426	2.1
62.40093	1.0
63.00035	1.9
67.05502	4.3
69.03413	3.2
69.07046	2.5
70.02941	1.0
70.06599	4.5
71.63253	1.7
72.08141	2.3
74.02441	7.5
79.05501	6.9
81.03400	3.5
81.07043	6.0
83.04948	3.1
83.08601	2.7
84.04514	0.9
84.08114	2.5
85.02905	4.1
86.09705	2.1
87.05592	13.4
88.03973	2.7
89.03908	3.5
91.05486	9.3
93.07041	12.2
95.04966	4.3
95.08601	4.7
97.02898	1.6
97.06519	3.0
100.09396	1.0
100.11260	7.8
103.05435	2.3
105.07024	5.7
106.04170	0.8
107.04967	10.4
107.08595	14.7
109.06503	3.0
109.10148	2.0
111.04452	1.5
111.08057	0.9
115.05449	2.3
116.03439	3.1
117.03350	2.8
118.04202	1.0
119.04970	1.4
119.08582	2.4
121.02903	1.0
121.06500	7.4
121.10120	1.0
123.04413	1.6
123.08082	1.1
124.05202	1.9
125.05934	1.1
125.09612	1.1
129.07031	1.3
131.04897	3.5
131.08501	1.0
133.06081	29.1
133.10101	1.0
135.04411	2.0
135.11665	2.6
137.05983	8.9
138.03050	1.0
141.05443	0.8
141.07004	1.5
143.04878	1.7
143.08450	0.9
145.06432	2.1
146.03648	8.0
147.08087	1.0
149.05986	8.4
150.05484	5.5
151.07504	1.8
152.06175	1.4
153.05591	3.9
153.06944	3.4
154.07762	3.6
155.03464	1.0
155.04866	1.1
155.08525	1.7
161.05980	25.6
162.06483	1.5
163.07477	0.9
165.05592	1.8
165.07004	35.5
166.07585	1.7
167.07042	1.8
167.08537	2.9
168.05669	1.9
168.07808	3.0
169.06485	1.1
170.05638	1.1
171.01433	1.4
171.08069	1.0
175.07542	2.0
175.11327	0.9
177.06976	1.4
178.04912	1.1
179.08559	2.5
181.04922	15.3
181.06487	6.6
182.07254	11.7
183.08008	2.3
189.23610	0.8
193.06509	26.3
193.08356	1.1
193.12254	1.9
194.07178	4.3
195.08005	3.2
196.07222	1.9
197.09601	2.9
198.05051	7.0
199.07532	1.5
207.08150	1.2
209.05911	2.4
210.06760	25.3
211.07468	5.0
211.09525	2.0
213.05472	1.5
213.09169	1.1
221.05988	31.1
222.06734	2.7
223.07520	1.1
224.08267	2.3
225.09102	76.8
226.04532	1.5
226.09669	4.2
227.06998	2.4
235.07562	1.1
236.07861	1.0
237.05318	1.1
238.06216	10.1
239.07050	5.9
240.06584	2.6
241.06824	15.7
241.08936	1.3
253.08598	100.0
254.09180	10.1
255.06578	2.4
257.04449	1.4
257.08051	1.1
257.11691	3.6
267.11075	2.5
267.13766	1.2
268.10428	1.7
269.11661	3.4
270.08795	5.0
285.06000	2.6
285.11188	72.3
285.24142	4.4
285.29636	1.6
285.74167	1.1
286.11328	3.2
286.14420	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74016	0.3
51.48558	0.3
52.71358	0.3
53.03937	0.4
53.78006	0.3
55.01860	0.7
56.05013	0.4
56.96555	1.8
57.03435	1.3
58.15908	0.3
59.59803	0.3
61.02924	0.6
69.03433	2.4
70.06593	1.9
71.04980	0.8
71.63966	0.4
73.02910	1.4
81.03409	0.9
84.08140	0.5
85.02908	3.7
86.05984	0.4
87.04476	0.4
96.08142	0.3
97.02872	2.2
98.97603	1.2
99.04460	0.6
102.96849	0.4
109.02862	0.4
109.05122	0.4
110.01244	0.4
110.03524	2.6
110.06089	0.4
110.07141	0.7
110.97566	0.6
111.04424	0.3
116.98589	0.9
119.01883	1.4
125.02351	0.3
127.03898	1.4
128.02306	0.6
128.04553	0.8
128.98599	0.3
131.00220	0.4
131.01869	0.8
133.03462	0.6
135.03014	4.0
137.02917	0.4
138.05502	12.4
139.05856	11.8
141.10251	0.8
143.01898	0.4
143.67020	0.3
145.03386	0.4
145.04872	0.5
146.99643	0.4
150.06537	0.3
151.04465	0.4
152.05670	100.0
153.02066	0.4
153.04082	8.1
153.06038	0.6
158.99597	0.5
161.02975	0.4
169.09622	0.4
171.01349	0.3
173.03029	0.5
177.00789	0.4
177.06154	0.3
185.02969	0.5
189.00816	0.3
191.04004	0.6
193.55499	0.4
195.55659	0.3
196.04861	0.4
200.04449	0.5
203.04103	0.4
207.01573	0.3
216.05434	0.4
219.01767	0.5
255.03554	0.4
283.07010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.06130	0.3
56.96555	0.9
57.03437	0.5
69.03423	0.5
69.95187	1.2
70.06580	0.5
85.02912	0.4
97.02869	0.5
98.20815	0.4
98.97579	1.0
109.05132	0.6
110.03500	2.8
116.98613	0.8
119.01958	0.6
128.04581	1.8
134.04585	0.4
135.03017	4.7
136.06227	0.5
137.02866	0.3
149.95799	0.3
152.05669	100.0
153.04070	8.5
153.05273	0.5
153.06012	0.5
162.63103	0.3
162.79407	0.3
169.43565	0.3
172.80408	0.3
177.00911	0.4
189.00766	0.3
199.04445	0.3
261.00494	0.3
261.03122	1.1
274.98120	0.3
279.00586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.0
57.07057	0.3
70.31987	0.9
82.99845	0.2
98.97585	3.1
99.55058	0.2
100.86274	0.2
101.00871	0.8
116.98621	2.8
119.01923	7.1
119.02785	0.3
119.70346	0.2
134.99658	2.4
137.02937	2.7
137.04745	0.2
141.09508	0.2
142.03506	0.3
153.00818	0.6
158.99913	0.7
165.99725	0.3
177.00955	15.6
178.00993	1.0
179.00786	0.6
182.99834	0.5
188.77113	0.2
193.04147	0.3
195.02182	0.3
200.02490	0.4
201.00945	0.8
203.02496	0.2
216.98781	0.3
217.04088	2.2
218.03783	0.6
219.02007	20.8
220.02113	1.0
221.01756	2.9
222.01758	0.3
225.00826	2.2
232.70253	0.2
234.99770	0.4
236.00024	0.5
237.98967	0.3
240.05716	0.3
242.03564	0.7
243.01958	5.4
243.04247	0.4
258.06668	0.3
260.00073	0.4
260.04666	0.9
261.03058	100.0
262.03189	3.6
266.03577	0.4
275.04605	0.3
278.01157	0.5
279.00452	2.9
283.99988	1.1
284.04675	6.6
284.29550	0.9
285.04633	0.6
302.00980	1.9
302.03522	0.2
302.05719	0.7
303.00766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05493	0.5
56.02193	0.6
56.51288	0.2
57.03416	0.3
67.05490	1.4
68.05824	0.4
68.99783	0.2
69.03414	0.9
69.07058	0.3
70.06582	0.5
71.63667	0.3
79.05474	0.7
80.05828	0.5
81.03397	0.8
81.07054	2.1
82.07382	1.4
83.04964	0.5
83.08682	0.2
84.08124	0.5
85.02932	0.6
85.06512	0.5
86.09688	1.1
89.03884	0.3
91.05472	0.5
92.05779	0.3
93.07022	0.4
95.04973	0.8
95.08603	3.1
96.08928	3.3
97.02882	0.8
98.03196	0.2
103.05465	0.2
105.07020	0.8
106.07336	0.3
107.04964	1.6
109.06496	0.6
109.67284	0.2
110.06769	0.3
117.05761	0.3
119.01260	0.5
120.08094	0.8
123.08053	3.2
124.08406	4.4
124.09330	0.4
124.94432	0.2
128.06204	0.4
129.06993	0.8
129.10242	0.5
133.06468	0.4
134.06795	0.3
140.04987	0.2
141.05713	2.7
141.48633	0.2
149.05995	0.3
150.09193	0.3
151.07544	2.8
152.07901	4.5
154.06496	0.9
155.07362	0.4
156.08054	1.2
157.04990	0.2
158.05244	0.3
165.06998	0.5
166.06482	0.5
167.07292	0.5
168.04407	0.3
169.05211	14.6
170.05286	1.5
170.08923	0.7
176.07062	0.4
178.08701	2.2
179.08563	0.8
181.04997	0.6
181.06395	0.4
182.05974	0.5
183.06679	1.2
184.07593	3.1
189.07005	0.6
193.06447	0.6
196.08803	0.3
197.04713	55.1
198.05032	1.6
206.08258	1.6
207.08051	6.6
211.07651	0.4
212.07091	2.7
218.08028	0.5
219.05328	0.4
221.09616	0.3
223.07529	0.4
224.08221	1.1
225.04196	11.2
225.09056	0.3
226.04495	0.3
227.07068	0.4
235.07515	5.8
236.08345	0.8
238.09229	0.3
240.06541	100.0
241.06819	3.2
252.07796	1.7
256.12402	0.3
266.11075	1.6
266.13913	0.3
267.06973	0.3
267.10135	7.5
284.05536	21.2
284.09152	0.7
284.12271	5.0
284.29370	1.5
285.05911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	6.6
55.05511	17.2
57.03416	8.8
57.07062	5.3
58.09988	2.0
61.10728	2.1
65.03936	2.7
67.05511	24.1
69.03394	3.7
69.07069	21.2
69.98122	10.3
71.04972	9.0
79.05495	24.5
81.03410	3.2
81.07060	40.1
83.05003	13.3
83.08626	11.3
85.02926	3.4
85.06535	3.1
89.06022	2.5
89.11775	2.0
91.05481	22.4
93.06503	3.1
93.07047	40.6
95.04975	13.3
95.08606	22.1
97.02860	2.8
97.06509	9.8
97.10174	5.2
98.21493	2.4
105.07039	47.4
107.04949	5.3
107.07894	2.1
107.08601	33.4
109.06506	10.2
109.10157	17.8
111.04417	6.0
117.07001	10.5
119.07788	3.4
119.08579	38.3
121.06470	9.4
121.10145	100.0
122.10435	4.6
123.08044	7.2
123.11686	10.0
125.05998	2.4
125.09697	3.7
128.06194	4.6
129.06972	7.4
130.07782	5.2
131.08571	31.0
133.07594	3.0
133.10149	27.1
135.07999	7.3
135.11687	17.3
137.09587	3.0
142.07753	5.7
143.08549	19.4
145.06458	2.8
145.10124	40.8
145.73523	2.1
147.08057	3.7
147.11636	7.7
153.12709	7.5
155.08557	5.3
156.09288	4.4
157.10132	20.6
158.10835	7.2
159.11714	14.7
161.09616	26.5
161.13290	5.1
163.11185	11.6
165.06920	2.6
167.08543	3.7
169.10107	6.2
170.10791	3.4
171.08081	2.6
171.11737	13.6
173.09587	5.2
173.13280	48.2
175.11119	4.2
175.14781	7.6
179.08534	5.2
180.09344	3.7
181.10100	7.4
181.12180	7.7
183.11627	7.9
184.12437	2.4
185.09633	3.7
185.13237	5.8
187.11227	3.7
187.14815	9.8
189.12708	3.8
191.10625	4.1
193.10101	3.1
194.10852	4.2
195.11642	9.4
197.13258	4.4
199.11261	2.9
199.14796	7.0
201.12698	2.3
201.16336	5.0
203.14296	2.5
209.11453	2.6
209.13342	11.9
213.12653	3.2
213.16293	3.1
223.14806	8.3
225.16396	5.1
227.12717	9.0
237.16379	3.6
239.17793	2.6
241.15771	3.6
241.19629	2.3
251.10298	2.4
255.21036	6.0
265.19479	17.8
273.62421	2.4
283.15393	12.6
283.20490	85.2
284.29321	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	283.2055
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
55.01864	2.1
55.05513	9.9
57.03423	2.9
57.07058	5.1
62.64436	1.4
67.05209	1.7
67.05499	17.5
69.03410	6.2
69.07062	9.9
70.49741	3.6
71.04980	5.0
79.05488	16.3
81.06581	1.6
81.07050	23.9
83.04963	4.4
83.08602	5.6
91.05467	21.5
93.07045	29.5
95.04958	9.2
95.08138	1.4
95.08612	19.3
97.06496	3.3
99.04438	1.4
103.05446	1.6
105.07026	44.9
107.08599	26.5
109.06548	6.8
109.10148	13.2
111.08115	1.9
115.05435	2.0
117.07021	10.9
119.08570	35.1
121.06514	10.2
121.10136	68.7
123.08068	7.3
123.11694	9.3
125.09559	1.9
128.06221	2.8
129.06993	6.9
130.07822	2.1
131.08556	28.3
133.06474	1.7
133.10121	25.2
135.08031	8.1
135.11687	8.1
137.09628	2.1
141.06956	2.8
142.07776	5.7
143.08551	17.3
144.09297	4.1
145.06451	1.8
145.10126	31.8
146.07234	1.7
147.08057	3.0
147.11671	12.1
149.09543	1.9
149.13290	4.3
151.11160	2.0
153.07033	2.1
155.08534	4.8
156.09317	7.2
157.10110	19.7
158.10889	7.5
159.08072	3.9
159.11652	15.5
161.09619	22.8
161.13237	6.2
163.11176	5.7
163.14830	1.9
165.07028	2.2
167.08528	2.2
169.10106	7.8
170.10919	1.9
171.11656	13.7
172.08755	1.9
173.09618	5.1
173.13254	47.0
174.13795	1.4
175.11165	5.5
175.14763	11.0
179.08563	7.6
180.09349	2.8
181.10071	5.6
183.11658	7.7
185.09631	1.9
185.13263	12.6
187.14807	8.7
189.12779	3.9
191.14276	2.1
193.10054	4.0
194.10977	7.3
195.11708	9.8
196.12514	2.0
197.13275	6.1
199.11188	2.6
199.14771	7.2
201.16391	4.1
203.14209	1.7
207.11685	3.3
208.12444	3.6
209.13243	17.2
210.14027	2.0
211.14743	1.9
213.12677	5.9
213.16461	3.7
222.14154	2.1
223.14844	9.0
225.16319	5.5
227.14345	6.7
235.14854	2.4
239.17955	2.1
241.15903	3.1
255.21104	11.4
265.19540	23.0
280.75119	1.6
283.20547	100.0
284.20883	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
53.03953	9.7
55.01662	5.1
55.01872	55.1
55.05508	75.1
57.02642	5.6
57.03434	72.9
57.07064	12.2
59.04990	11.4
59.32068	5.1
67.05503	56.5
69.07068	12.7
71.04986	12.5
76.13256	5.1
79.05064	6.0
79.05489	77.9
81.03421	36.1
81.07048	66.2
83.01360	44.0
83.04987	52.4
83.08611	53.1
85.02921	14.0
85.06516	6.7
89.06011	8.2
91.05481	52.3
93.06469	8.2
93.07043	100.0
95.04973	30.2
95.08623	37.3
97.02870	8.8
97.06513	15.1
97.10151	7.4
99.04447	12.0
105.07022	31.9
107.04948	30.9
107.08601	41.9
108.08966	7.0
109.06511	23.4
109.10143	10.0
111.04446	13.0
111.08038	7.4
115.05418	7.3
117.06955	27.2
119.08562	25.9
121.06474	13.3
121.10147	28.3
123.08086	33.4
130.07782	6.1
131.08514	9.6
133.10120	11.5
134.99387	5.9
135.08008	11.3
135.11702	34.0
143.08545	8.0
145.10127	47.4
147.08015	7.4
153.12747	13.9
155.08594	6.3
163.11192	77.9
173.09621	10.9
181.12248	15.7
191.10687	8.6
202.05162	5.3
209.11678	19.3
227.12753	17.6
283.15341	68.9
283.26315	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01857	5.1
55.05511	17.0
57.03433	17.9
57.07061	1.4
65.03935	2.1
67.05502	25.9
69.03413	3.1
69.07066	10.4
71.04982	3.5
71.64931	1.7
73.02883	1.4
79.05054	2.6
79.05486	35.6
79.94993	1.3
81.03406	4.6
81.07052	26.3
83.04985	8.2
83.08626	11.3
85.02851	1.3
91.05462	14.4
93.07041	43.5
95.04972	9.4
95.08601	43.8
97.02869	5.5
97.06512	6.4
97.23293	1.2
99.04444	5.7
105.07031	12.1
107.04960	14.6
107.08587	29.9
108.08953	1.5
109.06507	2.9
109.10146	4.5
111.04414	4.1
111.08059	1.7
113.05996	1.5
117.07000	13.8
119.08576	13.9
121.06487	6.9
121.09316	1.7
121.10138	19.4
123.08096	1.3
125.05988	3.4
129.06989	1.9
129.85326	1.2
130.07762	4.3
131.08577	4.0
133.10126	4.4
135.08032	3.5
135.11685	50.8
139.07509	2.8
143.08559	2.2
145.06462	1.7
145.10106	31.3
147.08034	2.0
153.12700	2.2
155.08481	2.6
157.10126	1.6
163.11174	77.2
164.11549	1.9
165.06966	1.6
171.11621	1.5
173.09595	4.5
181.10403	1.8
181.12169	18.4
183.11769	1.2
191.10619	2.0
195.11623	1.3
197.13319	1.8
209.11662	5.4
227.12761	100.0
228.13159	2.3
231.61583	1.3
265.00879	1.3
265.19574	1.8
283.15225	25.1
283.20477	5.1
303.22272	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01875	49.1
55.05512	78.5
55.64452	4.1
57.03436	54.7
57.07061	3.9
59.04986	9.4
65.03928	4.5
67.05503	40.5
69.07056	14.9
71.01337	8.2
71.04969	13.9
79.05491	71.0
81.03397	35.8
81.07057	67.9
83.01336	44.3
83.04964	48.7
83.08616	44.4
85.02879	10.2
85.06499	4.8
91.05478	56.7
93.07040	90.4
95.04974	28.2
95.08610	30.1
97.02875	10.3
97.06509	18.2
97.10136	4.7
99.04451	6.8
104.35117	4.2
105.07025	31.6
107.04937	28.3
107.08578	44.1
109.06502	25.6
109.10130	9.3
111.04451	9.8
111.08070	6.2
117.07018	25.7
119.08568	31.4
121.06510	16.0
121.10154	28.3
123.08080	25.8
125.05936	7.5
129.06972	5.0
130.07718	5.7
131.08536	11.1
133.10127	9.4
135.07994	6.3
135.11682	46.2
139.07640	5.4
145.10109	55.0
147.08015	6.2
147.11610	4.2
153.12700	13.8
155.08461	5.9
163.09846	6.2
163.11185	100.0
173.09586	13.3
181.12160	22.6
183.71005	4.1
191.10597	12.3
209.11707	21.9
215.80029	4.0
227.12724	26.0
230.87016	6.4
283.15347	80.1
283.22702	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	1.0
53.03927	3.8
55.01632	1.4
55.01868	10.8
55.05260	1.6
55.05508	22.0
57.03437	17.1
57.07042	1.4
63.09801	1.0
65.03931	1.5
67.05498	30.2
69.03406	2.6
69.06779	1.2
69.07066	13.6
71.04972	4.9
71.65395	1.4
79.05489	38.9
81.03413	6.6
81.07053	36.9
83.01324	3.0
83.04976	18.5
83.08611	14.5
85.02878	2.9
85.06519	3.6
86.89360	1.0
89.05990	1.0
89.16644	1.1
91.05477	17.7
91.73110	1.0
93.07038	50.3
95.04971	12.3
95.08601	51.0
96.08891	1.1
97.02887	5.7
97.06516	10.0
97.10151	3.8
99.04446	6.3
99.08054	1.7
105.07037	11.3
107.04951	15.9
107.08589	39.2
109.06538	5.1
109.10165	5.7
111.04443	12.5
111.08069	3.8
113.06021	1.4
117.07000	14.1
119.08579	17.1
119.41370	1.1
121.06498	7.5
121.10133	20.7
123.08034	3.4
125.05951	4.4
125.09644	1.2
129.06985	2.5
130.07755	3.6
131.08562	5.8
133.10110	4.2
135.08054	3.7
135.11688	57.2
135.41093	1.1
139.07527	2.5
143.08577	6.4
145.06389	1.6
145.10123	39.5
147.08073	1.4
149.09608	1.2
153.12749	14.7
155.08537	4.4
157.10080	4.4
159.11714	2.4
161.09561	1.9
161.13235	1.5
163.11179	85.0
164.11542	1.1
168.09297	1.8
169.10097	3.3
171.11624	1.9
173.09642	3.0
181.10408	1.8
181.12222	21.8
183.11761	5.4
185.13176	1.8
191.10661	5.6
193.10187	1.3
194.10902	1.4
195.11656	3.2
197.13275	3.1
199.14984	1.0
209.11713	4.6
209.13292	3.0
223.14804	2.0
225.16374	10.9
227.12766	100.0
228.13081	1.5
237.16402	1.9
265.19458	4.9
274.16904	1.2
283.15344	38.0
283.20328	14.7
283.23666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01873	47.1
55.05511	73.5
57.03437	71.7
57.07067	3.4
59.05000	10.9
67.04949	2.4
67.05507	45.8
69.03437	3.9
69.07048	12.2
70.77499	7.3
71.04977	12.1
73.06532	2.8
79.05488	76.0
81.03417	42.4
81.06583	3.2
81.07059	60.0
83.01344	42.4
83.04976	47.6
83.08622	42.7
85.02904	9.3
91.04960	3.9
91.05479	44.9
91.44612	3.0
93.07043	89.1
95.04961	24.0
95.08607	30.0
97.02874	5.1
97.06522	14.4
97.10172	3.6
99.04438	8.4
99.79466	2.3
101.71146	2.6
105.07027	33.2
106.07328	2.9
107.04961	29.7
107.08591	45.2
109.06512	21.0
109.10131	6.0
111.04445	8.7
111.08103	6.4
117.07010	23.1
119.08585	32.1
121.06512	8.3
121.10153	28.2
123.08084	24.7
125.05971	8.6
125.09604	3.6
129.07004	6.8
130.07817	3.6
131.08562	11.0
133.10182	5.9
135.08063	7.6
135.11691	47.7
137.09598	3.9
139.07561	3.0
143.08585	5.3
145.06497	3.9
145.10118	58.8
147.08037	6.4
149.09502	3.8
153.12747	9.3
163.11182	100.0
164.11559	3.0
165.09151	3.0
173.09651	13.4
181.09801	2.5
181.12234	15.8
191.10678	11.2
209.11729	24.3
227.12747	21.0
283.15411	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84891	0.3
53.03947	0.3
56.96555	0.6
57.03436	0.4
69.03429	0.8
71.12646	0.6
71.13000	0.5
73.02898	0.8
73.03274	0.3
79.84025	0.3
80.05831	0.3
82.37643	0.3
85.02901	1.5
85.28246	0.3
86.06060	0.8
87.04454	1.1
92.04975	0.5
94.06566	2.0
94.32899	0.3
97.02869	0.8
98.97581	0.9
102.96857	0.9
110.03519	0.3
110.06039	1.2
114.96846	0.5
119.01893	0.7
120.97926	0.4
121.08563	0.3
123.08875	0.3
127.03874	0.4
131.00194	0.4
131.02017	0.5
132.97917	0.4
135.03061	0.8
136.07587	0.6
138.05499	100.0
138.98996	0.4
139.05890	1.5
146.09256	3.0
151.08081	0.4
152.05676	13.9
153.04086	1.4
162.98930	0.4
175.04521	0.4
177.00720	0.3
180.67822	0.3
181.00049	0.6
193.05437	0.6
202.04149	0.3
211.01219	0.4
251.26640	0.3
256.89319	0.4
268.93771	0.3
295.63965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51709	2.9
53.03929	6.5
55.01637	2.9
55.01870	45.5
55.05511	83.7
56.96544	6.4
57.03436	70.4
57.07055	6.5
59.04998	15.2
61.39095	3.0
65.03905	4.4
67.05176	3.6
67.05505	55.1
69.03415	7.2
69.07074	17.2
71.01340	4.8
71.04979	16.0
71.62498	5.7
79.05490	80.2
81.03424	34.5
81.05758	3.1
81.06596	3.1
81.07055	61.4
83.00909	3.2
83.01342	42.7
83.04982	51.6
83.08620	43.3
83.69524	2.6
85.02892	16.1
85.06516	3.5
91.04971	3.9
91.05479	49.9
93.06489	5.5
93.07043	90.0
95.04964	23.9
95.08606	31.4
97.02858	11.8
97.06532	23.8
97.10133	5.1
98.98476	3.1
99.04421	9.8
103.05463	3.5
105.07020	37.1
105.82502	3.3
106.07388	2.7
107.04958	25.3
107.08585	40.6
109.06516	25.1
109.10143	9.3
111.04456	19.6
111.08040	9.3
117.07012	25.1
119.04893	8.5
119.08581	32.1
121.02814	7.9
121.06470	11.7
121.10151	27.0
123.04422	3.4
123.08065	28.1
125.05932	6.2
125.09653	4.9
129.06981	6.2
130.07742	6.5
131.08571	13.7
133.10107	8.3
135.08040	8.4
135.11693	51.8
137.09669	6.1
139.07515	6.0
141.43202	2.9
143.08539	4.7
145.06419	3.8
145.09056	4.8
145.10120	67.2
147.08020	7.5
149.09546	3.8
153.12747	21.4
154.59120	3.4
155.08508	9.1
163.09865	5.1
163.11182	91.1
165.09184	3.4
170.29240	2.7
173.09608	14.8
181.12233	20.1
191.10675	15.2
195.11516	4.0
209.11751	32.0
220.08357	2.8
227.12813	17.3
236.07841	5.8
241.08270	3.1
263.89212	3.0
265.15662	3.4
266.12503	11.6
283.09842	4.7
283.12421	5.5
283.15335	100.0
283.19980	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	283.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01869	19.8
55.05507	4.3
55.25719	0.6
57.03421	1.3
57.07057	0.7
60.55517	0.6
65.03913	0.9
67.05502	21.6
68.99791	1.2
69.03426	8.9
69.07047	1.7
70.06596	1.0
71.04984	1.3
71.63126	1.0
79.05494	10.0
81.03405	1.3
81.07053	47.9
82.64639	0.6
83.04957	1.9
83.08604	1.4
85.02892	2.7
85.06545	7.5
87.04439	1.0
91.05473	3.7
93.07044	7.3
95.04958	4.1
95.05466	0.6
95.08603	76.5
97.02891	8.4
97.06519	3.0
99.04413	0.7
99.08089	2.5
103.05457	0.7
105.07034	10.2
107.04971	1.5
107.08587	3.6
109.02850	0.8
109.06519	11.0
113.05981	0.7
115.03927	2.2
116.74065	0.5
119.08549	0.8
120.08095	0.8
121.02868	1.9
121.06508	0.7
123.04425	1.7
123.08064	100.0
124.08367	1.0
125.05995	5.8
127.03895	0.9
127.07549	3.9
129.06978	1.3
130.26828	0.6
133.06468	5.9
136.07628	0.8
138.69171	0.7
141.09099	7.7
143.03392	2.0
151.04050	3.3
151.07539	94.7
152.07857	0.9
153.06931	0.9
157.04964	8.5
157.06337	1.1
165.06992	0.8
169.04973	42.3
169.08594	12.2
169.09932	1.1
173.09692	0.6
181.04941	1.4
181.06476	1.4
183.02888	1.4
183.06528	3.5
187.09683	1.6
195.08163	0.9
197.04694	15.7
197.06326	1.1
197.07745	0.7
200.05186	0.6
205.06517	0.9
206.08173	0.8
207.08096	2.1
209.06035	2.4
209.11723	0.8
223.07603	1.1
223.09706	1.9
225.04230	2.4
226.09496	0.7
235.07755	1.0
237.05467	1.7
237.09061	1.0
237.11150	5.3
239.09236	0.6
240.06517	26.6
251.07066	1.5
255.06584	0.8
255.12317	3.1
265.04874	1.0
265.10699	19.3
267.10239	2.3
268.06894	1.6
283.06152	3.9
283.11832	41.3
284.05518	7.1
284.08975	0.8
284.12482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03942	1.2
55.01869	1.8
55.05501	0.8
57.03423	0.8
57.07076	0.4
61.02905	0.3
65.03612	0.3
65.03939	3.3
67.05513	1.8
68.99796	0.5
69.03045	0.2
69.03429	4.6
69.07056	0.8
70.06586	0.7
71.01348	0.4
71.04980	0.7
71.61790	0.2
76.97472	0.2
77.03923	0.2
77.60827	0.2
78.09966	0.2
79.05486	1.2
81.03416	7.1
81.07056	3.2
83.04983	0.7
83.08626	0.5
84.08140	0.5
85.02905	5.3
85.06538	0.4
86.09701	0.6
87.04445	0.4
89.06031	12.9
91.05471	0.7
93.03429	0.3
93.07030	0.7
95.04971	7.0
95.08606	5.2
97.02885	2.1
97.06503	0.4
99.04441	1.1
99.08084	0.4
103.05505	0.4
105.04503	0.2
105.07021	1.4
107.04956	0.7
107.07056	0.4
107.08597	0.7
109.02884	3.0
109.06525	1.2
109.10185	0.3
111.04443	3.0
115.03975	0.3
117.07025	0.2
119.08584	0.4
120.08080	0.6
121.02864	100.0
122.03221	0.9
123.04442	0.7
123.08064	5.9
125.06015	0.4
127.03912	1.0
127.07541	0.2
129.07130	0.2
131.04915	0.4
131.08592	0.3
133.06505	0.5
133.08598	5.0
133.10114	0.3
135.04460	0.2
135.08054	0.4
136.06168	0.3
136.07541	0.3
139.03905	8.5
141.05443	0.5
141.09096	0.3
145.05196	0.2
145.10139	0.4
148.07513	0.3
151.03914	10.5
151.05026	0.8
151.07524	5.3
153.03937	0.2
157.05013	0.6
159.04466	0.3
165.06989	0.5
167.07140	0.4
167.08615	0.5
169.04977	2.3
169.08583	0.8
169.10007	0.3
177.06975	1.0
177.11238	1.0
178.07661	0.3
179.07156	0.4
181.04938	0.7
181.06451	0.5
183.06540	0.2
184.22591	0.2
191.08571	0.3
193.06514	0.3
193.71819	0.3
194.07307	0.9
195.08054	0.9
197.05984	0.3
205.06522	0.9
207.08046	0.3
208.08771	0.6
209.06133	0.4
209.09665	0.3
210.06572	0.4
211.07532	0.7
212.07988	0.3
217.12248	0.3
217.72450	0.2
219.08012	0.2
221.05971	0.3
223.07629	1.9
224.08247	0.7
225.05519	0.3
225.09123	0.6
233.06076	0.3
235.07594	0.3
236.08350	0.5
237.09148	1.7
237.11218	0.3
239.07053	0.7
240.07770	0.7
247.09668	0.2
250.53413	0.2
251.07072	1.7
251.10469	0.5
252.07779	0.4
252.11475	2.4
253.08678	1.0
254.09338	1.3
255.03215	0.3
255.06465	0.3
255.10150	0.9
265.06848	3.1
265.10760	1.1
268.07407	0.4
268.10974	1.2
268.97601	0.3
283.02603	0.4
283.09344	2.5
283.13080	2.9
283.17804	0.5
301.06183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67949	0.2
53.03936	1.2
55.01868	2.0
55.05498	1.1
57.03422	0.8
59.69634	0.3
61.02918	0.6
65.03936	3.5
67.05499	1.6
68.99763	0.4
69.03424	4.8
69.07061	0.8
69.48759	1.5
69.49180	0.9
70.06580	0.9
71.01336	0.3
71.04982	0.6
73.02898	0.4
79.05508	1.4
81.03411	6.9
81.07063	2.9
83.04971	0.5
83.08619	0.7
84.08131	0.4
85.02898	5.6
85.06548	0.8
86.09691	0.7
87.04450	0.3
89.06023	7.0
91.05482	0.8
93.03423	0.4
93.07032	1.1
95.04967	7.0
95.08047	0.4
95.08605	5.3
97.02876	2.3
97.06501	0.4
97.10162	0.3
98.20720	0.3
99.04439	0.7
101.41848	0.3
105.07018	1.3
107.04956	0.7
107.07062	0.4
107.08586	0.7
109.02872	3.4
109.06486	0.7
109.10102	0.3
111.04436	3.9
117.07082	0.4
119.08620	0.3
120.08090	0.5
121.02863	100.0
121.10117	0.4
122.03214	1.0
123.04450	0.7
123.08065	5.1
125.06006	0.5
127.03883	1.4
131.08560	0.4
133.06502	0.6
133.08603	3.3
137.05943	0.3
139.03899	8.6
141.05421	0.3
141.09113	0.3
147.04366	0.3
150.09166	0.3
151.03902	12.0
151.05000	0.8
151.07520	5.7
157.05031	0.4
157.10159	0.3
165.06926	0.4
166.07738	0.4
167.07076	0.4
169.04959	2.8
169.08600	0.7
177.05421	0.4
177.07065	0.9
177.11104	0.5
178.07623	0.3
179.07076	0.5
181.05031	0.4
181.06499	0.6
183.06599	0.3
194.07227	0.6
195.08083	0.9
197.06059	0.5
205.06503	0.8
207.08070	0.4
208.08925	0.6
209.06038	0.3
209.09628	0.4
210.06612	0.4
211.07544	0.8
219.08142	0.4
221.06003	0.4
222.06691	0.4
223.07651	1.5
224.08330	0.7
225.09096	0.6
233.06136	0.4
236.08275	0.7
237.09152	1.5
238.09625	0.3
239.07083	0.9
239.10683	0.3
240.07808	0.8
241.08604	0.2
251.06973	1.3
252.11383	1.8
253.08618	1.2
254.09366	1.7
255.10133	0.9
265.06845	3.2
265.10806	1.3
268.07269	0.8
268.10931	1.5
283.09427	1.9
283.13644	4.1
283.17709	0.5
283.20267	0.4
285.00845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05492	0.5
57.03414	0.4
59.04980	0.7
61.02914	0.5
67.05497	0.8
69.03401	0.5
69.07042	0.3
70.06581	0.7
70.79421	0.6
70.79829	0.5
71.04990	8.8
72.08154	0.7
79.05486	0.8
81.07044	3.2
83.04973	0.5
84.08137	0.4
86.09704	0.5
90.20709	0.3
91.05467	0.3
93.07039	0.8
95.04935	0.4
95.08595	1.0
103.07072	0.3
105.07040	0.5
107.04961	0.6
109.05096	0.9
110.03530	3.7
113.09643	4.2
120.08119	2.7
121.02873	0.5
123.04415	1.7
123.08074	0.8
128.04544	2.4
133.06496	0.5
134.04597	0.3
134.09662	0.5
135.03004	2.0
136.06340	0.3
136.07535	0.3
150.05447	0.3
151.03868	0.4
151.07574	0.5
152.05667	100.0
153.04086	10.0
153.06007	0.8
153.67760	0.3
165.07051	0.8
166.07269	0.6
177.07077	0.7
189.09085	1.0
193.06479	0.5
204.06348	0.4
205.06468	3.7
207.08078	0.5
211.07512	0.5
219.08037	0.4
221.06020	0.7
225.09119	0.6
232.11960	0.6
233.05980	3.7
234.10376	0.4
235.07455	0.8
237.09091	0.4
239.07043	0.7
240.07686	0.4
247.07678	0.4
250.06238	0.5
250.09875	0.7
250.12927	0.3
251.07100	0.4
254.08365	0.3
254.11812	0.8
265.08578	2.0
265.12180	1.3
267.06448	1.9
267.99930	0.4
268.07062	0.3
282.08667	2.0
282.11743	2.0
282.15637	8.1
282.22134	1.0
283.09460	0.9
300.06274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05492	0.5
57.03414	0.4
59.04980	0.7
61.02914	0.5
67.05497	0.8
69.03401	0.5
69.07042	0.3
70.06581	0.7
70.79421	0.6
70.79829	0.5
71.04990	8.8
72.08154	0.7
79.05486	0.8
81.07044	3.2
83.04973	0.5
84.08137	0.4
86.09704	0.5
90.20709	0.3
91.05467	0.3
93.07039	0.8
95.04935	0.4
95.08595	1.0
103.07072	0.3
105.07040	0.5
107.04961	0.6
109.05096	0.9
110.03530	3.7
113.09643	4.2
120.08119	2.7
121.02873	0.5
123.04415	1.7
123.08074	0.8
128.04544	2.4
133.06496	0.5
134.04597	0.3
134.09662	0.5
135.03004	2.0
136.06340	0.3
136.07535	0.3
150.05447	0.3
151.03868	0.4
151.07574	0.5
152.05667	100.0
153.04086	10.0
153.06007	0.8
153.67760	0.3
165.07051	0.8
166.07269	0.6
177.07077	0.7
189.09085	1.0
193.06479	0.5
204.06348	0.4
205.06468	3.7
207.08078	0.5
211.07512	0.5
219.08037	0.4
221.06020	0.7
225.09119	0.6
232.11960	0.6
233.05980	3.7
234.10376	0.4
235.07455	0.8
237.09091	0.4
239.07043	0.7
240.07686	0.4
247.07678	0.4
250.06238	0.5
250.09875	0.7
250.12927	0.3
251.07100	0.4
254.08365	0.3
254.11812	0.8
265.08578	2.0
265.12180	1.3
267.06448	1.9
267.99930	0.4
268.07062	0.3
282.08667	2.0
282.11743	2.0
282.15637	8.1
282.22134	1.0
283.09460	0.9
300.06274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.03433	0.6
59.04998	1.4
61.02922	1.6
66.00475	0.3
67.05490	0.6
69.03432	0.4
69.07028	0.3
70.06578	0.6
71.04989	3.1
71.64633	0.3
79.05492	1.2
81.07049	5.3
87.08081	0.5
87.09677	0.2
91.05457	0.6
93.07008	0.5
95.08562	0.4
97.02889	0.2
99.08072	0.4
105.06999	0.7
107.04948	0.5
107.08591	0.3
109.05086	0.7
110.03525	2.3
113.09634	1.1
119.08588	0.5
120.05327	0.2
120.08096	0.6
121.02897	0.4
128.04529	2.5
131.08525	0.3
134.04625	0.3
134.64893	0.2
135.03006	4.2
152.05663	100.0
153.04063	12.2
153.05315	0.5
153.06017	0.6
160.74132	0.3
165.07007	1.5
166.07288	0.6
167.08607	0.3
177.07071	0.4
178.07666	0.5
179.08516	0.9
181.06464	0.4
183.08044	0.4
189.06976	0.5
190.07903	0.4
191.08559	0.8
193.06470	3.5
194.07187	0.7
195.08037	0.6
197.05927	0.4
199.03836	0.3
203.08604	0.3
205.06523	0.9
206.07079	0.3
207.08044	1.0
208.08783	0.7
210.06584	0.3
211.07579	0.6
218.07214	0.8
219.07976	0.8
221.06001	1.9
221.09683	0.4
222.06587	0.7
223.07533	0.4
225.09151	0.4
232.11960	0.5
233.05965	1.0
234.10352	1.7
235.07558	2.3
236.08240	1.1
237.09113	0.5
237.74174	0.3
238.08679	0.5
239.07036	4.1
239.09239	0.2
249.05450	0.9
250.09840	2.6
250.12982	2.4
251.10353	0.4
252.07457	0.5
252.11562	0.5
253.08553	0.8
254.09082	0.5
254.11987	0.4
263.06934	0.4
264.07660	0.3
264.14658	0.3
265.08578	0.8
265.12198	5.2
265.14731	0.4
267.06512	5.3
267.09064	0.5
268.07172	0.4
274.30450	0.3
282.08752	8.9
282.11414	1.9
282.15582	21.1
282.22131	0.7
283.09955	1.3
283.13284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90417	1.0
53.03951	2.0
55.01865	4.9
55.05498	2.3
56.69741	1.2
56.96563	23.7
57.03433	5.5
57.07064	2.2
59.04993	1.3
61.02914	9.8
61.41542	1.2
62.18494	1.1
67.05504	2.7
68.05058	1.2
69.03424	21.2
69.07056	9.1
70.06585	4.3
70.89294	3.5
70.98123	3.7
71.04988	4.8
72.08155	3.5
73.02913	4.9
73.33700	1.0
74.97604	1.6
77.98367	1.0
79.05461	1.8
81.03410	8.5
81.07056	2.0
83.06059	1.3
83.33244	1.1
84.08160	2.1
84.96005	1.8
85.02900	100.0
85.06535	14.4
87.04464	3.5
88.99165	1.9
91.03954	3.7
91.05461	2.6
95.08624	1.3
97.02888	22.7
97.06525	2.2
98.97564	7.6
99.04456	6.2
103.03935	1.2
107.04942	1.5
109.02869	7.0
111.04436	1.5
112.07565	1.7
115.03912	2.6
116.98615	7.2
119.04932	1.2
120.08102	1.9
120.97940	1.4
121.02994	1.1
121.08445	3.0
121.52117	1.2
123.04465	1.5
125.02299	1.3
127.03907	26.4
128.98613	3.3
129.01813	1.1
131.00153	2.0
134.09627	1.5
134.99753	2.7
135.04446	1.4
136.06163	10.0
137.05940	1.6
139.00653	1.4
140.07098	4.0
145.04948	41.5
146.99619	2.8
147.04413	1.9
148.99188	1.1
150.07750	4.0
153.00656	1.3
156.03404	1.2
157.01711	1.7
161.01221	2.4
163.03918	4.5
163.05997	10.3
167.00177	1.5
168.06584	6.0
169.04977	4.5
173.01250	2.4
177.00742	2.3
177.07823	1.4
182.99712	5.4
185.01253	3.3
186.04384	2.3
187.02780	1.4
189.00726	3.3
191.02263	2.4
193.03212	1.9
197.01106	1.6
201.00742	9.2
203.02296	1.8
204.05505	3.0
206.11755	4.4
215.02293	8.1
219.01732	2.8
224.02370	1.1
229.10732	3.8
233.03264	5.8
237.02771	1.9
238.38699	1.2
259.01245	3.7
260.04370	1.2
265.12216	2.1
268.00122	1.5
268.97888	1.3
277.02371	3.2
282.09799	7.9
282.13245	1.6
282.22168	2.6
300.06281	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	282.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32876	0.7
53.46593	0.6
55.78724	0.6
58.35439	0.7
69.39937	5.3
69.40355	2.3
81.16206	0.7
98.21537	1.3
157.99240	0.7
178.07716	1.5
179.08578	4.9
189.07005	2.0
190.07761	3.4
191.08571	6.2
203.08607	3.8
204.09381	1.1
205.06458	1.5
205.10150	2.2
206.07365	1.1
207.08038	8.2
217.06465	2.4
218.07240	5.4
219.08035	10.9
221.06047	4.6
221.09589	5.6
222.06696	0.8
222.10423	0.9
231.08121	0.9
233.09637	5.9
234.10384	27.7
235.07539	35.8
235.11148	1.7
236.08241	5.6
237.09081	1.1
249.09076	2.4
250.09889	45.3
251.10265	1.4
265.12231	100.0
266.12506	2.9
282.14993	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04102	0.2
55.01872	1.2
56.96561	0.5
57.03437	0.6
59.04982	0.3
60.63661	0.2
61.02919	0.3
67.05504	0.7
69.03420	0.9
69.07064	7.0
70.06594	1.1
71.04983	0.4
71.52734	0.4
72.91227	0.3
79.05472	0.2
81.07076	0.3
83.55584	0.2
84.08122	0.5
85.02869	0.3
86.09694	0.3
93.07037	0.5
94.04042	1.0
95.04973	0.6
95.08606	0.5
95.32256	0.2
97.02885	0.9
97.06522	2.8
98.97546	0.3
105.07064	0.5
109.02873	0.3
111.08079	0.3
112.07603	0.7
119.03539	1.3
120.08053	0.3
121.02843	0.6
122.06051	0.3
123.04427	0.4
125.96051	0.2
129.09100	0.8
134.09633	0.5
136.06180	100.0
137.04597	2.1
137.06523	0.9
140.07060	3.9
150.07747	16.9
163.04208	0.3
168.06552	2.8
169.04950	3.0
206.11777	1.1
250.12985	22.6
251.13298	0.4
265.12085	0.4
267.99930	0.3
282.09491	3.8
282.12430	1.7
282.15591	45.8
282.22131	1.0
283.09482	0.3
283.15927	0.5
284.03171	0.4
300.06226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1196
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01871	1.7
55.05497	0.4
56.96550	0.8
57.03429	1.4
61.02927	0.4
69.03423	0.8
69.07065	3.9
70.06589	1.2
73.02918	0.4
79.05494	0.5
81.07051	0.4
82.30679	0.3
84.04508	0.3
84.08139	1.6
85.02898	1.1
93.07012	0.4
94.04046	1.2
95.08572	0.4
97.02877	1.1
97.06522	0.8
107.53315	0.4
112.07594	0.5
121.08427	0.4
123.04418	0.4
123.06660	0.7
132.89375	0.4
133.05014	0.8
134.09647	0.5
136.06181	22.3
137.04567	0.6
137.06650	1.8
139.66084	0.4
140.07048	2.5
148.06177	0.4
150.07745	100.0
151.08171	0.6
162.04085	1.2
163.04411	1.2
168.06561	2.0
169.04959	1.8
177.07851	0.7
179.08618	0.4
206.09886	0.7
206.11752	5.3
215.02406	0.5
234.10379	0.4
250.12988	5.6
265.12109	0.5
268.00082	0.5
282.09589	1.9
282.11981	9.0
282.15610	8.5
282.22198	0.9
300.06250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01873	24.6
55.05509	1.7
56.96561	2.6
67.05507	4.3
69.03430	5.6
69.07068	100.0
70.06594	14.7
70.07405	0.9
71.53294	1.3
78.85612	0.9
79.05494	1.2
81.07061	1.0
84.08140	3.5
85.02863	1.1
86.09679	1.0
88.07621	1.0
91.05444	0.8
95.04977	9.5
95.08569	1.5
97.02898	15.8
97.06537	18.1
98.97554	0.8
111.04459	1.2
112.07604	18.1
115.03949	1.3
120.08103	2.4
121.02836	1.3
122.06020	1.0
123.04440	4.5
123.08044	1.0
134.09665	1.6
140.07062	75.5
141.05455	2.7
151.07463	0.9
152.05696	1.0
168.06563	63.2
169.04962	65.3
176.84113	0.8
178.07240	2.1
179.08531	0.9
185.01202	1.7
189.00687	0.8
193.13635	0.8
201.00676	1.0
208.04008	0.8
215.02272	1.0
224.09001	1.0
233.03258	1.1
236.09218	2.0
252.84052	0.8
254.07509	1.9
267.99905	1.0
269.94022	0.8
282.09726	91.3
282.22137	2.4
283.09961	2.0
292.68640	0.8
300.06122	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	282.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01868	7.4
55.05509	5.1
56.96562	100.0
57.03425	8.2
57.07063	2.7
58.06573	2.6
61.02909	7.4
67.05482	4.0
69.03423	15.6
69.07067	14.4
69.64986	1.9
69.85516	12.9
70.06573	8.8
70.98122	12.2
71.04982	4.5
71.95238	3.4
72.08147	5.5
73.02905	7.5
74.97594	3.3
76.68918	2.1
79.05494	3.2
81.03417	7.2
81.07053	4.2
83.04964	3.0
84.04502	4.1
84.08140	13.2
84.96002	5.2
85.02901	46.7
85.06536	5.7
86.09634	1.8
87.04453	3.6
88.99127	9.9
91.03935	2.8
91.05466	7.1
93.07052	3.6
93.77766	2.1
95.04955	4.0
97.02890	21.6
97.06548	3.9
98.06026	1.9
98.97578	44.3
99.04480	3.8
102.96912	2.6
104.38039	2.1
107.00161	2.1
107.04939	5.3
107.08585	2.2
109.02850	5.8
110.07117	3.8
110.97547	5.5
112.07611	3.7
116.98623	29.8
119.01830	3.6
119.04929	6.0
120.08120	3.8
121.06476	2.5
121.08476	2.4
123.04443	2.4
125.02357	3.2
127.03897	13.4
128.02283	2.7
128.92953	2.3
128.98561	12.9
133.01643	2.6
134.09599	3.4
134.99655	22.8
135.04373	3.3
136.06136	5.3
137.05960	11.7
139.00621	3.4
140.07022	7.6
140.70056	2.3
142.01768	3.8
143.00121	1.9
144.98042	2.0
145.04962	12.6
146.99648	9.5
147.04410	9.2
150.07727	23.6
153.00720	4.7
153.17775	2.4
155.00072	2.9
157.01721	8.6
158.01242	3.3
158.99678	8.5
160.02853	6.8
161.01219	7.1
163.03920	6.2
163.05980	2.8
165.00684	3.3
167.00117	4.9
167.06949	3.0
168.06595	5.5
169.04903	4.9
170.01244	2.5
170.99666	5.5
173.01210	7.6
175.02713	4.7
176.12701	2.7
177.00726	13.6
177.07796	4.6
179.02292	2.8
179.07001	2.5
182.99686	12.9
185.01248	17.7
186.04276	2.3
187.02650	4.1
189.00702	8.5
189.04250	4.8
190.05077	2.6
191.02240	6.5
193.03363	3.5
195.01794	2.6
197.01219	8.5
201.00691	30.8
203.02295	5.2
204.05385	2.5
205.03809	3.2
206.11725	15.7
208.03032	2.5
208.04974	5.2
214.03894	5.5
215.02232	33.3
217.05434	5.8
219.01775	9.9
223.01250	2.5
224.02422	2.9
226.03906	4.9
228.05540	4.2
233.03302	25.8
236.15894	3.4
237.02795	5.8
238.03896	5.7
244.04922	3.7
246.06503	7.8
256.04956	6.0
259.01291	8.2
265.06003	3.8
274.03305	2.3
277.02219	9.5
282.09680	9.3
282.15518	2.7
282.22168	3.5
283.07135	3.1
284.03204	3.5
300.03394	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	281.211
Annotation	Schisanwilsonene B
Peak:m/z	Relative Intensity
53.89519	8.2
55.05504	29.2
55.35894	9.2
57.07084	14.7
58.51627	9.5
58.74491	9.7
61.56430	9.3
67.05499	30.8
69.07066	20.0
69.49852	89.6
77.13162	9.6
79.05488	24.1
81.07054	81.5
88.30384	9.1
91.05494	18.8
93.07036	54.2
95.04978	10.9
95.08603	95.2
95.12714	9.3
97.10160	9.4
105.07043	55.3
107.08594	42.1
109.10130	48.3
119.08565	53.5
121.10180	55.7
123.11706	23.9
125.72660	9.3
133.10139	34.2
135.11699	18.0
147.11723	60.9
161.13295	23.4
163.14786	19.5
172.48193	9.7
203.17976	82.1
221.19054	41.3
265.12326	17.6
281.11606	10.4
281.21198	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	281.2108
Annotation	[1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
Peak:m/z	Relative Intensity
53.03951	5.8
55.05507	35.5
57.03431	7.1
57.07060	5.9
61.02921	5.5
67.05501	69.3
68.05820	5.6
69.07071	28.6
71.04960	6.9
71.08614	7.4
71.64672	8.2
75.99187	3.9
79.05492	38.8
81.07056	100.0
83.04983	11.7
83.08613	17.6
85.06499	10.6
91.05482	47.4
91.87644	4.5
93.07041	64.3
95.04952	44.3
95.08605	84.2
96.08940	4.3
97.06547	8.0
97.10115	6.2
103.23230	3.8
105.04507	4.7
105.07022	59.2
107.08583	53.3
109.06496	19.9
109.10153	50.7
117.07000	6.7
118.53105	4.5
119.08575	40.0
121.10128	30.4
123.08041	14.5
123.11710	13.9
123.61841	4.2
125.09646	4.7
129.07010	9.7
131.08545	6.0
133.10141	58.0
135.11685	14.3
137.09592	6.4
137.13245	7.3
138.85960	4.2
141.44420	4.0
143.08589	7.8
145.10104	9.1
147.11684	40.0
149.13139	4.2
155.08505	7.0
161.13190	21.6
163.14827	9.3
165.06967	5.9
165.12708	10.9
169.10074	5.7
171.11763	5.9
175.14787	5.7
178.07813	5.6
181.10030	8.8
182.11021	6.2
183.11697	8.5
191.17842	5.1
193.10051	5.3
195.11652	5.9
197.13316	10.1
203.17961	34.7
206.07205	6.2
208.12495	6.5
219.07979	8.2
221.09596	5.8
221.13222	5.6
221.18994	31.7
223.14738	17.6
235.14868	5.3
249.09053	6.1
250.09850	7.8
265.12189	7.8
281.11569	20.1
281.14908	4.3
281.19052	36.2
281.26816	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	281.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01897	1.1
55.05511	4.8
57.07061	2.0
62.29844	0.8
63.12785	0.8
67.05494	7.7
69.07063	6.9
69.35671	7.1
69.36079	2.8
71.04987	2.3
79.05488	6.9
81.07055	10.8
83.04967	1.0
83.08633	3.0
85.06538	10.4
91.05460	9.4
93.07030	8.5
95.04971	2.0
95.08588	7.6
97.06543	2.0
97.10175	1.5
99.08066	1.2
105.06361	1.6
105.07024	13.1
107.08563	7.4
109.06515	0.9
109.10152	3.9
111.11704	0.9
115.05400	1.1
117.07042	2.9
119.08571	20.7
121.10166	2.9
128.06232	1.8
129.06096	1.0
129.06987	5.6
131.08554	8.0
133.06442	1.3
133.10101	6.3
135.08105	1.3
137.09607	1.2
141.06993	4.4
142.07796	5.0
143.08556	8.6
144.09406	1.8
145.06459	1.3
145.10127	7.7
147.11690	2.5
150.02663	1.2
151.11179	1.2
153.06979	3.5
155.08548	11.2
156.09303	2.5
157.10133	11.6
159.11682	6.0
161.09564	1.8
161.13312	1.4
165.06970	6.0
166.07809	3.5
167.08534	5.6
168.09367	4.4
169.10130	15.4
170.10985	1.3
171.11678	6.8
173.09673	1.7
173.13249	2.7
175.11169	3.0
178.07823	3.4
179.08521	10.6
180.09326	4.7
181.10121	19.2
182.10875	5.5
183.08119	1.2
183.11699	11.9
185.09669	1.4
185.13264	3.1
187.11218	2.6
189.12762	1.4
191.08592	1.4
192.09312	4.3
193.10124	29.9
194.10939	7.3
195.11687	19.7
196.12422	4.5
197.09673	1.8
197.13330	7.5
198.14145	1.1
199.11131	1.2
199.14844	1.8
205.10149	2.4
206.10910	6.1
207.11694	12.3
208.12448	22.0
209.09697	1.0
209.13208	11.4
210.10361	1.0
210.13930	2.6
211.11154	2.0
211.14818	8.8
212.15643	2.0
213.12726	1.6
213.16406	1.0
219.11699	3.3
220.12524	3.4
221.13248	14.5
222.14055	1.3
223.14803	85.9
224.15373	2.8
225.12727	6.2
225.16383	5.7
232.15512	1.0
233.13307	3.9
234.14014	3.0
235.14789	7.3
237.12691	1.0
237.16380	6.1
238.17009	2.2
239.14301	3.1
239.17952	2.4
244.56294	0.9
248.15587	4.0
249.09026	1.3
249.28326	0.9
253.15823	2.2
253.19449	5.1
263.14291	1.2
263.14822	1.5
263.17950	21.9
263.20554	1.8
266.16571	1.4
281.15460	10.1
281.19006	100.0
281.22504	22.9
282.19424	1.2
299.06317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01897	1.1
55.05511	4.8
57.07061	2.0
62.29844	0.8
63.12785	0.8
67.05494	7.7
69.07063	6.9
69.35671	7.1
69.36079	2.8
71.04987	2.3
79.05488	6.9
81.07055	10.8
83.04967	1.0
83.08633	3.0
85.06538	10.4
91.05460	9.4
93.07030	8.5
95.04971	2.0
95.08588	7.6
97.06543	2.0
97.10175	1.5
99.08066	1.2
105.06361	1.6
105.07024	13.1
107.08563	7.4
109.06515	0.9
109.10152	3.9
111.11704	0.9
115.05400	1.1
117.07042	2.9
119.08571	20.7
121.10166	2.9
128.06232	1.8
129.06096	1.0
129.06987	5.6
131.08554	8.0
133.06442	1.3
133.10101	6.3
135.08105	1.3
137.09607	1.2
141.06993	4.4
142.07796	5.0
143.08556	8.6
144.09406	1.8
145.06459	1.3
145.10127	7.7
147.11690	2.5
150.02663	1.2
151.11179	1.2
153.06979	3.5
155.08548	11.2
156.09303	2.5
157.10133	11.6
159.11682	6.0
161.09564	1.8
161.13312	1.4
165.06970	6.0
166.07809	3.5
167.08534	5.6
168.09367	4.4
169.10130	15.4
170.10985	1.3
171.11678	6.8
173.09673	1.7
173.13249	2.7
175.11169	3.0
178.07823	3.4
179.08521	10.6
180.09326	4.7
181.10121	19.2
182.10875	5.5
183.08119	1.2
183.11699	11.9
185.09669	1.4
185.13264	3.1
187.11218	2.6
189.12762	1.4
191.08592	1.4
192.09312	4.3
193.10124	29.9
194.10939	7.3
195.11687	19.7
196.12422	4.5
197.09673	1.8
197.13330	7.5
198.14145	1.1
199.11131	1.2
199.14844	1.8
205.10149	2.4
206.10910	6.1
207.11694	12.3
208.12448	22.0
209.09697	1.0
209.13208	11.4
210.10361	1.0
210.13930	2.6
211.11154	2.0
211.14818	8.8
212.15643	2.0
213.12726	1.6
213.16406	1.0
219.11699	3.3
220.12524	3.4
221.13248	14.5
222.14055	1.3
223.14803	85.9
224.15373	2.8
225.12727	6.2
225.16383	5.7
232.15512	1.0
233.13307	3.9
234.14014	3.0
235.14789	7.3
237.12691	1.0
237.16380	6.1
238.17009	2.2
239.14301	3.1
239.17952	2.4
244.56294	0.9
248.15587	4.0
249.09026	1.3
249.28326	0.9
253.15823	2.2
253.19449	5.1
263.14291	1.2
263.14822	1.5
263.17950	21.9
263.20554	1.8
266.16571	1.4
281.15460	10.1
281.19006	100.0
281.22504	22.9
282.19424	1.2
299.06317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64855	1.9
51.02378	1.9
53.03944	11.5
55.01863	5.8
55.05510	33.6
57.03432	27.8
57.07079	1.8
60.75855	1.5
65.03937	5.3
67.05502	91.8
67.48320	1.6
69.03418	2.3
69.07064	17.5
71.04991	4.0
79.05489	100.0
81.03411	15.6
81.06573	3.4
81.07053	63.8
83.04977	34.6
83.08621	11.9
85.06533	3.4
91.05476	78.6
93.07040	73.6
95.04962	31.7
95.08599	38.4
97.02880	2.6
97.06523	7.2
97.10159	5.5
105.04486	1.9
105.06295	2.5
105.07025	52.7
107.04947	8.9
107.08586	26.9
109.06505	9.8
109.10154	7.4
111.08070	1.8
115.87084	1.5
117.07010	8.1
119.08571	33.8
121.06548	3.5
121.10145	4.5
123.08035	9.8
124.40314	1.5
127.07520	2.0
128.03583	1.7
128.06213	2.6
129.06978	20.5
129.07741	1.6
131.08557	3.3
133.06465	1.8
133.10101	11.8
137.09679	1.7
140.06071	1.5
142.07852	1.6
143.08560	11.3
145.10133	11.7
147.08043	4.2
147.11679	39.5
161.09651	3.6
161.13239	16.6
171.11699	30.6
176.06425	2.1
177.12691	1.6
189.12712	11.8
207.13762	12.3
221.09723	2.9
223.10292	1.8
229.45389	1.7
235.07516	4.2
236.07805	1.8
250.09770	3.8
251.09863	3.6
253.08630	2.2
254.08153	2.8
265.12253	5.5
281.10757	16.5
281.17459	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.1
55.01858	5.1
55.05510	37.9
57.03436	29.7
57.07083	4.7
60.30842	3.1
62.27836	3.5
65.03925	4.7
67.05500	83.5
69.07060	25.5
69.86164	17.0
69.86584	8.7
71.02042	4.3
71.04953	4.3
72.74037	3.3
79.05054	6.2
79.05488	100.0
79.05949	5.1
81.03413	17.7
81.07050	66.1
83.04974	42.2
83.08595	12.7
91.05476	79.0
93.07041	77.5
95.04955	30.6
95.08604	42.9
97.06510	9.5
105.04501	4.8
105.07034	59.7
107.04956	13.6
107.08582	28.1
109.06503	8.5
109.10151	7.4
117.06974	14.1
119.08557	32.8
121.06473	4.3
121.10122	6.0
122.12556	3.5
123.08084	6.2
125.86696	3.4
129.06990	21.2
131.08574	6.2
133.10098	14.6
134.09633	10.6
135.11713	3.6
143.08554	12.8
145.10019	9.2
147.07906	3.7
147.11673	38.5
161.09584	4.1
161.13258	12.7
163.99644	3.6
171.11620	23.0
189.12733	11.2
207.13786	6.2
210.12723	5.8
281.17401	28.9
282.22070	12.3
299.06290	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1899
Annotation	Sucutinirane D
Peak:m/z	Relative Intensity
51.53212	0.6
53.03947	0.6
55.05504	3.3
57.07082	0.9
60.50504	0.6
67.05499	4.2
69.07071	5.3
69.92246	1.0
69.92667	2.5
70.84539	0.5
71.04991	1.4
77.05692	0.6
79.05487	4.4
80.90602	0.5
81.07063	6.6
83.08646	1.5
85.06543	14.3
91.05472	6.7
93.07050	6.5
95.04984	1.0
95.08614	6.2
97.06523	1.3
98.20824	0.7
99.08106	1.3
103.05518	0.7
105.07028	18.0
107.08595	6.4
109.06531	1.2
109.10116	3.0
114.24110	0.5
115.05437	0.8
117.07039	3.7
119.04937	5.3
119.08577	11.6
121.06489	0.7
121.10146	2.9
123.08064	1.1
123.11646	0.6
128.06210	2.8
129.07018	4.3
130.07834	0.8
131.08575	9.5
133.06522	1.1
133.10107	4.1
135.08051	1.2
135.11713	1.4
137.09602	1.2
141.06996	5.3
142.07826	3.5
143.08565	10.6
144.09373	1.0
145.10121	7.8
146.10463	0.6
147.08058	1.0
147.11700	2.1
149.09590	0.6
153.06992	2.3
154.07773	2.1
155.08554	15.9
156.09340	3.5
157.10126	10.0
159.08075	1.5
159.11697	7.0
161.09724	0.9
161.13257	1.2
165.06989	5.4
166.07822	3.7
167.08562	7.5
168.09351	4.8
169.10136	16.8
170.10823	1.3
171.08064	0.8
171.11693	6.8
173.09697	1.0
173.13255	3.0
175.11275	1.0
178.07765	2.8
179.08565	8.7
180.09367	5.3
181.10132	20.2
182.10867	6.6
183.08125	0.8
183.11699	16.0
185.09636	1.2
185.13251	2.8
187.11200	1.6
187.14851	0.8
189.12717	1.0
191.08571	1.2
192.09302	4.4
193.10136	17.4
194.10925	5.8
195.11676	18.1
196.12518	5.0
197.09639	1.2
197.13289	12.3
198.14006	0.8
199.11183	1.1
199.14839	3.2
205.10146	2.8
206.10905	4.8
207.11705	12.9
208.12454	11.8
209.13290	9.2
210.10364	0.9
210.13954	3.5
211.07666	0.8
211.11223	2.1
211.14832	11.4
212.15488	1.1
213.12766	2.2
213.16504	0.9
219.11635	2.7
220.12511	2.4
221.13242	10.8
222.14011	1.2
223.14813	71.8
224.15327	3.6
225.09161	1.2
225.12894	6.4
225.16446	8.2
226.17009	0.6
233.13271	3.3
234.14050	1.2
235.14803	6.8
237.16403	6.4
238.17142	3.7
239.10696	0.9
239.14323	3.4
239.17949	7.8
248.15733	3.2
251.14249	0.7
251.17969	1.1
253.15901	2.2
253.19524	5.7
261.16525	0.7
263.17950	21.6
266.16660	0.7
266.20206	0.9
277.48895	0.6
281.15564	8.7
281.19028	100.0
281.22580	41.4
282.19391	1.9
282.22690	0.8
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	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.01589	1.1
51.02377	2.5
53.03950	8.8
55.01867	5.4
55.05512	33.4
57.03437	33.9
57.07069	1.6
58.32178	1.0
59.04980	1.4
65.03930	4.4
67.05505	81.8
69.03417	2.5
69.07071	15.9
71.04980	4.2
71.64422	2.5
73.06538	1.4
77.03916	1.6
79.00173	1.0
79.05493	100.0
81.03427	15.1
81.07057	69.3
83.04981	35.1
83.08614	10.5
84.57532	1.0
85.02913	1.4
85.06522	3.1
91.05479	72.8
93.07043	72.9
95.04971	30.2
95.08606	41.4
97.02888	2.7
97.06527	7.5
97.10163	4.4
103.05468	2.4
105.04488	2.4
105.07032	51.4
107.04950	10.5
107.08595	22.6
109.06516	9.4
109.10150	8.0
111.08035	1.9
113.09569	1.3
113.24875	1.1
115.05435	1.6
117.07014	10.7
119.08585	34.9
120.45970	1.3
121.06503	2.6
121.10128	5.0
123.08059	8.9
127.07557	2.0
128.06244	2.4
129.07010	20.1
131.08591	3.4
133.06490	2.3
133.10138	15.0
135.08078	1.5
135.11678	3.2
137.09608	1.9
139.07549	1.5
142.07809	1.2
143.08575	10.2
145.10138	13.4
147.08022	5.8
147.11688	39.5
161.09666	5.2
161.13257	16.7
163.11240	1.5
169.10120	1.2
171.11690	30.9
184.04868	1.2
189.12743	10.0
195.08057	1.8
206.07381	1.6
207.08040	1.7
207.13777	12.7
219.08076	1.8
221.09686	1.8
234.06683	1.7
235.07523	1.4
236.08345	1.2
249.09100	1.4
250.09856	3.4
251.07111	1.6
257.22778	1.1
265.12314	2.2
281.12128	5.4
281.17514	41.2
281.20624	2.0
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
53.03943	10.3
55.01855	4.6
55.05509	36.5
56.96580	1.4
57.03437	24.8
57.03706	2.8
57.07071	2.0
58.05484	1.4
65.03922	4.3
66.07323	1.2
67.05503	80.0
69.03409	2.1
69.07066	16.0
70.77383	3.2
70.77792	2.6
71.04977	4.1
73.06564	1.5
79.05490	100.0
80.05815	1.7
81.02979	1.5
81.03423	17.1
81.07056	68.1
83.04983	29.2
83.08618	11.2
85.06528	3.4
86.09898	1.9
91.05480	71.2
92.05801	1.8
93.07042	61.9
95.04964	32.1
95.08604	40.8
95.09063	0.9
97.06540	6.9
97.10167	5.7
99.08044	1.5
103.05473	1.9
105.04484	1.5
105.07028	46.6
107.04940	9.5
107.08595	23.0
109.06506	10.1
109.10149	6.5
111.04456	1.7
111.08093	1.7
117.07001	10.3
119.08569	27.7
121.06496	3.3
121.10126	6.1
123.08086	8.3
127.07535	2.5
128.06197	3.9
129.07007	18.2
131.08574	3.3
133.10120	14.0
135.11696	1.7
143.08559	9.8
145.10103	10.9
147.08052	3.8
147.11693	31.6
161.09605	6.5
161.13245	13.1
171.11685	29.3
179.14339	1.9
183.11800	1.4
189.12677	7.3
207.13731	10.9
221.09698	2.7
249.09012	1.6
250.09933	2.8
265.12170	4.4
281.11475	4.4
281.17566	31.2
299.06216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1383
Annotation	Linderagalactone B
Peak:m/z	Relative Intensity
53.03952	6.4
55.01858	15.8
55.05512	19.7
56.75632	2.8
57.03427	11.2
57.07072	5.1
60.68957	2.6
64.28411	2.7
65.03927	5.5
67.05509	35.2
69.03429	28.1
69.07082	17.1
69.48594	5.5
69.49002	20.4
71.04975	15.0
73.02894	3.5
78.88930	2.5
79.05493	35.2
81.03407	7.6
81.07059	70.2
83.04963	13.8
83.08607	8.1
85.02901	27.5
85.06540	15.7
91.05473	47.2
93.07040	59.9
95.04963	31.1
95.08601	44.3
97.02862	12.0
97.05994	2.5
97.06515	20.5
97.10173	7.0
99.04422	9.4
99.74297	3.2
103.05470	5.0
105.07025	73.1
107.04959	8.9
107.08596	74.8
109.02873	3.3
109.06527	31.2
109.10151	33.3
111.04441	6.9
111.08073	7.6
113.02361	41.0
113.05983	3.7
115.03908	3.4
115.05434	8.3
117.07003	17.3
119.04941	22.1
119.08582	40.3
120.08072	5.7
121.02829	5.4
121.06512	15.6
121.10136	20.7
123.04404	7.6
123.08069	18.9
123.11700	24.6
125.06011	4.1
125.09596	9.7
127.03925	6.7
128.06229	10.0
129.05447	3.2
129.07002	19.2
131.03413	23.0
131.04907	5.5
131.08598	39.5
133.06468	23.4
133.10121	87.8
133.11073	5.7
135.04420	4.8
135.08060	13.1
137.05965	8.4
137.09602	6.9
139.07507	3.5
141.01808	9.0
141.05461	6.4
141.07028	7.0
142.07747	5.1
143.07545	3.8
143.08527	26.3
145.06490	14.0
145.10110	53.5
147.08023	26.6
147.11719	17.1
149.05943	6.8
149.09622	16.5
151.07530	10.0
151.11180	68.0
152.11641	3.8
153.05470	12.6
153.09134	3.5
155.07030	5.4
155.08501	5.8
156.09361	14.1
157.05031	3.7
157.06477	6.6
157.10130	16.9
159.08067	11.9
159.11639	17.2
161.06001	13.6
161.09622	14.6
161.13243	9.0
163.07564	10.7
163.11163	12.7
165.05551	2.9
165.06995	4.5
165.09062	6.1
166.07768	5.3
167.07068	7.7
167.08434	3.4
167.10695	9.9
169.10126	4.7
171.07962	3.5
171.11697	33.1
173.05934	7.3
173.09636	15.7
173.13232	11.3
175.07558	15.5
175.11159	15.2
177.09087	7.4
177.61143	3.3
179.07021	8.2
179.10655	3.0
181.04953	19.3
181.08601	6.9
181.10132	6.9
183.06531	6.8
184.08853	3.8
184.11885	2.9
185.09694	4.7
187.11153	15.3
189.05466	9.7
189.09084	7.0
189.12744	23.6
191.06969	5.2
191.10635	8.9
193.08606	6.5
195.08012	4.8
199.11182	45.8
201.12657	4.2
203.10619	15.7
205.08466	6.2
205.12291	10.2
207.08107	6.1
207.10150	7.7
207.13815	3.4
215.10645	6.6
217.12210	47.9
219.10081	5.5
221.06198	3.6
221.08064	10.2
221.09908	3.4
221.11636	7.0
223.09656	5.0
227.10704	24.5
233.11746	12.8
234.06732	5.9
234.10435	3.9
235.07585	8.2
235.13303	39.4
236.08389	3.3
245.11748	32.7
249.09007	6.6
250.09828	10.9
251.06949	11.9
251.09212	16.7
251.12863	4.8
252.07639	16.3
253.14351	4.4
263.09576	4.1
263.12796	68.8
265.08539	3.0
265.12259	6.5
266.09109	11.2
281.10425	45.4
281.13861	100.0
281.18399	4.7
282.10883	3.0
299.06265	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	281.1172
Annotation	Rataniaphenol I
Peak:m/z	Relative Intensity
56.10128	0.4
67.51589	0.3
68.84921	0.3
69.30397	2.7
69.30827	1.8
75.04455	1.0
102.20496	0.3
152.06157	0.9
153.06966	0.8
164.38556	0.4
165.06990	3.5
166.07719	1.0
167.08568	3.2
176.06204	0.6
177.06976	1.6
178.07779	20.6
179.08559	9.2
181.06453	0.7
182.07350	0.5
189.06990	9.1
190.07788	5.0
190.16499	0.4
191.08565	8.1
192.09259	0.9
193.10168	3.7
194.07256	0.5
195.08066	3.7
202.07713	2.3
203.08577	4.2
205.06490	15.8
206.07278	16.3
207.08038	7.4
208.08687	0.4
209.09435	0.4
210.10361	0.5
217.06497	7.0
218.07275	17.5
219.07948	3.9
220.08791	1.9
221.06384	2.1
221.09612	22.6
222.06918	0.4
222.10391	3.3
223.03914	0.7
223.07515	4.2
225.09148	0.6
231.08022	2.2
233.05969	17.3
234.06761	24.1
235.07542	14.1
236.08212	0.5
238.09885	2.8
247.07549	0.7
248.08305	1.1
249.09117	31.8
250.09888	50.3
251.07051	28.4
251.10468	2.2
252.07481	0.8
253.08472	0.9
253.12277	1.5
265.08618	1.6
266.09387	24.5
267.09689	0.6
281.11722	100.0
282.11917	1.9
290.53812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1173
Annotation	Rataniaphenol I
Peak:m/z	Relative Intensity
51.83521	0.6
55.01866	1.4
55.05512	0.6
55.20249	0.5
57.69177	0.6
63.95683	0.5
67.05504	1.0
71.20255	1.7
79.05486	1.1
81.03450	0.6
81.07053	1.3
91.05470	0.9
93.07061	1.6
95.04929	0.6
95.08585	1.5
105.07027	1.4
107.08614	0.8
115.05457	0.8
119.08610	1.3
121.10134	1.5
122.06046	2.3
128.06282	0.8
129.04324	0.6
152.06230	1.4
153.06995	1.3
165.06989	7.4
165.64214	0.5
166.07695	1.0
166.43149	0.6
167.08551	3.8
176.06192	0.7
177.07005	3.9
178.07773	48.7
179.08569	7.5
180.09280	0.8
181.06465	1.5
181.08624	0.9
182.07285	1.4
184.49391	0.6
189.06978	9.7
190.07803	7.7
191.08548	19.8
192.05751	0.9
192.09308	3.1
193.06448	1.7
193.10136	17.1
194.07272	1.2
195.08047	6.3
202.05814	0.9
202.07765	24.7
203.08559	27.1
204.09126	0.6
205.06479	18.1
206.07265	23.8
207.08046	12.8
207.09892	0.4
208.08836	2.2
209.09746	1.3
210.06747	1.5
210.10052	0.6
216.05719	1.0
217.06511	5.6
218.07262	7.7
219.08047	16.3
220.08809	4.9
221.06039	2.4
221.09616	53.9
222.06738	0.8
222.10056	1.1
223.07538	6.2
223.11183	1.7
225.09138	1.4
230.07283	0.9
231.07886	5.9
232.06265	0.5
232.08609	0.6
233.05974	18.5
234.06757	20.2
235.07605	5.0
235.11188	2.4
236.08282	1.5
236.12776	1.7
237.05441	0.7
237.09102	1.8
238.06282	0.7
238.07158	0.7
238.09497	6.8
247.07611	2.9
248.08301	2.1
249.05304	0.7
249.09113	32.4
250.09850	5.0
251.07033	40.2
251.10699	4.6
252.07634	4.3
253.08670	2.6
253.12306	1.3
264.15927	10.3
265.08646	3.4
265.11267	0.5
265.69528	0.6
266.09335	46.2
267.09558	1.6
281.08365	4.2
281.11697	100.0
281.18408	2.0
282.08551	0.6
282.11984	1.9
290.25146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2632
Annotation	linoleamide
Peak:m/z	Relative Intensity
53.03927	1.9
53.52369	0.5
54.42573	0.4
55.01873	0.4
55.05255	0.8
55.05508	15.0
55.05774	0.8
56.04771	0.6
56.05028	6.9
56.24113	0.4
57.03440	2.4
57.07069	5.1
58.02970	2.3
58.06592	0.7
60.04522	2.7
61.02908	1.5
65.03929	1.5
67.04250	0.5
67.05502	23.1
68.05025	2.9
68.05831	0.6
69.03428	5.3
69.07063	16.2
71.04984	1.0
71.08620	1.5
71.65319	0.4
71.65756	0.7
72.04491	1.3
73.02898	0.6
74.06075	0.7
75.16350	0.4
76.31595	0.4
79.05049	0.9
79.05487	13.5
80.05006	3.1
81.03386	0.6
81.07051	19.0
82.06576	9.3
83.04984	2.8
83.08617	8.2
84.08112	1.3
85.02887	1.4
85.10182	1.0
86.06054	3.2
91.03945	1.0
91.05473	10.2
93.07040	9.6
94.06561	4.2
95.04970	2.5
95.07323	0.7
95.08605	14.4
96.08128	2.2
97.06506	1.1
97.10165	4.0
98.04991	0.5
98.06048	1.9
99.04451	0.8
100.07623	2.8
105.07028	4.9
107.07391	0.4
107.08591	10.6
108.08108	1.2
109.06488	1.4
109.10146	5.1
111.04453	1.1
111.08045	0.6
111.11713	0.9
112.07577	1.0
114.09177	1.0
119.02237	0.5
119.08588	5.1
121.10131	3.3
122.03241	0.5
122.09666	1.3
123.11693	1.5
129.05461	1.0
131.08551	0.5
132.83414	0.5
133.10106	3.4
135.08047	7.6
135.11673	2.1
136.11212	0.6
137.13191	0.9
140.10663	0.5
144.81538	0.6
145.10143	0.8
147.04446	0.6
147.11674	1.0
148.04736	1.3
149.02324	3.6
149.13293	0.6
150.02657	4.4
154.12251	1.0
203.03128	0.6
222.09995	1.5
236.10718	0.5
245.22491	0.5
249.09090	1.0
249.11497	1.3
250.09412	1.2
250.25284	6.7
262.25287	4.6
263.23447	0.5
279.99905	0.5
280.06015	0.5
280.10291	3.6
280.13348	1.7
280.26337	100.0
280.74234	0.5
281.11346	0.6
281.26639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.117
Annotation	Rataniaphenol III
Peak:m/z	Relative Intensity
53.48277	0.5
69.93538	2.8
73.03382	0.4
81.98001	0.7
92.03044	0.5
98.20838	0.8
98.97553	0.6
144.48021	0.4
165.07047	1.5
167.08597	1.7
171.08087	1.1
177.07004	0.6
178.07776	17.3
179.08528	2.6
181.06538	2.5
185.06000	0.8
189.06961	6.3
190.07759	3.5
191.08582	2.9
193.06462	0.8
193.10092	1.0
195.08058	7.5
196.08759	0.7
201.06985	0.6
202.07744	3.4
203.08525	1.9
205.06520	5.9
206.07260	18.9
207.08038	2.3
208.08878	1.8
209.06096	0.7
209.09627	2.7
210.06700	2.3
210.10358	3.9
211.07481	1.2
216.05798	1.1
217.06468	2.3
218.07295	6.8
219.08011	2.5
220.05283	0.7
220.08873	1.8
221.09613	40.7
222.10213	0.5
223.07520	4.3
224.08315	6.6
225.09091	2.9
231.07965	0.5
233.05992	0.9
234.06744	19.6
235.07475	2.8
236.08226	0.5
237.09093	1.8
238.09877	12.7
239.10378	0.5
245.07176	0.5
248.04945	0.5
248.08333	1.3
249.09105	73.5
250.09686	1.9
251.07047	1.8
251.10611	1.3
253.12215	2.7
259.08752	0.7
265.08752	0.8
266.09384	16.2
267.40244	0.5
281.11713	100.0
282.12088	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	280.1544
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
51.02383	0.5
55.01859	2.0
56.05011	0.6
56.96551	1.8
57.03424	0.6
57.07056	0.9
60.04513	0.6
61.02927	9.7
67.05486	1.1
68.05849	0.5
69.03422	1.5
69.07067	0.5
70.06596	2.8
70.67574	1.9
71.04992	0.8
72.08154	1.1
73.02901	0.5
74.06090	0.5
79.01865	0.5
79.05508	0.8
81.07051	0.5
83.04961	1.1
84.04495	0.7
84.08138	8.2
85.02895	1.4
86.09695	0.9
87.04453	1.7
91.05463	5.2
93.07041	1.0
95.04942	0.9
95.06020	0.4
95.08597	1.0
95.48999	0.5
97.02887	1.2
98.60507	0.4
98.97581	1.3
103.05438	1.1
105.07024	3.5
107.04977	1.4
107.08571	1.0
111.04439	1.3
115.05404	0.7
116.06214	0.4
116.07098	1.7
116.98596	1.0
117.07001	1.4
118.08571	0.6
119.04951	1.8
119.08601	4.7
120.08134	2.3
121.06489	0.9
121.10128	0.6
123.04414	0.6
123.08102	0.6
125.02335	0.8
128.06212	1.5
129.07018	7.9
129.10211	0.5
130.06541	0.6
131.04929	1.5
131.08577	4.3
132.05724	0.8
132.08060	0.5
133.06453	0.9
133.10129	0.8
134.99706	0.9
135.08002	0.5
136.06421	1.0
136.07558	7.2
137.05998	1.0
137.07930	1.0
139.03900	1.6
142.07773	1.9
144.05684	0.7
145.06436	1.5
145.10129	2.0
146.44044	0.5
147.04347	2.2
147.08046	9.2
147.09088	0.4
149.02336	5.8
149.05995	1.9
149.09601	2.2
150.02669	6.2
150.05453	0.5
155.08551	0.6
157.06470	3.8
157.10083	2.5
159.08070	4.5
160.05214	3.6
161.05991	5.0
161.09682	0.8
163.11237	0.6
167.08621	0.7
173.06027	0.6
173.09677	1.0
174.06798	1.5
174.12755	2.3
175.07541	16.1
177.00694	0.5
177.05507	0.9
177.09094	6.3
178.05005	0.5
179.16551	0.6
185.09636	2.2
187.07562	1.0
188.10651	0.6
189.00705	0.9
189.09102	3.1
190.06416	0.5
191.07010	0.7
191.10701	2.0
193.04344	1.4
195.08069	0.9
201.07591	0.8
201.09256	1.1
202.12206	2.5
203.07076	3.3
203.10619	3.2
205.08629	1.9
212.10800	0.6
213.09128	1.5
215.10716	0.5
216.14160	0.7
217.12343	0.5
219.01854	0.9
219.10168	2.0
230.11746	2.9
231.10213	1.2
233.11653	0.7
244.13283	1.1
245.11684	1.1
248.12801	4.3
253.07069	2.0
262.11536	0.8
262.14337	5.9
263.12735	1.1
266.99893	0.7
280.15442	100.0
281.15714	3.0
283.03036	1.5
299.06155	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03954	1.8
55.05508	8.4
57.07070	2.1
64.20404	0.7
65.03931	2.0
65.81647	0.7
67.05504	91.7
69.07060	8.0
71.05006	1.2
71.52015	1.7
79.05492	12.8
79.05949	0.6
81.07053	100.0
82.07401	0.8
83.05014	0.9
83.08614	4.7
85.06561	1.4
91.05483	4.3
93.07039	12.2
95.08605	79.2
96.08923	1.0
97.06555	1.7
97.10192	1.8
99.08121	0.9
105.07049	3.6
107.08585	9.6
109.06548	0.7
109.10156	24.2
115.07588	0.7
117.07021	2.1
119.08591	3.0
121.06512	0.7
121.10149	7.3
123.08071	0.9
123.11701	15.5
127.07611	0.8
131.08568	6.0
133.10143	3.6
135.08009	0.9
135.11716	4.8
137.09602	1.0
137.13245	10.4
145.10136	5.4
147.11681	2.8
149.02364	5.9
149.09656	1.9
149.13181	4.0
151.14810	4.2
153.09183	0.8
159.11697	7.8
161.13271	1.6
163.11223	2.0
163.14810	2.3
165.12662	0.9
165.16435	0.9
167.10634	0.9
173.13249	6.5
177.12781	2.5
179.14330	1.4
181.12201	1.3
185.11101	0.6
187.14766	3.8
191.14336	2.1
195.13791	2.1
201.16377	5.1
209.15273	3.2
221.09676	0.9
223.16899	2.7
243.21198	2.5
261.22134	2.2
279.10086	1.6
279.23199	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.77615	1.0
55.05513	8.7
55.28717	1.1
57.07079	14.8
65.03931	2.4
67.05504	74.6
69.07054	8.9
70.07687	6.2
71.04979	2.5
79.05492	10.5
81.07054	78.8
83.04977	1.2
83.08618	5.7
91.05469	6.2
91.09004	1.0
93.07039	13.6
95.04937	1.6
95.08608	57.1
97.06548	2.0
97.10178	2.2
98.21439	1.8
105.07040	6.0
107.08602	9.6
109.06512	1.6
109.10155	20.1
117.07040	3.0
119.08569	4.6
121.02856	4.5
121.06495	1.8
121.10139	6.0
123.11690	10.0
131.08575	6.3
133.10135	4.5
135.07964	1.4
135.11690	5.4
137.09552	1.5
137.13255	6.6
144.09344	1.3
145.10126	5.8
147.04407	4.6
147.11623	3.1
149.02339	100.0
149.13251	3.8
150.02652	3.1
151.14795	2.8
157.10103	3.1
159.11742	6.7
161.13254	2.2
163.14789	2.1
165.07010	1.3
166.07797	1.4
167.03398	3.3
169.10077	2.2
173.13316	5.6
173.31168	1.3
177.12758	2.0
178.07761	4.8
179.08347	1.8
181.09995	1.9
185.13226	1.4
189.07005	1.5
190.05014	1.3
190.07611	1.5
195.11736	2.3
195.13803	2.6
201.16379	4.9
206.07291	4.4
208.08919	1.6
209.13268	1.7
209.15349	2.4
219.05843	2.6
219.07924	1.9
219.17451	1.6
221.09660	8.5
221.13295	2.2
223.11183	1.6
223.14827	4.1
228.61560	1.3
234.06818	1.9
237.16325	1.4
243.21141	2.1
247.07549	3.2
249.09064	5.3
261.22107	1.5
268.59470	1.3
279.10153	23.1
279.17596	2.1
279.20877	7.7
279.23578	14.4
280.10208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01865	0.7
55.05510	10.2
57.03446	0.8
57.07072	6.3
65.03939	3.6
67.05502	98.6
68.05824	0.9
69.07064	10.4
71.04996	1.0
71.62792	0.8
79.05490	13.8
81.07054	100.0
82.07411	1.2
83.04971	1.0
83.08620	5.6
83.27421	0.6
85.06535	1.4
91.05466	5.2
93.07043	14.0
95.04975	1.3
95.08604	85.7
96.08953	0.9
97.06521	1.6
97.10178	3.1
105.07009	5.3
107.04909	0.6
107.08588	9.9
109.06503	1.2
109.10153	44.4
111.11695	1.1
115.64951	0.7
117.07021	2.4
119.08576	4.6
121.02896	1.1
121.10136	7.5
123.08086	2.0
123.11700	24.5
123.12586	1.2
124.12092	0.7
127.07593	0.8
131.08559	4.6
133.10120	4.0
135.08121	1.0
135.11681	5.6
137.09641	1.8
137.13245	9.0
140.94730	0.7
145.10141	4.0
147.04428	1.1
147.11674	3.4
149.02341	24.1
149.09621	2.4
149.13260	2.8
150.02672	0.9
151.11142	1.8
151.14832	2.7
153.09093	0.8
159.11691	3.8
161.13271	2.1
163.11218	1.9
163.14816	2.0
165.12737	1.8
165.16383	0.7
166.79103	0.8
167.03476	0.9
167.10741	0.7
167.35373	0.6
171.11731	0.5
173.13223	3.3
177.12805	1.7
177.16330	1.1
178.07790	1.9
179.14349	0.8
181.12289	1.9
187.14760	3.1
191.14291	1.7
195.13835	2.6
201.16469	1.8
205.15871	1.2
206.07263	1.1
209.15359	3.4
219.05746	0.9
219.07993	0.6
219.17500	0.9
219.20959	0.8
221.09644	3.3
223.16885	3.2
234.06725	0.9
237.18454	1.1
243.21115	4.1
243.23274	0.8
249.09123	2.0
261.22150	5.3
279.10251	6.6
279.19965	2.3
279.23178	39.3
280.10190	0.7
280.13477	0.9
280.23523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.61472	0.7
52.32173	0.7
53.03950	1.4
55.05507	8.0
57.07072	3.4
65.03944	2.5
67.05503	100.0
68.05824	0.9
69.07068	8.3
71.05017	1.0
71.08650	0.7
71.52146	1.3
75.69630	0.7
79.05495	12.0
81.07054	92.8
82.07383	1.4
83.04999	1.5
83.08614	5.0
85.06538	2.5
91.05476	3.5
93.07048	9.5
95.08604	74.2
97.06535	2.5
97.10156	1.7
105.07031	2.8
107.08604	6.9
109.06559	0.8
109.10151	22.7
117.06996	1.2
119.08565	2.3
121.10151	6.7
123.08100	1.8
123.11694	12.1
127.07606	0.7
131.08560	4.9
133.10085	1.9
135.08034	1.0
135.11708	4.3
137.09561	0.7
137.13242	9.2
137.16365	0.7
142.43083	0.7
145.10118	2.2
147.11678	2.9
149.02338	5.7
149.09604	1.3
149.13272	3.7
151.14854	3.7
152.12952	0.7
159.11700	3.3
161.13290	1.4
163.11133	1.0
163.14813	1.2
165.16400	0.8
173.13264	5.3
177.12686	1.6
181.12199	1.8
187.14771	1.8
191.14227	1.9
195.13704	1.8
201.16432	0.9
205.15901	0.8
209.15305	2.1
223.16847	1.8
230.04466	0.7
243.20970	1.6
261.22064	2.5
267.44513	0.7
279.09933	1.8
279.23175	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	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.21758	0.5
53.03934	1.6
55.01857	0.6
55.05507	10.4
57.03433	1.4
57.07071	6.5
60.95839	0.8
65.03932	3.7
67.05501	100.0
68.05840	1.2
69.03438	0.7
69.07062	10.6
71.04990	1.5
72.96210	0.5
73.29101	0.6
79.05051	1.1
79.05489	14.0
81.07053	100.0
82.07381	0.7
83.04962	1.7
83.08613	6.4
85.06536	1.5
91.05472	6.5
93.07040	14.4
95.04963	1.4
95.08603	78.8
95.44416	0.5
96.08945	0.6
97.06535	1.8
97.10167	3.5
98.97549	0.6
99.08142	0.6
101.06010	0.7
105.07040	5.8
107.08594	10.0
109.06532	0.9
109.10154	51.4
111.08073	0.9
111.11723	1.2
113.09699	0.7
117.07014	2.3
119.04938	2.5
119.08578	4.7
121.02854	1.8
121.06541	0.8
121.10136	9.8
121.10899	0.3
123.08057	1.9
123.11703	24.8
125.09607	0.8
131.08548	5.0
133.10172	3.6
135.08115	1.3
135.11700	6.1
137.09637	1.3
137.13232	8.7
142.07809	0.7
143.08646	0.7
145.10112	5.4
147.04396	7.9
147.11655	2.8
149.02338	34.0
149.09599	2.2
149.13264	3.4
150.02721	1.0
151.11203	2.0
151.14792	1.9
152.75520	0.6
153.00540	1.2
157.10121	0.8
158.03259	0.8
159.11725	3.0
161.13293	3.5
163.11209	1.9
163.14832	2.5
165.12790	1.2
165.16389	1.0
167.03384	0.9
167.10655	0.7
169.53984	0.6
173.13274	4.6
175.14828	0.9
177.12772	1.4
177.16333	1.0
178.07782	2.2
179.14310	0.8
181.12216	1.7
185.13177	0.7
187.14836	3.1
190.07852	0.7
191.14284	2.0
195.13792	2.1
201.16415	2.1
205.15810	1.2
206.07317	1.7
209.15379	2.4
218.07280	0.9
219.05736	0.8
219.08054	1.0
219.17552	1.2
221.09618	4.2
221.13039	0.7
223.14915	0.9
223.16838	2.7
229.21939	0.6
233.13095	0.6
234.06862	1.3
237.18391	1.3
243.21103	3.5
247.07626	0.7
249.09282	2.9
249.11392	0.7
261.22116	3.9
271.22314	0.6
279.10272	10.2
279.20667	1.7
279.23224	35.8
280.10114	0.6
280.23746	0.7
283.53394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.05509	7.0
57.07077	2.5
59.75986	0.6
65.03941	2.4
67.05506	100.0
67.86417	0.6
68.05838	1.3
69.07076	8.0
69.72195	4.9
71.05003	1.7
79.05498	10.5
81.07059	96.5
83.04990	0.9
83.08632	4.4
85.06542	0.8
89.37653	0.6
91.05483	3.5
93.07047	8.4
95.04956	1.2
95.08609	73.1
97.06554	1.0
97.10176	2.0
105.07046	2.7
107.08586	6.0
109.10160	46.0
111.11730	0.8
115.07529	0.6
117.07021	1.1
119.08588	2.8
121.10131	5.1
123.08091	1.3
123.11713	27.5
131.08589	2.7
133.10149	1.4
135.11682	3.4
137.13257	9.3
145.10098	1.7
147.04425	1.5
147.11678	2.1
149.02347	9.9
149.09608	1.2
149.13240	2.2
151.11259	0.7
151.14854	2.5
159.11707	1.8
161.13341	1.4
163.11230	1.6
163.14809	1.2
165.12830	0.7
173.13306	2.4
177.12794	1.5
179.14296	1.3
181.12265	1.2
187.14822	2.8
191.14265	1.0
195.13873	1.5
209.15370	2.2
219.17496	0.9
223.14894	0.8
223.17033	2.1
223.38414	0.7
237.18423	1.0
243.21136	1.9
261.22217	3.9
279.09769	1.0
279.23209	30.5
280.23486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Paralemnolin D
Peak:m/z	Relative Intensity
51.45260	1.6
55.05504	3.3
57.07065	5.4
67.05505	11.0
68.29667	1.8
69.07062	4.7
70.35644	8.0
79.05491	10.2
81.07050	20.6
83.04967	1.7
90.82666	1.8
91.05475	13.7
93.07039	21.5
95.04964	2.4
95.08607	28.8
97.85690	1.7
98.21410	2.5
105.07029	32.3
107.08593	25.9
109.06495	2.9
109.10157	11.4
117.07011	12.1
119.08574	21.7
121.10128	13.7
123.08047	3.0
123.11702	2.8
129.06998	3.1
130.07756	5.9
131.08562	29.2
133.10135	10.2
135.11714	3.7
143.08569	3.4
145.10114	58.2
147.04362	6.2
147.11667	5.8
149.02348	33.0
157.10114	4.3
159.11691	46.1
161.13237	11.1
163.11252	2.6
173.13263	15.8
186.14098	3.3
191.17906	2.2
201.16394	100.0
219.17462	11.4
221.09618	4.3
261.18634	2.4
279.10172	11.7
279.19540	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.0
57.07070	13.3
62.36290	1.5
65.03931	1.6
67.05493	16.1
67.81717	1.5
69.07046	5.4
69.87712	11.2
79.05474	7.7
81.07056	22.0
83.08597	2.3
85.06552	2.8
91.05474	8.9
93.07027	11.6
94.07339	2.1
95.04972	2.0
95.08598	19.8
97.06486	2.2
99.08044	2.6
105.07010	15.6
107.08576	10.0
109.10107	8.6
110.22974	1.6
117.06986	4.0
119.04906	3.2
119.08575	11.5
121.02870	4.2
121.10128	5.0
123.11692	2.8
131.08577	8.2
133.10100	6.1
134.10483	1.8
140.06799	1.7
145.10088	12.9
147.04425	14.6
147.11610	1.9
149.02328	100.0
159.11679	11.8
161.13229	9.7
167.03349	1.7
173.13248	3.6
178.07761	3.0
189.07088	1.7
190.07658	2.4
197.28874	1.9
201.16386	15.9
206.07253	3.7
219.07953	1.8
219.17397	4.9
221.09642	13.3
234.06602	2.1
247.07658	2.3
249.09074	7.0
279.10147	28.5
279.23126	3.9
280.10220	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
57.07077	7.9
65.03941	1.2
67.05505	9.7
69.07064	5.3
71.46722	1.1
71.64602	1.4
79.05485	7.3
81.07056	17.0
83.08627	2.3
91.05482	11.7
93.07041	16.4
95.08604	21.0
96.14396	1.1
97.10176	1.2
105.07023	21.6
107.08590	19.1
109.10143	5.8
109.67151	1.0
115.05415	1.3
117.07026	9.4
119.08578	14.8
120.20422	1.0
121.02850	2.8
121.10146	10.4
123.08067	1.6
129.07011	5.8
130.07745	3.4
131.07578	1.5
131.08569	23.9
133.10168	7.1
135.11667	1.5
139.95085	0.9
141.06979	2.1
142.07771	1.8
143.08586	6.6
144.09341	3.7
145.10121	47.4
146.10907	1.0
147.04395	3.8
147.11670	3.3
149.02342	47.9
153.06941	2.0
154.07866	1.0
155.08575	6.3
156.09280	1.7
157.10104	7.7
159.11691	38.4
159.13029	1.9
160.12361	0.9
161.13225	3.0
165.06995	4.5
166.07741	2.3
167.08540	7.7
168.09354	1.3
169.10133	6.3
171.11697	6.4
172.12500	1.4
173.13251	8.7
178.07677	1.5
179.08517	5.9
180.09244	2.8
181.10118	14.8
182.10789	2.2
183.11694	7.6
185.13275	5.5
186.13985	1.2
193.10136	7.6
194.10909	5.5
195.11714	15.9
196.12451	1.9
197.13269	4.8
199.14844	2.8
201.16380	62.5
207.11725	4.9
208.12471	7.7
209.13240	17.7
210.13943	1.2
211.14755	3.3
219.11714	1.1
219.17390	3.8
221.09689	1.3
221.13248	10.9
222.13977	3.8
223.11191	3.1
223.14812	40.8
224.15623	1.4
235.14853	3.9
236.15617	3.6
237.12706	1.2
237.16368	11.8
249.09326	1.1
249.16393	5.5
250.17241	2.2
251.18021	5.2
261.16266	1.9
264.18594	4.1
279.09995	3.5
279.17532	8.2
279.21048	100.0
280.21237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.6
57.03420	3.2
57.07061	9.9
67.05495	14.0
69.07057	10.0
69.31656	4.8
69.32070	25.1
71.04981	4.4
75.04462	2.9
79.05486	18.8
81.07050	43.5
83.04982	3.3
83.08613	8.5
91.05476	27.9
92.24855	2.5
93.07032	42.6
95.04974	3.3
95.08597	41.5
97.06543	4.0
105.07014	69.3
107.07869	2.8
107.08582	55.4
107.09266	3.0
109.10145	20.9
111.08086	2.4
115.05359	2.7
117.06982	17.4
119.04908	3.5
119.08564	47.1
121.02851	3.0
121.10114	35.0
123.08028	2.8
123.11712	4.0
124.24766	2.3
128.06241	2.9
129.06985	3.8
130.07779	7.3
131.08549	35.2
133.10127	40.4
135.08054	19.2
135.11678	42.8
143.08586	4.8
144.09358	6.7
145.10110	68.3
147.04437	11.5
147.11641	11.3
149.02335	49.8
157.09991	3.4
159.11674	53.6
161.13231	22.3
163.11180	3.0
163.14796	5.1
165.06993	2.9
173.13203	13.3
175.14949	5.3
177.12753	9.0
178.07768	19.8
189.07025	7.9
190.07765	6.8
191.08556	3.3
191.17957	11.0
192.09366	3.1
201.16362	85.2
201.18236	4.3
202.07722	4.5
205.06505	6.8
206.07243	15.6
208.08801	5.8
218.07333	6.6
219.08063	5.4
219.17444	34.4
221.09605	47.2
222.09908	2.3
223.11215	4.5
231.08018	2.6
234.06674	13.6
235.07376	3.1
235.30833	2.8
236.08235	4.7
247.07515	4.2
248.08263	2.7
249.09129	31.4
260.08899	2.7
261.18503	4.5
264.07663	5.0
279.10190	100.0
279.19571	6.9
280.10562	7.2
297.71909	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	279.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.07062	4.7
58.74564	1.4
67.05499	9.2
69.07055	3.9
79.05470	8.4
81.07045	16.7
91.05463	12.8
93.07029	17.6
95.08603	26.7
97.06519	1.9
98.21588	3.0
103.05418	2.1
105.06363	2.8
105.07024	34.1
107.08591	29.7
109.10130	6.0
110.95157	1.6
115.05429	1.9
116.29697	1.6
116.65687	1.6
117.07004	13.7
119.08567	18.6
121.10149	12.9
125.40434	1.7
129.07004	3.8
130.07762	5.2
131.08568	29.1
132.78087	1.6
133.10121	9.2
135.11652	1.8
143.08528	4.4
144.09303	4.6
145.10112	76.1
146.10805	2.4
147.04433	5.8
147.11661	4.9
149.02357	27.3
157.10072	3.1
159.11682	49.0
161.13272	4.1
169.22447	1.4
171.11661	1.5
172.12411	1.9
173.13257	14.4
174.52000	1.5
175.14749	1.9
178.07726	3.8
201.16371	100.0
202.16705	2.4
206.07202	2.7
208.08667	2.2
218.99734	1.8
219.17426	2.8
221.09576	6.3
229.69748	2.3
249.09062	4.3
279.10220	17.0
279.19446	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.4
57.07076	20.2
67.05492	25.5
69.07062	17.1
71.01949	15.0
71.02289	13.6
79.05480	26.9
81.07056	72.3
91.05467	32.3
93.07034	56.1
95.04932	12.1
95.08603	38.4
105.07011	68.8
107.08595	53.2
109.06495	8.4
109.10149	24.5
111.95889	7.5
117.06989	22.7
119.04945	8.7
119.08575	45.4
121.10131	31.7
131.08571	31.0
133.10126	35.6
135.11674	19.2
145.10112	61.8
147.04398	33.3
149.02356	100.0
149.13231	24.5
159.11676	43.8
161.13278	59.3
163.14870	9.0
173.13266	9.8
178.07733	8.5
201.16425	35.0
206.07388	9.7
214.59998	7.5
219.17395	13.8
221.09602	23.1
226.72411	7.9
249.09116	15.9
279.10181	40.1
290.57468	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	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.0
57.07080	17.5
57.92796	3.1
67.05492	16.6
69.07066	17.4
71.04984	4.1
71.65574	4.9
71.65963	6.4
79.05486	18.6
81.07042	54.6
83.08593	8.7
91.05479	30.1
93.07024	48.6
95.08603	54.5
97.06543	4.4
97.10200	3.9
100.13039	3.3
105.07021	93.5
107.08578	64.6
109.10144	33.0
117.07021	17.7
119.04902	4.3
119.08569	63.3
121.02872	4.0
121.10129	39.5
123.08094	8.5
123.11696	7.6
131.08551	53.5
133.06386	4.5
133.10120	40.3
135.08058	11.2
135.11659	40.5
139.11192	4.5
144.09351	6.8
145.10114	57.8
147.04376	16.5
147.11681	11.6
149.01134	5.2
149.02330	100.0
149.13235	12.1
151.11235	4.4
157.10127	5.4
159.11674	53.9
161.13254	47.5
173.13252	19.7
175.14859	6.7
177.12762	5.3
178.07747	9.3
189.06993	4.5
191.17960	20.3
198.09695	3.6
201.16371	92.9
206.07092	8.3
218.07141	4.1
219.07803	12.1
219.17422	40.7
221.09587	20.0
234.09981	14.8
247.07487	5.5
249.09084	8.3
279.10172	39.6
279.19611	6.8
280.10580	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	279.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95141	4.3
55.01847	4.5
67.05496	12.9
68.04868	4.9
69.07053	12.8
70.67348	11.6
70.67723	9.0
71.04990	5.8
73.44933	5.1
77.17512	5.4
79.05495	18.8
81.07056	37.1
91.05482	18.8
93.07063	31.4
95.08600	39.7
105.07030	78.3
106.42771	4.9
107.08588	60.7
109.10153	10.0
117.07006	15.2
119.08587	48.7
121.10172	29.1
130.07841	5.5
131.08559	39.9
133.10124	38.1
135.08032	13.0
135.11699	44.8
143.04378	5.3
145.10138	69.5
147.11658	9.8
149.02348	15.9
159.02425	5.1
159.11678	53.9
161.13274	20.0
173.13283	9.6
178.07805	11.6
191.17982	10.9
201.16379	100.0
206.07423	6.5
219.17416	38.6
221.09628	20.0
234.56659	5.4
249.09122	14.3
279.10156	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35569	1.8
53.03938	2.5
53.37064	1.5
55.05505	4.5
57.07068	16.8
59.04994	1.9
65.03923	3.1
67.05494	12.3
69.07063	7.7
70.36795	3.9
70.37188	4.8
79.05476	12.9
81.07063	21.0
83.08630	2.8
87.19387	1.5
91.05472	16.8
92.56748	1.8
93.07035	24.0
93.79245	1.9
95.04975	4.6
95.08596	31.9
98.85365	1.9
105.07018	31.6
107.08591	27.3
109.06512	2.3
109.10167	9.6
111.08077	2.4
117.07015	13.1
119.04948	5.1
119.08575	24.3
121.02863	6.4
121.10137	13.8
123.08064	3.0
123.11690	2.4
129.06964	3.9
130.07814	5.4
131.08565	35.2
133.10152	10.4
135.11652	3.3
142.07776	2.0
143.08580	5.6
144.09355	5.2
145.10117	70.8
146.10829	3.1
147.04388	16.2
147.11681	6.5
149.02332	100.0
149.09636	2.4
150.02788	2.1
157.10124	6.7
159.08081	2.5
159.11687	50.1
161.13278	6.8
163.35092	1.7
167.03348	2.6
168.56355	2.0
173.13275	12.9
178.07788	10.8
185.13358	2.3
186.14078	2.6
187.11182	6.0
189.07036	2.7
190.07855	4.3
201.16373	93.0
202.16663	2.6
205.06569	2.4
206.07265	9.5
208.08826	2.4
218.07112	2.7
219.05615	5.5
219.07800	3.3
219.17468	6.2
221.09654	25.1
229.12331	2.9
234.06717	5.1
236.08293	2.4
247.07611	5.7
249.09103	12.6
264.07819	3.3
279.10172	48.4
279.19550	4.3
280.10413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39976	1.0
53.03941	1.1
55.05499	2.9
56.96550	1.6
57.07071	14.8
59.74306	1.2
60.06619	1.1
65.03940	2.1
67.05506	10.4
69.07057	5.4
71.08640	1.2
71.64240	1.5
71.64617	2.1
73.74665	1.1
79.05488	5.4
81.07054	13.6
83.04978	1.4
91.05470	9.7
92.13176	1.2
93.07034	13.6
95.04948	2.5
95.08604	21.2
97.06499	1.7
105.07023	17.0
107.08593	18.2
107.12051	1.5
109.06522	2.0
109.10142	5.7
116.98594	1.4
117.07010	7.3
119.04945	5.7
119.08565	12.3
121.02888	6.0
121.03954	1.1
121.10152	7.3
123.04411	2.1
123.08096	2.2
123.11691	1.8
129.06955	3.3
130.07819	2.2
131.08565	17.0
133.10143	7.4
135.11691	3.5
143.08571	2.8
144.09351	2.1
145.10117	35.0
147.04407	17.1
147.11650	3.0
149.02336	100.0
149.09694	2.0
149.13237	1.6
157.10112	2.0
159.11681	24.3
160.12030	1.6
161.13248	4.1
163.11113	1.8
167.03363	1.9
173.13303	6.1
177.00755	1.8
178.07773	8.5
189.06982	1.5
190.07729	2.2
191.08531	2.6
193.10138	1.5
201.16371	44.3
206.07262	6.5
208.08730	1.5
218.07275	2.8
219.05817	2.9
219.07933	2.6
219.17378	5.6
221.09644	13.8
223.11200	2.1
233.09720	1.4
234.06802	3.3
235.07509	1.2
236.08360	1.7
247.07556	3.4
249.09160	7.9
261.18549	1.9
264.07751	2.1
279.10233	34.7
279.16394	1.3
279.19400	1.6
280.19135	1.4
280.26349	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61299	0.4
57.07079	2.9
67.05496	0.9
69.03416	0.6
69.07101	0.6
70.62814	1.9
79.05498	0.6
81.07056	0.4
81.87041	0.4
83.05022	0.8
85.02885	1.5
86.09704	64.0
87.10044	0.7
91.05482	1.9
93.07047	1.7
95.08591	0.6
98.97565	0.4
103.05470	5.5
105.07053	1.1
119.04939	0.9
119.08532	0.6
120.08102	87.2
121.02891	1.0
121.08479	1.0
132.10167	1.3
133.06412	0.5
136.07594	1.5
147.04398	5.0
149.02341	18.6
154.08640	0.9
161.05960	0.6
165.07005	3.4
166.08658	6.5
167.03374	0.6
167.08548	0.9
169.43953	0.5
177.06967	1.1
178.07742	2.5
179.08522	3.2
180.09355	1.8
181.04958	1.4
189.06940	2.6
190.07764	8.9
191.08539	6.8
192.09334	1.1
193.06526	1.1
193.10162	1.5
194.07365	0.6
195.07996	1.0
202.07750	3.2
203.08566	4.6
205.06531	1.9
207.08014	1.6
208.08891	1.2
217.06502	0.9
218.07268	11.4
219.08047	9.6
220.08797	1.7
221.06110	2.3
221.09666	1.4
222.06732	2.6
223.07523	2.2
229.13286	0.7
230.07033	0.5
231.08044	1.5
232.08873	0.7
233.09642	1.2
233.16629	1.1
235.07558	2.2
236.08388	3.3
245.05984	1.1
246.06685	3.5
247.07556	21.3
248.08249	7.9
249.05383	1.2
249.09061	2.8
251.07079	4.0
251.10658	3.4
251.60262	0.5
261.09061	1.1
263.07028	37.9
264.07806	64.3
265.08170	5.1
279.10172	100.0
279.16608	4.6
280.10449	7.5
299.52829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1014
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
52.21874	0.2
60.15466	0.3
61.19297	0.3
68.74008	0.3
70.14315	1.2
107.06786	0.2
129.46677	0.2
152.06207	0.7
163.05489	0.4
165.06966	2.1
166.07747	0.3
176.06215	0.6
177.06978	0.6
178.07774	23.4
179.08432	0.8
180.09290	1.0
182.07300	0.3
188.06168	0.4
189.06973	6.6
190.07768	6.7
191.08556	3.3
192.09369	1.3
193.06500	1.0
193.10162	0.8
195.08032	0.5
202.07745	3.5
203.08551	1.6
205.06496	5.5
206.07260	19.8
207.07996	1.3
208.08838	5.4
209.09503	0.6
216.05664	0.8
217.06395	2.2
218.07254	8.5
219.07982	2.7
220.05307	0.5
220.08855	2.5
221.09608	53.7
222.09921	1.8
223.11169	4.8
230.07285	0.6
231.08145	0.6
233.05940	0.4
233.09618	4.0
234.06755	12.7
235.07506	2.6
236.08311	4.9
237.08911	0.4
242.18311	0.3
246.06847	0.8
247.07494	1.9
248.08249	2.2
249.09099	29.9
250.06038	0.3
250.09521	1.7
251.07051	0.7
251.10672	1.5
252.07913	0.4
259.08658	0.7
261.09064	2.2
262.09845	0.6
263.07037	1.2
264.07794	3.7
277.08704	0.3
278.09302	0.4
279.10150	100.0
280.10535	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	279.1013
Annotation	Ovalitenin A
Peak:m/z	Relative Intensity
54.98563	0.2
57.07018	0.5
57.07267	0.2
61.83770	0.2
65.03871	0.3
69.03352	0.2
69.07002	0.4
69.91021	0.4
69.91430	0.9
72.08120	0.2
79.05383	0.2
86.09699	2.2
91.05453	1.5
95.08530	0.5
107.04906	0.2
111.04430	0.2
119.04921	3.7
119.08484	0.4
120.08014	0.4
120.93127	0.2
121.02792	0.5
138.44942	0.2
139.03816	0.3
147.04398	13.8
148.04718	0.3
149.02336	4.0
165.07018	1.9
167.08414	0.3
177.06931	0.4
178.07756	2.6
179.08499	2.3
180.09338	1.6
189.06938	2.5
190.07764	8.1
191.08537	5.5
192.09248	0.8
193.06474	1.0
193.10106	2.0
194.07204	0.5
195.08006	0.4
196.56966	0.2
202.07730	3.4
203.06691	0.3
203.08543	4.8
205.06458	1.1
205.10057	0.8
206.07159	0.4
207.08020	1.8
207.94659	0.2
208.08801	1.5
209.09544	0.4
215.08466	0.4
217.06421	1.2
218.07257	10.0
219.08034	9.1
220.08824	1.1
221.06052	1.3
221.09547	1.3
222.06741	2.9
223.07455	0.9
229.06395	0.4
230.07210	0.6
231.07988	1.5
232.08821	0.5
233.09660	1.1
234.06749	0.3
235.07529	2.3
236.08325	2.6
245.06003	1.1
246.06741	2.8
247.07532	17.3
248.08287	6.8
249.09094	2.5
251.07030	0.5
251.10666	0.8
252.07712	0.3
261.09094	0.6
262.10043	0.2
263.07025	36.9
264.07788	61.3
265.08197	2.0
279.10153	100.0
280.07568	0.4
280.10480	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	279.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.07071	2.1
65.03933	1.0
66.59784	0.2
67.05515	0.5
69.03414	0.7
70.04494	0.3
70.04903	0.9
70.06582	0.7
71.05000	0.4
72.08141	0.2
79.05495	0.4
81.07037	0.5
86.09699	1.8
91.05478	10.3
93.07044	0.6
95.04960	0.5
95.08595	0.6
97.02892	0.3
98.97580	0.3
103.05460	0.8
105.07030	0.7
107.08618	0.3
108.03489	0.2
112.49924	0.3
115.05437	0.3
119.04940	25.0
119.08552	0.7
120.01156	0.3
120.08105	17.1
121.02878	0.8
123.08086	0.3
123.76852	0.2
131.08559	0.3
132.10202	0.5
133.06461	0.4
145.10153	0.3
147.04407	100.0
148.04755	0.8
149.02338	14.6
161.05981	0.4
165.05551	0.4
165.06952	0.3
166.07782	0.4
167.03441	0.3
178.07823	0.3
179.08551	0.2
181.04930	0.3
190.07808	0.4
191.08508	0.6
193.06436	0.3
194.07297	0.3
195.08110	0.3
205.06551	0.5
208.08902	0.5
219.08046	0.8
219.10039	0.3
221.06131	0.5
221.07974	0.4
223.07533	0.4
233.16463	0.5
236.08397	1.6
247.07507	0.5
251.07056	0.3
251.10591	1.1
259.40070	0.2
264.07840	0.4
279.08444	7.3
279.16849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.3
57.07019	1.4
62.33314	0.3
65.03925	1.4
67.05461	0.3
69.03390	0.8
69.07056	1.3
70.06561	0.4
71.04942	0.3
79.05476	0.3
81.07024	0.4
82.70932	0.2
84.58123	0.3
86.09706	8.5
91.05478	12.2
93.03374	0.3
95.04935	0.5
95.08565	0.7
97.02830	0.5
98.21602	0.5
105.07017	0.5
106.17657	0.3
107.04886	0.3
107.08570	0.3
109.10133	0.4
119.04942	30.2
119.08540	0.6
120.08049	0.9
121.02850	0.7
131.08568	0.4
133.10100	0.3
137.05963	0.6
138.06320	0.6
147.04405	100.0
148.04736	1.0
149.02338	11.7
165.05608	0.4
165.06924	1.3
167.03497	0.3
177.06927	0.4
178.07788	2.2
179.08623	1.2
180.09325	0.9
189.07005	1.6
190.07784	5.0
191.08568	4.5
192.09425	0.4
193.06566	0.5
193.10199	0.9
202.07800	1.7
203.08568	2.9
205.06543	1.3
205.10176	0.5
206.07362	0.4
207.08095	1.1
208.08804	1.3
217.06592	0.9
218.07251	6.0
219.08037	5.5
219.10066	0.3
220.08836	0.8
221.06096	0.8
221.09709	1.1
222.06789	1.8
223.07692	0.3
227.22148	0.3
229.40991	0.3
230.07228	0.6
231.08194	0.7
233.09763	0.6
235.07620	1.2
236.08362	2.1
245.06039	0.5
246.06783	1.4
247.07535	10.5
248.08357	3.5
249.09088	1.4
250.06325	0.3
251.10716	2.4
261.09134	0.6
263.07037	21.9
264.07809	32.3
265.08359	0.7
279.10309	53.8
280.10626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21405	0.6
56.96558	10.9
71.63966	0.7
71.95245	1.4
82.06230	0.5
84.96037	1.7
85.02891	1.1
98.97575	100.0
100.99134	1.5
101.00845	1.1
110.96801	1.1
110.97564	17.3
111.01325	0.8
112.76163	0.6
112.99110	1.2
116.98609	59.3
119.00146	0.6
119.01930	1.8
121.01706	1.5
122.51430	0.6
123.70056	0.5
123.97728	0.6
128.98593	22.2
128.99553	1.3
131.00159	1.8
131.01880	1.0
131.51962	0.7
132.01768	1.3
132.98076	0.8
134.99652	23.7
137.51990	0.8
138.01744	1.4
140.00229	1.9
141.32024	0.6
143.00139	4.6
143.01888	1.2
146.99634	13.1
147.02266	0.9
149.02335	1.9
150.99165	0.7
152.52438	0.7
152.66318	0.7
153.00696	2.7
153.02222	1.0
155.00131	0.6
158.01230	1.2
158.99643	44.1
161.01228	4.2
161.02968	1.1
162.00089	0.6
163.02754	0.7
165.00780	2.8
165.02063	0.6
168.02872	1.4
170.99640	10.3
173.02942	0.6
173.53069	1.5
174.79420	0.6
177.00702	83.1
178.01236	0.7
182.53442	0.7
183.01804	0.7
183.03343	1.0
188.53561	0.8
189.00699	31.6
191.02350	0.8
193.00128	1.2
195.01799	6.1
197.54118	1.6
198.01181	0.7
198.04063	0.7
200.02277	5.4
201.00755	0.6
203.03984	1.0
207.01761	23.3
209.76396	0.7
212.02208	1.2
218.54417	0.7
219.01735	9.5
225.02780	2.8
230.03331	1.7
237.02791	19.3
243.25877	0.7
249.02777	1.9
255.03873	14.4
260.04489	1.3
273.05069	0.7
279.04138	10.6
279.07559	5.8
295.92810	0.6
297.04935	6.0
297.08173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51213	0.6
56.96561	23.0
58.30062	0.8
67.40610	0.9
71.03085	0.7
71.18043	1.9
71.95245	1.0
84.96032	7.8
93.25296	0.7
94.02456	0.8
98.49984	0.8
98.97580	100.0
102.94180	0.7
102.97055	1.2
110.97576	6.8
112.99128	2.7
116.98617	56.4
119.01924	2.1
122.00008	0.8
124.99118	5.2
128.98599	8.5
131.00192	3.5
131.99980	0.7
134.99658	18.6
139.00702	1.3
140.00256	2.1
140.98557	4.3
143.00163	21.7
144.98097	0.8
146.99593	4.2
148.78728	0.8
150.99107	1.1
153.00671	1.5
153.21150	0.7
155.00221	0.8
158.01224	1.3
158.89270	0.8
158.99651	41.7
161.01208	15.3
161.02885	1.6
165.00742	1.3
170.99667	1.8
173.01207	1.2
174.99158	1.6
177.00716	66.1
178.01044	1.2
179.02226	1.9
189.00641	4.5
191.02312	0.8
192.01302	0.7
193.00182	1.7
193.94334	0.7
195.01741	6.9
197.54066	0.9
200.02292	3.4
206.51778	0.8
207.01646	3.6
212.54543	0.9
218.54741	1.1
219.01743	12.6
237.02821	64.4
239.05971	1.4
244.80766	0.9
255.03865	80.2
256.04230	0.8
257.14948	0.7
260.04395	3.3
273.04922	4.6
278.05374	2.8
279.03842	24.6
279.07208	1.2
297.04904	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	0.8
56.96565	15.6
57.03418	0.9
57.07059	1.1
61.02926	1.1
64.69569	0.7
69.03423	2.0
70.06581	1.1
70.19974	3.0
71.95256	0.8
73.02906	1.0
74.97624	0.7
84.96012	1.7
85.02894	2.6
86.09719	0.7
93.01604	0.7
97.02878	2.5
98.97581	100.0
102.96828	0.7
110.97565	27.3
111.04420	1.1
112.99164	0.6
116.07107	0.8
116.98618	58.0
119.34672	0.6
127.03933	0.8
128.98602	29.7
131.00201	1.8
131.01846	0.6
134.98630	1.3
134.99654	20.4
139.03886	2.0
140.00185	1.8
140.98558	0.8
143.00154	3.5
146.99652	17.8
147.04367	0.7
147.29413	0.6
149.00064	0.5
149.01266	1.0
149.02318	6.7
152.98592	0.8
153.00742	1.9
158.01291	0.9
158.99657	35.0
161.01237	2.5
163.03957	1.0
165.00746	3.1
170.01274	0.9
170.99664	12.9
177.00710	63.5
178.01123	0.6
181.05003	0.9
189.00708	36.3
190.98615	0.9
195.01764	6.2
200.02290	3.7
201.00775	1.7
207.01778	19.3
211.02771	0.9
212.02405	1.4
219.01752	4.8
221.04977	0.6
225.02846	1.8
229.03726	0.8
232.99706	0.7
237.02805	12.2
255.03864	11.0
260.04651	0.8
279.03867	8.3
279.07327	1.3
281.01636	0.6
297.04773	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	278.0935
Annotation	Sclerotigenin
Peak:m/z	Relative Intensity
53.10693	0.1
56.38185	0.2
57.01370	0.2
58.80800	0.2
58.81270	0.2
65.93951	0.2
67.43189	0.2
69.56522	0.7
69.56948	0.8
83.46733	0.2
89.03866	0.2
92.98615	0.2
97.06520	0.2
98.06839	0.3
104.84038	0.2
132.05295	0.2
160.01340	0.2
164.04211	0.3
164.41695	0.2
165.06978	0.5
176.06247	0.5
176.77882	0.2
177.06982	5.3
178.07733	0.5
179.08531	1.7
189.06953	1.4
190.07732	0.4
191.08536	0.6
205.06479	16.9
206.06895	0.3
207.08122	1.3
216.07387	0.4
217.06485	1.3
218.07118	0.2
219.08031	1.5
220.08824	2.1
221.05887	0.2
221.09532	0.4
223.07465	0.2
224.08299	0.3
233.05962	4.0
234.06587	0.3
235.07526	37.9
236.07883	0.8
245.05975	0.3
246.06595	0.2
247.07549	3.4
247.09848	0.3
248.08354	1.2
249.09085	0.6
251.06941	0.2
259.07571	0.4
262.06366	0.8
262.08823	0.2
263.07019	40.0
264.07428	1.0
277.08606	2.6
278.09357	100.0
279.06451	0.8
279.09726	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83638	0.2
57.04044	0.3
69.07072	0.6
71.63644	0.4
74.91670	0.3
81.07078	0.4
91.04725	0.3
93.07043	0.3
93.87794	0.3
97.06542	1.0
98.06880	1.0
99.63071	0.3
140.59479	0.3
147.04446	0.6
162.02774	0.3
163.03816	0.6
164.04179	0.4
165.07036	0.6
173.02397	0.3
174.02701	0.7
176.06168	0.3
177.07008	0.7
178.07745	3.6
178.09178	0.3
179.08557	24.6
180.08932	0.3
189.07028	2.2
190.07762	1.1
191.08565	0.4
193.06496	0.5
203.08496	0.5
205.06508	1.4
206.07281	0.4
207.08060	15.9
208.08485	0.4
216.07341	1.4
217.06512	0.8
218.07274	1.7
219.08084	2.0
221.05995	0.7
231.08096	1.3
232.08946	0.3
233.05948	2.6
234.06787	1.8
235.07542	51.7
236.07899	1.2
245.05962	2.8
246.06750	5.6
246.09186	3.0
247.07492	3.4
247.09947	4.4
248.08051	0.8
249.09076	2.4
250.08617	0.6
259.07489	5.2
260.08075	1.9
261.05511	2.1
261.09067	0.6
262.06232	7.9
263.07031	95.7
264.07440	2.0
277.08600	20.4
278.09357	100.0
279.09781	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	277.9494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	0.7
56.96564	8.8
57.07072	0.6
69.93163	1.8
69.93583	1.3
71.95246	1.0
98.97591	19.3
116.98622	15.8
117.14982	0.5
117.98987	1.0
118.03502	0.5
119.01933	4.2
120.02017	1.0
120.97912	0.6
132.56688	0.5
132.96533	1.0
134.99669	11.7
136.00034	0.9
137.02954	1.8
137.50014	1.1
138.79013	0.7
140.00250	1.4
142.03502	2.3
153.00685	1.7
156.97440	0.7
158.01311	1.1
160.04597	0.6
174.75710	0.6
174.97620	5.8
177.00867	0.7
185.10170	0.5
189.93872	0.8
190.95534	0.6
192.98747	7.0
194.91199	3.2
196.92789	0.6
197.00642	2.0
212.92284	15.4
215.01765	1.0
216.98663	0.9
218.91281	2.4
219.02495	0.9
220.02188	0.8
230.93346	29.7
234.99736	1.7
235.16956	1.0
236.92339	2.5
237.03809	0.6
243.95003	1.3
244.45322	0.7
245.92105	2.2
248.94421	13.1
251.99051	1.1
252.49248	0.9
254.93330	17.0
256.96585	2.2
258.94699	0.7
259.61368	1.1
259.94406	0.6
259.99933	1.1
263.93396	4.6
267.28537	1.5
270.91223	1.7
271.96143	0.8
272.94397	100.0
273.44403	0.7
273.94513	1.9
274.94635	0.8
274.97549	1.1
277.95001	2.1
278.01010	1.6
278.07889	1.1
279.91797	1.3
281.93768	0.8
282.41940	0.7
284.45206	1.1
288.92343	1.6
290.92435	2.4
290.95447	68.9
291.95590	1.1
295.95923	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.57524	1.6
53.03934	5.4
55.01861	7.4
55.05516	26.8
57.03419	4.2
57.07066	6.2
65.03922	3.1
67.05504	60.0
68.96424	1.9
69.03432	3.1
69.07066	22.1
69.31792	7.3
69.32222	15.9
71.04982	3.9
71.08626	5.5
75.15099	2.3
79.05492	69.5
80.05823	2.0
81.07056	59.8
83.04981	5.2
83.08624	11.8
85.06544	5.8
91.05482	47.4
92.92516	1.7
93.07043	100.0
95.04970	16.7
95.08605	44.1
97.06512	14.4
97.10155	4.3
98.21510	3.5
99.08092	5.4
105.07034	45.8
107.04961	4.1
107.08591	70.5
109.06513	11.3
109.10146	22.0
111.08090	6.0
117.07023	10.0
119.08583	33.2
121.06514	9.5
121.10139	46.0
123.08065	7.1
123.11685	4.1
125.09653	4.3
128.06219	3.5
129.07010	8.8
131.08545	15.1
133.06503	3.0
133.10147	29.4
135.08104	3.0
135.11699	40.7
137.09590	5.6
141.06911	2.0
142.07811	9.1
143.08543	19.9
145.10120	13.3
147.08041	5.4
147.11705	16.3
149.09700	4.2
149.13257	22.2
151.11191	4.1
156.09294	2.4
157.10153	21.7
159.11719	23.7
161.09627	8.3
161.13243	11.8
163.11180	5.5
163.14815	5.2
165.12733	4.4
171.11722	10.3
173.13304	5.7
175.07571	2.1
175.11198	2.3
175.14948	4.4
177.16357	2.3
179.10709	2.9
179.14378	2.5
185.13326	5.4
189.12743	5.2
189.16331	9.4
191.03433	2.8
191.07048	3.0
199.14810	19.1
207.11748	2.3
217.15874	23.7
217.19406	2.3
221.13330	3.5
231.20865	2.5
235.16896	12.7
241.19586	4.6
259.09702	2.7
259.13638	2.2
259.16827	2.0
259.20609	10.2
277.07129	2.4
277.18301	13.1
277.21689	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02369	0.8
53.03934	5.2
55.01850	2.8
55.05266	1.4
55.05507	21.2
55.69019	0.9
57.03416	1.5
57.07052	3.2
65.03925	2.5
67.05499	44.1
68.27541	0.8
69.06726	1.0
69.07065	17.6
69.55595	8.2
71.04974	2.3
71.08628	23.3
73.06509	0.9
77.03901	1.8
79.05488	69.4
81.03407	4.3
81.07050	58.9
83.04979	4.7
83.08608	9.2
85.06512	2.5
91.05474	31.9
93.07039	100.0
95.04952	11.6
95.08598	37.9
97.06519	5.5
97.10181	4.2
99.07475	1.4
99.08088	18.7
105.04533	1.2
105.07018	19.6
107.04932	3.9
107.08587	57.8
109.06479	3.5
109.10151	10.5
111.08044	1.9
111.11690	0.9
113.09643	0.9
117.07004	3.6
119.08573	14.5
121.06483	1.8
121.10135	47.6
122.80159	0.9
123.08056	1.4
123.11672	2.4
125.09589	1.7
127.07470	1.0
129.06996	2.6
131.08546	5.1
133.09233	1.0
133.10135	10.7
135.08060	1.2
135.11685	60.6
137.09589	3.5
139.11133	1.0
141.09068	2.9
143.08553	3.2
145.10109	5.6
147.08006	1.0
147.11670	7.2
149.09610	1.7
149.13254	15.9
151.11169	12.0
153.12677	1.5
157.10124	2.0
159.11671	3.5
161.13245	8.9
163.11143	3.6
163.14792	4.1
165.12715	1.4
167.10669	2.5
171.11710	2.8
173.13240	1.5
175.11108	1.4
175.14810	2.1
177.12767	2.1
177.16451	1.2
179.12721	1.3
179.14285	22.0
181.12195	2.2
185.13177	2.1
189.12761	2.1
193.12042	1.0
195.13799	2.8
199.14781	1.6
207.13821	2.1
213.16457	1.1
217.15912	1.0
217.19478	1.2
221.15329	4.4
231.17517	1.2
235.16882	5.5
241.19406	1.6
259.20425	4.7
277.18384	3.0
277.21597	75.9
278.21875	2.1
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	Stearidonic acid
Peak:m/z	Relative Intensity
53.03941	7.3
55.05503	18.3
56.82882	1.7
57.07067	2.5
62.20915	1.7
67.05500	34.0
69.07065	11.7
70.46032	5.2
79.05488	84.3
81.07056	36.4
83.08611	5.9
85.06514	2.2
91.05479	31.9
91.23598	2.2
93.07036	100.0
95.04949	9.1
95.08598	22.2
97.10158	4.7
105.07027	18.2
107.08589	46.7
109.06472	2.3
109.10152	12.3
117.07024	2.8
119.08550	9.6
121.10133	41.4
123.11736	2.9
131.08563	4.0
133.10155	11.1
135.11685	46.7
143.08582	2.9
145.10107	2.7
147.11664	6.4
149.09572	2.5
149.13260	20.2
159.11620	3.3
161.13303	4.7
163.14865	6.7
173.13174	2.5
175.14787	2.3
177.41096	2.0
213.16370	4.0
220.76524	2.0
221.15466	2.4
235.17076	3.4
259.20551	4.3
277.21613	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
53.45881	1.8
55.01871	2.4
55.05512	21.4
61.86862	1.9
67.05507	32.6
69.07068	19.4
71.52992	4.4
75.23878	2.2
79.05492	75.3
81.07058	38.0
83.04978	3.0
83.08603	8.3
87.65516	2.1
88.27795	2.0
91.05482	28.0
93.07047	100.0
95.04975	6.9
95.08617	25.1
97.06499	2.2
97.10151	2.6
105.07032	13.0
107.08591	51.0
107.23219	2.0
109.06467	2.5
109.10142	13.7
117.07034	3.7
119.08569	10.8
121.10141	44.0
123.11706	2.7
131.08609	3.6
133.10175	12.4
135.11688	52.8
145.10129	4.2
147.11679	7.3
149.13243	24.1
157.10120	3.0
159.11693	3.3
161.13246	5.1
163.11064	2.1
163.14835	5.8
171.11641	2.7
177.05876	2.2
185.13208	3.7
199.14861	4.3
235.16907	4.3
259.20627	3.9
277.19376	2.3
277.21652	59.8
296.79565	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	5.7
55.01873	4.4
55.05257	1.7
55.05505	23.5
55.18561	0.8
57.02487	1.1
57.03432	1.6
57.07067	5.4
58.32844	1.1
65.03915	2.6
67.05499	45.3
69.07060	16.2
70.81026	3.2
71.04980	1.9
71.08626	20.4
74.90891	0.9
77.03904	1.7
79.05483	73.2
81.03411	4.8
81.07048	56.5
83.04961	4.2
83.08617	9.7
85.06528	3.0
85.92829	1.0
91.04893	1.0
91.05469	29.7
93.07034	100.0
94.07347	1.5
95.04955	12.7
95.08596	36.9
97.06522	6.5
97.10175	4.9
99.08079	13.2
100.44158	0.9
105.04491	1.0
105.07021	21.1
107.04959	4.2
107.08582	57.0
109.06519	3.8
109.10136	11.3
111.08076	1.0
117.06998	4.1
119.08568	16.8
121.06400	1.2
121.10123	41.5
123.08053	2.7
123.11699	2.0
125.09625	1.4
129.06999	2.3
131.08557	6.8
133.10110	12.8
135.08051	1.6
135.11679	52.3
137.09575	3.7
137.13324	1.0
141.09088	2.5
143.08536	3.3
145.10080	5.4
147.11652	7.4
149.02341	1.4
149.09621	1.4
149.13228	16.7
151.11180	8.9
153.12740	1.1
157.10085	2.2
159.11656	4.6
161.09573	1.9
161.13252	7.7
163.11168	3.9
163.14801	3.8
165.12717	1.9
167.10663	3.1
171.11647	2.4
173.13240	2.5
175.11143	1.3
175.14764	2.4
177.12654	2.5
179.14308	19.3
185.13217	2.6
189.12755	2.7
194.86693	1.1
195.13799	1.8
199.14790	2.3
207.13794	1.7
213.16409	1.0
217.15794	1.4
221.15363	4.5
235.16888	2.8
241.19490	3.0
259.20572	5.4
277.21616	81.6
278.22043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1798
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03942	4.8
55.05512	18.8
55.79396	1.3
57.07071	4.7
61.60284	1.8
65.03909	1.9
67.05501	30.1
69.07066	19.5
70.15920	1.2
70.55320	3.4
70.55712	3.3
71.05001	2.1
71.58989	1.6
77.03959	1.9
79.05488	62.4
81.07055	49.1
83.04972	3.0
83.08614	6.8
84.82110	1.6
85.06522	1.7
91.05476	30.3
92.64275	1.5
93.07037	90.3
95.04971	9.5
95.08604	25.5
97.06520	2.4
97.10160	3.9
97.12073	1.4
105.04475	1.9
105.07027	31.2
107.08592	100.0
109.06537	7.3
109.10146	8.3
111.08081	3.5
117.07043	4.9
117.86190	1.8
119.06029	2.0
119.08579	22.9
121.06535	3.0
121.10139	38.6
123.11676	3.2
125.09596	2.4
128.06223	6.1
129.06995	7.1
131.08559	12.3
133.10123	17.0
135.08089	2.8
135.11681	40.9
136.90767	1.7
141.07039	2.5
142.07768	15.7
143.08551	28.7
144.09349	2.2
145.10138	6.6
147.08069	2.4
147.11694	15.9
148.08942	1.7
149.13272	17.6
155.08553	4.0
156.09351	6.6
157.10130	53.9
158.10892	2.1
159.11668	16.6
161.09631	4.6
161.13200	3.9
163.14810	3.7
169.10173	2.5
170.10947	4.8
171.11671	17.9
173.13286	8.0
175.11201	6.1
175.14865	2.7
177.16438	1.9
184.12479	3.4
189.16393	7.8
199.14822	89.7
200.14964	2.2
217.15874	20.2
221.13361	1.7
221.15343	2.9
223.88704	1.9
235.16875	4.0
259.20645	3.1
265.51279	1.8
277.18179	10.2
277.21674	45.9
299.00970	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1797
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03936	7.0
55.05500	29.7
55.74335	3.6
57.03451	5.3
57.07063	9.3
62.66330	3.8
67.05500	58.9
67.56873	4.1
69.07072	33.3
70.06551	5.2
70.55076	14.5
71.04958	3.7
71.08617	9.1
77.67252	3.5
79.05487	67.3
81.07053	72.0
83.04967	9.7
83.08605	9.7
85.06538	5.3
91.05475	56.5
93.07036	100.0
95.04974	25.7
95.08593	56.3
97.06510	17.7
97.10120	5.6
98.20847	4.8
99.08070	7.3
105.07024	78.7
107.04967	6.9
107.08588	79.0
109.06532	10.1
109.10157	34.9
115.05389	4.3
117.07042	20.1
119.08582	53.8
121.06487	8.1
121.10139	52.1
123.08069	8.0
128.06200	12.0
129.06992	24.0
130.07788	3.9
131.08568	29.5
133.10117	43.0
135.08054	9.7
135.11676	42.2
137.09575	20.5
142.07765	14.4
143.08531	35.7
145.10117	21.4
147.08026	11.4
147.11674	22.4
149.09637	7.0
149.13242	18.5
151.03896	7.1
151.11171	7.2
156.09309	8.0
157.10127	47.6
159.11688	26.6
161.09607	17.3
161.13264	21.0
162.06757	7.5
163.03809	4.7
163.11153	7.6
163.14743	4.7
167.08603	5.8
169.10152	6.9
171.11674	20.9
173.13211	7.9
175.07513	9.7
175.11163	11.5
175.14792	6.2
179.08533	7.1
180.07768	6.3
181.10127	5.9
184.12398	4.4
185.13144	7.6
187.14835	4.7
189.12830	6.5
189.16397	24.5
191.08551	4.4
192.09389	8.6
193.08572	27.9
193.10124	8.7
199.14824	35.5
204.09222	5.2
204.75317	4.3
205.10168	5.8
206.10828	20.4
207.11708	14.8
209.13318	6.2
217.12233	14.5
217.15866	79.0
219.11717	8.8
220.12354	7.3
221.13286	38.0
233.13197	13.2
234.13997	5.7
235.13087	42.3
235.16954	17.4
247.14807	19.5
261.67380	4.0
262.17130	6.6
277.06982	4.7
277.14258	12.2
277.19318	67.3
277.21719	58.3
278.08176	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	277.1796
Annotation	Buddledin A
Peak:m/z	Relative Intensity
53.03953	1.3
55.01871	3.7
55.05524	7.5
57.07064	1.4
67.05496	11.9
67.32130	1.3
69.03427	1.6
69.07071	6.2
70.30813	3.0
70.31210	2.3
71.05009	1.5
79.05494	17.3
81.07052	34.1
83.04981	2.7
83.08609	1.3
85.06545	1.4
88.49002	1.3
91.05473	15.2
93.07043	23.9
95.04967	7.1
95.08596	13.9
97.06538	4.1
98.21430	1.2
98.97607	1.5
105.04484	1.2
105.07030	30.4
107.08591	22.8
109.06510	8.7
109.10144	5.4
111.04449	3.3
117.07021	5.7
119.08586	16.3
121.06564	1.5
121.10133	17.9
122.44225	1.2
123.08080	2.3
123.11729	4.8
125.05966	2.3
128.06229	3.4
129.06992	5.9
131.08548	11.0
133.10130	14.6
135.08142	2.1
135.11676	11.0
137.05972	36.8
137.09555	2.7
141.07007	1.7
142.07806	6.7
143.08557	13.5
144.09361	3.1
145.10165	8.0
147.08049	3.5
147.11699	8.4
149.09627	3.0
149.13248	11.8
156.09325	2.8
157.10135	21.2
159.11690	40.2
159.13016	2.1
161.09610	6.6
161.13257	7.8
163.11105	1.7
163.14859	1.6
171.11722	5.5
173.13272	2.6
175.11191	5.8
175.14743	1.9
177.12749	53.4
179.14386	1.7
184.12558	2.3
189.12869	2.0
189.16388	5.7
195.13817	6.6
199.14819	22.7
203.17917	2.2
213.16405	1.3
217.15878	100.0
218.16164	2.7
223.14835	1.2
231.17436	2.2
235.16930	48.2
259.10040	1.4
277.18005	18.5
277.21628	14.0
277.28195	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Spirodysin
Peak:m/z	Relative Intensity
50.48534	1.3
53.03928	2.8
53.57010	1.3
54.94141	1.3
55.05497	6.6
55.23970	1.2
57.03428	2.2
57.07066	3.1
65.03939	1.7
67.05502	15.3
69.03423	2.0
69.07059	9.6
69.86936	10.0
71.04983	2.9
79.05488	21.2
81.07053	43.9
83.05000	2.9
83.08612	2.5
91.05478	30.2
93.07037	37.8
95.04953	7.6
95.08601	23.2
97.06519	5.5
97.10172	2.0
98.21496	1.5
99.59640	1.2
103.05466	3.1
105.07023	100.0
106.07368	2.8
107.04992	1.2
107.08586	34.3
107.09282	2.4
108.65508	1.3
109.06520	12.8
109.10147	13.1
109.21852	1.4
115.05426	2.1
116.06254	1.6
117.05520	1.6
117.06998	11.1
119.08575	56.9
121.06496	3.5
121.10133	13.3
121.10806	1.4
121.64025	1.4
123.08070	7.7
123.11652	1.5
128.06247	10.1
129.06998	11.7
130.07767	2.3
131.08557	25.3
133.06477	1.7
133.10129	29.3
135.08063	2.8
135.11696	3.8
136.88725	1.5
137.09642	5.4
140.03882	2.1
141.06992	2.4
142.07759	15.9
143.08545	44.7
144.09338	5.4
145.10112	18.7
147.08058	5.5
147.11688	15.8
149.09589	2.1
149.13220	2.0
155.08597	2.7
156.09354	5.5
157.10120	56.1
158.10759	3.3
159.11684	51.3
161.09607	13.7
161.13245	48.6
163.11157	1.7
169.10094	3.2
170.10945	3.1
171.11693	17.2
173.13254	16.4
175.11182	6.2
175.14804	9.9
177.12744	3.5
184.12456	4.5
187.14832	5.3
189.12682	3.8
189.16386	13.0
199.14806	64.9
200.15178	1.9
207.95024	1.7
209.11865	1.7
217.15868	87.4
235.16914	29.8
235.90211	1.5
259.09647	1.5
277.17993	29.8
277.21295	2.8
277.28271	4.9
280.43985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1796
Annotation	Spirodysin
Peak:m/z	Relative Intensity
51.91464	1.1
53.03943	5.2
55.01857	1.9
55.05254	1.3
55.05508	15.2
57.03429	1.4
57.07069	4.8
65.03919	2.7
67.05500	20.2
69.03414	3.6
69.07062	9.9
70.08366	4.1
70.08778	2.1
71.04995	2.5
79.05486	46.8
81.03393	3.2
81.07050	100.0
82.07387	1.7
83.04971	24.2
83.08618	6.0
85.06574	1.1
86.57877	1.0
88.40377	1.0
91.05473	30.9
92.05814	1.2
93.07033	47.9
95.04964	12.0
95.08602	25.2
97.06528	6.6
97.10147	2.0
98.21438	1.3
103.05463	2.2
105.07021	59.0
107.04925	2.0
107.08586	29.6
109.06516	8.1
109.10139	15.7
111.08097	3.0
115.05434	2.8
116.06219	1.5
117.07004	9.1
119.08573	43.1
119.84750	1.1
121.06498	4.3
121.10139	26.7
121.11005	1.7
123.08046	6.2
123.11716	1.4
128.06180	6.8
129.06982	11.2
130.07788	2.1
131.08559	23.8
133.06494	2.4
133.10124	25.5
135.08023	4.7
135.11700	6.9
135.73564	1.0
137.09569	5.3
141.06960	3.6
142.07782	13.0
143.08546	22.8
144.09338	4.6
145.10095	12.2
146.10799	1.0
147.08054	7.6
147.11679	16.7
149.02318	3.1
149.09592	20.4
149.13251	2.2
156.09340	3.9
157.10123	29.9
158.10873	2.1
159.11679	35.5
160.11986	1.5
161.09599	14.3
161.13249	14.1
163.11221	1.8
169.10118	3.1
170.10936	2.4
171.11687	10.9
173.09529	1.1
173.13225	12.6
174.10403	1.6
175.11171	8.6
175.14793	4.1
177.12759	1.2
179.10707	1.6
183.11621	1.2
184.12439	2.7
187.14818	2.6
189.12755	2.0
189.16386	8.2
191.03342	1.0
193.08687	1.3
199.14806	23.2
202.13385	1.3
209.11717	30.0
213.31703	1.0
217.15863	44.1
218.16211	1.3
221.11543	1.2
235.13162	1.1
235.16925	5.3
241.29993	1.0
259.09766	2.1
259.20572	1.1
277.14841	2.1
277.17975	39.1
277.21555	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	277.1796
Annotation	Acetoxymarsupellone
Peak:m/z	Relative Intensity
54.82199	2.2
55.05497	4.1
60.58165	1.9
67.05492	5.6
69.07069	4.6
69.88365	13.1
71.04970	4.1
71.84860	1.8
79.05481	6.7
81.07044	19.6
91.05476	6.0
93.07053	11.8
95.04949	7.7
95.08602	9.7
105.07025	20.9
107.08619	9.8
109.06525	5.9
109.10123	5.6
110.40293	2.0
117.05493	3.3
117.07009	5.5
119.08562	16.4
121.10154	11.1
123.08048	3.4
127.85717	2.1
129.06992	3.1
131.08574	9.4
133.10123	7.1
135.08055	2.9
137.09586	2.1
142.07756	10.4
143.08582	17.5
144.09378	3.9
145.10127	8.3
147.11694	8.4
157.10120	30.6
157.43773	2.3
159.11688	30.7
161.09633	4.7
161.13246	10.0
164.49203	2.1
169.10092	2.2
171.11719	8.1
175.11159	3.0
177.47374	2.3
189.16371	4.8
199.14828	43.9
217.15875	100.0
218.16226	3.3
235.16917	13.7
277.17993	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	277.1797
Annotation	Watsonol B
Peak:m/z	Relative Intensity
55.05509	3.2
57.22541	0.8
67.05487	4.5
69.03409	1.5
69.07052	3.4
69.54370	8.0
70.88409	0.8
71.04982	2.3
79.05489	5.6
81.07051	17.8
83.04983	0.9
85.06537	0.9
88.43805	0.9
91.05474	6.2
93.07026	10.2
95.04955	8.3
95.08598	10.7
97.06526	2.7
98.20739	1.2
105.07023	19.0
105.31842	0.8
107.08577	10.9
109.06525	5.1
109.10146	5.6
111.08093	1.3
115.05458	0.9
117.07004	3.8
119.08573	15.1
121.06520	1.7
121.10126	8.6
123.08060	2.7
125.05984	1.3
127.07577	0.9
128.06267	1.7
129.07016	4.8
131.08527	6.3
133.06509	1.0
133.10129	8.7
135.08064	1.6
135.11665	1.6
137.09616	2.1
142.07785	7.5
143.08556	11.9
144.09341	2.8
145.10115	4.7
147.08052	1.3
147.11659	6.4
149.09621	1.5
155.08511	1.0
156.09308	2.4
157.10118	25.3
158.10672	1.1
159.11684	19.9
161.09592	5.4
161.13208	4.2
163.03874	1.3
169.10161	1.8
170.10870	1.2
171.11583	4.2
173.13251	2.8
175.11234	4.3
175.14777	2.0
177.12787	1.4
184.12521	1.6
188.24438	0.8
189.16422	4.5
192.53835	1.0
199.14812	28.8
217.15866	100.0
218.09529	1.0
218.16142	4.2
235.07626	1.1
235.16901	10.7
236.10713	4.4
243.56781	1.0
255.08862	0.9
259.09631	1.9
259.16974	1.4
277.17972	10.1
278.09161	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	277.1797
Annotation	Spirodysin
Peak:m/z	Relative Intensity
53.03933	6.5
55.01857	5.1
55.05510	22.1
57.03441	2.5
57.07074	8.8
62.77879	1.7
65.03925	2.0
67.05502	51.6
67.05865	2.4
69.03430	1.8
69.06712	2.1
69.07063	23.8
71.04974	4.6
71.08620	7.7
71.64965	3.4
73.45221	1.6
73.88297	1.7
79.05486	80.8
80.05816	1.7
81.03417	3.3
81.07050	68.6
82.81016	1.7
83.04969	5.9
83.08603	10.9
85.06537	4.1
91.05473	50.6
93.07038	100.0
95.04982	15.3
95.08600	47.3
97.06541	11.6
97.10158	5.4
99.08075	4.6
100.23474	1.8
103.05416	2.4
105.04551	2.2
105.07021	56.7
107.04942	2.6
107.08591	73.0
109.06522	8.7
109.10138	24.3
111.08086	7.1
115.05410	3.3
117.07013	9.7
119.08578	41.4
121.06505	14.6
121.09296	2.9
121.10133	39.1
123.08064	6.8
123.11666	4.7
125.09598	3.1
128.06189	4.7
129.07013	11.3
131.08556	19.5
133.06493	2.3
133.10117	26.6
135.04439	2.1
135.08069	4.3
135.11678	41.6
137.05930	2.5
137.09605	5.7
140.07349	2.2
142.07748	7.9
143.08556	30.0
144.09348	3.4
145.10143	18.0
147.04292	2.1
147.08022	6.0
147.11693	20.6
149.09586	5.8
149.13234	21.0
151.11200	5.4
155.08496	3.1
156.09357	5.2
157.10133	28.4
159.11667	28.0
161.09624	10.5
161.13219	12.2
163.03859	1.7
163.11188	5.7
163.14799	8.7
165.12720	3.1
169.10182	3.3
170.10846	2.8
171.11664	11.8
173.13251	9.5
175.07576	1.8
175.11217	6.1
175.14787	6.9
177.12718	2.3
179.10690	2.4
181.08493	2.0
183.11549	1.7
185.13240	5.2
189.12752	4.3
189.16267	8.0
192.28320	1.7
195.13808	3.0
199.14827	26.1
201.09087	1.7
207.11737	2.6
207.13741	2.7
209.88252	1.8
213.16302	2.4
217.15875	41.4
217.19379	2.9
221.13371	2.0
221.15329	2.6
226.89340	1.9
235.16916	15.0
241.19548	4.0
256.14276	1.7
259.09680	4.3
259.20615	10.0
277.06677	2.4
277.18164	18.9
277.21634	83.4
278.08652	1.6
280.66800	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	276.0654
Annotation	3-Nitrobenzanthrone
Peak:m/z	Relative Intensity
55.85412	0.2
62.53208	0.2
63.61543	0.2
69.60963	0.4
69.61373	1.2
91.08723	0.2
91.44004	0.2
93.07069	0.2
98.20715	0.2
123.29234	0.2
131.78619	0.2
142.47844	0.2
165.06953	0.2
166.06468	0.2
179.10356	0.2
184.07634	0.2
190.06416	1.4
191.07245	0.4
192.08084	1.7
194.05983	0.9
218.05948	1.5
219.06790	1.4
220.07556	4.4
222.05482	2.7
224.91672	0.2
246.97716	0.2
247.06293	0.3
248.07062	5.6
250.04924	1.0
259.09766	0.2
270.64508	0.2
271.40875	0.2
276.06543	100.0
277.06796	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	277.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82723	0.6
53.03932	1.0
55.01871	1.1
55.05501	1.2
56.05027	1.0
56.96562	11.7
57.03443	2.7
57.03659	0.6
58.99858	1.4
59.58573	0.5
60.04496	0.6
61.02925	4.6
67.05515	0.6
69.03423	5.8
69.24036	0.5
69.64010	3.5
69.64429	1.2
70.06590	12.0
70.98109	1.2
71.04985	1.6
72.08141	1.9
73.02921	2.9
77.00897	1.5
79.05496	0.6
80.05029	1.0
81.03413	2.9
82.99870	2.6
83.05013	0.6
84.00618	0.8
84.04517	0.9
84.08141	3.8
84.96032	1.9
85.02905	6.0
86.09702	0.7
86.99316	0.9
87.04464	1.0
88.99150	1.1
89.00888	0.8
91.03971	0.7
97.02888	9.8
97.19330	0.5
98.03223	0.7
98.06051	0.7
98.97578	11.6
99.04449	2.1
100.00074	0.6
101.00876	23.9
103.00623	1.0
103.02428	0.7
104.48086	0.5
105.00378	1.8
107.00219	0.8
109.02907	3.5
110.07132	0.8
110.97568	2.2
111.04429	1.2
112.05089	1.1
112.08737	1.9
112.99129	2.0
113.00855	3.1
115.01677	0.8
115.02412	3.8
115.03913	0.9
116.07085	1.0
116.98634	6.9
118.01128	1.1
119.01917	80.1
119.80226	0.8
120.02022	1.7
120.08103	1.1
121.01651	5.4
127.02413	1.7
127.03931	1.4
128.98624	3.7
129.03932	1.0
129.10260	0.9
130.09731	0.7
130.99220	0.6
131.00330	3.3
131.01900	21.5
133.01701	1.4
133.03458	12.9
133.04993	0.6
134.05219	0.6
134.99673	2.7
137.00853	0.6
137.02951	17.5
139.02531	2.4
140.07170	0.5
142.03467	3.0
143.00166	1.4
143.01894	27.4
144.07712	0.9
144.98073	0.6
145.01657	1.4
145.03453	16.3
145.06023	0.8
145.08015	1.0
146.99658	3.1
147.01375	2.5
147.03282	1.1
147.04990	2.4
149.01245	3.2
149.02959	4.8
149.04758	1.2
151.02539	0.6
151.04527	2.0
154.03368	0.7
154.08621	1.3
155.01888	12.1
155.03085	0.8
156.02602	0.8
157.03456	18.6
158.99609	1.6
159.01385	1.6
159.05061	2.9
160.02170	1.3
160.04500	0.8
161.02948	100.0
162.03107	1.7
163.02742	1.5
163.04552	3.7
165.00729	2.0
165.04271	0.7
165.05862	0.5
167.01923	4.0
168.05037	0.8
169.03375	2.8
170.01457	0.7
170.06100	1.0
170.99655	0.9
171.05028	3.1
173.01462	0.9
173.02948	24.5
174.08815	0.9
175.02795	1.8
175.04514	13.2
177.00763	2.8
177.06113	1.6
178.04823	1.3
179.04042	3.6
181.03819	0.6
184.02135	0.6
184.04559	4.0
185.01373	0.7
185.02936	18.6
187.02821	0.7
187.04515	8.6
189.00719	1.8
189.02499	0.8
189.04295	1.3
189.06076	1.9
191.02386	1.1
191.03978	7.5
193.05589	0.7
195.07143	0.9
196.04565	1.1
196.06702	1.4
197.02922	10.0
197.04755	0.7
198.06186	1.0
199.02798	0.9
199.04550	2.2
201.00708	0.8
201.06032	1.0
203.02242	1.1
203.04012	12.7
205.03882	1.1
205.05603	4.8
207.01773	1.5
208.04565	1.0
209.03123	1.3
211.01060	0.6
211.04787	0.6
215.04027	4.7
217.00154	0.8
217.03757	1.4
217.05591	2.1
219.01657	2.7
219.07190	1.2
221.05002	3.5
223.04718	0.7
227.04088	2.0
235.06636	1.9
235.16905	1.0
237.02811	5.0
245.05074	39.5
246.05273	1.1
247.06697	0.9
249.02692	0.7
253.07709	1.6
259.06775	1.0
263.06137	4.3
272.14517	0.6
277.03415	7.8
277.07693	84.6
278.07828	2.6
295.03558	1.0
295.06949	2.6
295.09070	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	2.2
55.01862	4.5
55.05508	17.4
57.03422	2.9
57.07075	0.9
62.87937	0.7
65.03929	2.3
67.05500	23.7
69.03398	1.4
69.07061	11.8
70.54465	2.8
71.04971	2.0
79.05489	27.3
81.03419	1.4
81.06576	1.4
81.07053	28.6
83.04974	5.4
83.08624	6.3
85.06538	1.5
87.27274	0.7
88.07545	0.9
91.05478	43.8
93.07039	29.1
95.04954	6.6
95.08047	1.3
95.08604	18.7
95.41170	0.7
97.06535	4.2
97.10168	2.2
98.21491	1.0
103.05476	2.1
105.07027	53.2
107.04966	6.8
107.08595	19.1
109.06516	7.5
109.10150	8.4
111.08103	1.7
115.05447	1.5
117.07012	12.8
119.08574	38.3
121.06520	5.8
121.10133	11.1
122.55535	0.7
123.08074	6.2
123.11685	2.2
125.09612	1.2
128.06218	1.1
129.07019	3.3
131.07584	1.1
131.08559	16.8
131.09515	1.3
133.06462	2.7
133.10121	42.0
134.10391	0.7
135.08047	13.2
135.11674	7.4
137.09618	5.1
141.06984	1.9
142.07768	1.1
143.08540	4.1
145.06494	1.3
145.10133	14.7
146.10844	0.8
147.08047	2.0
147.11678	18.0
149.09598	11.5
149.13287	2.6
151.11185	2.7
155.08546	2.1
157.10143	3.1
158.77946	0.7
159.08070	1.6
159.11688	10.3
161.09630	3.1
161.13278	6.3
163.11182	6.8
165.12724	1.2
169.10132	2.3
171.11682	2.9
173.09647	1.4
173.13277	5.8
175.11203	3.1
175.14777	1.9
177.12758	3.3
183.11649	2.1
185.13219	2.2
187.11179	2.0
187.14819	2.1
189.12811	1.2
189.16374	0.8
191.14336	2.0
197.13303	1.7
199.14766	1.5
201.12778	1.8
201.16315	1.4
203.14201	1.4
208.81284	0.7
211.14812	1.4
215.14337	1.9
215.17984	1.7
229.19481	5.4
233.15205	0.8
233.19055	0.9
239.17938	5.4
247.20589	6.5
257.18951	10.6
275.05035	1.0
275.20059	100.0
275.27689	4.1
276.06567	1.3
276.20276	2.4
282.28043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01859	1.7
55.05499	3.6
61.08930	0.9
67.05480	3.3
67.40289	0.7
69.03436	1.4
69.07067	12.2
69.44088	9.2
71.04985	2.5
79.05469	2.6
81.07042	6.1
83.04974	1.2
83.08633	1.6
85.06553	2.8
91.05470	5.7
93.07043	9.2
95.04928	2.6
95.08620	8.6
105.07013	8.0
107.08567	8.0
109.06501	2.8
109.10139	6.0
111.08095	17.1
113.09630	3.5
117.07009	1.5
119.08582	8.5
121.06504	2.9
121.10144	6.4
122.07272	4.2
123.08057	13.5
123.11649	1.6
129.07043	1.1
131.08594	8.1
133.10147	5.6
135.07106	1.5
135.08058	17.9
135.11664	2.2
137.09644	1.1
137.22792	0.8
139.11172	2.5
142.07663	1.1
143.08574	2.2
143.42545	1.0
145.10097	6.3
147.08000	1.1
147.11702	6.7
148.08853	1.0
149.09616	4.3
149.13290	1.6
156.09386	1.9
157.10149	2.9
159.11702	6.8
161.09624	2.7
161.13240	1.0
163.11142	3.6
165.12700	2.4
169.10165	1.6
171.11682	12.2
173.13280	4.8
175.14764	2.2
176.11989	5.8
181.12204	13.3
183.11682	1.3
187.11153	1.2
189.12668	1.8
191.14304	100.0
192.14745	1.1
197.13242	1.8
199.14792	4.2
205.12274	1.1
213.16373	1.4
215.17979	2.2
217.15883	5.8
219.13930	1.2
239.17984	2.5
257.19116	8.4
275.20056	35.8
275.27753	1.0
276.20694	1.0
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	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.00280	0.6
53.03932	2.6
55.01869	15.7
55.05508	19.9
57.03432	3.6
57.07073	1.2
59.04995	0.6
65.03938	1.6
67.05499	25.5
69.07063	15.1
69.89344	4.6
71.04980	2.5
74.61479	0.8
77.03927	1.2
79.05490	27.2
81.03415	2.9
81.07051	45.1
82.20783	0.7
83.05003	3.7
83.08617	5.3
85.06538	1.8
91.05475	59.3
93.07038	27.4
93.07515	0.4
95.01316	1.0
95.04982	5.9
95.08602	18.1
97.06523	18.9
97.10165	2.9
98.20835	1.3
103.05476	3.1
104.06278	0.7
105.07022	100.0
106.07315	0.9
107.04951	7.3
107.08584	13.0
109.06531	5.1
109.10157	7.6
111.08080	1.1
115.05446	1.7
116.06207	0.9
117.07009	13.7
119.08573	47.0
121.06511	3.3
121.10123	6.6
123.08052	3.0
123.11688	1.6
125.09643	2.1
129.06981	3.7
130.07713	0.8
131.08563	20.9
131.76276	0.7
132.09401	1.2
133.06490	1.1
133.10123	55.6
135.08034	3.6
135.11668	4.0
137.09612	3.0
139.07527	0.8
141.06973	1.2
142.07788	0.8
143.08574	2.9
144.22343	0.7
145.10120	18.6
145.11267	1.0
147.08090	1.0
147.11684	24.2
149.09599	6.2
149.13248	2.2
151.11166	2.6
155.08560	1.9
157.10147	3.3
159.11691	11.4
161.09625	1.7
161.13251	5.0
163.11203	3.3
165.09132	2.2
169.10124	1.7
171.11665	3.1
173.09473	0.7
173.13263	3.5
175.11200	1.0
175.14880	1.2
177.12796	2.0
179.14276	1.4
183.11719	2.5
185.13275	3.2
187.14806	1.1
191.14285	1.7
197.13264	1.9
199.14803	0.9
201.12735	1.2
201.16402	1.4
203.14340	1.2
205.12279	1.0
211.14821	1.2
215.17978	1.1
219.17418	8.8
229.15868	0.9
229.19582	2.1
239.18027	2.4
247.20506	3.4
257.18979	8.8
275.20044	95.3
275.27847	2.0
276.20367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	2.4
55.01867	6.2
55.05256	1.7
55.05508	24.5
56.87973	1.1
57.03436	2.0
59.05016	1.6
65.03933	1.5
67.05164	1.8
67.05502	27.5
69.03429	1.2
69.07055	8.8
69.89626	7.9
71.04979	2.1
77.57117	1.1
79.05491	39.6
81.06631	1.9
81.07060	22.2
83.04967	3.8
83.08624	5.9
85.06552	1.6
91.05476	32.5
93.07046	23.9
95.04949	3.3
95.08604	9.5
97.06511	4.2
97.10136	3.0
105.07027	42.2
106.75245	1.1
107.04947	20.3
107.08587	25.4
109.06500	3.3
109.10152	17.4
111.08019	2.9
113.72260	1.2
115.05475	1.2
117.07029	12.2
119.07777	2.0
119.08571	27.6
121.06461	1.7
121.10133	11.7
123.08073	1.7
123.11681	2.8
125.09611	5.2
129.06958	2.3
131.08565	14.5
133.09230	2.2
133.10138	28.9
135.08006	5.2
135.11678	3.1
137.09641	1.7
143.08601	2.7
145.10146	12.4
146.10222	1.2
147.11682	17.1
149.08414	2.2
149.09613	45.0
149.13252	1.5
153.09045	2.2
155.08531	1.7
157.10086	3.0
157.56612	1.2
159.11739	9.9
161.09592	1.3
161.13286	7.9
163.11261	1.8
167.10666	1.3
169.10071	2.5
169.12221	3.4
171.11664	4.9
173.11749	3.2
173.13245	3.9
175.11177	1.7
177.12744	1.4
183.11667	2.2
187.11214	1.8
187.14832	2.4
197.13263	2.7
201.12814	1.3
229.19508	8.7
233.15303	1.7
239.18022	2.8
247.17075	1.4
247.20552	4.3
252.45482	1.5
257.18997	16.8
261.56094	1.1
275.20056	100.0
276.20471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05506	4.2
57.07062	6.1
58.07406	2.0
58.86754	1.7
67.05504	5.4
69.07034	3.3
70.06574	8.3
70.88759	6.1
71.04978	7.7
71.06911	2.3
76.91727	1.7
79.05484	7.2
81.07047	7.0
83.04967	6.1
85.06541	4.4
88.07645	12.5
89.07922	2.9
91.05457	8.9
93.07027	9.2
95.04967	4.2
95.08621	14.7
105.07017	13.5
106.08668	4.6
107.08531	10.7
109.06515	6.5
109.10159	5.2
111.08041	9.0
117.07008	3.8
119.08577	17.7
121.10124	12.8
123.11673	2.2
129.07053	3.3
131.08566	14.2
133.10158	13.0
135.08080	13.1
137.09599	7.9
139.11278	2.0
142.07741	6.0
143.08533	8.9
144.09315	2.2
145.10101	14.6
147.11682	6.1
149.09525	1.9
157.10143	12.0
158.10889	6.3
159.11678	24.2
160.12296	2.2
168.09224	1.8
169.10115	3.3
171.11678	7.7
173.13275	32.0
174.13966	3.6
174.81020	1.9
175.11201	4.4
175.14853	2.8
177.12726	6.1
183.11690	7.2
187.11195	2.2
187.14857	3.6
191.14320	5.9
197.13281	4.3
199.14798	8.2
201.12741	7.1
213.16319	2.5
215.17984	3.3
239.18005	2.9
257.18964	17.2
257.26718	7.9
275.20096	24.9
275.27747	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	3.5
55.01865	8.7
55.05507	14.6
57.03419	1.2
59.04973	1.0
65.03921	1.9
65.92580	1.0
67.05164	1.3
67.05500	20.0
69.07061	12.7
70.00954	5.8
71.04982	2.5
76.65605	0.9
79.05487	22.5
81.07048	39.0
83.04968	3.9
83.08596	4.5
85.06532	1.1
91.05472	53.6
93.07034	19.4
95.01245	0.9
95.04946	5.4
95.08601	15.9
97.06531	10.5
97.10159	2.0
103.05448	2.8
105.07021	100.0
106.07320	1.4
107.04949	5.2
107.08586	9.9
108.51804	1.1
109.06488	2.3
109.10136	5.1
115.05391	1.4
117.07026	10.6
119.08569	44.7
121.06478	2.8
121.10138	5.5
123.08063	2.2
125.09595	1.7
131.08551	21.1
133.10118	55.2
135.08032	2.6
135.11665	3.6
143.08540	3.7
145.10112	15.8
146.10789	0.9
147.08073	1.0
147.11674	20.9
149.09596	3.4
149.13203	1.4
151.11076	1.5
155.08527	2.0
157.10133	3.9
159.11661	8.4
161.13202	2.8
163.11177	2.4
165.09161	1.3
169.10159	1.2
171.11742	2.0
172.94563	1.3
173.13199	2.0
175.11206	1.2
177.12843	1.7
183.11633	2.3
187.14783	2.0
193.65637	1.0
197.13272	2.7
215.14255	1.1
229.19389	1.8
233.15433	1.1
239.18021	2.4
247.20715	1.5
257.18927	5.3
275.20038	80.4
276.20352	2.4
296.84128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.1
55.01862	5.4
55.05504	15.8
55.78322	1.6
57.03432	4.5
67.05503	22.6
69.07065	11.9
69.99595	11.2
71.04966	5.7
76.54555	1.8
79.05493	24.8
81.07054	36.0
83.04964	5.1
83.08594	5.2
85.06539	3.1
91.05476	50.3
93.07036	25.3
95.04954	8.0
95.08590	19.9
97.06539	2.2
98.21512	1.8
103.05428	2.1
105.07025	61.3
107.04949	5.4
107.08599	19.7
107.18169	1.9
109.06529	10.6
109.10146	8.7
111.08076	4.7
115.05481	2.3
117.07040	11.3
119.08572	43.1
121.06518	3.4
121.10146	13.3
123.08040	5.7
123.11715	1.9
126.45020	1.6
129.06984	4.7
131.08554	22.7
133.10121	44.6
135.08034	10.7
135.11652	7.3
137.09612	4.0
139.70996	2.0
143.08522	4.5
145.10106	17.9
147.11671	22.9
149.09601	7.3
149.13377	2.1
151.11237	2.4
155.08543	2.2
157.10115	6.9
159.11694	20.1
161.09601	3.8
161.13231	5.9
163.11191	6.6
166.02699	1.8
169.10033	3.7
171.11659	5.8
173.13263	17.4
175.11198	3.1
175.14819	2.8
177.12685	2.6
183.11742	5.3
185.13258	3.5
187.11378	2.0
187.14764	3.8
189.12775	2.0
191.14412	2.0
197.13242	3.4
199.14839	4.3
201.16325	2.8
203.14410	3.0
213.16373	3.3
215.14243	2.2
219.13745	1.9
219.17375	2.3
229.19409	3.4
239.17931	7.9
247.20468	4.1
257.19031	10.9
275.20044	100.0
275.27786	6.6
276.20392	3.1
276.60092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.164
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
55.01860	4.2
55.05506	15.6
57.07058	3.6
67.05505	28.0
69.07072	17.2
69.80096	17.0
70.06594	4.0
71.04964	5.0
74.02439	2.9
76.98573	2.4
79.05480	27.4
81.07050	44.9
83.04974	5.1
83.08573	4.8
85.06528	4.6
88.07605	3.5
91.05467	67.1
93.07037	42.7
95.04958	10.7
95.08589	33.0
97.06532	6.7
103.05463	3.9
105.07027	97.7
107.04957	4.8
107.08595	37.7
109.06523	10.2
109.10152	11.1
115.05476	5.2
117.07019	26.0
119.08575	67.0
121.06499	11.7
121.10142	18.4
123.08079	6.6
128.06250	10.3
129.07024	17.2
130.07774	4.8
131.08568	60.6
133.06491	4.4
133.10115	40.9
135.08025	12.1
135.11681	6.5
137.05989	24.4
141.06976	13.2
142.07779	10.4
143.08565	27.1
145.06483	9.9
145.10112	60.0
147.08032	13.2
147.11662	24.3
149.09602	5.6
150.42426	3.1
153.07021	6.4
154.07729	3.6
155.08551	26.7
156.09338	12.2
157.10132	29.1
159.08061	12.9
159.11688	30.1
161.09628	5.3
161.13203	4.2
163.11232	6.2
165.12706	3.1
167.08560	11.1
169.10107	25.6
171.11671	23.9
172.37105	3.2
173.09621	12.3
173.13284	16.3
175.11174	5.9
177.12689	5.7
181.10127	4.7
182.10899	17.6
183.11694	8.0
185.13223	7.6
187.11160	4.0
187.14807	38.4
189.05272	3.0
189.12799	3.8
191.14331	3.0
195.11650	5.4
197.13284	38.9
199.11159	11.9
211.14784	5.0
215.14328	58.1
217.12274	6.0
219.17520	8.8
233.15335	14.6
239.14299	4.9
239.17876	4.7
257.15375	13.9
257.18994	9.8
266.80914	3.0
275.05179	5.2
275.16525	25.2
275.20084	100.0
275.27707	35.7
276.06757	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.3
53.71513	0.7
55.01864	2.8
55.05506	15.6
57.03435	1.2
57.07063	2.0
59.04980	1.1
65.03919	1.0
67.05158	1.4
67.05502	20.1
68.50277	0.7
69.03421	1.0
69.07068	9.9
70.06581	2.1
71.04987	2.5
71.08635	0.9
79.05045	1.4
79.05489	23.1
81.03421	1.2
81.07056	23.5
82.07376	0.7
83.04977	4.5
83.08615	5.5
84.33001	0.6
85.06544	1.2
88.07631	2.3
89.07980	0.8
91.05478	45.5
91.46529	0.7
93.07044	18.1
95.04981	5.1
95.08599	15.5
95.09155	1.4
97.06534	2.5
97.10165	2.9
103.05465	2.4
105.07026	67.7
106.08657	1.8
107.04935	3.8
107.08588	15.3
109.06524	4.3
109.10170	5.3
111.08032	0.8
115.05423	1.1
117.07007	10.5
118.07828	1.2
119.08578	37.3
121.00503	1.7
121.06490	4.1
121.10138	7.4
123.08082	2.2
123.11716	1.8
123.39218	0.7
125.09684	1.0
128.06181	0.7
129.07007	3.1
130.07759	0.8
131.08566	17.8
133.06505	1.9
133.10129	44.8
135.08058	3.1
135.11671	3.7
137.09634	2.4
141.06995	1.3
142.07790	0.8
143.08542	3.7
145.06563	1.1
145.10107	17.2
147.08006	1.9
147.11674	23.6
149.09616	6.6
149.13240	1.2
153.10324	0.8
155.08540	2.1
157.10132	4.0
159.08054	1.8
159.11693	9.4
161.09666	1.6
161.13222	5.5
163.11212	2.7
165.09174	0.9
169.10187	2.8
171.11716	3.1
173.09662	1.5
173.13206	4.9
175.11201	2.2
175.14854	1.1
177.00214	0.8
177.12743	1.0
177.50356	0.8
183.11743	2.6
185.13223	1.1
187.11176	1.2
187.14845	1.8
191.14304	1.5
197.13263	3.9
201.12785	1.6
203.08482	1.1
211.14822	1.3
213.16634	0.7
215.14334	4.9
215.18028	1.3
218.10902	1.0
219.11720	2.9
219.13713	1.6
229.19518	2.1
231.11639	0.8
233.13266	1.8
233.15382	1.3
239.17990	3.7
245.13101	1.0
246.14011	1.0
247.20638	1.8
252.04814	0.9
257.19009	9.9
257.26755	1.3
260.15689	2.1
275.20105	100.0
275.27747	20.4
276.20529	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1639
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
53.03934	4.5
55.01852	4.4
55.05504	13.4
57.03422	2.5
65.03945	2.7
67.05498	25.6
69.03385	1.8
69.07054	9.8
69.53329	18.2
70.06586	3.3
71.04971	5.4
79.05487	37.5
81.07050	60.2
83.04974	3.2
83.08604	4.8
88.07597	3.4
91.05476	51.2
93.07037	39.1
95.04961	13.3
95.08601	31.0
97.06516	8.0
97.10133	2.1
103.05485	3.8
105.07028	77.7
107.04941	7.4
107.08588	37.4
109.06496	11.2
109.10126	4.2
111.08071	4.5
115.05441	5.9
116.06199	1.9
117.07021	24.7
119.04953	2.4
119.08572	40.2
121.06496	8.3
121.10154	9.3
123.08044	6.4
123.11713	2.3
128.06219	5.7
129.07004	18.9
130.07768	5.8
131.08554	46.1
133.06468	6.8
133.10115	30.3
135.08043	17.5
135.11676	7.8
137.09660	3.0
141.06990	12.1
142.07774	14.9
143.08556	21.2
144.09286	1.9
145.06480	6.1
145.10114	57.8
146.10915	2.3
147.08043	7.2
147.11665	15.2
149.09619	6.7
153.07011	4.4
154.07750	3.4
155.08539	37.1
156.09286	4.5
157.10129	78.8
159.08092	9.7
159.11670	32.6
161.09625	4.5
161.13239	5.9
163.11157	4.3
167.08522	9.6
168.09311	2.9
169.10123	23.0
171.11649	10.8
173.09599	15.1
173.13239	9.7
175.11183	4.2
181.10103	2.4
182.10828	11.6
185.13243	6.2
187.11212	9.8
187.14796	29.8
191.14252	6.4
197.13257	39.0
215.14310	100.0
216.14745	3.2
219.11731	2.8
233.15410	11.0
239.17963	3.6
245.13089	2.4
247.20505	3.5
257.15298	3.0
257.19003	7.8
260.15662	2.2
275.16461	44.2
275.20071	71.0
275.27725	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	275.164
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
53.03934	0.9
55.05508	2.8
57.03419	0.9
57.07062	0.6
67.05502	3.8
69.03430	0.5
69.07043	2.1
71.04999	0.6
71.38638	1.0
71.38966	0.6
75.88369	0.5
75.98644	0.7
79.05481	9.8
81.03394	0.6
81.07050	29.8
84.47568	0.5
85.06557	0.8
91.05472	12.1
93.07036	7.8
95.04971	3.0
95.08598	7.2
97.06484	1.3
101.78263	0.5
103.05436	0.7
105.07021	19.0
107.04939	1.0
107.08595	8.2
109.06528	3.5
109.10151	1.2
109.55162	0.5
115.05450	2.5
116.06195	1.2
117.07007	9.4
119.08577	10.6
121.06483	1.8
121.10123	1.8
123.08030	0.9
128.06192	2.6
129.07001	6.8
130.07793	2.8
131.08554	20.1
133.06471	1.3
133.10120	3.2
135.08041	7.5
135.11710	0.6
141.07010	3.9
142.07764	7.3
143.08556	8.2
144.09285	2.4
145.06480	3.6
145.10112	28.6
147.08026	1.6
147.11653	1.6
153.06984	1.7
153.37521	0.6
154.07767	2.2
155.08549	17.7
156.09354	4.0
157.10123	18.3
158.07295	1.1
158.10942	0.9
159.08051	12.0
159.11682	17.3
160.08810	1.3
161.09618	1.9
167.08566	5.8
168.09308	2.3
169.10083	9.0
171.08084	0.8
171.11670	5.6
173.09607	10.4
173.13179	3.0
175.11188	1.7
179.03368	0.8
181.10139	1.2
182.10899	10.4
185.09654	0.5
185.13213	2.2
186.10385	1.3
187.11137	2.4
187.14804	24.8
189.01808	1.1
197.13249	18.2
215.14299	100.0
216.14636	2.1
231.06441	0.8
233.15311	3.9
239.90193	0.6
257.15396	0.8
266.44763	0.6
275.08997	1.0
275.16418	10.9
276.06583	3.9
287.66852	0.6
293.72897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.164
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
53.03936	1.5
55.05507	4.2
67.05496	8.5
69.03419	1.3
69.07069	3.7
70.39358	4.0
71.04990	1.3
79.05489	11.4
81.07043	22.3
83.04967	1.8
91.05471	15.7
93.07040	12.3
93.60921	1.0
95.04964	5.6
95.08601	15.5
97.06544	2.8
105.07028	27.2
105.78613	1.1
107.04950	1.8
107.08595	15.1
109.06504	5.1
109.10148	3.4
115.05508	1.2
117.07036	7.4
119.08572	18.3
121.06519	5.0
121.10148	5.2
123.08093	2.9
128.06204	2.3
129.07016	6.8
130.07777	2.6
131.08562	19.1
133.06526	1.5
133.10135	11.5
135.08070	3.3
135.11742	1.6
141.07002	3.6
142.07770	6.8
143.08543	9.8
144.09323	2.3
145.06502	4.0
145.10112	30.9
147.08046	3.6
147.11734	3.5
149.09636	2.3
153.07005	2.1
155.08549	15.8
156.09358	5.7
157.10126	17.6
157.53928	1.3
158.10909	2.3
159.08044	16.2
159.11688	18.4
160.08842	1.6
161.09663	2.6
167.08540	10.1
169.10149	9.4
171.11713	8.5
172.12453	2.1
173.09596	10.2
173.13234	7.0
174.10410	1.4
175.11186	1.7
181.10077	1.5
182.10892	16.2
185.09636	1.2
185.13202	2.5
186.10381	1.6
187.11179	3.6
187.14810	27.6
187.16402	1.8
189.12706	9.6
197.13254	31.2
198.13417	1.5
200.12033	1.2
215.14299	100.0
216.14650	1.6
233.15338	16.3
257.15387	1.9
257.19034	2.2
275.05862	1.2
275.16434	19.4
275.20059	13.5
275.27716	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1638
Annotation	Haterumadysin A
Peak:m/z	Relative Intensity
55.01864	3.5
55.05500	9.5
57.07063	3.7
67.05501	17.6
69.07071	20.0
69.94057	11.6
69.94466	5.7
79.05488	21.9
80.46670	2.5
81.07060	31.0
83.04961	5.3
83.08610	4.8
91.05470	44.4
93.07032	46.6
95.04952	7.4
95.08604	29.6
95.09715	2.5
105.07022	75.6
107.04909	3.7
107.08575	27.1
108.45116	2.7
109.06539	7.2
109.10148	10.7
117.07011	26.9
119.07767	5.0
119.08565	47.8
121.10133	20.4
123.08073	4.1
128.06245	7.6
129.06982	16.8
130.07745	4.0
131.08554	63.4
133.06500	3.9
133.10143	26.2
135.08046	5.2
137.05968	3.2
139.07541	6.4
141.06972	8.3
142.07744	10.2
143.08542	37.6
145.10117	100.0
147.08049	4.6
147.11650	16.4
155.08580	21.0
157.10130	29.0
158.10960	2.6
159.08099	4.5
159.11703	32.8
161.09628	3.6
161.13248	4.9
169.10106	29.5
170.10858	4.0
171.11644	25.2
171.36725	3.1
173.09613	11.5
173.13263	12.9
175.11133	5.9
175.14825	5.5
177.09142	5.3
179.11078	2.9
182.10951	3.6
183.11668	14.2
185.13229	24.6
187.11163	6.6
187.14767	12.8
189.12685	3.7
190.82596	2.7
191.10602	6.2
196.12485	7.0
201.09138	4.8
201.12715	3.2
201.16370	75.9
205.12329	3.3
211.14812	52.8
213.16380	31.8
229.15886	79.1
231.17516	6.7
239.14272	8.2
247.16937	19.2
251.43504	2.9
257.15320	27.2
275.16428	39.9
275.20032	9.4
275.27844	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1639
Annotation	Carbestrol
Peak:m/z	Relative Intensity
50.35958	2.5
50.75417	2.4
51.15319	2.4
53.03933	3.7
55.05498	7.4
56.78983	2.4
57.78193	2.9
67.05496	17.2
69.07047	12.1
70.66727	5.3
79.05476	12.9
79.37453	2.7
81.07055	35.7
81.73115	2.8
83.04959	17.7
83.08585	6.8
85.06535	5.9
91.05472	41.7
93.07036	31.9
95.04947	4.6
95.08604	54.7
105.07026	81.8
107.08590	26.9
109.06498	3.8
109.10143	4.5
115.05385	3.0
116.06216	2.9
117.07005	18.7
119.08564	35.0
121.06495	5.7
121.10125	35.3
123.08036	4.0
128.06230	5.7
129.06995	19.9
131.04897	3.6
131.08571	47.7
133.06433	6.4
133.10124	21.6
135.04407	4.2
141.07022	4.5
142.07724	10.9
143.08540	39.9
145.06459	4.5
145.10112	100.0
146.10439	2.7
147.08044	21.6
147.10632	3.4
147.11681	31.3
149.05963	5.4
153.07021	4.1
154.07704	3.0
155.08510	21.0
156.09331	6.6
157.10123	40.8
159.08090	4.3
159.11696	37.9
161.09555	9.2
161.13245	21.2
169.10101	25.3
170.10909	3.9
171.11682	52.6
173.09578	10.8
173.13234	9.6
175.11137	11.6
175.14806	3.8
181.08569	6.6
181.10068	3.4
183.11639	8.9
185.13234	13.0
187.11102	5.8
187.14780	13.8
189.09106	4.6
189.12723	19.5
191.10614	13.4
196.12428	5.7
201.09084	3.4
201.16380	61.6
203.14308	24.4
203.17957	22.5
205.12173	7.3
211.14798	48.8
213.16385	64.7
229.13736	5.7
229.15866	83.9
231.17435	15.8
239.14238	6.7
247.16925	38.4
257.15332	40.1
275.16354	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97041	0.7
56.96552	1.8
59.60056	0.7
65.03928	2.4
67.05487	2.7
69.03416	1.6
70.09117	3.1
82.99876	1.7
83.04971	1.5
93.03384	1.9
95.04961	3.2
97.02908	1.6
98.20833	1.1
98.97567	1.9
101.00874	22.9
101.14719	0.9
103.02447	2.0
105.00370	1.0
109.01371	1.7
111.04415	2.3
115.02454	1.4
116.98589	1.0
117.04002	1.2
119.01914	74.7
120.02029	2.1
121.02855	5.3
126.28851	0.8
127.02434	10.6
129.04004	1.8
131.01936	1.9
133.03430	2.4
137.02950	20.6
139.02376	1.5
139.03870	0.9
141.03981	1.3
142.03499	1.8
143.01862	5.3
143.05495	1.6
145.03456	58.4
146.03571	1.9
147.01346	1.1
147.04991	1.8
151.02371	1.7
153.04030	2.0
157.03511	11.5
159.05054	3.9
161.02953	11.2
163.04497	5.3
169.03458	52.5
170.03551	2.0
171.01341	0.9
171.05002	9.4
173.02974	1.2
175.04506	4.2
179.01924	1.5
185.02931	19.5
185.06526	1.3
187.04515	71.8
188.04639	2.4
189.02438	2.5
189.06125	2.7
193.03603	1.2
195.05055	2.8
197.02966	11.1
203.04047	9.5
203.07605	0.9
205.05576	12.2
210.06111	3.2
211.04544	4.5
213.02417	2.1
213.06107	3.1
215.03990	16.4
221.03018	2.8
229.05562	43.7
231.03506	3.6
239.04022	2.4
247.06636	29.7
248.06860	1.8
249.04565	2.6
253.71915	0.9
255.26678	0.8
257.05060	4.9
270.08270	1.4
275.06107	100.0
276.06335	3.8
290.14819	0.8
293.07166	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	275.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	1.4
55.05499	1.4
56.96555	5.2
57.03420	0.8
58.92883	0.6
60.04504	0.6
61.02908	2.6
67.05489	0.9
68.05032	1.1
68.22470	0.6
69.03411	5.6
69.04540	6.9
69.07043	1.1
70.06582	2.1
70.36319	2.8
71.04980	1.1
72.08149	0.8
73.02914	1.1
79.05482	1.2
81.03403	2.5
81.04524	1.1
81.07045	0.7
83.04959	2.3
84.04459	1.0
84.08125	2.5
85.02416	0.8
85.02897	11.5
85.03360	0.5
86.06039	0.6
86.09708	1.0
87.04453	0.9
91.05477	1.2
93.07027	0.9
95.04986	0.7
95.06076	10.5
97.02882	4.8
97.06514	1.7
98.97573	4.0
99.04441	1.9
101.00874	0.8
105.07034	0.8
109.02890	1.4
109.06504	0.6
111.04427	0.9
111.05570	3.6
113.07116	100.0
114.05518	1.5
114.07422	0.8
116.98593	2.3
119.01909	3.4
121.01596	0.7
123.04533	0.6
123.05563	2.4
127.03883	1.7
128.98552	0.7
129.10179	0.7
131.08543	0.6
134.99638	1.7
137.02998	1.5
140.07109	0.8
141.06516	3.8
145.04944	1.2
146.99643	1.2
158.99673	0.8
161.01158	1.0
161.02913	0.7
169.06471	0.8
174.05443	0.8
177.00690	1.1
177.05525	0.8
180.48892	0.6
181.83517	0.6
183.05914	0.8
187.04552	1.4
187.07556	0.9
219.01782	0.6
237.02878	1.0
257.14944	4.1
275.06238	1.0
275.11145	8.3
275.13654	0.9
275.16260	1.3
275.19995	1.0
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	Trixagoene
Peak:m/z	Relative Intensity
53.03929	2.6
55.05257	1.6
55.05508	21.9
57.07074	10.8
67.05174	1.7
67.05502	31.4
67.14264	1.3
69.07063	48.0
69.75389	4.0
69.75813	6.4
71.08624	2.6
73.83866	1.6
74.50938	1.3
79.05477	19.0
81.07052	85.5
83.08617	20.2
91.05470	12.2
93.06455	2.5
93.07037	49.3
95.04964	2.6
95.08598	84.8
97.10172	11.5
101.10568	1.5
104.20296	1.5
105.06376	2.2
105.07021	32.2
107.08586	63.8
109.10146	63.2
109.10915	2.7
111.11678	5.3
119.08575	31.1
121.10133	54.6
123.08034	1.7
123.11695	46.0
131.08566	4.4
131.51315	1.4
133.09200	2.5
133.10120	24.6
135.11681	37.3
137.13252	14.6
145.10121	2.6
147.11694	19.7
149.13249	52.1
151.14847	7.3
159.11620	3.8
160.12492	1.9
161.13240	30.6
163.14806	28.6
165.16425	2.5
175.14804	15.3
177.16370	19.2
187.14828	1.5
189.16350	22.3
191.17902	10.8
202.03494	1.3
203.17928	23.7
206.36559	1.4
217.19493	27.2
219.89093	1.3
231.20938	4.2
253.66864	1.5
273.25757	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16713	0.9
56.96567	15.1
58.45205	0.8
58.86971	0.8
59.35351	0.9
61.30079	0.8
67.28976	0.8
70.69877	0.9
70.81283	2.2
70.81608	1.6
70.95856	1.0
71.95248	2.8
84.52913	0.9
89.64883	0.8
98.97576	100.0
101.00889	1.3
104.69463	1.0
108.64317	0.9
116.98614	81.0
119.01898	6.1
134.99648	43.3
137.02943	1.5
140.00186	2.2
145.03519	2.1
153.00647	4.9
155.01360	1.3
158.01230	2.3
161.02957	1.3
161.34650	0.8
169.03369	2.4
172.94339	3.2
174.97716	1.0
177.00923	3.4
178.01082	1.2
179.00771	1.0
187.04515	2.1
190.95366	7.0
192.98752	1.4
197.03029	0.9
203.02440	1.5
208.96278	3.6
214.95213	1.1
215.03947	1.1
216.98698	3.1
219.01938	3.3
220.02065	1.8
221.01863	2.0
229.05539	1.1
232.96417	7.8
234.93465	1.3
234.99751	8.5
250.97415	4.7
252.94603	1.1
256.96381	13.1
274.97455	91.9
275.05884	3.4
292.98441	62.1
297.99133	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.7
56.96566	28.8
66.52317	1.0
70.06571	2.6
70.57499	4.7
70.98115	4.8
71.04967	1.6
71.95257	1.9
72.08157	3.4
74.24167	1.1
81.03395	1.3
84.08136	3.0
84.96037	1.5
85.02883	2.4
88.99162	1.5
95.06091	1.5
97.02874	1.9
98.97583	100.0
101.00819	2.0
108.04476	1.4
110.97557	3.2
113.03479	1.4
113.07129	2.7
115.00561	1.2
116.98618	68.4
119.01920	5.4
119.38747	1.2
125.07134	3.8
127.13177	2.2
128.98599	5.5
130.93314	1.2
131.00192	3.0
131.01912	2.6
131.86224	1.3
133.03528	1.6
134.99657	22.4
137.02902	1.5
140.00188	2.0
142.96507	1.8
145.03474	1.8
146.99641	5.1
149.01205	1.7
153.00705	2.2
172.94344	3.6
172.97617	5.6
177.00708	1.6
185.06635	1.7
188.97096	2.9
190.95415	4.9
190.98589	7.9
193.00189	2.4
208.96399	2.8
208.99753	3.5
218.98138	1.7
219.01735	2.1
221.05013	2.4
232.08868	1.4
232.96480	8.0
232.99548	3.0
237.02766	5.2
242.43411	1.3
247.06497	1.4
250.97539	3.5
251.00710	3.4
256.96396	10.6
274.97510	67.9
275.05997	1.8
292.98563	47.4
293.03394	2.3
297.99219	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03947	0.8
54.33538	0.5
55.01858	0.7
55.05512	2.3
56.96549	0.6
57.03435	0.4
57.07073	1.4
59.05009	0.8
64.98383	0.4
65.03929	0.5
67.01859	2.2
67.05513	3.0
68.99792	1.4
69.03418	2.2
69.07072	3.5
70.66537	0.4
71.04975	0.6
71.63720	1.0
79.05510	3.1
81.07052	4.0
83.04976	0.5
83.08609	1.3
85.02914	0.7
85.06545	0.9
91.05479	10.9
93.07051	4.3
95.04961	3.7
95.08607	4.3
97.02898	1.4
97.06538	2.0
103.05492	0.5
105.07024	9.1
107.04962	2.3
107.08585	6.2
109.06525	5.5
109.10162	3.3
111.00816	0.7
111.08105	0.9
115.05453	1.3
116.70928	0.4
117.07027	3.1
119.04952	16.0
119.08577	7.6
121.06504	1.4
121.10137	4.4
123.04424	3.5
123.08051	1.0
123.11697	0.9
128.06221	1.6
129.06998	3.5
130.07765	1.0
131.08562	4.9
133.06491	4.7
133.10118	3.7
135.08067	2.4
135.11687	1.0
137.02335	0.5
137.09593	0.6
141.07018	2.1
142.07762	2.9
143.08566	6.4
144.09337	1.6
145.06502	1.3
145.10149	5.1
147.04408	40.8
147.08067	1.3
147.11676	3.6
148.04761	0.7
149.09624	2.1
149.13272	0.8
151.03944	0.5
153.01826	100.0
153.06990	1.9
154.02194	2.8
154.07825	0.7
155.08542	4.6
156.09338	4.4
157.06522	0.5
157.10129	7.4
158.07314	0.6
158.10910	0.6
159.08078	2.2
159.11687	3.1
161.09613	1.9
161.13257	1.5
163.14804	1.0
165.07037	1.3
166.07825	1.0
167.08614	2.4
168.09402	0.9
169.06551	0.5
169.10143	6.9
170.10916	1.8
171.02924	3.8
171.04274	0.7
171.08064	1.4
171.11674	8.0
172.12428	0.9
173.09647	5.6
173.13268	2.2
174.10347	0.5
175.11171	2.3
177.16391	0.9
179.03387	0.8
179.08601	0.9
181.06512	1.1
181.10120	2.4
182.10910	3.8
183.11714	2.8
184.12456	0.7
185.09584	1.8
185.13312	2.7
186.13940	0.6
187.11201	0.9
187.14806	1.1
189.05476	1.0
189.12729	4.6
193.10159	1.5
195.11687	3.1
196.12518	2.1
197.09676	0.7
197.13258	11.8
198.14038	1.4
199.09427	0.7
199.11191	4.9
201.09090	0.5
202.07364	0.7
203.17947	0.9
207.11711	0.7
208.12402	0.7
209.13387	1.1
211.11325	0.7
211.14818	5.0
212.15584	2.9
213.09171	0.8
213.12796	1.7
213.16370	8.1
215.10577	0.5
215.14233	3.4
217.12233	0.9
217.19482	0.5
222.14076	1.4
225.12724	1.8
226.13515	0.7
227.03403	1.1
227.14359	2.8
229.08641	0.9
229.15787	2.7
230.16562	1.1
231.10043	0.5
231.17328	1.1
237.16374	2.3
240.15146	1.4
241.07849	0.5
255.17432	15.5
273.04050	6.6
273.07547	63.7
273.18497	25.5
273.25665	4.0
274.07776	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
53.03935	1.7
55.05504	4.5
57.03430	1.3
57.07083	1.8
59.05005	1.6
59.46695	1.3
67.05497	7.4
69.03401	2.0
69.07059	4.8
71.04979	5.6
71.64343	1.7
71.64745	1.5
79.05478	6.6
81.07050	7.9
81.56980	1.2
83.04974	4.4
83.08622	2.6
85.06527	4.0
91.05479	6.8
93.07046	10.2
95.04966	21.4
95.08607	7.2
97.06534	2.4
103.13294	1.1
105.07026	18.3
107.08597	12.9
109.06510	29.4
109.10155	11.3
111.08064	5.0
115.05461	1.7
117.07006	6.7
119.07687	1.4
119.08575	25.7
121.10131	6.6
123.08076	29.0
123.11713	3.1
128.06221	4.7
129.06985	5.4
130.07784	3.3
131.08560	17.6
133.10127	13.9
135.08034	7.7
135.11720	1.9
137.09608	8.0
141.06987	3.6
142.07779	7.4
143.08540	12.4
144.09312	2.2
145.06517	1.5
145.10112	43.5
147.08066	7.3
147.11685	15.6
149.09593	4.1
151.07529	2.6
151.11176	5.4
153.07037	1.4
155.08551	5.1
156.09343	9.1
157.10121	27.2
158.10918	6.9
159.08006	5.3
159.11700	13.1
160.08775	2.3
161.09627	6.2
161.13251	3.6
163.11153	3.7
165.06984	1.9
167.08557	3.5
169.10161	5.4
170.10901	4.0
171.08066	1.9
171.11687	25.5
172.12555	2.0
173.09634	12.9
173.13261	27.1
174.10408	3.0
175.11177	14.7
177.12677	1.9
179.10788	1.4
180.09438	1.3
181.10074	4.4
182.10927	4.9
183.11697	5.8
185.09596	2.8
185.13245	9.9
186.10330	1.9
187.11177	17.6
187.14780	6.6
188.11966	1.6
189.12733	20.7
189.16293	2.1
191.14293	1.7
193.10129	1.8
195.11670	5.0
196.12537	2.2
197.13254	15.1
198.13823	1.4
199.11179	13.2
200.11948	2.3
201.12747	2.4
203.14333	5.1
207.11673	2.9
209.13298	1.5
211.14790	4.7
212.15604	2.5
213.12746	5.6
213.16341	14.8
214.13548	3.6
215.14308	40.5
217.12219	11.3
218.94582	1.3
222.14037	2.5
225.12711	4.3
227.17928	1.6
229.15858	3.4
230.16576	1.9
231.17413	14.4
237.16429	4.1
240.15149	2.2
243.13721	1.7
255.17398	31.8
273.03867	1.5
273.18481	100.0
274.18671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
55.05492	0.8
61.89143	0.5
63.87262	0.4
65.03932	0.9
67.01853	2.5
67.05492	1.4
68.99782	1.9
69.03419	1.4
69.07064	1.2
69.89513	1.0
69.89921	2.2
76.91443	0.4
79.05484	1.4
81.07062	1.2
85.02921	0.5
91.05474	6.6
93.07050	1.4
95.04987	2.2
95.08585	1.3
97.02873	1.0
97.06516	1.4
98.21576	0.5
105.07012	3.4
107.04981	2.1
107.08585	1.5
109.06507	1.7
109.10168	0.9
111.00764	0.5
117.06942	0.7
119.04079	0.9
119.04932	17.3
119.08586	2.6
121.10116	1.2
123.04443	3.7
128.06165	0.6
129.07002	1.1
130.07797	0.5
131.08554	1.1
133.06476	1.1
133.10156	1.1
135.08049	1.1
141.07004	0.6
142.07796	0.5
143.08556	1.8
145.10095	1.5
147.04399	45.3
147.11662	1.3
148.04724	0.8
151.03946	0.5
153.01817	100.0
154.02116	1.0
155.08536	1.4
156.09366	1.5
157.10138	2.4
159.08055	0.5
159.11667	0.8
161.09590	0.7
167.08589	0.7
169.10123	1.9
170.10834	0.7
171.02879	3.6
171.11700	2.3
172.12527	0.5
173.09619	1.7
175.11140	0.5
179.03403	1.1
181.06572	0.4
181.10164	0.5
182.10846	0.8
183.11684	0.8
185.09567	0.6
185.13239	1.0
187.11147	0.6
189.05470	0.7
189.12752	1.2
193.10025	0.4
195.11722	0.6
197.13248	3.7
198.14125	0.6
199.11154	1.8
208.76772	0.4
211.14836	1.5
212.15634	1.0
213.12921	0.6
213.16458	2.1
215.14308	1.1
225.12712	0.7
227.14281	1.3
231.06235	0.4
237.16565	0.6
255.06619	0.5
255.17346	3.6
273.07553	71.7
273.18460	7.2
273.25714	1.2
274.07748	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	273.1485
Annotation	Linderene acetate
Peak:m/z	Relative Intensity
55.05509	10.0
55.14284	0.8
60.31205	0.8
67.05498	1.7
69.03410	2.1
69.07052	2.1
69.89744	1.5
69.90162	4.3
79.05500	2.7
81.07062	2.4
90.55566	0.8
91.05476	4.6
93.07052	3.7
95.04973	2.4
95.08599	1.9
103.05447	1.1
105.07044	10.6
107.08595	2.4
109.06482	1.1
115.05454	4.1
117.07030	2.9
119.08586	4.9
121.06499	1.4
128.06223	16.6
129.07016	16.5
130.07771	3.2
131.08557	7.9
133.06450	1.9
133.10031	1.5
135.08104	1.3
141.06953	5.5
142.07770	10.8
143.08559	39.8
143.09692	2.1
144.09305	2.7
145.06491	2.9
145.10149	4.2
151.34634	0.8
153.06982	3.9
154.07756	1.6
155.08560	16.8
156.09349	6.8
157.06555	4.6
157.10127	18.3
158.07280	14.1
159.08064	2.9
159.11676	6.0
161.09650	1.3
165.07007	15.3
166.07637	1.6
167.08580	3.4
168.09328	1.8
169.06412	1.0
169.10089	4.5
170.10883	7.0
171.08038	15.3
171.11703	3.4
172.08708	1.6
173.09697	1.7
179.03308	1.0
179.08539	2.8
180.09334	14.6
183.08060	6.1
183.11685	3.3
184.08833	1.6
185.09583	2.1
185.13268	20.6
186.31279	0.9
187.11108	1.2
195.11702	16.7
197.09653	4.4
198.10390	10.4
211.11139	1.0
213.12737	100.0
214.13161	2.3
215.10605	0.9
230.21167	1.0
231.13879	3.0
248.89235	1.1
255.13875	0.9
255.17575	1.3
273.14853	27.8
273.18250	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	273.1482
Annotation	Linderene acetate
Peak:m/z	Relative Intensity
51.80213	0.7
53.03925	1.2
54.59303	0.7
55.05510	11.0
56.96521	0.6
57.03420	0.6
67.05487	1.3
68.79121	0.6
69.03397	2.4
69.07052	1.4
71.46130	1.5
79.05494	3.4
81.07046	1.4
89.83498	0.7
91.05462	5.2
93.07040	4.6
95.04935	1.8
95.08596	1.9
101.24242	0.6
103.05450	1.3
105.07018	11.3
107.04918	0.8
107.08575	1.9
109.06519	1.2
115.05434	4.2
117.07029	3.4
119.04905	1.0
119.08551	3.0
121.06480	1.4
128.06207	19.2
129.06998	17.6
129.81398	0.7
130.07788	4.9
131.08566	6.3
133.06494	0.8
133.10092	0.9
135.08014	0.8
137.05995	0.6
141.06975	6.0
142.07784	11.1
143.08548	39.8
144.09312	2.2
145.06476	4.1
145.10048	2.9
152.06160	0.8
153.01782	1.4
153.06926	3.8
154.07735	2.4
155.05975	0.8
155.08545	20.7
156.09370	6.5
157.06447	3.7
157.10115	17.6
158.07251	20.1
159.08061	3.3
159.11685	6.5
161.05832	0.7
161.09668	0.9
165.06984	18.0
166.07553	1.0
167.08562	2.9
167.56845	0.6
168.09338	2.9
169.06468	0.9
169.10107	4.5
170.10912	7.2
171.08034	17.6
171.11684	4.0
172.08791	1.5
173.09564	1.2
179.08524	4.6
180.09328	14.2
181.10016	0.7
183.08084	5.6
183.11674	2.2
184.08791	1.5
185.09619	2.9
185.13251	20.8
187.11189	1.0
195.11678	16.9
197.09592	4.3
198.10367	10.4
213.12723	100.0
214.12962	3.2
215.10658	1.8
227.14340	0.7
231.13770	2.7
255.13721	0.8
273.07825	1.2
273.14825	27.9
273.25745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03942	1.5
55.05505	8.0
57.07066	3.1
59.14051	0.8
65.03928	0.9
66.86886	0.9
67.05501	14.5
69.07071	8.0
71.64893	1.5
72.69579	0.8
79.05496	10.0
81.06566	1.6
81.07053	33.8
83.08607	6.7
91.05468	11.6
93.07043	22.4
95.04945	1.2
95.08602	33.1
97.10148	3.7
105.07024	23.9
105.07585	0.5
105.07738	0.8
107.08595	22.2
107.38377	0.8
109.09452	1.3
109.10157	21.8
111.11685	1.0
112.08561	0.7
115.05418	0.9
117.06980	4.3
119.04914	1.7
119.08584	18.1
121.09315	1.0
121.10145	15.7
123.11705	10.7
129.07037	2.0
130.07742	1.1
131.08546	14.3
133.10124	18.2
135.11687	11.5
137.13264	3.0
143.08530	1.3
144.09338	1.5
145.10110	17.1
147.11679	13.7
149.13245	11.3
153.06961	2.3
155.08493	1.4
157.10124	1.4
158.10809	1.2
159.11688	22.2
160.12093	0.8
161.09547	1.0
161.13249	16.6
163.14798	9.3
165.06976	7.9
166.07433	1.2
168.05704	1.1
173.13274	15.3
175.14819	15.4
177.16350	3.7
181.06491	3.1
182.07208	1.4
183.07991	4.7
185.05968	1.8
187.14838	14.5
189.16382	10.6
192.58301	0.8
193.06439	1.8
196.05190	1.9
197.05872	0.8
201.16382	12.8
203.17905	1.1
205.76469	0.8
211.07570	6.9
212.08275	1.1
215.10707	0.7
215.17949	14.4
221.06039	0.8
225.05382	0.9
227.06917	0.8
229.19516	3.0
239.07036	2.9
240.07820	1.2
243.21091	1.5
256.07318	2.0
271.06107	3.5
271.09641	14.3
271.12738	1.4
271.24200	100.0
272.10278	1.1
272.24570	3.4
294.88208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
55.05509	3.5
57.07061	2.0
58.06612	1.6
69.07061	3.1
70.06580	5.3
70.77797	3.4
70.78193	2.8
81.07054	1.6
88.07623	6.0
91.05480	4.2
93.07029	1.4
95.04939	2.0
102.09207	1.4
105.07008	2.2
106.08643	3.5
107.04970	4.4
107.08577	1.6
115.05447	2.9
117.07005	1.9
119.08588	4.4
128.06207	6.2
129.06992	6.4
131.08563	2.8
141.06966	6.6
142.07755	2.8
143.08571	11.5
145.06503	3.4
145.10054	2.1
148.79167	1.8
152.06264	1.9
152.74272	1.8
153.01743	1.3
153.07037	8.2
154.07817	1.6
155.08557	16.6
156.09364	2.8
157.06528	6.9
157.10118	5.4
158.07281	2.3
159.07988	3.6
165.06950	12.7
166.07771	11.9
167.07025	6.4
167.08591	6.8
168.09235	2.7
169.06511	11.9
169.09996	2.9
170.07249	5.1
170.10938	4.0
171.08046	39.6
171.11623	2.0
172.08762	2.8
173.09445	1.7
179.08510	3.3
180.09271	2.1
181.06482	3.9
181.08597	2.6
181.10069	16.4
182.07275	1.7
183.08055	27.1
183.11679	6.9
184.08791	9.4
185.09625	6.6
185.13228	4.4
185.23454	1.4
194.07182	2.6
195.08089	3.3
195.11502	2.0
197.05997	8.1
197.09612	5.9
198.06647	2.3
198.10390	14.1
199.07536	6.1
201.09085	2.6
203.07005	5.6
205.08699	1.5
208.08752	1.7
209.09641	12.6
211.07494	11.5
212.08324	4.6
212.11839	2.9
213.09158	4.3
213.12741	32.7
214.06212	2.2
215.06989	2.9
217.08598	2.1
217.99760	1.7
218.09352	2.1
223.11264	2.8
225.09079	5.0
226.09918	5.9
227.10645	4.0
229.08562	16.0
231.10181	7.5
241.12228	50.3
243.10143	5.8
244.10973	10.4
245.11688	3.2
256.26355	3.9
258.12482	6.9
273.14844	100.0
273.18179	5.2
273.26224	9.1
274.15268	3.6
274.27390	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Celorbicol
Peak:m/z	Relative Intensity
53.03935	1.1
55.01865	2.1
55.05507	9.8
57.03423	1.5
57.07051	0.6
57.26310	0.6
59.83444	0.6
61.02914	1.4
65.03920	1.3
65.67663	0.6
67.05163	0.9
67.05502	12.9
69.03429	1.0
69.07064	8.1
69.63657	5.7
71.04980	1.7
73.02889	0.6
79.05050	0.9
79.05482	11.0
81.03404	1.8
81.07053	26.8
83.04981	5.0
83.08614	3.6
85.06512	0.7
91.03956	1.1
91.05479	9.1
93.03437	0.7
93.07046	13.2
95.04983	4.8
95.08604	22.9
97.06529	15.3
97.10167	11.8
105.07023	17.5
107.04939	2.4
107.08591	17.0
109.06514	3.5
109.10152	17.1
111.04436	7.1
111.08063	3.5
111.11686	2.0
117.06986	3.1
119.08573	15.3
121.06515	4.3
121.10159	5.9
123.08085	2.2
123.11703	4.1
125.06013	1.7
125.09598	1.0
127.07526	1.4
128.06198	1.4
129.06984	2.6
131.08577	4.3
133.10127	12.0
135.07085	1.2
135.08055	13.9
135.11655	3.6
137.09598	1.3
139.07539	5.4
142.07794	2.2
143.08546	6.8
145.10133	3.8
147.08063	3.3
147.11702	7.3
149.09669	0.8
149.13229	4.8
153.07008	1.2
153.09117	3.5
154.07632	1.0
155.08516	1.5
157.08595	1.9
157.10120	9.2
159.11664	7.2
161.09596	2.5
161.13235	13.9
163.14813	6.3
165.06976	3.1
165.09174	0.9
168.05652	0.8
169.06340	0.7
169.10159	1.5
170.10945	0.8
171.11697	3.7
172.22162	0.7
173.13237	2.1
175.11166	1.0
175.14813	1.2
183.06522	0.8
183.08025	1.6
184.12468	1.0
187.14865	2.0
189.12775	0.8
189.16344	8.8
193.06491	0.8
199.14835	17.2
205.15947	1.2
207.17433	2.1
211.07564	1.7
217.15857	14.1
221.06053	0.8
229.09593	1.5
230.58421	0.7
235.16917	74.3
236.17245	1.4
253.17978	100.0
254.18326	1.9
271.05994	2.1
271.09671	5.0
271.19089	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01873	5.1
55.05503	21.8
55.76511	2.5
56.96555	11.5
57.03429	4.6
57.07061	5.5
57.90809	3.2
59.04993	4.0
60.81303	2.5
65.03922	3.0
67.05496	16.1
68.02631	2.8
69.03431	19.2
69.07059	12.3
70.06586	10.1
71.04986	10.6
71.63619	4.1
72.08156	3.7
73.02906	6.6
75.04472	5.3
79.01841	3.5
79.05508	13.3
81.03419	19.9
81.07053	47.5
83.04973	24.7
83.08601	21.2
84.04507	2.9
84.08133	5.1
85.02882	3.6
85.06544	4.5
87.04465	14.3
91.05482	18.9
93.07047	24.9
95.04977	13.8
95.08607	26.0
96.08144	2.8
97.02893	21.9
97.06532	11.9
105.07027	35.3
107.04990	16.3
107.08590	21.4
109.02860	5.2
109.06512	11.7
109.10143	22.5
109.62050	2.9
111.04443	33.4
111.08073	7.4
113.06034	15.6
117.07008	6.3
119.04939	7.2
119.08576	25.1
121.02927	3.0
121.06485	4.7
121.10115	15.1
123.04425	7.1
123.08091	4.0
123.11745	3.1
125.02350	70.0
125.05984	10.8
125.09639	2.8
129.06941	3.7
131.05049	4.4
131.08563	4.9
133.06471	2.8
133.10100	16.6
135.04469	4.3
135.08040	3.8
135.11697	7.9
137.05977	9.0
139.03902	66.0
141.05412	14.2
142.07750	4.0
143.00145	9.0
143.08539	6.0
145.10028	6.6
147.04420	3.7
147.11678	9.0
149.09595	3.2
151.03882	23.0
153.01826	7.0
153.06911	2.8
153.09087	5.5
155.08569	3.0
157.08913	2.6
157.10103	15.6
159.11694	30.9
161.01244	14.6
161.09610	18.7
161.13268	18.7
165.05548	3.3
165.07066	8.0
167.07045	9.9
167.10760	2.8
173.13303	3.7
174.08659	3.3
175.09686	8.8
177.12830	4.0
179.07045	4.6
179.10661	3.5
179.14293	4.6
181.03178	6.7
181.06444	3.3
183.08131	3.6
185.01270	3.4
189.16360	20.6
199.14763	16.8
211.05994	20.6
211.07671	8.1
217.15840	29.2
225.07556	79.3
227.09074	17.0
235.16924	100.0
249.02855	6.9
253.07010	19.3
267.03928	9.9
271.06000	17.5
271.09641	5.8
271.26407	5.5
272.13065	4.4
272.16162	3.1
285.04956	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	271.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01873	5.1
55.05503	21.8
55.76511	2.5
56.96555	11.5
57.03429	4.6
57.07061	5.5
57.90809	3.2
59.04993	4.0
60.81303	2.5
65.03922	3.0
67.05496	16.1
68.02631	2.8
69.03431	19.2
69.07059	12.3
70.06586	10.1
71.04986	10.6
71.63619	4.1
72.08156	3.7
73.02906	6.6
75.04472	5.3
79.01841	3.5
79.05508	13.3
81.03419	19.9
81.07053	47.5
83.04973	24.7
83.08601	21.2
84.04507	2.9
84.08133	5.1
85.02882	3.6
85.06544	4.5
87.04465	14.3
91.05482	18.9
93.07047	24.9
95.04977	13.8
95.08607	26.0
96.08144	2.8
97.02893	21.9
97.06532	11.9
105.07027	35.3
107.04990	16.3
107.08590	21.4
109.02860	5.2
109.06512	11.7
109.10143	22.5
109.62050	2.9
111.04443	33.4
111.08073	7.4
113.06034	15.6
117.07008	6.3
119.04939	7.2
119.08576	25.1
121.02927	3.0
121.06485	4.7
121.10115	15.1
123.04425	7.1
123.08091	4.0
123.11745	3.1
125.02350	70.0
125.05984	10.8
125.09639	2.8
129.06941	3.7
131.05049	4.4
131.08563	4.9
133.06471	2.8
133.10100	16.6
135.04469	4.3
135.08040	3.8
135.11697	7.9
137.05977	9.0
139.03902	66.0
141.05412	14.2
142.07750	4.0
143.00145	9.0
143.08539	6.0
145.10028	6.6
147.04420	3.7
147.11678	9.0
149.09595	3.2
151.03882	23.0
153.01826	7.0
153.06911	2.8
153.09087	5.5
155.08569	3.0
157.08913	2.6
157.10103	15.6
159.11694	30.9
161.01244	14.6
161.09610	18.7
161.13268	18.7
165.05548	3.3
165.07066	8.0
167.07045	9.9
167.10760	2.8
173.13303	3.7
174.08659	3.3
175.09686	8.8
177.12830	4.0
179.07045	4.6
179.10661	3.5
179.14293	4.6
181.03178	6.7
181.06444	3.3
183.08131	3.6
185.01270	3.4
189.16360	20.6
199.14763	16.8
211.05994	20.6
211.07671	8.1
217.15840	29.2
225.07556	79.3
227.09074	17.0
235.16924	100.0
249.02855	6.9
253.07010	19.3
267.03928	9.9
271.06000	17.5
271.09641	5.8
271.26407	5.5
272.13065	4.4
272.16162	3.1
285.04956	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	271.1903
Annotation	Celorbicol
Peak:m/z	Relative Intensity
55.01865	5.3
55.05507	9.3
57.03453	1.8
65.03936	2.4
67.05501	15.5
69.03423	3.0
69.07055	11.7
71.05002	3.0
71.62495	2.0
71.62844	2.6
79.05490	12.5
81.03427	1.9
81.07053	33.8
83.04987	6.9
83.08625	4.9
85.06562	2.3
91.05473	14.9
93.07043	17.0
95.04974	4.9
95.08608	27.9
97.06543	16.8
97.10176	12.0
102.74395	1.7
105.07024	19.6
107.04940	2.3
107.08598	23.5
109.06516	4.2
109.10159	19.3
111.04450	8.0
111.08086	3.3
111.11733	3.0
114.47657	1.7
117.07023	2.3
119.04950	3.1
119.08567	18.7
121.06506	6.3
121.10152	6.7
123.08063	2.1
123.11732	6.7
127.07623	2.1
128.06192	2.7
128.67307	1.6
129.06935	2.4
131.08554	5.2
133.10127	13.8
135.08055	15.3
135.11705	3.5
137.05952	2.3
139.07568	4.2
143.08557	8.5
145.10152	6.4
147.08029	3.0
147.11737	7.9
149.13263	5.1
153.06975	8.5
153.09077	3.8
154.07864	1.7
155.08566	5.9
157.08678	1.8
157.10078	9.7
159.11760	8.5
161.09653	2.5
161.13260	14.3
163.14841	6.6
165.07019	17.5
165.09099	2.0
168.05695	5.1
169.06450	1.8
171.11658	3.9
181.06516	4.8
182.07201	2.1
183.08043	10.8
187.14909	2.0
189.16364	8.4
193.06442	2.9
196.05223	8.1
197.05815	2.5
199.14778	18.9
203.03398	1.7
207.17375	2.2
211.07539	26.0
212.08128	2.9
213.05357	4.9
217.15842	13.2
221.06033	4.7
227.07037	2.6
228.07631	6.1
235.16922	80.3
236.17291	2.8
239.07097	9.5
240.07747	5.4
242.09325	2.3
243.10143	4.2
253.17998	100.0
256.07071	7.5
271.06104	6.3
271.09549	49.6
271.24237	5.8
272.09830	2.0
275.41962	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	271.1903
Annotation	Celorbicol
Peak:m/z	Relative Intensity
53.03930	1.5
53.74214	1.1
54.70462	1.5
55.01855	2.0
55.05507	10.4
55.66349	1.4
58.76740	1.1
60.10748	1.2
61.02914	2.0
66.37920	1.2
67.05503	13.0
69.03434	1.5
69.07063	7.7
69.60758	1.3
69.61581	8.9
69.77405	1.1
71.04981	2.9
79.05157	1.0
79.05500	10.4
80.12218	1.2
81.03377	1.5
81.07053	29.5
83.04971	4.6
83.08611	4.3
91.03942	2.2
91.05482	9.8
93.03387	1.2
93.07044	13.2
95.04954	4.0
95.08607	24.5
97.06528	16.7
97.10165	13.8
105.07031	18.5
107.04923	2.9
107.08607	16.0
109.06516	3.3
109.10162	14.6
111.04437	8.0
111.08043	3.5
111.11711	1.9
117.07024	3.5
119.08574	15.2
121.06457	6.2
121.10163	8.2
123.08075	2.2
123.11681	5.3
125.05862	1.4
127.07512	2.2
129.06964	3.3
131.08566	4.1
133.10129	13.3
135.08047	13.2
135.11723	2.2
139.07536	4.2
143.08572	9.1
145.10121	4.5
147.08052	4.2
147.11642	6.3
149.09616	1.4
149.13290	3.8
153.09082	3.7
156.09300	1.7
157.10124	9.7
159.11700	8.9
161.09560	3.3
161.13252	17.6
163.14854	6.4
169.43655	1.3
171.11664	3.9
173.13231	2.2
175.14864	2.1
183.08064	1.3
187.14766	2.3
189.16373	10.7
199.14813	18.5
205.15907	2.1
207.17436	1.6
217.15895	15.3
220.78137	1.3
229.09648	1.9
235.16928	75.3
236.17244	1.2
238.22160	1.3
253.17984	100.0
254.18361	1.8
271.09760	2.2
285.58337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Benzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	2.6
54.32576	0.9
54.51723	0.8
55.01873	10.3
55.05511	57.8
57.03419	0.9
61.02920	2.1
61.81853	0.9
66.46138	0.8
67.05502	11.2
69.03418	3.0
69.07068	30.2
70.89077	2.3
71.04951	1.4
74.51289	0.8
79.05490	8.8
81.07040	3.6
83.08617	100.0
84.08942	1.0
85.32765	0.9
85.85214	0.8
87.04449	1.0
87.08075	3.2
91.05483	10.7
91.11959	0.8
93.07045	23.6
95.04973	4.4
95.08606	9.5
97.02876	3.6
97.06530	4.0
97.28863	0.7
99.04445	1.2
103.05446	2.5
105.07005	1.8
107.04963	0.9
107.08601	1.1
109.02893	1.2
109.06461	1.4
109.10143	1.1
111.08080	38.0
114.39297	0.8
115.03931	7.3
119.04945	1.9
119.08572	2.1
121.06532	9.3
121.10194	1.1
123.04362	1.5
127.03925	1.3
129.09096	7.5
129.60263	0.8
133.10155	1.8
137.05951	2.3
139.07533	11.5
141.06943	1.3
152.06157	1.6
153.07018	6.4
155.08560	2.8
157.08595	21.4
157.15674	1.0
159.11725	2.1
160.10620	0.8
161.09673	1.2
165.06993	14.1
168.05699	1.8
169.05002	2.1
169.06346	1.7
175.09657	62.8
177.12817	1.0
179.10779	1.1
181.06505	3.4
182.07196	1.2
183.08025	6.8
185.06026	1.0
193.06367	1.7
193.24313	0.9
196.05141	1.7
197.05914	1.5
198.06860	1.0
200.08249	1.4
207.10161	2.5
211.07509	7.6
212.08203	1.2
213.05376	1.6
217.15994	1.2
221.05974	2.4
225.11247	4.8
228.07771	1.1
235.16986	1.6
239.06987	2.0
241.49443	0.8
243.12253	3.5
253.08565	1.1
253.10751	10.3
271.05927	6.1
271.09540	9.4
271.11743	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03923	2.1
55.01865	14.4
55.05507	45.4
57.03431	1.7
65.03914	1.7
67.05495	9.4
69.03417	3.0
69.06714	1.6
69.07062	26.1
71.65150	1.4
74.97800	1.1
79.05503	7.8
80.43825	1.2
81.07037	2.4
83.04952	1.0
83.08613	100.0
84.08945	1.4
85.02887	1.7
87.08078	2.9
89.13480	1.1
91.04948	1.8
91.05473	19.0
93.07035	18.7
95.04958	6.9
95.05508	1.6
95.08595	9.6
97.02865	3.1
97.06502	4.7
99.04454	1.7
103.05450	4.0
107.04947	2.5
109.02857	1.3
109.06470	1.3
109.10125	1.7
111.07354	2.5
111.08072	31.0
115.03918	5.7
115.05441	2.9
117.03411	1.0
118.04123	1.9
119.04933	9.4
119.08561	1.4
121.06483	14.0
123.04401	2.0
129.06976	3.3
129.09116	6.6
133.10020	1.3
134.03584	1.8
135.04366	1.7
137.05959	6.5
139.07518	12.0
141.06992	6.5
143.08565	1.4
147.04402	2.1
149.05962	3.0
150.06740	2.5
152.06209	7.4
153.06975	27.7
154.07761	4.1
155.08559	16.1
157.06497	2.7
157.08598	19.1
165.06993	69.3
168.05731	11.2
169.05045	1.9
169.06479	6.9
170.07242	2.0
171.08073	1.4
175.09647	57.2
180.05659	1.5
180.07796	1.2
181.06480	13.0
182.07239	6.7
183.08047	35.3
185.05919	5.2
193.06360	10.4
193.07973	1.2
194.07378	1.2
195.08049	1.5
196.05177	8.4
197.05977	7.3
197.09526	1.6
198.06685	1.4
199.07501	2.3
200.08356	3.6
207.04407	3.4
207.09944	2.1
209.05887	2.1
210.06760	4.5
211.07530	37.6
212.08235	4.7
213.05307	2.4
213.09006	2.6
221.05971	11.3
224.40172	1.1
225.09001	4.7
225.11227	4.7
227.07066	2.4
228.07751	4.5
239.07002	12.3
242.09381	4.8
243.10120	2.8
243.12256	4.0
253.08524	2.3
253.10718	9.6
256.07324	2.8
271.06198	2.2
271.09573	66.0
271.11841	34.9
272.09885	1.9
277.14676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01863	4.7
55.05510	8.1
56.05022	2.1
56.96565	96.0
57.03434	9.5
57.07075	3.1
58.06615	1.9
58.99846	5.2
59.99939	3.2
60.04525	2.1
60.05655	2.5
60.95842	6.4
61.02917	6.6
65.03933	1.8
67.05496	4.8
69.03432	17.1
69.07058	6.7
70.06600	24.2
70.59031	4.9
70.98098	3.6
71.01352	1.9
71.04983	7.7
71.06927	3.4
71.95258	3.7
72.08147	4.7
73.02918	10.1
73.06511	1.5
74.97620	3.5
77.00896	4.5
78.01019	2.1
79.05479	4.8
79.69288	1.7
81.03426	8.2
81.07037	5.6
82.06576	2.2
83.04960	3.0
83.06091	4.5
84.08126	8.4
84.96043	10.0
85.02903	23.6
85.05138	3.3
86.09689	7.5
87.04458	3.7
88.99153	2.8
91.03949	2.4
91.05476	2.1
92.05017	2.9
93.07037	1.7
95.01318	3.8
95.06076	5.3
95.08608	2.0
96.06422	2.1
96.08105	2.0
97.02896	21.1
97.06517	3.6
98.97586	53.4
99.04433	3.5
99.08106	1.9
101.00882	11.4
103.02446	3.7
107.04955	3.4
109.02851	3.2
110.06046	30.3
110.07165	26.3
110.97567	3.9
111.04456	5.4
111.05498	1.7
111.07484	4.9
112.08717	3.2
113.04621	4.1
115.00682	1.9
115.02440	4.8
116.00220	1.9
116.07083	2.8
116.97810	3.0
116.98622	51.7
117.02129	1.6
118.03503	2.2
119.01919	100.0
119.04918	3.1
120.02039	4.3
121.01657	2.0
123.04413	2.6
124.07633	2.1
124.99123	3.9
125.02436	2.2
126.02357	1.6
127.03916	8.6
127.08637	2.0
128.02315	2.9
128.98598	6.6
129.03966	1.9
129.10204	2.7
130.09723	2.1
130.93269	10.0
131.00151	3.4
131.01869	10.7
133.01724	2.9
133.03468	7.2
134.01303	4.1
134.03587	1.7
134.99652	41.1
135.03162	2.4
136.06210	2.8
136.07565	1.7
137.01959	2.8
137.02957	46.8
137.03989	3.0
137.04634	1.9
137.90514	1.7
138.03087	2.4
138.05470	7.7
138.06415	1.8
139.03970	8.1
139.05974	16.7
140.00156	2.1
140.05661	5.5
140.98656	1.7
141.04019	6.4
141.44722	1.8
142.01801	2.1
142.03534	5.8
143.00142	10.2
143.01846	2.4
145.01695	3.2
145.03458	26.1
145.04578	2.8
146.99623	8.9
147.01370	4.8
147.03197	3.7
147.04993	2.3
148.94356	4.6
149.01213	5.3
149.02982	2.0
151.02744	1.9
152.07028	3.1
153.00691	7.6
153.01799	2.3
153.04048	2.0
154.03758	2.2
154.94147	2.0
156.07652	3.2
157.03465	6.9
157.07153	2.0
158.05011	2.0
158.99638	8.8
159.03241	3.3
159.05051	5.8
160.02794	8.5
160.05132	4.0
160.06386	1.8
161.01221	20.6
161.02895	5.8
161.04840	2.3
161.06537	2.0
162.99181	2.0
163.02737	3.0
163.04503	14.3
165.00655	2.7
166.09744	3.2
168.03642	3.9
168.05431	9.2
169.03009	2.4
170.05028	2.5
170.99651	4.0
171.01346	3.5
171.05028	2.3
172.94380	6.1
173.01158	4.2
173.02768	2.4
173.04897	3.9
173.06479	3.2
174.97688	3.0
174.99124	4.4
175.02867	3.1
175.04463	7.5
175.08092	2.8
175.11919	4.8
176.04861	2.2
177.00787	8.2
177.04352	2.7
177.05995	20.8
178.06244	4.1
179.02228	6.7
180.12115	2.2
181.04956	2.7
182.03418	3.2
183.01485	3.9
183.05112	4.0
183.06749	3.9
184.03967	4.9
185.01379	2.8
185.02942	10.0
185.04491	2.5
186.03087	3.1
186.99176	3.8
187.02667	5.2
187.04359	2.5
188.56798	3.8
189.00687	4.8
189.02403	10.1
189.04297	7.0
190.95346	22.8
191.02271	3.0
191.03917	4.4
191.05807	5.4
191.07492	3.5
192.98651	2.9
193.00195	6.4
193.03615	2.9
194.09239	5.7
195.01640	1.9
195.05054	5.0
199.04419	9.4
199.06265	2.1
200.04410	3.9
201.00787	3.4
201.02452	6.9
201.04266	2.4
201.06065	4.1
201.07828	6.0
202.01030	1.9
203.02284	2.6
203.03981	8.9
203.05737	2.6
203.07626	2.1
204.02864	2.4
205.00201	2.9
205.05470	3.5
206.06886	3.3
206.92557	1.9
207.03514	3.3
207.05414	3.8
208.04550	2.0
208.96471	17.4
209.03009	2.1
212.02203	2.9
213.06125	2.5
213.97055	2.4
214.05920	2.6
215.02350	2.6
216.97025	3.6
216.98758	6.0
217.05510	6.2
219.01810	5.0
219.03561	4.8
221.05063	4.5
223.01141	3.3
224.08000	5.0
225.14250	13.4
227.04001	5.6
228.06706	2.9
229.01961	9.6
229.05528	4.3
230.03378	4.3
230.06946	10.2
231.05350	2.3
232.96423	6.1
233.03258	2.3
234.99846	3.6
237.02817	6.3
243.06999	2.9
245.05093	3.2
248.04343	3.1
248.05528	2.0
248.08080	23.5
248.95975	3.7
248.99167	5.7
249.02789	7.0
250.97517	5.7
253.13693	2.7
254.15073	2.6
255.03961	1.9
260.95969	2.5
264.95499	3.6
266.09094	2.3
267.00134	5.1
267.03873	4.9
271.06314	7.7
271.09708	3.8
271.14856	27.0
271.17554	3.1
271.20407	2.4
272.09583	3.3
272.16116	10.1
272.18701	1.8
285.05020	2.7
288.92432	1.8
288.95563	2.6
289.03879	2.3
290.05508	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	269.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01858	0.9
55.05507	3.4
59.59274	0.5
65.03931	0.6
67.05503	6.4
69.07056	2.9
69.14755	0.6
70.78200	1.3
71.04972	2.1
79.05495	5.6
81.03417	0.8
81.07057	11.3
83.04949	0.7
83.08608	0.9
85.06538	11.7
88.80842	0.6
90.24644	0.6
91.05474	12.9
93.07034	28.2
95.04960	2.6
95.08600	19.9
97.06518	2.8
100.11719	0.6
103.05478	0.9
105.04565	0.7
105.07019	20.4
107.08583	10.2
108.82301	0.6
109.06491	2.2
109.10175	3.0
111.08070	0.9
115.05426	1.4
117.07013	4.0
119.08565	14.1
121.06481	1.4
121.10144	5.0
123.08043	1.4
128.06194	2.2
129.06995	7.0
130.07744	1.2
131.08565	16.4
133.06519	0.7
133.10129	6.2
135.08037	1.8
135.11685	1.9
137.09558	1.0
141.06929	3.6
142.07779	4.7
143.08546	14.4
144.09312	1.8
145.06497	0.8
145.09019	0.9
145.10114	11.9
147.10439	0.6
147.11642	3.2
149.09514	1.1
153.06984	2.5
154.07782	2.6
155.08551	16.8
156.09326	5.5
157.10112	14.1
159.08098	0.8
159.11679	16.8
160.12404	1.3
161.09578	2.6
161.13264	1.7
163.11147	0.8
165.06987	2.6
166.07735	1.0
167.08536	6.2
168.09305	3.4
169.10130	21.7
170.10812	1.9
171.08044	1.4
171.11682	11.0
173.09595	2.2
173.13243	3.5
175.11150	5.5
177.12863	1.3
179.08513	4.2
180.09343	3.8
181.10101	11.6
182.10892	4.1
183.11676	11.1
184.12270	0.7
185.09645	1.1
185.13191	5.6
187.11215	3.3
187.14780	0.9
189.12700	3.8
193.10139	2.6
194.10909	3.8
195.08028	0.8
195.11673	14.5
196.12431	6.8
197.13237	6.4
198.10265	0.7
198.13934	1.0
199.11188	1.9
199.14801	4.7
201.12743	1.3
207.11716	1.8
208.12436	2.4
209.13237	15.9
210.13837	1.0
211.14803	41.1
212.11928	0.7
212.15440	1.3
213.09109	2.2
213.12703	5.5
213.16409	2.1
221.13217	1.6
222.14038	1.8
223.14854	6.8
225.12868	0.7
225.16359	6.8
226.16956	0.7
227.10626	0.8
227.14291	3.4
227.17860	3.7
236.15572	2.1
241.15852	2.6
241.19434	5.7
251.14305	2.6
251.17926	23.9
254.16811	0.7
269.15454	10.5
269.18979	100.0
269.22345	4.9
270.15701	0.7
270.19333	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	269.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00149	0.5
51.70972	0.5
53.03946	3.0
55.05497	2.3
55.70544	0.5
57.07060	0.7
66.36541	0.5
67.05509	4.3
69.07068	2.4
70.27218	2.4
70.71642	0.5
71.05000	1.2
71.67258	0.5
77.03886	0.7
79.05497	3.3
81.03386	0.5
81.07060	7.9
83.08600	0.8
85.06052	1.0
85.06534	11.7
91.05475	17.3
93.07035	43.6
95.04961	5.4
95.08601	11.8
97.06488	0.7
99.08088	0.8
100.51327	0.4
105.04477	1.0
105.07022	13.7
107.08588	6.1
109.06514	1.2
109.10166	1.2
111.08073	1.3
115.05407	1.2
117.07039	2.5
119.08566	15.4
121.06503	0.6
121.10139	2.6
128.06200	2.4
129.06990	4.5
129.67661	0.7
131.08557	17.2
133.10101	5.5
133.56374	0.5
135.08078	0.8
137.09540	0.7
141.06967	3.4
142.07768	4.9
143.08553	11.3
144.09344	0.7
145.06500	0.5
145.10123	9.4
147.05989	0.5
147.08015	1.0
147.11705	2.9
152.06227	0.6
153.06973	1.3
154.07770	2.6
155.07367	1.1
155.08540	13.8
156.09329	7.2
157.10123	10.5
159.08084	0.7
159.11681	14.6
161.09604	2.4
161.13235	0.9
163.11110	0.7
165.07005	1.9
166.07785	1.0
167.08560	5.0
168.09317	3.4
169.10117	19.6
170.10858	3.6
171.08035	1.4
171.11678	10.9
173.09645	1.4
173.13225	2.2
175.11128	2.9
177.12698	0.6
179.08554	2.0
180.09320	1.7
181.10107	10.4
182.10930	4.2
183.11685	12.6
184.12439	0.9
185.09621	1.2
185.13272	4.5
187.11153	1.7
187.14819	1.6
189.12730	7.3
193.10088	2.1
194.10901	1.8
195.11685	9.8
196.12473	8.7
197.09717	0.5
197.13242	7.1
198.14014	1.3
199.11127	1.4
199.14767	4.3
200.11855	0.6
200.15628	1.1
200.96318	0.6
201.12672	0.6
202.13431	1.0
207.11612	1.1
208.12375	1.7
209.13260	10.9
210.13962	1.2
211.14803	47.2
212.15503	2.8
213.09114	0.9
213.12756	4.5
213.16356	2.9
221.13229	1.0
222.14139	1.2
223.14825	6.7
225.12779	0.5
225.16406	3.9
226.17137	2.0
227.10555	0.9
227.14229	2.5
227.17896	2.0
236.15584	1.3
241.15814	1.8
241.19455	5.1
251.14252	1.3
251.17938	13.5
269.15503	7.9
269.18976	100.0
270.08649	0.7
270.19681	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	269.1898
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
51.02390	0.6
53.01987	0.8
53.03936	1.4
55.05511	4.5
57.03408	1.1
67.05501	9.3
69.03429	1.0
69.07066	3.7
69.50629	5.9
71.04993	1.7
77.03900	0.8
78.80726	0.7
79.05488	10.1
81.07050	16.8
83.04984	0.9
83.08610	1.1
85.06546	10.8
91.05479	14.8
93.07042	28.3
95.04970	2.7
95.08604	32.0
97.06509	1.4
98.20737	1.5
103.05478	0.7
105.07027	23.9
107.04932	1.0
107.08597	15.1
109.06511	2.6
109.10139	3.6
111.08050	1.3
117.07011	5.4
119.08576	14.8
121.06496	4.1
121.10139	9.1
123.08069	1.2
128.06224	3.2
129.07025	5.8
131.08560	15.9
133.10136	7.4
135.08037	3.7
135.11682	2.6
141.06915	3.6
142.07791	4.8
143.08568	12.6
144.09338	1.7
145.10127	12.4
147.08073	1.8
147.11690	4.6
149.09622	1.5
153.06961	1.8
154.07756	3.9
155.08557	17.1
156.09357	3.9
157.10117	12.2
159.08055	1.3
159.11678	15.9
161.09627	4.9
161.13245	2.1
163.11240	1.3
165.06982	2.5
166.07829	1.8
167.08566	6.0
168.09364	2.8
169.10126	14.0
170.10844	1.5
171.08034	1.9
171.11681	12.3
172.12582	0.8
173.09625	3.3
173.13255	3.1
175.11218	8.0
177.12820	2.0
179.08557	3.6
180.09323	4.0
181.10115	11.9
182.10858	3.0
183.11665	10.0
184.12502	1.8
185.09578	2.1
185.13254	7.6
187.11188	2.6
189.12791	4.7
193.10114	2.3
194.10899	2.6
195.11699	13.9
196.12448	6.9
197.09569	0.8
197.13228	4.3
198.13812	1.2
199.11206	2.1
199.14822	5.4
201.12682	1.3
207.11650	1.8
208.12453	1.3
209.13260	13.3
211.14818	40.7
212.15186	0.8
213.09264	1.2
213.12715	9.5
213.16374	2.8
221.13158	2.1
222.13998	1.8
223.14787	5.5
225.16360	4.1
226.17206	2.5
227.14322	4.1
227.17905	4.2
232.48941	0.8
236.15538	2.5
241.15826	2.3
241.17017	0.8
241.19460	11.9
241.45319	0.8
251.17928	27.8
251.20517	1.5
269.18994	100.0
270.19351	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19124	2.5
53.03944	2.5
55.05510	8.6
57.03428	4.4
57.07065	2.8
57.12433	2.3
62.31128	2.4
65.03951	2.4
67.05510	15.9
68.63593	2.1
69.03418	6.8
69.07054	8.4
70.06598	2.8
70.76685	3.1
70.77020	5.0
71.04980	6.1
71.43687	2.2
75.04453	3.3
79.05489	13.6
81.07059	31.9
83.04983	5.7
83.08619	3.1
85.02912	5.2
85.06548	4.4
86.09708	2.8
91.05470	16.5
93.07030	22.2
95.04974	11.5
95.08613	12.4
97.02937	2.6
97.06538	7.3
103.05450	3.3
104.33105	2.4
105.07018	25.7
105.58498	2.7
107.04958	100.0
107.08585	23.5
108.05286	3.0
109.06514	15.3
109.10161	10.0
110.07163	3.3
111.04473	2.9
111.08083	5.9
115.05441	11.6
117.07011	8.3
119.05017	2.9
119.08559	18.6
120.08123	3.8
121.06480	6.3
121.10159	10.0
123.08088	6.2
123.11684	3.8
125.05959	2.6
128.68007	2.2
129.06940	5.3
131.04843	3.0
131.08578	7.9
133.10126	13.5
135.02985	3.0
135.08069	6.6
135.11731	5.3
136.06165	3.1
137.05940	19.8
137.09612	6.5
142.07758	5.1
143.04910	13.5
145.06448	12.0
145.10110	13.8
147.04485	2.9
147.08008	3.5
147.11679	14.3
149.05905	3.0
149.09659	5.9
149.13281	3.1
151.03972	5.4
151.11160	4.0
152.05676	35.7
153.04103	4.8
153.06119	26.2
154.04427	2.7
157.10172	12.4
159.11699	15.8
160.05228	5.8
163.07529	2.9
163.11163	7.1
165.07024	3.7
165.12723	4.7
166.07854	3.1
167.07137	3.0
171.11710	2.9
173.09653	5.3
173.13266	6.8
175.07549	11.9
175.11163	20.0
177.05350	3.6
177.12737	8.4
181.12164	2.4
182.04092	2.4
187.14828	8.1
189.12697	3.1
191.07080	5.1
191.08549	3.1
191.14348	7.3
193.12297	3.6
194.07195	5.3
197.13231	5.2
203.14326	3.9
205.06537	2.6
205.15988	3.8
207.13765	3.9
209.09683	11.6
215.14285	16.5
221.15401	4.3
223.07555	5.8
226.06255	4.4
233.15387	22.4
234.12088	3.5
237.05431	3.9
237.09065	10.8
251.09229	4.6
251.16444	22.7
253.99611	2.7
269.08133	10.9
269.11719	45.3
269.14432	12.3
269.17572	14.2
270.11478	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	269.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05508	3.9
57.07055	0.7
64.89973	0.6
67.05495	7.1
69.07076	3.8
70.04556	1.3
70.04966	2.5
71.04974	2.2
71.08606	0.7
72.01744	0.8
74.14700	0.6
74.37175	0.8
77.64507	0.8
79.05486	7.4
81.07057	20.2
83.08599	0.9
85.06538	14.5
91.05473	15.6
93.07045	30.0
95.04973	3.8
95.08603	15.3
97.06515	1.6
97.10160	0.8
99.08079	1.8
105.07028	43.0
107.08592	10.5
109.06521	4.8
109.10143	3.0
111.08064	1.7
115.05444	2.0
116.06281	0.9
117.07013	5.7
119.07774	1.3
119.08582	18.4
119.09429	0.9
121.06487	1.8
121.10119	3.7
123.08015	1.5
125.03803	0.7
128.06226	3.1
129.06995	6.7
130.07794	1.3
131.08565	21.9
133.10121	12.9
135.08014	2.4
135.11682	2.2
138.54959	0.7
140.04155	0.7
141.06970	4.4
142.07777	11.4
143.08566	14.6
144.09293	2.1
145.06451	1.0
145.10117	14.6
147.08011	1.3
147.11691	3.9
149.09642	1.1
149.13264	1.0
153.06978	2.8
154.07788	4.3
155.08553	19.0
156.09363	5.4
157.10126	25.8
158.10762	1.1
159.08075	1.7
159.11688	16.6
161.09618	2.2
161.13231	4.3
163.11240	1.5
165.06972	3.4
166.07765	2.2
167.08553	6.0
168.09331	3.8
169.10129	28.2
170.10788	2.6
171.08057	1.4
171.11690	13.3
173.09599	2.1
173.13243	8.9
175.11192	9.7
177.12692	2.9
179.08501	5.0
180.09315	3.7
181.10123	14.0
182.10886	4.8
183.10185	1.3
183.11693	14.7
184.12399	1.5
185.09579	1.3
185.13264	5.4
187.11143	2.9
187.14705	1.2
189.12738	3.2
193.10109	4.2
194.10941	5.5
195.08008	0.7
195.11674	18.1
196.12459	7.9
197.13287	8.5
198.13844	1.0
199.07568	1.5
199.11168	2.8
199.14812	5.9
201.12842	1.7
207.11688	2.6
208.12402	2.0
209.09836	0.7
209.13245	19.2
210.13930	1.6
211.14809	43.6
212.15196	1.7
213.09189	1.6
213.12735	6.7
213.16365	1.8
221.13249	1.7
222.13962	1.2
223.14806	11.4
225.16383	9.7
226.17023	1.1
227.10643	0.9
227.14381	4.6
227.17964	5.7
236.15582	3.1
241.15868	3.1
241.19536	4.5
251.14337	1.9
251.17955	27.5
269.15442	16.3
269.18988	100.0
270.15857	1.1
270.19330	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
53.03926	4.0
55.01863	3.2
55.05511	20.2
57.03159	1.9
57.03435	33.1
57.07057	4.0
65.03937	2.2
67.05502	74.4
69.06728	2.0
69.07065	26.4
71.05001	7.2
71.08611	1.7
71.23533	3.1
79.05492	40.8
81.03426	2.4
81.07053	100.0
83.04966	12.4
83.08612	18.6
85.06526	5.5
91.04977	2.0
91.05477	25.1
93.07038	69.8
94.37148	1.3
95.04953	8.1
95.08605	26.5
97.06523	15.4
97.10156	3.8
99.04445	1.6
99.08070	4.9
105.07014	9.2
107.08590	35.9
109.06502	2.2
109.10147	4.1
111.08109	7.0
114.70258	1.6
117.07008	9.4
119.08621	3.2
121.06483	2.8
121.10144	18.6
123.11646	2.1
131.08545	9.6
133.10115	10.4
135.08063	3.0
135.11714	12.6
138.23329	1.5
139.11172	3.3
149.13255	38.8
151.11188	2.4
159.11684	20.5
159.79744	1.4
167.14308	2.0
177.12779	9.7
195.13779	11.2
213.14824	2.3
227.07048	1.7
269.17450	47.0
270.08905	1.4
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	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.47428	1.2
53.03929	3.8
53.94801	1.1
55.01858	3.3
55.05505	21.5
57.03434	33.2
57.07058	3.7
65.03923	2.6
65.93035	1.3
67.05501	76.2
69.06709	2.0
69.07062	28.4
70.86234	2.5
70.86596	2.7
71.04985	7.2
71.08646	1.2
79.05489	46.2
81.03407	2.5
81.07052	100.0
82.07383	1.6
83.04985	8.9
83.08615	18.1
85.06538	4.0
91.05474	28.5
93.07040	70.0
95.04958	8.0
95.08599	25.5
97.06525	13.9
97.10172	2.5
99.08067	3.7
104.54378	1.2
105.07038	9.8
107.08585	33.9
109.06503	3.3
109.10149	4.6
111.08059	9.2
117.07022	12.7
119.08586	3.9
121.10138	20.5
123.08071	1.8
123.11675	4.5
129.06966	1.4
131.08571	12.8
133.10104	16.1
135.08066	1.8
135.11693	13.0
139.11124	1.3
149.09654	2.2
149.13248	36.4
151.11182	3.3
157.10127	1.6
159.11682	21.1
167.14293	2.7
177.12704	11.2
195.13774	14.4
200.94681	1.5
269.17465	54.9
270.17755	1.4
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
53.03926	4.0
55.01869	2.8
55.05511	19.9
57.03436	31.0
57.07056	4.4
65.03936	2.6
67.05502	79.3
69.06719	2.1
69.07069	28.9
71.04998	6.7
71.25912	2.3
71.34470	1.1
79.05490	48.3
81.03406	1.6
81.07054	100.0
83.04990	9.3
83.08611	18.8
85.06527	5.3
91.04958	2.3
91.05482	26.1
93.07040	64.5
95.04954	8.5
95.08604	23.6
97.06523	15.4
97.10133	1.3
99.08085	4.5
105.07034	12.4
105.60802	1.2
107.04948	1.8
107.08589	32.1
109.06501	4.2
109.10130	4.9
111.08078	7.9
117.07020	11.2
119.08529	1.4
121.06470	1.5
121.10153	19.9
122.69754	1.5
123.11697	2.7
131.08566	11.6
133.10118	11.6
135.08069	2.1
135.11694	11.0
139.11157	1.9
143.08601	1.8
147.11679	2.6
149.09732	1.2
149.13249	41.1
151.11215	1.7
159.11688	24.1
167.14212	1.5
177.12784	10.4
195.13811	12.9
213.14903	1.3
241.92955	1.2
269.17462	49.1
270.14859	1.4
270.24338	1.4
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	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03929	4.3
55.01860	4.1
55.05508	22.7
56.96560	1.6
57.03434	30.7
57.07063	3.2
64.98594	1.4
65.03942	2.9
67.05502	75.0
69.07066	26.5
71.04967	5.9
71.05314	1.3
71.60046	1.3
71.65740	2.0
73.68320	1.3
79.05491	44.2
81.03387	2.3
81.07054	100.0
83.04971	10.2
83.08611	17.1
85.06523	4.2
87.54469	1.2
89.27967	1.3
91.05474	25.1
93.07041	70.5
95.04970	9.0
95.08606	23.9
97.06529	18.7
97.10192	1.7
99.08085	4.2
105.04501	1.3
105.07034	10.0
107.08590	33.1
109.06505	3.6
109.10139	5.5
111.08086	9.2
113.09665	1.9
117.07007	10.8
119.08592	4.5
121.10128	18.5
123.08031	1.9
123.11689	4.0
131.08569	13.2
133.10109	13.7
135.08046	2.3
135.11700	11.4
136.06134	1.3
147.11661	2.2
149.13255	38.7
151.11162	2.6
153.09151	1.4
159.11694	19.8
161.13176	1.8
177.12723	12.7
179.14259	2.1
195.13760	11.4
227.07065	1.6
269.17459	44.8
269.22031	1.7
285.35815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03929	4.4
53.74281	1.3
55.01853	3.7
55.05266	1.6
55.05507	23.3
55.07427	1.3
57.03434	41.8
57.07055	3.6
59.22289	1.2
65.03908	2.5
67.05501	80.0
69.03378	1.2
69.07065	31.4
71.01334	1.2
71.05006	7.2
71.08615	1.6
71.64433	2.0
76.93178	1.2
79.05490	50.5
81.03396	3.5
81.07053	100.0
83.04974	16.2
83.08153	1.3
83.08614	18.4
85.06525	5.0
91.05479	26.4
93.07038	74.5
95.04962	9.2
95.08598	28.1
97.06522	16.0
97.10165	3.0
99.08049	3.4
105.07024	11.4
107.04907	1.3
107.08589	41.7
109.06534	3.3
109.10157	6.0
111.08080	9.1
117.07024	12.2
119.08568	4.4
121.06490	2.6
121.07671	1.3
121.10140	23.0
123.11701	4.6
125.09632	1.8
129.07024	1.5
131.08560	14.2
133.10136	13.6
135.08061	2.3
135.11674	10.7
136.06157	2.7
139.07590	1.4
139.11110	1.9
143.08531	1.9
145.10074	3.0
147.11679	3.0
149.13252	40.3
151.11099	1.7
155.08522	1.5
157.10088	3.6
159.11700	18.1
171.11632	2.1
177.12737	7.9
183.11678	1.6
185.13248	1.6
195.13770	11.5
211.14977	1.4
213.12737	1.9
213.14641	1.7
252.33405	1.3
263.46600	1.4
269.11581	1.7
269.17429	46.7
269.22525	3.6
270.08701	2.1
281.35620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03939	4.1
55.01876	2.8
55.05505	24.3
57.03432	37.8
57.07063	5.3
62.00445	1.5
65.03933	4.3
66.88625	1.6
67.05502	85.0
69.03446	2.1
69.07061	31.1
70.35890	4.6
71.04990	7.9
71.65436	1.5
79.05487	46.2
81.03416	2.8
81.07053	100.0
83.04980	12.4
83.08617	17.4
85.06535	5.2
91.05477	30.4
93.07037	72.2
93.07623	3.9
94.07413	2.1
95.04987	8.5
95.08598	31.4
97.06516	15.5
97.10177	3.5
99.08075	4.1
101.02480	1.6
101.33240	1.5
105.07039	16.6
107.04938	2.4
107.08585	38.7
109.06493	4.2
109.10159	6.8
109.77499	1.4
111.08060	9.3
113.06007	2.1
117.06991	9.2
119.08592	6.7
121.10134	20.6
123.11726	3.2
125.93247	1.7
126.35135	1.6
128.06200	1.9
129.06975	2.2
131.08554	12.9
133.10088	10.9
135.08084	2.7
135.11702	10.8
136.06178	2.3
139.11172	3.2
144.99234	1.6
145.10168	2.7
147.11703	2.6
149.13255	37.3
149.14319	1.4
157.10172	3.1
159.11708	19.9
171.11639	2.5
173.73393	1.9
176.52797	1.8
177.12740	6.8
181.10124	3.3
183.11565	1.8
195.12155	2.2
195.13708	10.0
202.47702	1.8
211.14819	3.3
215.89578	1.8
235.13158	1.8
244.57722	1.8
251.17905	2.0
251.20117	2.5
269.17316	43.8
269.22693	3.9
270.17715	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	269.1746
Annotation	Plucheinol
Peak:m/z	Relative Intensity
53.03939	8.6
55.01856	7.9
55.05496	18.7
57.03422	9.5
57.07062	8.0
59.13141	4.1
60.04523	9.5
61.34114	4.4
62.99158	4.0
66.57553	4.0
67.05499	34.4
69.03410	8.2
69.07060	17.3
69.53957	34.9
70.06583	8.4
71.04980	17.3
71.08620	5.9
72.08154	25.2
75.04491	9.1
79.05481	38.6
81.03410	5.0
81.07057	60.2
83.04958	13.3
84.08134	29.1
85.06527	14.3
86.09687	10.2
87.05589	5.6
91.05475	37.7
93.07045	60.8
95.04981	27.6
95.06020	6.2
95.08613	48.4
96.64055	3.9
97.06507	13.8
98.97562	4.3
99.04458	12.5
105.07030	67.1
107.04941	15.6
107.08598	62.7
109.06487	26.1
109.10142	24.6
111.04440	8.8
111.08053	6.3
117.07023	21.7
119.04805	4.4
119.08572	58.9
120.08092	23.8
121.06493	10.7
121.08401	4.4
121.10151	30.0
123.08041	15.5
123.11680	5.6
125.05934	4.2
125.09615	8.9
129.06946	8.3
129.10204	10.3
130.08670	6.7
131.08572	45.4
133.10110	37.0
135.08093	10.8
135.11678	15.6
136.06093	5.1
137.06007	14.1
137.09544	7.5
142.07782	5.1
143.08562	8.1
144.09396	5.0
145.10120	49.1
147.08072	10.8
147.11688	40.5
149.09598	12.7
149.13203	6.1
151.11206	5.3
153.05634	5.3
155.08537	12.2
157.10155	31.5
159.07977	10.6
159.11589	41.6
161.09630	5.9
161.13240	12.8
163.11205	14.1
165.12720	10.2
167.08586	5.6
169.10083	5.4
171.11691	10.6
173.09625	15.7
173.13235	25.7
175.11183	49.6
177.12729	18.8
181.12271	4.7
182.10886	10.0
187.11188	7.2
187.14822	20.0
189.12788	11.5
191.14307	10.1
193.12283	34.8
197.13252	14.2
203.14296	12.9
205.06462	4.9
205.15833	11.6
215.14290	40.2
221.15250	4.9
223.07512	7.7
227.07137	6.9
233.15350	83.7
241.08632	5.3
251.07014	9.5
251.16429	100.0
269.07996	15.5
269.17447	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01872	3.1
55.05505	20.9
57.03436	32.7
57.07060	3.9
65.03944	2.7
67.05499	78.1
69.03419	1.1
69.06715	2.1
69.07063	25.8
71.04985	6.5
71.08603	2.0
71.65797	1.8
73.40957	1.1
77.03935	1.4
79.05487	40.6
81.03413	1.3
81.07049	100.0
82.07399	1.4
83.04979	9.6
83.08613	17.9
85.06528	4.8
91.05476	24.8
93.07037	67.8
94.07365	1.0
95.04942	7.6
95.08598	24.4
97.06527	16.2
97.10121	1.7
99.08093	3.1
105.07017	9.9
107.04939	1.5
107.08587	31.7
109.06518	3.6
109.10139	4.0
111.08080	8.2
113.21481	1.1
117.07015	10.8
119.08548	3.1
121.06501	1.7
121.10133	18.1
123.11703	4.0
129.07031	1.4
131.08545	12.7
133.10129	9.4
135.08081	1.4
135.11678	12.0
141.96919	1.1
147.11754	1.2
149.09570	1.7
149.13245	38.1
149.36189	1.1
151.11147	1.3
157.10220	1.7
159.11685	17.3
159.12968	1.6
166.07941	1.1
167.14371	1.7
174.11432	1.1
177.12708	9.2
181.10040	1.9
182.19618	1.2
183.11670	3.0
184.83072	1.1
195.12051	1.9
195.13788	12.5
227.06984	1.7
233.15213	1.2
269.08618	1.5
269.11618	1.2
269.14920	2.6
269.17493	38.8
270.08972	1.3
270.17865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	4.2
55.01872	2.8
55.05506	25.0
57.03177	2.4
57.03434	35.2
57.07076	3.4
57.76185	1.4
62.73258	1.3
65.03943	3.8
65.63380	1.3
66.05488	1.5
67.05501	81.4
68.05856	2.1
69.06707	2.3
69.07063	29.1
69.50982	5.3
69.51406	7.6
70.61794	1.4
71.04990	7.2
72.02333	1.3
73.02927	1.9
75.96774	1.3
79.05489	48.5
81.03416	4.0
81.07052	100.0
83.04975	12.0
83.08612	18.0
85.06532	5.9
91.05477	28.7
93.07036	69.8
95.04966	10.0
95.08596	26.2
97.06521	15.4
97.10136	3.2
99.08076	4.0
105.04427	1.3
105.07037	11.0
107.04929	2.0
107.07873	2.0
107.08588	36.8
109.06540	2.4
109.10155	4.7
111.08099	7.2
113.05951	1.4
117.07006	13.1
119.08558	2.8
120.80000	1.3
121.06535	2.4
121.10139	17.4
122.85797	1.4
123.11692	3.6
131.08562	12.5
133.10115	12.9
133.41733	1.4
135.08054	3.1
135.11682	14.6
139.11261	1.3
143.08545	2.5
145.10114	2.1
147.11662	2.9
149.09666	2.1
149.13252	43.6
151.11177	2.4
157.10109	2.9
158.34338	1.5
159.11690	26.3
177.12747	10.5
181.10063	1.9
183.11664	1.9
185.09706	1.8
187.95186	1.4
195.13805	11.9
223.07538	1.6
227.07001	2.8
256.19391	1.4
269.11667	1.6
269.17365	44.4
269.21939	1.8
270.08734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.23643	1.3
53.03937	3.9
55.01858	4.8
55.05503	22.0
57.03432	37.8
57.07056	4.4
65.03923	2.9
66.24258	1.3
67.05498	88.2
69.06709	2.4
69.07063	35.0
71.04979	5.7
71.61321	2.1
71.61644	1.3
79.05488	50.8
81.03400	3.4
81.07050	100.0
83.04967	12.6
83.08192	1.9
83.08621	19.0
85.06523	4.6
91.05475	25.3
93.07036	78.6
95.04948	8.2
95.08031	2.4
95.08597	28.1
97.06530	17.5
97.10159	2.2
98.05830	1.4
99.08070	3.9
105.04459	2.2
105.07037	9.6
107.08585	41.2
109.06523	3.7
109.10151	3.4
111.08051	10.5
115.05424	1.9
117.06991	13.8
119.08585	4.0
121.10124	20.3
123.08068	1.8
123.11662	4.6
131.08556	10.3
133.10130	13.6
135.11687	11.6
143.08594	1.3
147.11659	4.2
149.09578	1.4
149.13242	50.1
150.13556	1.5
151.11092	2.0
152.19714	1.3
157.10054	1.7
159.11671	23.7
177.12743	10.1
183.18385	1.5
195.13824	14.5
213.14639	1.8
224.70850	1.3
269.11694	2.9
269.17438	46.6
270.08798	1.5
270.17819	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	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.14939	1.8
53.03934	4.6
54.17200	1.4
55.01866	5.2
55.05504	21.9
57.03179	2.1
57.03434	30.8
57.07058	2.8
65.03916	2.4
67.05497	73.8
69.06707	2.2
69.07060	26.0
69.89694	5.7
69.90116	4.5
70.21733	1.4
71.04981	8.6
79.05483	48.2
81.03401	5.6
81.07049	100.0
81.52225	1.4
83.04979	11.5
83.08610	19.1
85.06517	5.4
88.12149	1.6
91.05476	26.8
93.07031	72.2
95.04946	7.7
95.08594	26.2
96.84158	1.4
97.06527	16.8
97.10131	1.4
99.04459	1.8
99.08079	6.5
105.07039	12.9
107.04955	3.2
107.08581	37.1
109.06491	3.7
109.10150	4.3
111.08089	10.1
111.11663	1.5
113.05975	1.8
117.06998	10.6
119.06109	1.6
119.08566	4.7
121.10123	21.7
123.11733	2.8
127.07600	2.1
129.07005	2.3
131.08540	12.5
133.10139	14.1
135.08008	3.2
135.11679	10.7
147.11649	2.8
149.13245	47.3
151.11195	2.2
157.10089	3.2
159.11678	26.2
167.14282	2.3
173.13367	1.7
177.12738	10.7
195.13765	11.8
227.06934	2.6
227.10695	1.9
251.14244	2.4
269.07959	1.7
269.11642	6.0
269.17508	46.3
269.22574	6.7
270.08475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03927	3.6
55.01844	4.1
55.05271	1.5
55.05508	20.7
57.03435	31.8
57.07047	4.1
65.03923	2.4
67.05502	75.6
69.03416	1.5
69.07066	30.1
69.73059	1.1
71.03480	2.7
71.03826	2.3
71.04988	8.1
71.08613	2.2
77.03886	1.5
79.05492	48.0
79.77352	1.3
81.03380	1.7
81.07052	100.0
83.04988	8.4
83.08616	20.6
85.06520	5.4
91.05478	26.2
93.07040	64.8
93.07637	2.5
95.04984	8.3
95.07989	1.3
95.08601	24.8
97.06528	18.4
97.10134	1.9
99.08061	3.4
105.04526	1.2
105.07030	12.5
107.08589	34.0
109.06477	5.2
109.10123	5.1
111.08086	10.2
111.11670	1.9
113.06010	1.4
113.09637	1.7
117.07010	12.9
119.08542	4.5
121.10135	20.3
123.08002	1.8
123.11658	3.3
129.07002	1.6
131.08571	15.4
133.10132	15.1
133.15213	1.1
135.08032	2.0
135.11678	11.1
137.26634	1.2
143.08545	1.5
145.10118	1.8
147.11722	1.7
149.09608	1.2
149.13258	45.6
151.11180	1.4
151.95883	1.2
153.09100	1.2
157.10106	2.2
159.11700	22.1
160.12025	1.3
161.13167	1.7
167.14281	1.4
177.12761	10.0
191.06966	1.7
195.11876	2.1
195.13817	13.4
213.14757	2.8
227.07010	2.5
241.08484	1.6
269.08203	3.3
269.11673	5.2
269.17419	50.4
269.22601	3.5
270.08755	3.2
270.17603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	100.0
66.78625	0.6
67.05505	0.9
69.03417	1.0
70.06562	1.4
71.04987	1.0
71.63825	1.2
71.95257	2.3
72.96024	2.0
73.02898	1.3
74.97596	0.8
80.70828	0.7
84.08136	2.8
84.96008	2.0
85.02886	2.0
86.09672	0.7
97.02902	1.6
97.96822	0.9
98.97577	4.5
104.41412	0.6
110.97558	1.4
116.98599	2.1
119.01898	1.6
121.62412	0.7
127.03909	0.9
128.98576	1.5
134.99680	1.3
136.06177	8.7
137.04570	1.7
139.00681	3.2
141.58473	0.7
146.99586	1.0
155.00140	3.7
157.01723	9.4
158.99561	1.3
161.01204	0.8
173.01204	9.3
175.02786	50.9
182.99614	4.6
191.02213	2.9
193.03844	33.2
198.04324	1.9
201.00691	12.9
201.04356	1.1
206.11714	2.4
211.04903	0.7
216.05421	1.0
216.28448	0.7
219.01765	18.6
222.12285	0.8
223.05688	0.6
224.02396	0.7
234.58150	0.8
237.02715	1.4
244.99669	12.9
245.03348	1.4
263.00702	48.2
264.00961	1.0
268.01160	1.4
268.07010	0.7
268.10437	2.8
268.16553	0.9
276.86365	0.7
281.01807	5.2
286.02307	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01871	0.3
56.96550	0.8
57.03418	0.6
61.30526	0.2
62.27626	0.2
62.64730	0.2
64.15319	0.2
69.03423	0.3
71.18939	0.3
73.02897	0.2
73.63689	0.2
84.08117	0.3
85.02882	0.7
94.04039	0.5
97.02852	0.3
98.97570	0.6
104.43542	0.2
119.03557	0.9
121.08427	0.3
136.06177	100.0
137.04575	0.6
137.06497	0.6
161.04657	0.2
201.00731	0.2
206.11786	0.8
250.14302	0.3
251.93115	0.2
268.10406	3.8
268.15701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50301	0.3
52.07774	0.3
54.03269	0.3
55.15725	0.3
63.21063	0.2
66.21301	0.2
71.09381	0.6
71.09724	0.4
81.03403	0.4
125.45509	0.3
129.62500	0.3
163.05193	0.3
165.06979	3.0
179.08537	1.8
180.09334	2.6
181.06458	0.5
189.06964	3.6
190.07759	14.3
191.08542	100.0
192.08885	2.6
194.07245	0.4
203.08427	0.5
205.06567	0.5
205.10114	2.5
207.08049	1.0
208.08829	7.0
217.06480	0.5
218.07280	2.4
219.08038	73.6
220.08774	10.7
223.11075	0.4
233.09526	0.8
235.07610	0.6
236.08315	16.7
237.08734	0.3
247.41431	0.3
251.10655	80.5
252.10962	1.5
268.10495	0.7
268.13324	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14939	1.8
53.03934	4.6
54.17200	1.4
55.01866	5.2
55.05504	21.9
57.03179	2.1
57.03434	30.8
57.07058	2.8
65.03916	2.4
67.05497	73.8
69.06707	2.2
69.07060	26.0
69.89694	5.7
69.90116	4.5
70.21733	1.4
71.04981	8.6
79.05483	48.2
81.03401	5.6
81.07049	100.0
81.52225	1.4
83.04979	11.5
83.08610	19.1
85.06517	5.4
88.12149	1.6
91.05476	26.8
93.07031	72.2
95.04946	7.7
95.08594	26.2
96.84158	1.4
97.06527	16.8
97.10131	1.4
99.04459	1.8
99.08079	6.5
105.07039	12.9
107.04955	3.2
107.08581	37.1
109.06491	3.7
109.10150	4.3
111.08089	10.1
111.11663	1.5
113.05975	1.8
117.06998	10.6
119.06109	1.6
119.08566	4.7
121.10123	21.7
123.11733	2.8
127.07600	2.1
129.07005	2.3
131.08540	12.5
133.10139	14.1
135.08008	3.2
135.11679	10.7
147.11649	2.8
149.13245	47.3
151.11195	2.2
157.10089	3.2
159.11678	26.2
167.14282	2.3
173.13367	1.7
177.12738	10.7
195.13765	11.8
227.06934	2.6
227.10695	1.9
251.14244	2.4
269.07959	1.7
269.11642	6.0
269.17508	46.3
269.22574	6.7
270.08475	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03934	4.6
55.01862	2.1
55.05511	6.1
56.63234	0.7
57.03434	18.0
67.05499	12.4
69.03421	1.6
69.07045	2.5
70.77616	2.7
71.04981	0.9
79.05483	11.2
81.03413	100.0
81.07053	12.1
83.04964	5.8
83.08616	14.0
85.06551	0.9
91.04960	1.2
91.05473	15.9
93.07047	7.0
95.04962	20.9
95.08578	4.3
97.02876	2.5
97.06500	1.8
97.10175	2.4
105.07020	11.4
107.04955	5.3
107.08567	2.9
108.97031	0.8
109.06519	2.3
109.10147	1.8
111.04408	1.4
111.08065	8.3
115.05452	1.5
117.07038	1.2
119.08575	10.1
121.06493	1.4
121.10093	5.7
123.08044	1.0
125.09608	1.1
129.06984	8.6
130.37679	0.8
131.08545	7.0
133.06470	1.5
133.10118	3.0
135.11665	0.8
136.06126	1.3
137.09584	1.3
142.07733	2.0
145.10127	0.8
147.08031	2.6
147.11688	6.4
149.09598	3.4
154.06010	0.8
157.10109	9.5
163.11133	0.9
165.12741	2.2
175.11176	10.8
192.90434	0.9
193.12221	17.3
211.13300	2.4
237.03981	1.6
249.14662	1.4
263.87460	0.8
267.08475	1.1
267.15906	40.9
268.16229	1.2
279.68130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	Armatin C
Peak:m/z	Relative Intensity
53.03933	2.2
55.05501	10.1
57.03424	1.9
59.05002	9.0
65.03928	1.4
67.05495	17.7
69.07052	7.9
70.31438	1.0
70.45478	3.6
71.04986	6.5
73.01342	1.0
77.03896	1.0
78.77431	1.0
79.05482	13.2
81.03397	4.4
81.07048	43.4
83.04967	3.9
83.08623	2.5
83.25870	0.9
85.06555	6.8
89.04743	1.1
91.05465	18.3
91.05997	2.0
93.07038	26.5
95.04966	28.3
95.08595	35.2
97.06528	8.3
97.10120	2.7
99.08070	1.9
105.07024	43.3
107.04976	2.5
107.08582	30.0
109.06499	13.1
109.10149	20.8
111.08078	6.5
115.05407	1.8
117.07011	14.4
119.08568	45.5
121.06503	8.5
121.10129	17.9
123.08076	6.0
123.11707	2.4
125.09580	5.0
127.07516	1.0
128.06178	2.6
129.06961	4.8
131.08551	12.8
133.10118	28.5
135.08015	6.5
135.11679	11.7
137.09583	2.4
139.07509	2.7
139.11156	1.7
142.07755	6.0
143.08557	14.0
144.09314	2.3
145.10078	8.3
147.08031	4.2
147.11676	14.6
149.09589	4.2
149.13245	5.8
153.09056	4.2
153.12712	3.7
156.09299	1.8
157.08923	1.7
157.10123	24.7
159.11674	83.3
160.12126	1.7
161.09607	8.9
161.13242	52.2
163.11180	3.5
169.10158	1.3
170.10922	1.2
171.11656	4.4
173.13225	3.2
175.11171	4.8
175.14825	17.6
177.12738	31.9
184.12529	1.5
189.12689	2.3
189.16362	26.6
191.14291	28.7
193.12195	1.2
193.15826	2.0
195.08054	1.1
199.14792	25.3
217.15854	43.5
227.85545	1.0
231.17448	3.2
235.16898	26.2
249.18494	22.1
267.13693	4.3
267.19528	100.0
268.19904	2.8
277.11194	1.1
280.73779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60796	0.8
53.03932	2.5
55.01859	1.2
55.05511	7.0
57.03441	8.6
57.03712	1.2
57.07041	1.1
61.79107	0.7
67.05504	11.0
69.03410	1.3
69.07072	4.0
69.71920	5.5
71.04989	1.1
79.05057	1.0
79.05486	10.7
79.30489	0.8
81.03419	45.2
81.07057	17.9
83.04978	2.3
83.08620	10.0
91.05483	13.6
93.07049	12.1
95.04967	9.3
95.08610	11.1
97.02876	1.0
97.10172	1.5
105.07032	18.9
107.04953	1.9
107.08595	9.4
109.06506	2.8
109.10149	6.2
111.04443	1.1
111.08078	3.2
113.52287	0.7
115.05484	1.8
117.07024	3.6
119.08585	15.5
119.09351	0.6
121.06481	1.0
121.10126	8.7
123.11699	2.1
128.06230	2.6
129.07001	14.8
130.07774	1.1
131.08571	8.7
133.06487	1.4
133.10152	6.6
135.11708	2.4
136.06194	5.4
137.09627	0.9
141.06972	4.9
142.07759	3.7
143.08551	12.6
144.09346	0.9
145.10123	14.3
147.08057	1.0
147.11673	6.7
149.09583	1.6
149.13321	0.9
153.06966	1.3
154.07724	1.2
155.08568	9.7
156.09334	1.9
157.10141	17.1
159.11691	12.6
161.13255	1.8
165.12796	1.1
167.08548	2.8
168.09305	1.3
169.10126	13.5
171.11682	8.0
173.13264	6.2
175.11194	4.9
181.10129	3.2
182.10901	2.7
183.11705	9.7
185.13252	18.8
185.14856	1.3
187.14873	1.6
187.24284	0.7
193.12218	7.8
195.11545	1.4
196.12497	4.0
197.13280	13.7
198.13808	0.9
199.14861	6.1
209.13226	2.1
211.14841	35.1
212.15439	1.5
221.04341	0.9
223.14784	1.1
225.16399	7.5
237.03928	2.7
237.16402	1.1
239.17839	2.1
252.18753	1.9
267.08640	3.2
267.16183	15.9
267.21075	100.0
268.21280	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03938	7.1
55.01856	7.7
55.05508	27.0
57.03434	48.8
65.03920	5.2
67.05500	53.3
69.03410	8.2
69.07061	21.3
70.78671	3.0
70.79021	9.9
71.04973	6.5
79.05487	60.9
81.03416	100.0
81.07058	54.6
81.63816	2.4
83.04989	36.3
83.08611	16.0
85.06538	6.0
86.60913	2.9
91.05481	79.8
93.07039	42.6
95.04977	40.4
95.08608	24.9
97.02866	8.1
97.06499	7.6
97.10157	4.0
105.07029	53.3
107.04959	13.4
107.08585	11.9
109.06496	12.1
109.10138	7.8
111.04424	3.2
111.08088	6.7
113.55278	2.6
115.05462	7.1
117.07000	7.1
117.97750	2.4
119.08575	38.1
120.04482	7.4
121.06496	6.5
121.10107	15.6
123.08052	9.0
128.06155	3.5
129.06996	23.1
131.08580	23.9
133.06482	6.4
133.10112	34.1
135.11659	5.2
142.07765	7.5
143.08514	5.8
145.10114	6.5
147.08034	12.2
147.11674	20.5
149.09592	7.0
157.10127	25.5
159.11697	10.4
161.13239	7.3
163.11067	3.1
165.12761	4.3
169.06470	3.2
175.11211	18.8
177.12746	3.5
178.07907	3.6
181.06512	3.1
183.11786	3.5
185.13351	6.2
189.07014	2.9
191.08478	3.2
193.12222	23.4
195.08069	4.1
203.14189	4.2
207.08163	2.9
211.11252	6.6
211.13095	3.8
219.13759	3.9
221.09616	9.0
223.07643	2.8
224.08220	4.0
225.09187	2.9
231.13762	8.7
237.03926	3.7
238.09908	8.1
249.09258	3.4
249.14893	9.3
250.09453	6.0
267.06232	2.8
267.08389	4.1
267.10370	8.2
267.13684	20.3
267.16113	52.3
267.20746	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03939	4.3
55.01871	1.5
55.05508	8.0
57.03434	19.6
67.05502	11.6
69.03424	2.0
69.07073	2.0
69.45251	2.9
69.45682	3.0
70.53868	0.6
71.04991	1.1
74.01093	0.6
74.53140	0.7
79.05488	10.9
81.03414	100.0
81.07048	11.8
82.03742	0.9
83.04982	4.1
83.08611	12.2
91.05473	16.4
93.07039	6.6
95.04965	19.7
95.08601	4.0
97.02893	2.4
97.06520	1.2
97.10175	1.6
105.07029	14.5
107.04951	6.1
107.08600	2.7
109.06525	2.8
109.10181	1.2
111.04453	1.4
111.08054	4.9
115.05470	1.0
117.07011	1.2
119.08575	12.5
121.06512	2.5
121.10140	4.7
123.08062	1.5
123.11700	0.7
128.06175	1.0
129.07002	8.4
131.08548	7.3
133.06480	2.0
133.10118	3.6
136.06148	0.7
137.09561	1.4
142.07777	2.5
145.10068	1.0
147.08052	2.1
147.11699	6.1
149.09634	2.8
157.10107	9.3
163.11212	0.8
165.12730	1.9
175.11188	7.4
188.97943	0.6
193.12221	15.1
206.90080	0.6
211.13251	2.2
237.03943	1.7
267.08597	2.5
267.15897	32.8
267.20596	1.4
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	Alliacolide
Peak:m/z	Relative Intensity
52.01505	1.8
53.03943	2.7
54.61866	1.6
55.05508	6.7
57.03437	19.1
67.05496	14.0
69.44979	2.9
69.45384	16.2
79.05487	14.8
81.03417	100.0
81.07048	12.4
83.04987	6.4
83.08616	15.6
90.78928	2.4
91.05467	13.6
93.07040	9.9
95.04958	21.1
95.08625	5.2
97.10203	3.1
105.07015	11.8
107.04951	5.1
107.08619	2.9
109.06552	4.3
109.10136	2.5
111.04430	2.4
111.08090	7.3
119.08601	14.2
121.10143	4.4
129.07037	7.2
131.08589	7.5
133.06543	2.6
133.10097	4.7
136.06200	2.0
141.46259	1.8
147.08075	3.8
147.11708	5.3
149.09633	4.9
155.62048	2.1
157.10150	9.9
165.12830	2.4
175.11163	11.4
193.12273	19.9
211.13234	3.7
241.95766	1.9
267.15918	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03923	4.0
55.01856	2.5
55.05496	8.3
57.03432	18.4
61.37988	2.0
67.05493	10.9
67.37228	2.0
68.71617	2.0
69.03423	3.2
69.54029	3.9
69.54443	15.6
70.51928	1.9
73.11943	2.0
79.05476	12.3
81.03413	100.0
81.07046	12.7
83.04964	6.8
83.08223	1.7
83.08614	16.2
91.05473	18.5
93.07025	7.5
95.04963	19.9
95.08585	5.5
97.02912	2.0
97.06551	2.2
98.36972	1.8
102.41956	1.9
105.07005	12.4
107.04923	2.5
107.08555	2.0
109.06532	2.6
111.08037	5.5
119.08563	14.3
120.00327	1.9
129.06972	9.4
131.08554	7.2
133.06544	4.4
133.10129	3.1
136.06105	2.5
147.08084	2.2
147.11658	6.8
149.09584	3.2
157.10115	10.1
165.12801	2.6
172.92235	2.1
175.11189	9.4
193.12241	20.1
256.81754	2.0
267.15887	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	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28539	0.9
51.32877	0.9
53.03938	1.8
55.01865	2.1
55.05501	2.5
57.03447	7.1
61.25793	0.8
67.05495	4.9
69.07055	1.7
69.49581	0.8
69.72491	5.9
71.04992	1.3
74.06036	1.0
79.05482	7.1
81.03417	19.7
81.07047	5.3
83.04984	1.7
83.08624	3.2
84.08118	1.1
90.04681	0.9
91.05470	7.1
92.26948	0.8
93.07037	4.1
95.04980	7.0
95.08596	2.6
97.02931	1.0
97.06538	3.2
98.75454	0.8
99.04420	1.1
103.05434	4.9
104.06270	0.8
105.03416	0.9
105.07021	24.2
107.04986	1.9
107.08587	2.7
109.06495	2.3
109.10134	1.4
111.08111	2.1
115.05432	4.2
117.07019	1.8
118.04158	7.1
119.04971	1.2
119.08576	5.1
121.06495	1.5
121.10156	2.0
123.08080	1.5
125.05954	0.8
128.06163	1.8
129.07002	3.3
131.04918	5.5
131.08595	2.3
132.05690	7.4
133.05489	0.9
133.06485	17.5
133.10129	2.3
135.04399	3.9
135.08067	1.7
136.06181	2.7
137.05977	1.8
137.09621	1.2
141.07028	1.0
142.07822	1.0
143.06024	1.6
143.08597	1.4
145.06537	1.3
145.10062	1.4
146.03627	35.1
147.07973	1.4
147.11685	3.0
148.05190	1.9
149.05954	2.0
149.09628	1.6
152.05655	10.1
153.04112	1.5
153.05437	1.0
153.07048	1.0
157.10136	3.3
158.07254	1.3
159.11682	1.1
160.05222	3.9
161.05978	31.9
161.09645	1.5
163.03911	8.6
163.07570	2.6
165.06963	5.8
165.09166	1.0
167.07098	1.2
167.08528	0.9
169.06941	1.4
173.09592	1.3
175.11208	2.9
177.05510	1.7
178.06255	100.0
178.07735	8.4
179.06761	2.5
179.08560	10.8
181.06482	2.9
183.08150	0.9
184.43842	0.9
189.07004	3.9
189.08989	1.1
190.06233	4.1
190.07726	1.9
191.07037	9.5
191.08546	1.8
192.05638	0.9
192.07880	3.3
193.05005	1.8
193.06577	3.9
193.08575	38.5
193.12311	2.8
194.07315	1.7
195.07933	1.9
203.10663	1.6
205.06462	1.7
205.08438	1.0
206.07220	4.1
207.06346	0.9
207.08086	11.2
208.08812	1.9
209.05977	1.8
210.06746	1.6
211.07692	1.7
211.09680	2.2
211.13377	1.0
217.06435	1.8
218.07182	1.5
219.10214	1.1
221.05959	3.6
221.09744	4.6
224.08395	5.6
225.09097	1.6
231.10167	1.3
231.13832	1.3
234.06700	3.5
235.07539	13.4
236.08253	1.9
237.03970	3.5
237.09119	2.2
239.07133	7.1
239.09433	1.4
239.10300	2.0
249.05347	1.2
249.09094	3.5
249.11293	1.2
249.14844	1.5
252.07628	4.9
253.08600	3.2
267.06381	3.9
267.10007	29.5
267.15918	9.3
268.07278	1.3
268.10889	6.2
268.13956	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	267.0862
Annotation	Luisol B
Peak:m/z	Relative Intensity
51.74255	0.2
57.03433	0.3
65.03949	0.3
69.07045	0.3
70.56979	0.8
78.04710	0.3
79.05467	0.7
81.03387	1.2
81.07041	0.3
83.04980	0.3
91.05473	0.8
93.03384	0.6
95.01323	0.3
95.04955	1.1
103.05479	0.4
104.06226	0.5
105.03365	0.3
105.07034	0.6
107.04936	1.1
110.03680	0.4
118.04218	0.3
119.04960	0.5
119.08595	0.5
120.02047	0.4
120.05675	0.3
121.02854	0.8
121.06490	0.6
121.10116	0.3
123.00794	0.7
125.05984	0.6
129.07007	0.3
131.04904	1.5
132.05690	1.0
133.02835	0.6
133.06500	0.5
135.04424	1.6
135.17505	0.2
136.05124	0.3
137.02342	0.3
137.05972	0.5
138.03101	0.5
145.02858	0.3
145.75693	0.2
147.04376	1.1
147.05450	0.3
148.05202	0.4
149.02342	2.0
149.05968	0.7
151.03851	0.5
153.05486	2.0
159.04390	1.3
160.05167	2.7
161.02332	0.4
161.05988	0.5
162.03156	0.4
163.03885	2.9
165.01836	0.8
166.02589	1.6
173.02296	0.7
175.03912	2.1
176.04726	0.7
177.01778	0.6
177.05478	0.9
179.03377	0.9
181.04955	1.7
187.03903	1.0
188.04692	2.9
189.05469	1.0
191.03386	10.4
192.04089	0.4
193.01283	0.6
193.04976	1.7
194.02092	10.3
203.03516	1.4
205.04958	4.3
206.05780	2.0
207.02867	1.7
207.06589	0.4
208.03636	2.1
208.07268	0.6
209.00816	9.2
209.04356	4.1
216.04170	1.9
217.01286	0.9
219.02879	17.8
220.03261	0.6
221.04434	6.7
222.01581	9.5
223.06007	7.6
233.04425	1.0
234.05141	0.9
235.02379	1.0
237.03923	55.9
238.04204	0.8
251.05458	2.3
252.06285	13.3
253.06671	0.3
267.08615	100.0
268.09055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44283	0.2
55.05500	0.3
55.39251	0.2
59.04987	0.7
61.02917	1.3
61.38255	0.2
69.03430	0.2
71.04984	1.9
71.09770	0.7
79.05456	0.8
81.03438	0.2
81.07053	3.3
94.04052	1.2
95.04936	0.2
105.06995	0.3
106.07354	0.2
111.04422	0.2
113.09606	0.3
119.03535	2.2
119.08599	0.4
120.08895	0.2
128.94353	0.2
132.09087	0.2
136.06174	100.0
137.04599	2.0
137.06602	0.3
146.10405	0.2
150.07759	0.5
160.11995	0.3
194.08914	0.3
230.12665	0.3
233.06004	0.2
234.13477	19.8
251.06847	0.4
256.84198	0.2
266.16113	45.9
267.16299	0.7
273.41946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56046	2.6
53.46441	2.6
55.01858	3.7
55.05502	6.8
57.03420	4.5
67.05490	8.2
71.04992	3.4
71.44955	5.5
79.05494	6.4
81.03398	10.6
81.07040	8.0
85.06528	11.5
91.05493	19.7
93.07039	11.2
95.04956	6.2
95.08590	11.2
105.07021	28.8
107.04878	3.5
107.08633	4.1
109.10167	3.1
115.05412	3.5
117.07008	16.8
119.08578	29.8
121.06496	6.9
128.06206	5.5
129.07002	21.4
130.07776	6.9
131.08562	12.1
133.10127	6.8
137.05940	3.6
141.07007	3.1
142.07787	3.9
143.08557	23.1
145.10114	59.6
147.08026	11.8
147.11661	4.6
155.08490	6.0
156.09361	3.0
157.10144	15.4
159.11707	15.9
161.09627	35.0
165.06915	2.9
171.11725	4.4
173.09636	16.4
175.07545	30.0
185.09682	3.2
185.13261	100.0
189.12723	25.7
191.03358	4.3
191.10667	16.1
194.02110	3.8
195.11719	15.8
203.14267	14.6
209.00815	3.7
213.12747	16.9
219.02888	7.4
222.01532	2.9
231.13803	51.1
237.03981	24.7
237.55688	3.2
249.09090	10.1
249.14819	11.1
252.06281	4.1
266.12329	8.7
267.08563	40.0
267.13315	2.9
267.16083	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	266.1248
Annotation	(-)-Aristeromycin
Peak:m/z	Relative Intensity
55.01856	0.5
55.05509	0.5
57.03440	1.1
59.05016	0.6
67.05513	2.1
69.03432	1.2
69.07089	0.4
70.06596	1.5
71.04995	0.9
71.63763	0.8
72.08168	1.1
79.05505	0.7
81.03418	1.2
81.07056	1.0
84.08150	0.7
85.06537	1.1
86.09715	1.1
91.05490	0.9
93.07035	1.0
94.04047	1.6
94.06576	1.1
95.04978	1.7
95.08600	0.9
96.08937	0.6
97.02888	1.1
105.07023	1.2
106.07337	0.5
107.08642	0.7
109.06562	0.8
111.05578	0.9
112.05124	0.5
116.90231	0.5
119.03539	4.5
119.08580	1.2
120.05599	0.9
120.08120	0.6
120.08932	0.6
121.06484	0.6
122.06022	1.2
123.06798	1.6
123.08051	0.7
124.08392	1.1
124.95610	0.5
127.02507	0.5
131.08582	0.7
135.06653	1.1
136.06184	91.2
137.04616	3.4
138.05501	5.1
145.05098	2.3
146.10387	0.7
150.05510	3.0
150.07732	1.4
151.06273	2.2
151.07439	0.7
152.05716	0.8
152.06927	0.5
155.20036	0.5
160.08501	0.5
160.12007	0.8
162.07744	100.0
163.06140	0.6
163.08083	1.5
165.06970	0.6
165.09128	0.6
166.07364	0.7
167.08263	0.7
168.06558	13.2
169.07385	0.9
174.10004	0.5
176.47791	0.5
177.06850	0.8
181.10005	0.5
188.11406	0.6
190.07242	0.8
191.08253	1.5
192.08911	2.9
194.08936	1.1
195.07661	1.6
196.08539	0.7
205.06494	2.2
206.06641	0.9
207.08040	0.8
210.09998	0.8
220.08357	2.1
220.13470	0.8
222.06430	0.9
223.07385	7.1
224.08148	1.4
230.11966	0.5
235.07460	0.8
236.07785	1.0
237.03854	0.5
238.09441	3.0
239.06825	0.5
248.11359	33.9
249.11385	0.9
251.07019	7.6
252.07343	0.6
261.06400	0.5
264.10886	1.7
266.09149	19.4
266.12436	25.2
267.06290	0.8
267.09830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.69737	8.8
50.81985	8.8
54.45514	9.1
55.05507	21.8
57.07059	11.2
64.60567	10.1
65.32451	9.8
67.05514	51.7
69.07063	40.2
71.04980	9.7
71.63680	10.7
71.64143	15.6
74.95157	9.9
79.05478	38.3
81.03378	11.6
81.07066	58.7
83.08611	20.2
85.06550	20.1
91.05505	20.9
93.07018	49.8
94.42097	9.1
95.08607	100.0
97.06557	10.5
97.10179	20.7
101.44611	9.2
105.07015	22.7
107.04903	15.9
107.08574	37.5
109.10153	74.3
119.08601	19.2
121.10138	20.3
123.11703	14.4
131.38803	9.0
135.11676	45.3
142.07756	12.5
143.08563	13.9
145.10161	15.4
149.13257	48.8
157.10088	12.6
163.14796	20.3
165.07010	11.9
171.11665	10.1
193.10274	15.4
195.11731	12.0
197.13205	10.8
201.12808	11.8
205.19482	44.7
209.13217	29.9
223.14906	14.6
229.11996	11.7
235.07712	14.1
247.24088	11.9
265.08667	12.5
265.19604	76.6
265.25320	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35405	0.1
58.75122	0.1
64.12399	0.1
70.74619	0.3
81.07071	0.1
82.99464	0.1
82.99921	0.2
98.97636	0.1
101.00870	1.8
112.98877	0.1
116.98686	0.1
118.03504	0.1
119.01916	11.9
120.02000	0.3
121.01614	0.1
122.97800	0.2
123.98685	0.1
134.99875	0.9
137.02948	4.6
138.03073	0.1
139.40466	0.1
140.98869	0.3
142.03522	0.5
153.00938	0.6
158.99876	1.1
159.01093	0.1
160.04570	0.2
165.98384	0.1
165.99713	0.2
175.03003	0.2
176.02664	0.1
177.00948	25.4
178.01044	1.0
179.00746	0.2
182.99738	0.5
191.17946	0.1
193.04082	0.6
195.02013	0.6
200.02568	0.9
201.00887	1.4
201.02574	0.2
202.01041	0.1
217.01978	0.2
217.04083	3.4
218.03763	0.2
219.02000	27.6
219.94615	0.2
220.02110	1.6
221.01846	0.5
224.00075	0.1
225.00835	2.4
227.99585	0.1
234.00626	0.2
237.03046	0.1
242.01186	0.1
242.03563	1.1
243.01959	8.2
244.02161	0.3
246.03984	0.1
260.04675	0.3
261.03052	100.0
262.03168	3.6
262.59564	0.1
263.03455	0.4
266.03534	0.9
275.04663	0.2
284.04672	7.7
285.04684	0.4
289.06085	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
53.03938	2.1
54.23746	1.8
55.01865	2.4
55.05516	4.4
56.96572	1.9
65.03939	2.0
67.05509	9.9
69.03420	8.4
69.07062	2.4
69.12263	2.1
70.26376	1.6
72.08160	2.7
79.05501	14.3
81.03406	2.8
81.07038	10.5
83.04962	4.8
85.02916	2.4
91.05471	17.9
93.07055	14.3
95.04961	27.1
95.08596	7.7
97.02897	3.5
97.06532	7.2
98.20702	4.1
103.05445	2.2
105.07027	46.4
107.04964	4.6
107.08609	11.7
109.02875	2.5
109.06484	9.1
109.10159	2.5
111.04431	52.6
115.05457	5.2
116.06186	1.8
117.07033	13.8
119.08577	29.0
121.06469	10.0
121.10082	2.2
122.07133	2.5
123.08057	4.1
128.06195	4.1
129.07030	7.3
130.07777	5.7
131.08557	25.1
133.06496	23.5
133.10127	8.7
135.04401	3.3
135.08054	6.6
135.11694	2.6
137.05963	3.1
137.09628	3.7
141.06976	6.7
142.07742	3.1
143.08560	7.9
144.05643	2.3
144.09294	4.6
145.06482	15.3
145.10130	22.8
146.07224	2.5
147.08037	38.4
147.11674	3.6
149.05972	6.8
149.09615	5.4
151.07466	2.2
153.06979	2.0
155.08549	4.6
155.10649	7.6
157.06511	3.2
157.10121	7.1
158.07307	11.6
159.08051	26.8
159.11688	23.3
161.05998	2.5
161.09622	9.3
163.03922	6.6
163.07545	6.0
163.11172	2.1
165.06972	3.1
166.07741	2.1
167.07007	4.5
168.09331	2.5
169.10083	3.0
171.08041	3.5
171.11638	2.7
172.08882	12.9
173.05988	6.9
173.09663	7.6
173.13277	5.2
175.07545	36.9
175.11069	4.7
177.06984	3.3
177.12782	3.0
178.07759	3.5
179.08534	9.8
183.11670	8.4
185.13277	2.8
187.07512	2.8
187.11139	18.6
189.07124	3.7
189.09122	14.1
190.07755	6.4
191.07036	3.5
191.08580	11.6
191.10559	2.9
193.08589	52.2
193.10248	4.5
194.07210	2.4
195.08008	2.0
196.08806	3.7
201.09076	2.4
201.12694	10.2
203.08537	5.9
203.10432	2.0
204.09341	2.5
205.06561	5.3
205.08585	4.9
205.12170	2.2
207.08089	11.9
207.09988	3.9
211.11252	11.7
217.06541	4.1
217.08603	4.1
218.07333	7.8
219.08075	15.4
219.09973	3.2
219.13826	4.1
221.06097	4.9
221.09578	4.4
222.06738	4.5
229.12250	11.6
233.09595	4.9
234.10382	31.9
234.12648	2.1
235.07516	37.3
236.08238	5.1
237.09149	5.2
247.09654	3.5
247.13309	15.9
249.09296	4.1
250.06255	2.0
250.07249	2.8
250.09895	36.6
265.08572	14.5
265.12137	52.0
265.14407	100.0
266.12146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39101	1.0
53.03944	1.5
55.01875	1.4
55.05515	3.4
57.51544	1.3
67.05495	5.6
69.03436	2.2
69.07070	3.4
70.17432	5.2
74.00034	1.0
79.05489	6.5
81.07051	18.8
83.04996	1.4
87.04467	3.4
91.05463	7.4
93.07046	11.9
95.04956	2.8
95.08604	7.4
97.06498	2.0
105.07027	25.6
107.04957	2.5
107.08596	10.0
109.06512	2.7
109.10137	4.2
115.05442	2.8
117.07030	9.2
118.07838	1.3
119.08583	12.1
121.06493	3.8
121.10139	5.0
123.08040	1.2
123.11676	1.8
128.06223	4.6
129.07005	5.4
130.07845	1.4
131.08559	18.5
133.06514	1.8
133.10083	6.4
135.00516	1.1
135.11674	2.5
141.06995	3.1
142.07773	4.2
143.08542	12.5
144.09320	2.8
145.06483	3.8
145.10114	15.5
147.08064	2.4
147.11687	4.2
149.05965	2.7
149.09590	1.4
149.13283	2.4
153.07036	1.8
154.07820	1.4
155.08582	7.4
157.10100	9.0
159.08055	6.7
159.11681	31.7
160.12431	3.6
161.05887	1.2
161.09660	2.2
161.13237	10.0
163.07507	1.4
163.11201	1.4
163.14743	1.0
165.07050	1.7
165.09171	1.2
168.09319	6.1
169.06517	1.3
171.08070	1.1
171.11717	4.1
173.05937	2.3
173.13260	9.7
175.11229	2.0
177.12769	2.3
178.07755	5.8
179.08546	20.9
183.11691	19.6
185.13304	4.0
187.07559	4.2
187.11147	2.3
189.07016	8.1
189.08850	1.7
189.20638	1.1
190.07770	6.9
191.08548	24.6
191.14397	1.4
192.09125	1.7
193.06517	2.7
193.10120	3.4
201.09053	2.3
201.12769	17.4
202.07777	3.8
203.08548	14.6
204.09225	1.9
205.06551	2.8
205.08449	2.2
205.10236	5.8
207.08054	18.3
211.11177	2.9
214.09839	1.7
215.08678	1.4
217.06502	6.2
218.07301	11.2
219.08078	26.4
219.10129	2.3
219.13785	22.5
220.08684	2.1
221.06076	9.3
221.09622	9.9
222.06786	3.8
222.10318	4.3
229.12228	22.0
231.08105	1.9
233.09631	9.1
234.10385	56.2
235.07527	70.0
236.08183	11.2
237.09154	2.8
247.13301	11.7
249.09126	18.1
250.09883	69.9
251.10272	1.6
265.12231	100.0
265.14474	47.9
266.12613	3.2
274.17395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03939	5.0
53.14160	3.2
54.23684	3.5
55.05505	14.4
57.03433	3.2
62.98733	3.5
63.30709	3.5
64.38490	3.3
64.39758	3.3
65.03933	14.2
67.05511	35.6
69.03424	42.7
69.07070	8.6
70.38755	15.6
71.04995	7.1
79.05494	26.4
81.07042	21.5
83.04977	8.6
91.05479	59.1
93.03417	9.6
93.07048	55.8
95.04963	52.2
95.08614	25.7
97.02877	7.1
97.06556	9.4
99.04478	7.3
103.05485	9.1
105.07047	77.5
107.04986	4.8
107.08598	30.0
109.02885	4.4
109.06524	40.2
109.10168	5.2
111.04439	33.8
111.08084	15.3
113.06035	19.8
115.05455	5.2
116.06230	7.1
117.07027	24.6
119.08586	100.0
120.08129	33.7
121.02872	16.3
121.06509	46.2
121.10159	17.1
123.08078	36.1
124.01173	4.5
125.05998	4.5
128.06198	10.6
129.07045	19.5
130.07791	6.7
131.08569	67.0
133.06517	10.3
133.10138	23.5
135.08057	99.0
137.09663	19.1
139.03896	13.3
139.07544	10.9
141.06978	9.8
142.07785	14.8
143.08580	20.5
144.05641	4.3
144.09315	12.4
145.06445	17.9
145.10115	37.7
146.07224	5.9
147.08035	48.4
147.11649	19.4
149.05960	6.8
149.09618	10.5
151.07521	7.3
152.05658	6.7
153.09119	4.8
155.08536	10.0
156.09346	8.6
157.06546	5.3
157.09021	4.9
157.10094	26.9
158.07288	27.1
158.10931	6.2
159.08069	45.3
159.11685	47.2
160.08899	5.1
161.09613	50.6
161.13304	6.7
165.09125	37.9
168.09332	12.9
169.10130	7.3
171.08092	8.9
171.11690	10.5
172.08838	23.9
173.09569	24.8
173.13219	25.3
175.07555	85.9
175.11188	42.9
177.09119	3.9
181.10161	5.1
183.11707	14.4
185.09709	7.1
186.10373	7.6
187.11177	50.4
187.12642	5.8
189.09093	16.1
189.12773	16.2
193.08632	25.6
193.10150	6.6
196.08832	8.8
199.11198	13.0
201.12756	44.6
203.10667	56.6
205.12294	8.2
207.10210	4.0
211.11162	21.6
217.12224	37.6
219.13803	8.5
229.12225	24.7
235.13229	7.5
247.13290	51.6
251.85672	3.5
265.14392	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	265.1431
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03937	3.5
55.01869	2.8
55.05502	8.9
65.03942	2.7
67.05502	19.4
69.03416	3.0
69.07066	5.5
71.04983	6.1
71.22488	3.6
71.22829	2.2
79.05490	20.2
81.07052	53.5
83.04969	2.0
85.06524	4.1
88.43925	1.9
91.05469	29.8
93.03346	3.6
93.07047	31.9
95.04974	10.2
95.08606	20.1
97.06529	12.8
99.04456	13.2
103.05393	3.1
104.53568	2.1
104.78650	1.9
105.07021	42.5
105.07674	4.3
107.04932	3.7
107.08585	29.4
109.02853	3.6
109.06511	10.6
109.10143	8.7
111.04467	2.3
111.08084	3.5
115.05447	5.1
117.07021	19.5
119.04960	3.2
119.08581	23.9
121.06496	9.5
121.10098	5.6
123.04436	4.1
123.08046	7.9
125.05959	2.8
128.06192	14.5
129.06998	13.3
130.07770	4.8
131.08569	40.9
133.06468	3.4
133.10115	21.1
135.04379	2.7
135.08046	6.0
135.11690	7.2
137.05919	2.4
137.09598	3.6
139.07553	3.2
141.06990	6.7
142.07765	9.0
143.08545	44.3
144.09299	4.4
145.06470	11.4
145.10100	30.5
147.08034	9.2
147.11655	17.2
149.05968	7.1
149.09627	3.7
151.07542	2.7
153.07004	5.6
154.07726	2.7
155.08540	16.7
157.10121	18.3
158.10802	3.5
159.08041	19.9
159.11711	22.0
161.09607	8.2
163.07535	3.8
167.08568	3.1
168.09341	20.0
169.10086	5.0
171.08012	13.0
171.11639	3.7
172.08795	3.2
173.05998	7.8
173.09605	6.2
173.13249	33.4
175.07542	4.2
175.11133	5.8
177.09143	5.9
183.11694	50.7
185.09583	3.9
185.13187	4.7
187.07587	15.5
187.11192	13.0
189.09056	23.1
191.14322	2.1
193.10165	3.5
201.12730	65.6
203.10606	4.0
205.12207	4.9
207.07813	2.0
207.09918	2.4
211.11162	17.2
219.13783	29.6
229.12218	100.0
230.12469	2.1
247.13298	43.2
265.14331	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	265.1434
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03941	4.1
55.01857	6.1
55.05499	14.0
56.96553	5.2
57.03415	6.2
60.36718	3.3
67.05511	19.1
69.03408	5.8
69.07042	15.7
71.04981	25.4
71.64247	7.6
79.05499	18.2
79.67767	4.0
81.03394	7.1
81.07059	45.6
82.04978	3.5
83.05003	5.9
85.06538	6.7
89.38942	3.8
90.43710	5.1
91.05484	36.6
92.05791	3.7
93.03369	4.3
93.07034	32.6
94.37396	3.4
95.04937	13.3
95.08608	22.7
97.06508	9.7
97.10198	6.6
97.82798	3.7
99.04453	94.3
100.67733	4.6
103.05485	9.3
105.07035	46.4
107.05017	6.3
107.08588	27.6
108.39989	4.7
109.06521	14.9
109.10135	12.9
115.05457	10.5
117.07008	34.4
119.08555	21.1
121.06490	9.7
121.10144	9.7
122.07104	10.9
123.11756	6.1
128.06189	28.7
129.06987	18.0
130.07782	4.2
131.04866	5.8
131.08575	43.6
132.05661	4.9
133.06464	6.6
133.10124	18.5
135.08041	7.1
135.11665	8.8
141.06967	9.8
141.99979	4.2
142.07785	10.4
143.08554	81.0
144.05756	4.7
144.09331	5.4
145.06468	22.3
145.10138	23.9
147.08049	8.6
147.11609	10.7
149.05969	7.0
149.13353	4.2
153.06973	12.1
155.08543	14.0
157.10132	22.5
159.08081	21.6
159.11705	33.4
161.06000	5.6
161.09622	15.6
163.03844	4.4
163.07515	9.7
165.07014	6.1
166.07709	4.8
167.07045	7.0
167.08501	4.1
168.09296	13.7
169.10103	9.2
171.08040	12.9
173.05963	13.1
173.09665	5.9
173.13235	16.5
175.07544	7.9
175.11137	10.8
177.06931	4.7
177.09055	5.1
178.07802	12.5
179.08482	13.9
181.10136	4.4
183.11653	43.1
185.09573	6.7
187.07559	7.5
187.11102	23.2
189.07214	7.2
189.09090	29.6
190.07738	11.2
191.06966	8.8
191.08556	39.3
193.10179	4.5
194.07248	4.6
201.12755	55.3
202.07768	9.2
202.13344	4.6
203.08620	10.2
203.10661	18.6
204.05806	5.1
205.06519	10.3
205.08588	16.9
205.12297	6.3
207.08026	16.3
207.10042	6.3
211.11168	17.7
217.06522	4.7
217.12212	5.9
218.07190	13.6
219.06616	3.3
219.08104	37.6
219.10077	7.0
219.13774	20.1
221.05930	9.8
221.09650	8.7
222.06693	8.2
222.10239	5.0
229.12228	65.9
233.05879	7.4
233.09592	5.5
234.06841	6.7
234.10408	42.0
235.07529	51.5
236.08109	6.6
237.08984	7.2
247.07550	10.2
247.13268	71.3
249.09106	44.3
250.06262	9.3
250.09810	55.9
265.08578	48.3
265.12122	100.0
265.14542	18.5
266.12009	5.1
275.97260	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	265.1435
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03946	4.2
55.01851	4.3
55.05505	6.3
56.23051	2.1
56.96553	5.2
59.52007	2.2
65.03915	2.9
67.05510	12.3
69.03429	3.9
69.07082	3.3
69.75587	16.8
71.04974	3.1
74.19455	2.4
79.05495	17.5
81.07061	32.9
81.70622	2.2
83.04989	4.0
85.02920	3.0
85.06537	7.7
91.05475	35.0
93.07044	21.1
95.04971	12.4
95.08610	8.4
97.06532	6.7
99.04458	3.4
103.05448	6.6
105.07029	34.2
106.34169	2.5
107.04953	7.0
107.08602	13.0
109.02831	3.0
109.06494	6.0
111.04470	3.2
111.08083	4.5
113.06003	4.2
115.05463	8.8
117.07020	26.1
119.04918	3.6
119.08578	18.0
120.08215	2.3
121.06508	13.2
121.10150	5.4
123.00855	2.2
123.08073	4.2
128.06212	11.0
129.07024	15.6
131.04874	2.9
131.08566	40.6
133.06499	8.1
133.10103	12.5
135.04369	2.8
135.08080	6.5
135.11661	3.0
137.05963	6.7
141.06987	10.4
142.07762	5.5
143.08562	33.2
145.06485	11.5
145.10120	23.4
147.08052	7.6
147.11661	6.6
149.05984	12.6
149.09601	3.4
151.07573	5.0
153.06972	5.2
155.08548	18.0
155.91742	2.8
156.09261	3.0
157.10136	13.8
159.04482	4.7
159.08047	12.1
159.11682	18.2
161.05983	6.7
161.09663	9.0
163.07559	7.9
165.07007	5.8
167.08521	2.7
168.09302	11.5
169.10129	10.7
171.08070	6.1
171.11688	11.5
173.06007	5.5
173.09654	7.2
173.13242	19.1
175.07568	5.9
175.11185	7.0
177.09158	6.0
178.07822	8.2
179.08554	7.7
181.06554	3.0
181.10152	3.6
183.11685	30.9
185.09714	2.8
186.06819	2.7
187.07526	5.5
187.11186	12.1
189.00757	3.0
189.07013	7.8
189.09109	12.6
189.12744	5.1
190.07745	4.0
191.07054	3.6
191.08595	7.7
191.10677	2.7
193.10168	4.4
194.07292	8.5
195.08115	2.7
199.11092	2.8
201.09151	8.9
201.12743	41.7
203.61668	2.6
205.06525	5.9
205.08466	3.2
205.12238	4.7
206.07286	5.2
207.08063	45.4
207.10002	2.4
209.09639	3.5
211.11052	12.0
217.06461	2.4
217.12146	11.1
218.07350	3.5
219.08072	10.3
219.13832	15.5
221.06079	5.4
222.06677	3.8
229.08699	4.6
229.12241	61.9
233.06113	4.0
234.10391	6.5
235.07530	28.9
236.08160	3.0
237.09100	15.1
247.07520	4.5
247.09639	4.0
247.13292	94.8
250.06284	2.6
250.09857	9.0
251.07065	8.8
263.06628	3.1
265.08612	100.0
265.12018	12.3
265.14508	32.4
266.09268	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	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03945	8.0
55.05497	14.8
65.03924	8.5
67.05499	29.6
67.60389	3.7
69.03431	43.3
69.07059	4.2
70.95557	16.0
71.04971	5.3
74.74345	4.1
79.05482	24.2
81.07040	17.9
83.04961	6.6
84.59814	4.2
91.05469	53.4
93.03408	15.8
93.07035	36.0
95.04967	46.5
95.08584	17.8
97.02890	6.1
97.06499	9.9
99.04439	9.2
105.07030	74.7
107.04963	6.6
107.08591	24.4
109.06495	35.7
111.04425	29.0
111.08072	6.0
113.05984	11.1
115.05424	7.8
116.06210	7.0
117.07001	17.4
119.08588	100.0
121.02856	15.2
121.06523	58.7
121.10187	10.1
123.08038	22.5
125.05980	5.6
128.06148	6.8
129.06973	19.1
130.07777	5.7
131.08562	47.3
133.06497	12.8
133.10115	15.9
135.08049	86.1
137.09607	17.2
139.03903	10.5
139.07541	8.3
141.06944	14.1
142.07777	11.5
143.08501	22.2
144.09355	10.3
145.06474	13.5
145.10094	32.9
146.07231	6.1
147.08035	46.0
147.11679	17.4
149.09586	6.6
153.06979	5.9
153.09178	6.2
154.07756	6.9
155.08553	8.3
156.09297	7.1
157.10106	23.7
158.07249	17.9
158.10901	5.6
159.08060	36.3
159.11687	39.3
161.05975	6.0
161.09608	35.5
165.09111	25.3
168.09396	10.7
169.10101	7.6
171.08067	7.9
171.11697	5.7
172.08836	23.2
173.09569	18.0
173.13268	15.6
175.07556	60.0
175.11168	34.6
181.06410	5.6
183.11613	11.4
185.09540	5.9
186.10370	5.5
187.11140	28.4
189.12703	11.9
193.08595	20.0
193.10162	7.8
196.08867	8.3
199.11211	10.0
201.12675	28.9
203.10625	37.4
211.11220	21.3
217.12218	17.5
219.13780	6.4
229.12195	21.1
247.13353	27.9
265.14365	38.5
282.15753	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	265.1431
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.03948	4.1
55.01869	6.7
55.05502	7.9
59.10337	3.3
67.05500	14.7
69.07041	4.8
71.04982	9.1
71.65645	3.9
71.66038	5.2
78.47575	3.1
79.05492	14.3
81.07052	40.6
83.04958	6.6
85.06528	6.3
91.05489	33.5
93.07037	24.6
95.04970	7.7
95.08601	12.0
97.06534	7.0
99.04459	7.7
103.05478	6.4
105.07017	36.2
107.04945	7.8
107.08578	15.5
109.02864	3.7
109.06523	7.6
109.10145	5.4
115.05460	11.7
117.07004	32.5
119.08566	26.7
121.06530	7.1
121.10130	6.0
122.07175	3.1
128.06238	21.8
129.07016	16.0
131.04866	3.5
131.08551	37.6
133.06477	4.8
133.10121	16.3
135.08052	7.5
137.05946	5.6
141.06992	11.3
142.07822	7.8
143.08542	45.6
145.06479	10.1
145.10130	20.2
147.08015	8.5
147.11630	10.5
149.05948	3.5
149.09613	4.3
153.06973	11.0
155.08536	27.4
157.10104	17.7
159.08057	10.3
159.11671	32.1
161.09558	15.3
163.07556	5.0
168.09341	35.6
169.10097	4.3
171.08047	12.3
171.11697	6.6
173.06102	6.6
173.09659	8.4
173.13261	22.4
175.11209	6.3
177.09116	4.3
179.08461	4.6
181.10115	6.8
183.11679	100.0
185.09599	3.3
185.13223	7.6
187.11147	29.1
189.09085	27.7
191.08572	7.9
193.10127	6.4
201.09041	3.5
201.12714	54.5
203.14348	4.8
205.12230	11.8
207.08057	10.4
207.10074	4.6
209.09612	3.4
211.11133	30.3
217.12286	5.9
219.08109	5.2
219.13795	19.7
222.52357	3.5
229.12222	91.0
234.10374	8.2
235.07500	8.3
236.11980	8.1
237.64844	3.6
247.13280	67.8
250.09853	10.5
265.08514	9.0
265.12024	15.6
265.14468	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Parthemollin
Peak:m/z	Relative Intensity
53.03936	3.3
55.01861	13.7
55.05497	13.5
57.03447	2.8
67.05499	25.4
69.03415	9.6
69.07045	11.8
69.62711	6.8
69.63120	17.5
71.04975	13.1
73.02905	6.1
77.03951	3.0
79.05482	26.3
81.03396	9.0
81.07050	34.3
83.04973	12.0
83.08607	5.7
85.02908	2.9
85.06525	6.0
91.05465	41.2
92.38934	3.1
93.07044	46.0
95.04984	16.8
95.08607	28.6
97.06494	9.0
99.04460	5.8
103.05453	7.4
105.07024	77.6
107.04945	14.7
107.08586	53.0
109.02801	3.9
109.06512	11.3
109.10165	15.1
109.98817	3.0
111.04398	5.9
111.08114	4.2
111.61034	3.2
115.03933	3.2
115.05431	13.0
116.06203	3.9
117.07014	43.8
117.58462	2.7
119.04896	7.1
119.08585	61.3
119.61393	2.8
121.06493	13.0
121.10153	14.9
123.04421	3.1
123.08067	8.2
125.09583	3.9
127.03907	9.1
128.06206	9.7
129.07030	19.3
130.07735	6.1
131.04866	6.2
131.08556	62.3
133.06500	23.4
133.10124	52.9
135.08034	18.1
135.11671	12.9
137.06010	3.7
137.09604	8.7
141.05478	5.6
141.06981	10.6
142.07793	16.5
143.08553	44.2
144.05699	5.0
144.09294	5.6
145.06483	34.0
145.10117	69.2
147.08037	17.9
147.11678	24.8
149.05997	3.6
149.09572	10.4
151.07565	3.3
153.05473	6.2
155.05940	3.8
155.08536	12.4
156.09293	6.8
157.06512	4.4
157.10115	58.9
158.07289	3.5
158.10896	3.9
159.08051	44.7
159.11691	54.9
160.08716	4.4
161.05951	6.1
161.09602	46.1
161.13313	4.7
163.07521	10.2
167.07048	10.7
167.08415	3.3
168.09340	12.5
169.10066	5.8
171.08105	5.5
171.11678	12.3
172.08882	3.9
173.06007	18.5
173.09586	15.5
173.13231	31.7
175.07652	4.5
175.09714	6.3
175.11165	60.0
175.14767	3.3
177.05498	4.4
177.09023	15.1
177.12741	7.8
178.07674	3.3
179.08563	5.7
182.10965	3.7
183.11708	32.3
185.09642	4.4
185.13286	6.3
187.07518	12.9
187.11197	32.6
187.14835	22.4
189.09111	16.3
189.12704	7.6
190.06255	8.0
191.07021	25.1
193.08601	4.2
197.13223	7.6
199.11188	14.0
201.12747	63.1
203.14330	4.5
205.08591	23.0
205.12192	6.8
205.15912	3.9
207.08073	8.5
207.10135	61.8
211.11186	9.0
215.07069	3.4
215.14362	23.3
217.08508	5.6
217.12141	27.1
218.09285	3.5
219.08156	6.3
219.10185	11.0
219.13788	80.9
221.05986	3.6
229.12260	39.2
233.15353	74.1
234.10321	12.1
235.07474	10.3
235.13208	6.2
247.09720	10.6
247.13277	100.0
247.16925	6.1
249.09117	6.1
250.09845	11.0
265.08472	6.9
265.12003	13.0
265.14398	64.8
265.17981	46.1
276.06793	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	265.1432
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
51.75171	0.9
53.48518	1.0
62.94384	1.0
67.05490	1.1
69.03425	1.3
70.95298	1.3
71.04995	2.1
71.07798	3.0
79.05482	1.6
81.07031	4.6
88.53340	0.9
91.05472	4.3
93.07035	2.5
95.08589	2.6
99.04421	4.3
102.32727	1.0
103.05484	1.0
105.07028	5.1
107.08557	3.0
117.06991	3.1
119.08538	3.0
128.06219	4.7
129.07016	2.5
131.08545	6.1
133.10112	2.9
142.07739	1.8
143.08578	13.2
145.06445	2.6
145.10088	2.1
147.11559	1.2
149.05939	1.2
155.08501	3.2
157.10118	2.5
159.08067	4.8
159.11702	5.6
161.09618	2.2
163.07535	1.6
165.06975	2.4
168.09322	2.1
171.08113	1.2
173.13223	3.1
175.11197	2.1
178.07751	4.9
179.08557	13.3
183.11711	6.3
185.09682	1.1
187.07518	1.3
187.11188	3.3
189.07092	5.8
189.09138	7.8
190.07742	5.1
191.06918	1.4
191.08569	17.8
192.09230	1.3
193.10168	2.5
201.12711	11.4
202.07748	3.4
203.08528	9.3
203.10677	4.1
204.09285	1.7
205.06516	2.6
205.10045	3.4
206.07228	1.3
207.08075	17.9
208.08879	1.4
211.11185	2.1
217.06448	5.0
218.07321	7.9
219.08008	19.2
219.13834	1.8
220.08527	1.5
221.06027	6.8
221.09583	9.1
222.06790	2.0
222.10332	3.2
229.12251	11.9
231.08011	1.2
232.08829	1.1
233.09550	9.2
234.10387	41.2
235.07539	56.8
235.10974	2.4
236.08241	6.9
237.09015	1.9
247.13373	8.9
249.09081	12.1
250.09882	55.4
251.10323	1.7
265.12222	100.0
266.12375	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	265.1221
Annotation	Dehydrojuncusol
Peak:m/z	Relative Intensity
57.09149	0.5
62.23520	0.4
67.44909	0.5
69.40749	5.2
69.41080	0.7
72.27157	0.5
72.56957	0.5
95.02242	0.5
98.02917	0.5
104.60555	0.6
118.03734	0.5
128.06207	0.8
150.04572	0.5
151.42229	0.5
157.47818	0.5
165.06993	1.8
176.06169	0.6
178.07759	4.9
179.08545	12.9
189.06981	5.4
190.07776	5.5
191.08537	16.3
192.09242	1.2
193.06473	1.7
193.10143	3.1
196.28499	0.5
202.07799	3.9
203.08562	9.8
204.09265	2.3
204.11073	0.6
205.06555	2.8
205.10085	4.1
206.07240	1.9
207.08044	13.2
208.08653	0.7
215.08505	0.8
217.06548	4.7
218.07251	10.9
219.08052	21.2
220.08730	1.4
221.06007	8.5
221.09561	9.4
222.06808	1.4
222.10384	3.6
231.08020	1.6
232.08763	0.7
233.09602	8.6
234.06958	0.7
234.10388	50.7
235.07529	59.3
235.11217	2.0
236.08287	9.8
237.09119	1.6
249.09105	8.6
250.09882	62.8
251.10251	1.0
265.12225	100.0
266.12476	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	265.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01864	2.2
55.05514	4.8
56.05029	1.1
56.96566	21.7
57.03434	2.7
57.07066	0.9
60.95849	1.0
61.02937	3.9
65.03928	1.4
67.05508	3.9
69.03441	8.4
69.07050	2.9
69.40700	0.8
70.06591	5.1
70.98125	1.2
71.05000	3.9
71.62730	0.7
71.63117	1.2
71.95263	0.8
72.08141	2.8
73.02914	3.8
73.06564	2.3
74.97587	0.8
79.05480	3.6
79.64149	0.8
80.05019	1.1
81.03413	2.4
81.04546	13.3
81.07057	3.2
83.04980	1.5
84.04492	1.1
84.08154	3.6
84.96023	2.0
85.02902	9.6
85.06538	1.0
85.18885	0.7
85.65000	0.7
86.09706	1.5
87.04462	1.0
88.99184	0.9
89.03922	1.3
91.03967	0.7
91.05483	5.3
93.03384	0.9
93.07047	4.2
95.04958	4.8
95.08610	2.6
96.10225	0.7
97.02892	6.2
97.06557	1.0
97.96824	0.9
98.97588	16.6
99.04469	1.5
100.89561	0.8
102.97017	0.8
103.00645	1.1
103.05459	0.8
105.02071	0.8
105.07030	5.2
107.01844	0.9
107.04962	1.2
107.08599	2.1
109.02908	2.1
109.06523	1.0
109.10135	0.9
110.07167	1.0
110.97585	2.1
111.04449	2.9
111.08092	0.8
112.99142	1.9
113.05996	1.9
116.98622	12.5
117.06987	1.2
119.00064	0.8
119.01853	2.1
119.04952	2.0
119.08571	5.9
121.01669	2.5
121.02899	1.3
121.06519	2.6
121.10112	1.9
122.07155	100.0
123.04401	1.2
123.08067	2.3
126.03725	1.0
127.03927	1.5
128.98624	3.8
129.06984	0.8
129.10265	1.7
130.07788	1.4
131.00166	3.3
131.08575	3.1
133.01685	1.4
133.10139	1.8
134.99661	8.2
135.04410	2.2
135.08049	4.8
137.06001	2.2
139.03870	0.7
143.00168	1.8
143.08479	1.6
144.04784	27.8
144.98119	1.2
145.01651	2.8
145.02747	1.1
145.05002	1.3
145.06520	0.9
145.10110	2.9
146.99663	4.6
147.03239	1.9
147.04407	2.5
147.05551	0.8
147.08047	2.8
147.11656	1.9
149.01251	4.5
149.02280	0.7
150.99081	0.9
153.00670	1.0
155.04662	9.0
156.04767	1.1
157.10107	2.0
158.01251	1.2
158.07236	1.6
158.99648	3.5
159.03253	1.0
159.08049	2.1
159.11722	2.6
161.01242	3.7
161.03055	0.7
161.09619	2.8
162.99181	2.0
163.02708	6.1
163.03819	4.7
164.05235	5.2
165.00737	1.5
165.04294	1.2
165.09111	2.2
166.55440	1.6
171.03094	1.0
172.08875	0.9
173.01234	1.2
173.02907	1.0
173.06517	1.0
173.09607	1.5
173.13203	1.5
175.02705	3.5
175.04198	0.9
175.07561	3.2
175.11113	1.5
177.00726	3.3
177.04309	1.5
177.05789	1.2
179.02275	1.3
183.11720	2.0
184.04922	1.0
184.06688	1.3
185.02931	1.0
187.02791	1.5
187.11217	2.7
189.00696	1.8
189.04309	1.1
191.02249	1.6
193.00038	1.2
193.03796	2.1
193.08548	1.2
199.11055	0.8
201.00749	1.6
201.12759	3.3
203.10786	2.8
204.04643	1.3
205.00204	2.5
205.03703	1.2
205.12096	0.9
211.11211	1.6
217.03766	0.9
217.05653	1.1
217.12291	1.1
219.01743	3.5
219.05278	2.4
219.13885	1.0
220.06047	1.6
223.01242	4.0
223.04930	2.6
229.12253	2.8
237.02789	2.6
241.02330	1.4
242.03368	1.5
247.01364	1.6
247.13293	3.2
256.06836	0.9
260.04526	2.7
265.05875	5.4
265.14426	3.0
265.25171	1.3
283.07062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
60.94016	1.8
61.94548	2.6
67.05500	2.7
69.03425	3.0
69.07076	4.5
70.71054	8.4
74.56657	1.9
79.05499	4.5
81.03427	3.0
81.07040	11.3
83.04986	3.0
83.08619	1.9
91.05463	10.4
93.07039	6.4
95.04964	2.1
95.08588	5.5
102.53178	1.9
103.05470	5.2
105.07011	13.5
107.04975	2.1
107.08594	4.5
109.10149	2.1
115.05454	17.7
117.07033	33.9
119.08597	7.8
121.06470	2.7
121.10149	5.0
122.07225	3.5
128.06242	7.0
129.07007	6.8
131.08588	12.1
133.10107	4.9
141.06961	3.7
143.08534	4.5
144.05722	4.2
145.06473	54.7
145.10138	5.1
147.04427	4.3
147.08078	3.1
147.11775	1.9
149.05937	2.0
155.05980	9.5
155.08510	2.4
156.05713	12.2
157.06424	2.5
157.10129	3.0
159.08034	8.2
159.11670	4.1
161.06035	5.4
161.09579	2.2
161.52551	1.8
165.06998	5.1
165.69391	2.1
166.07764	4.3
167.06982	4.2
167.08487	1.9
173.05972	54.7
173.13237	2.9
175.03922	3.1
175.07559	4.0
177.06941	2.3
178.07788	6.9
179.08527	17.1
183.11714	4.3
186.06763	2.1
187.07562	4.6
187.11197	3.5
189.07025	6.1
189.09001	2.8
190.06264	24.4
190.07796	6.9
191.06995	3.3
191.08522	25.7
193.10193	4.6
194.07253	5.8
194.10818	2.0
201.12764	7.5
202.06223	2.5
202.07816	3.9
203.06989	8.8
203.08603	7.2
204.05734	3.2
205.06525	11.8
205.08614	38.3
205.10141	4.0
206.07231	3.9
207.08093	23.0
207.09996	3.6
217.06549	4.7
217.08548	30.2
218.07216	9.6
219.08063	33.5
219.10056	3.3
219.13779	3.7
220.08601	2.6
221.05997	7.1
221.09631	7.6
222.06723	7.5
222.10071	3.4
229.12334	7.4
231.08127	2.4
233.05975	5.9
233.09647	6.5
234.06668	6.2
234.10403	42.2
235.07521	60.5
235.09608	4.7
236.08276	9.1
237.09071	6.3
247.07442	4.4
247.09651	6.5
247.13261	4.0
249.09100	24.4
250.06223	3.0
250.06711	3.0
250.09846	60.3
265.08563	25.8
265.12213	100.0
265.14224	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.2
55.05502	10.1
55.18895	4.1
57.76788	3.6
67.05489	8.3
69.07050	7.5
69.31919	3.5
70.79026	10.6
71.04961	4.1
79.05468	23.3
81.03402	25.6
81.07048	21.6
83.04973	8.7
91.05454	26.7
93.07031	17.2
95.04952	11.5
95.08595	10.0
97.06554	5.9
103.05473	10.1
105.07014	28.6
107.04941	36.6
107.08582	15.0
109.06508	5.4
109.10098	6.9
115.05459	44.8
116.06233	9.6
117.07026	39.4
119.08573	12.8
121.06445	6.0
121.10179	6.8
122.07189	6.4
123.11697	5.0
124.05142	6.4
128.06221	15.9
129.07007	35.8
130.07787	6.8
131.04892	10.5
131.08557	36.0
132.05695	6.4
133.06508	19.2
133.10150	5.9
135.08049	8.2
135.11632	4.7
141.06987	23.0
143.04919	9.5
143.08582	12.1
144.05687	42.7
145.06474	78.3
145.10120	16.2
147.04417	7.6
147.08038	16.1
147.11661	8.6
149.05893	5.3
149.09512	5.1
153.06964	4.4
155.04880	9.2
155.06012	10.1
155.08591	7.3
156.05687	10.3
157.06493	20.3
157.10164	4.4
158.07277	16.1
159.08038	58.9
159.11668	11.2
160.05182	6.1
161.06001	24.6
161.09641	8.4
163.11153	5.3
165.06842	4.5
167.03404	9.6
167.07043	69.5
167.08437	8.5
169.06444	10.6
171.04414	6.0
172.05247	10.7
173.05980	72.6
173.09596	5.4
175.07523	26.6
175.11064	5.7
177.09120	4.7
178.06232	6.2
179.08556	12.0
181.04912	7.9
183.11711	8.5
186.06699	7.6
187.07536	63.0
189.06989	5.3
190.06236	42.1
190.07748	6.5
191.06979	18.1
191.08588	11.8
192.07762	8.5
193.08627	11.1
201.12695	12.7
203.06989	21.7
203.08655	5.8
205.06529	7.7
205.08566	100.0
207.06364	5.9
207.08083	13.4
207.10149	14.0
209.09587	5.3
211.11279	5.6
213.05672	3.9
214.22394	4.1
215.07060	11.5
217.08556	25.8
218.09344	32.5
219.08084	11.7
219.10184	48.5
219.13739	9.0
221.06036	6.5
221.09709	8.0
229.12057	8.3
234.10393	21.7
235.07535	24.8
235.09590	8.0
237.09164	5.7
242.74156	4.3
247.09633	73.0
247.13353	12.4
249.09015	4.9
250.06117	3.9
250.09923	24.7
265.08316	9.7
265.12167	31.5
265.14737	9.8
265.18152	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77202	2.6
55.05517	4.3
55.85503	2.6
56.96559	4.0
67.05511	7.2
69.03428	3.1
69.07075	8.0
71.17302	5.9
71.17636	2.8
79.05499	11.0
81.03419	3.4
81.07042	17.1
83.05021	3.9
83.08611	4.4
85.06535	2.8
91.05484	12.2
92.30145	2.7
93.07044	10.0
95.04977	3.3
95.08600	10.3
97.06561	2.9
103.05460	5.8
105.07038	16.0
107.08608	10.8
107.50977	2.9
109.10139	6.0
111.04437	3.0
115.05463	21.3
117.07031	36.3
119.08562	11.2
121.06492	3.9
122.07146	3.7
123.11683	4.5
128.06219	7.8
129.07024	6.3
131.08588	6.7
133.06511	2.8
133.10135	7.7
135.08093	2.8
141.06999	3.6
143.08545	5.0
144.05762	4.0
145.06477	65.7
145.10141	6.4
147.08060	6.5
149.13297	3.0
153.06953	3.4
155.06030	9.5
156.05698	16.2
157.10155	4.6
159.08054	10.5
159.11688	6.8
161.05968	6.0
161.48228	3.0
163.04016	3.7
165.07068	6.4
167.07053	2.4
167.08525	3.1
173.05992	76.0
173.13260	2.6
175.07468	3.7
177.06886	2.8
178.07762	7.1
179.08525	18.4
183.11732	3.9
187.07567	5.2
189.07011	4.6
190.06268	30.3
190.07799	7.9
191.06932	4.4
191.08539	31.2
193.10258	4.1
194.07243	5.6
201.12817	5.0
202.06136	3.4
202.07782	5.1
203.06990	13.6
203.08646	7.5
204.09398	3.5
205.06548	10.5
205.08527	52.3
205.10019	4.6
206.07309	4.2
207.08046	20.9
217.06560	6.8
217.08560	46.9
218.07217	12.1
219.08095	30.4
219.13841	3.3
221.06107	13.2
221.09676	12.5
222.06709	7.2
223.07584	3.2
229.12302	5.5
232.08902	2.6
233.06078	6.3
233.09581	8.6
234.06746	4.3
234.10388	44.4
235.07527	55.3
235.09648	3.3
236.08322	8.9
237.09119	4.8
247.07590	4.2
247.13387	5.0
249.09047	24.2
250.06093	3.3
250.07246	4.2
250.09834	55.9
265.08624	23.1
265.12204	100.0
265.14529	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.9
55.05485	6.1
57.03415	4.5
58.40401	3.3
67.05492	13.0
69.03420	5.9
69.07059	9.9
70.82664	8.8
70.83026	7.4
71.04968	5.1
79.05480	24.1
81.03415	22.3
81.07056	22.5
83.04935	4.8
91.05476	39.5
93.07019	13.9
95.04974	9.0
95.08606	19.9
97.06522	5.7
103.05444	11.0
105.07025	27.7
107.04948	33.7
107.08575	11.9
109.06548	9.4
109.10131	10.4
111.04417	5.2
115.05449	37.4
116.06216	10.6
117.07014	43.7
119.08544	16.3
121.02769	3.8
121.06448	3.9
121.10146	9.8
122.07124	5.8
123.04456	7.5
124.05178	5.6
128.06219	16.4
129.07013	34.0
131.04884	13.8
131.08549	50.0
132.05650	8.3
133.06483	10.2
133.10109	9.4
135.04378	3.7
135.08063	8.5
141.07013	25.4
143.04892	10.2
143.08508	13.6
144.04724	4.6
144.05701	33.6
145.06480	64.0
145.10136	16.8
147.04375	10.1
147.08026	16.7
147.11676	6.2
149.09541	4.0
155.04880	7.9
155.06027	8.9
155.08562	6.7
156.05678	10.5
157.06450	12.7
157.10083	7.4
158.07265	16.5
159.04434	4.2
159.08052	55.0
159.11673	15.3
160.05154	6.1
161.06004	22.7
161.13177	3.9
163.03912	8.7
165.07019	4.2
167.07045	74.6
167.08464	7.0
168.09251	3.9
169.06419	8.7
169.07693	4.4
171.04504	3.7
171.11774	4.9
172.05144	11.8
173.05980	76.3
173.09596	3.9
173.13400	3.5
175.03864	4.1
175.07552	20.6
175.11198	7.1
177.05565	5.2
177.09131	6.4
177.12726	4.3
178.07758	4.7
179.08540	12.9
181.05086	4.4
181.10138	4.6
183.11705	10.2
186.06711	9.7
187.07547	68.6
187.11183	8.7
188.07999	4.0
189.05389	6.1
189.07008	4.4
190.06270	42.0
191.06975	15.3
191.08582	9.8
192.07765	13.9
193.08543	14.6
193.10083	5.5
201.12732	13.8
202.06165	5.2
203.06943	18.1
203.08670	6.9
204.07664	4.5
205.06622	8.5
205.08571	100.0
207.06357	5.2
207.08060	16.4
207.10103	13.5
215.07048	16.7
217.06645	4.6
217.08588	20.7
217.44679	3.6
218.09317	27.2
219.08015	12.6
219.10150	39.7
219.13734	8.1
221.05951	10.2
221.09567	8.8
222.06642	4.7
222.10414	4.1
222.14046	4.3
229.08635	8.8
229.12210	13.8
233.09763	4.4
233.15356	4.2
234.10425	22.7
235.07552	29.0
235.11360	6.1
236.08186	4.5
236.12001	8.4
237.09114	5.7
247.07182	4.9
247.09654	70.0
247.13348	13.1
247.16902	4.7
249.09038	6.8
250.09816	33.7
252.96701	3.9
265.08182	8.5
265.12048	51.0
265.14661	12.9
265.18192	6.2
266.99057	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.3
55.01867	1.6
55.05509	14.8
57.03433	2.1
57.06783	0.8
57.07067	12.4
65.03925	2.4
67.05502	88.2
69.06708	1.1
69.07067	14.5
69.73590	3.4
69.74001	1.8
71.04983	1.6
71.08620	7.3
75.59428	0.7
79.05487	21.4
79.05945	1.1
81.07053	100.0
82.07370	1.0
83.04960	1.8
83.08619	15.4
85.06537	4.6
85.10178	3.4
91.05479	17.8
93.07039	23.3
95.04977	2.8
95.08601	92.0
97.05962	1.2
97.06523	9.5
97.10153	8.1
99.08093	5.2
105.07023	17.0
107.08598	15.8
109.06498	1.5
109.10149	47.7
111.08070	5.1
113.09642	3.6
117.06993	1.1
119.08574	14.7
121.10146	18.4
123.08069	2.9
123.11700	18.9
127.11216	1.9
133.10127	19.9
135.11707	11.6
137.09641	2.6
137.13229	8.4
139.11145	1.1
141.12732	2.1
145.10143	0.9
147.11687	15.5
149.13255	9.1
151.14796	8.3
155.14348	1.1
159.11659	0.8
161.13249	13.3
163.14824	9.4
165.16389	9.8
167.14320	1.2
175.14832	7.5
177.16414	2.3
179.17990	5.6
181.15797	0.8
189.16385	3.7
203.17976	9.7
204.18401	0.8
217.19449	1.9
219.21147	0.8
233.13246	0.9
245.22638	36.6
246.22922	1.3
256.77414	0.7
263.23694	67.1
264.24014	1.7
272.19907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01877	3.5
55.96120	0.6
57.03436	1.6
67.05499	2.6
69.03425	2.0
69.07074	9.9
69.63313	2.7
69.63720	1.8
79.05067	1.0
79.05494	13.9
81.07046	1.8
81.99572	0.6
84.08173	0.6
91.05476	13.1
95.04959	1.9
97.02882	1.4
97.06531	100.0
97.41623	0.6
98.06889	1.5
105.07030	0.8
107.04966	1.0
109.06548	0.9
119.04929	9.3
121.06490	0.8
123.04543	0.8
123.08002	0.8
129.07069	0.8
130.25031	0.6
133.06494	2.3
135.04422	2.5
135.08011	0.7
136.08360	1.1
137.05975	68.9
138.06305	0.9
143.26642	0.6
145.06491	0.7
147.04399	6.9
149.05989	1.6
161.09618	1.6
171.08006	1.1
178.91092	0.6
179.08487	1.1
189.09106	12.7
191.08568	0.8
200.11647	0.8
205.06516	0.9
205.12344	0.7
215.10735	4.3
215.74840	0.7
233.11729	53.4
234.12053	1.8
235.07558	0.8
235.13258	0.9
236.08035	1.4
237.09125	1.2
246.11951	1.1
247.13286	8.5
249.00798	0.6
264.07776	3.3
264.15939	45.5
265.08502	2.5
265.16412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.05505	2.9
57.07061	2.5
60.04520	100.0
67.05499	8.5
69.07050	9.4
70.26470	3.4
70.26874	1.8
71.08624	1.5
72.81762	0.9
79.05478	7.5
81.07049	45.0
82.07357	1.3
83.08623	2.7
91.05462	4.3
93.07037	32.5
95.04968	1.2
95.08594	26.2
96.08923	1.6
97.10143	1.9
101.16703	1.2
105.06995	5.4
107.08585	17.9
109.10143	19.3
119.08558	2.1
121.10129	97.9
122.10517	1.3
123.11684	9.3
133.10156	1.4
135.11681	12.8
143.08528	1.2
145.10092	1.0
149.13243	32.6
157.76117	1.1
159.11728	1.3
163.14835	1.9
166.02509	1.1
173.13226	1.9
180.41357	1.0
189.99663	1.0
201.12709	1.7
205.19493	42.4
229.12190	2.1
247.13306	1.9
248.11890	2.6
249.12631	1.2
264.14938	14.2
264.23218	10.7
265.14816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03946	1.4
55.01847	0.9
55.05510	15.5
57.03444	1.8
57.07067	10.4
65.03935	2.7
67.05502	80.9
69.03439	0.8
69.07064	14.7
70.79621	3.0
71.04987	2.3
71.08629	6.8
74.42586	0.8
75.82182	0.8
79.05489	23.2
81.07053	100.0
82.07384	1.2
83.04983	2.3
83.08620	11.1
85.06528	5.0
85.10171	1.8
91.05478	18.2
93.07044	24.2
95.04976	3.3
95.08603	86.4
97.06528	6.2
97.10171	7.5
98.21520	0.9
99.08109	4.4
105.07025	16.7
105.07703	1.6
107.08595	15.0
109.06508	2.2
109.10151	49.0
111.08118	4.6
111.11662	1.2
113.09647	3.2
119.08576	19.6
121.10144	20.1
121.65056	1.3
123.08070	2.4
123.11708	20.0
125.09602	1.7
127.11238	1.8
129.06906	1.2
131.08537	1.7
133.10117	17.0
135.11691	10.3
137.09642	2.7
137.13242	7.0
141.12694	1.4
142.07849	0.9
145.10112	1.5
147.11691	17.8
149.13260	8.4
151.14812	9.0
155.14241	1.3
157.10188	1.1
161.13269	12.2
163.14827	6.7
165.16420	8.4
175.14819	9.2
177.16447	2.0
179.14366	1.1
179.17976	3.9
184.71542	0.8
187.14833	1.2
189.16399	3.8
195.11713	0.9
203.10721	0.9
203.17984	7.8
207.11699	1.7
217.19449	1.1
219.21228	1.0
221.13295	1.6
245.15460	1.0
245.22658	27.6
247.11552	3.1
248.12335	2.4
263.08286	2.7
263.14670	19.1
263.17731	2.2
263.23727	63.9
264.23880	1.1
276.04007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05264	1.0
55.05508	16.2
57.03412	1.7
57.07068	13.2
65.03938	2.5
67.05501	87.4
69.07064	15.8
69.96895	3.1
69.97307	3.5
71.04979	1.3
71.08604	8.0
79.05490	24.4
81.07053	100.0
81.09956	1.1
83.04945	1.5
83.08612	16.9
85.06530	5.7
85.10168	4.8
91.05476	20.4
93.07040	26.1
95.04954	2.8
95.08604	94.8
97.06516	8.2
97.10172	6.6
99.08082	7.2
102.46860	1.1
105.07030	17.7
107.08588	18.8
108.22665	1.2
109.06516	1.7
109.10149	49.8
111.08067	5.1
111.11697	1.8
113.09620	4.2
119.08581	17.8
121.10141	21.3
123.08064	3.8
123.11704	22.2
125.09650	2.1
127.11172	3.5
131.08560	1.4
133.10127	20.4
135.11681	13.0
137.09570	2.3
137.13213	6.9
141.12753	2.9
147.11674	15.2
149.13240	9.4
151.11079	1.7
151.14792	7.8
155.14349	1.6
157.10181	1.7
161.13235	15.6
163.14806	9.7
165.12602	1.5
165.16382	12.3
166.30734	1.2
175.14830	8.6
177.16394	2.5
179.17943	5.5
189.16408	4.8
195.17380	1.3
203.17944	9.0
245.22644	42.6
263.08310	2.5
263.23691	86.3
264.23987	2.0
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
53.03922	1.2
55.05262	0.8
55.05508	14.5
57.03407	2.1
57.07074	12.1
65.03928	1.8
67.05500	85.8
69.07064	15.9
69.49415	8.2
71.04999	1.4
71.08619	6.3
79.05488	22.1
81.07050	100.0
83.04939	1.6
83.08606	13.3
85.06539	4.5
85.10165	3.4
91.05470	19.5
93.06458	1.5
93.07037	27.2
95.04947	2.6
95.08598	85.3
97.06529	5.8
97.10146	6.2
99.08082	7.5
105.07024	17.2
106.36571	1.0
107.08585	16.7
109.06518	1.6
109.10146	45.1
111.08059	3.8
113.09612	3.7
119.08566	16.6
121.10139	18.5
123.08070	1.9
123.11699	19.6
125.09580	1.3
127.11210	2.3
133.10110	19.2
135.11687	9.4
137.09595	1.8
137.13263	7.6
141.12717	1.1
147.11668	16.8
149.13257	7.4
151.11172	1.1
151.14841	8.2
161.13226	13.0
163.14810	8.5
165.12787	1.2
165.16383	7.5
175.14859	7.6
176.72302	0.9
177.16367	1.8
179.17932	3.2
181.15816	1.3
189.16386	3.1
203.17957	10.1
217.19576	1.6
219.10063	1.9
245.22641	28.9
263.12640	1.3
263.17795	2.1
263.23688	61.3
264.24109	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	263.2005
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03947	2.0
55.05513	19.6
56.14678	1.6
57.07072	3.1
61.84583	1.5
61.84921	1.4
65.03935	2.2
67.05171	2.0
67.05508	30.9
69.03413	2.2
69.07069	20.3
71.63738	1.4
71.64162	2.7
79.05498	18.1
81.03397	1.7
81.07058	37.3
83.08607	6.3
85.06525	1.9
87.65423	1.5
91.04974	2.0
91.05489	29.0
93.07045	34.2
95.04951	5.4
95.08609	42.2
97.06545	2.5
97.10171	4.2
103.05458	2.8
105.07031	77.4
107.08594	40.8
107.85717	1.5
109.06520	2.6
109.10158	42.7
115.05441	2.1
115.91776	1.4
117.07021	6.5
119.08582	100.0
121.10151	47.1
123.08069	4.7
123.11698	5.9
128.06207	1.5
131.08553	6.8
133.10138	77.3
135.11679	11.9
143.08607	2.4
145.10085	7.6
147.11688	85.8
149.13277	3.6
159.11731	3.9
161.05826	1.7
161.13271	38.0
165.16325	1.7
171.11649	2.6
175.14798	5.3
203.17978	33.9
207.11705	2.6
221.13202	2.7
245.22690	3.5
263.05396	1.9
263.08224	3.2
263.14566	6.9
263.17868	3.7
263.20093	33.4
263.23676	6.3
267.18359	1.7
278.28528	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	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.05500	26.9
67.05502	57.0
69.07062	19.9
71.64481	7.9
79.05499	41.5
81.07059	70.2
83.08606	11.5
85.06551	12.5
90.10072	7.1
91.05476	32.2
93.07043	61.2
95.08612	81.2
103.16079	5.6
105.07027	99.8
107.08591	87.5
109.10141	61.6
111.08134	8.4
117.07042	7.8
119.08569	81.7
121.10137	46.3
123.08105	6.7
123.11700	16.9
129.06953	5.7
131.08572	10.7
133.10110	54.6
135.11694	50.5
135.86975	5.8
143.08604	7.1
145.10139	8.0
147.11685	48.3
161.13313	29.3
166.24588	5.7
175.14700	6.6
203.17940	100.0
207.11781	7.0
220.55727	6.2
221.13243	8.8
255.58475	5.9
263.08170	8.8
263.14410	11.1
263.17862	26.8
263.20135	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
52.86990	1.4
55.05505	12.6
56.39745	1.4
57.07074	8.9
59.77635	1.3
67.05499	79.2
69.07068	13.8
71.04987	3.2
71.08630	3.6
71.27142	3.5
79.05489	24.4
81.07050	98.6
83.08610	11.4
85.06542	4.0
85.10127	1.7
91.05470	20.8
93.07041	37.5
95.05005	1.7
95.08599	100.0
97.06525	2.7
97.10163	6.3
97.82859	1.5
99.08075	4.4
105.07024	39.4
107.08587	40.6
109.06561	2.3
109.10147	52.2
111.08072	3.2
113.09656	2.5
119.08562	33.3
119.09330	2.6
121.10137	28.8
123.08075	1.9
123.11698	20.8
125.09618	1.4
125.31424	1.3
131.08540	2.0
133.10120	26.3
135.11696	12.6
137.09630	2.5
137.13268	5.1
145.10121	1.5
147.10497	2.2
147.11676	38.7
149.13287	5.6
151.14877	2.9
161.13260	19.7
163.14854	4.8
165.16396	4.4
175.14827	10.7
178.43272	1.4
185.24718	1.8
189.16432	2.3
203.17947	100.0
218.29929	1.6
243.58574	1.5
245.22647	17.8
257.66504	1.5
263.08163	1.6
263.14755	2.2
263.17709	2.1
263.20117	5.1
263.23758	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	263.2004
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.05498	20.9
67.05493	27.1
69.07048	8.1
70.16539	11.9
70.16962	33.6
71.38933	7.3
74.44467	6.8
79.05475	25.0
81.07055	69.6
91.05467	25.0
93.07004	34.4
95.08601	70.6
105.07014	93.8
107.08603	59.4
109.10175	50.4
119.08572	86.7
121.10141	28.3
123.11647	11.0
133.10092	56.9
135.11696	22.0
147.11671	53.3
161.13277	51.2
169.56909	6.9
175.14845	12.5
203.17967	100.0
218.93500	6.6
263.19916	12.9
263.22287	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	263.1277
Annotation	9alpha-Hydroxyzaluzalin C
Peak:m/z	Relative Intensity
51.04696	2.1
53.03947	2.3
55.01831	1.9
55.05501	4.9
57.07076	2.2
65.03924	2.4
66.80280	2.0
67.05491	12.6
69.03426	4.9
69.07055	4.5
70.32893	6.5
70.33286	3.5
71.04974	3.0
76.74161	1.9
79.05485	11.5
81.07050	21.8
83.04959	2.6
83.08623	2.6
85.06539	19.9
91.05475	29.8
93.07039	16.8
95.04955	5.0
95.08610	19.8
97.02879	2.6
97.06521	2.9
103.05437	2.9
105.07025	33.9
107.08585	22.3
109.02925	2.2
109.06519	5.8
109.10134	11.4
115.05418	10.6
116.06229	5.6
117.07006	16.8
118.49181	1.8
119.04962	2.1
119.08569	31.1
121.06484	3.9
121.10146	5.0
123.11726	2.9
125.02357	3.5
128.06201	19.3
129.06998	24.8
131.04906	6.2
131.08549	44.1
131.09497	3.1
133.06488	9.4
133.10147	16.4
135.08046	9.2
137.06059	2.3
141.06978	12.3
142.07782	13.1
143.08549	32.8
144.05707	7.6
145.06467	17.1
145.10100	11.1
147.04463	3.3
147.08008	11.3
147.11678	13.2
153.06963	3.9
155.08636	10.2
156.09346	20.7
157.06465	8.9
157.10107	16.8
158.07280	5.4
159.04448	14.0
159.08047	54.3
161.06003	8.2
161.09535	4.7
161.13246	11.0
163.07568	8.1
165.07004	4.1
166.07828	5.2
168.09340	2.9
169.06427	10.0
169.10155	12.1
170.07274	2.8
171.08038	6.6
171.11688	27.6
173.05975	15.4
173.09621	5.9
173.13226	3.4
175.07498	14.6
175.11188	15.4
177.09134	9.0
181.10146	9.0
183.11775	2.6
184.08794	21.1
185.06058	8.1
185.09674	9.0
187.05859	5.3
187.07532	98.3
189.09117	3.3
189.12770	8.0
199.11174	86.6
200.11621	2.4
201.09064	3.0
201.12782	5.0
203.07022	5.1
203.10661	19.0
203.17955	10.6
205.08585	41.3
209.09662	3.1
212.08414	3.6
217.12234	48.6
219.10031	2.9
221.11644	3.0
227.10654	100.0
245.11719	98.0
263.06860	2.3
263.10059	3.4
263.12729	36.2
263.16522	2.7
263.20111	4.3
275.61841	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	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
53.03935	5.7
55.01865	9.4
55.05498	17.3
57.07074	5.3
67.05508	40.1
69.07059	22.9
71.55290	6.2
72.71914	4.6
79.05485	34.7
80.05854	4.2
81.07057	66.0
83.08619	7.6
90.30533	3.9
91.05472	40.9
93.07034	48.9
95.04957	7.4
95.08600	98.2
97.06509	9.9
97.10141	6.2
105.07029	74.7
107.08591	67.6
109.02833	3.9
109.10147	48.1
111.08069	5.8
117.07045	8.2
119.08574	61.9
121.10137	62.5
121.95680	4.6
123.11697	11.8
125.09571	4.0
131.08551	9.6
133.10126	63.7
135.11673	13.1
145.10133	6.7
147.11676	85.3
149.13348	6.1
159.11729	5.1
161.13239	39.2
171.11623	4.3
172.34163	4.0
175.14871	8.7
187.14824	7.1
203.17961	100.0
206.10947	6.2
207.11688	4.8
221.13336	6.6
221.19012	8.4
263.08261	8.8
263.18021	6.0
263.20099	20.1
263.22333	6.3
263.24020	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	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03959	2.4
55.01861	4.4
55.05504	2.2
63.84888	1.1
65.03930	1.8
67.00854	1.2
67.05186	1.3
67.05484	6.3
69.03429	11.2
69.07072	2.6
69.75298	8.5
79.05488	10.5
81.07063	8.9
83.04996	2.3
84.65161	1.2
85.02899	3.2
87.04436	2.5
91.05482	12.6
93.07021	7.9
95.04975	5.0
95.08606	4.1
97.02879	2.6
97.06531	23.8
99.04443	2.1
105.07030	13.9
107.04956	2.5
107.08595	12.5
109.02888	5.1
109.06521	6.3
109.10155	3.2
111.04442	6.6
113.02357	4.8
115.05473	4.0
117.07045	7.7
119.04945	1.8
119.08576	11.5
121.06509	5.3
121.10126	2.7
123.04402	8.8
123.08087	5.0
128.06241	4.4
129.07004	5.3
129.72302	1.3
131.08560	8.2
133.06491	5.7
133.10126	2.9
135.08051	100.0
137.05966	9.4
139.07468	1.3
141.06961	3.1
142.07771	7.4
143.08571	10.9
144.09311	3.9
145.06468	5.0
145.10139	5.4
146.07237	2.4
147.08061	9.6
147.11641	2.1
149.05925	3.2
149.09616	4.6
151.03952	1.2
151.07571	2.8
155.08522	2.1
156.09343	8.8
157.10123	7.5
158.07301	2.3
159.08034	8.7
159.11676	10.8
160.08849	3.6
161.05977	5.3
161.09627	6.7
163.07547	3.4
165.09128	1.5
166.07747	3.1
169.06456	3.1
169.10216	2.5
171.08069	5.3
171.11665	8.1
172.08810	7.2
173.09642	11.6
174.06767	2.1
175.07597	4.9
175.11186	5.8
177.07002	3.2
178.07776	1.6
181.10164	3.2
184.08817	7.0
185.09644	7.4
187.07562	1.4
187.11203	28.5
188.08311	2.8
189.05423	1.9
189.09126	4.7
189.12805	3.8
191.07030	2.3
197.09680	1.8
199.07518	2.8
199.11192	22.8
199.12888	2.1
202.09804	1.8
203.10667	38.6
205.06561	3.2
205.08466	1.4
209.09502	1.8
212.08235	2.9
215.10649	22.3
217.12230	18.0
227.10661	17.5
233.11693	19.6
234.12073	1.5
235.07553	5.9
245.11731	63.4
263.06976	5.4
263.10202	2.3
263.12836	20.6
264.15942	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	263.1279
Annotation	Pentalenolactone E
Peak:m/z	Relative Intensity
53.03936	6.3
55.01849	8.1
55.05502	8.8
57.03422	2.7
62.04380	2.7
67.05507	21.8
69.03407	10.3
69.07065	5.0
70.05264	7.6
70.05676	6.9
70.06570	3.5
71.04973	11.1
75.54517	2.8
79.05490	21.2
81.03407	9.4
81.07060	27.1
83.04974	6.7
85.02907	3.9
85.06531	7.0
91.05474	45.5
93.07043	28.4
95.04948	19.2
95.08597	18.2
97.02876	10.3
97.06513	11.9
103.05440	4.2
105.06306	4.1
105.07027	67.9
107.04932	6.7
107.08596	63.7
109.06544	15.1
109.10114	5.2
111.04411	5.3
111.08100	3.2
115.05445	8.8
116.06262	4.8
117.07025	18.1
119.04925	12.9
119.08572	31.5
120.08128	5.0
121.06494	10.5
121.10143	9.3
121.88110	2.9
123.04384	5.4
123.08061	10.1
127.03972	3.3
128.06232	6.5
129.07018	27.5
130.07776	3.4
131.04958	3.7
131.08586	40.5
133.06479	14.3
133.10138	79.8
135.04410	4.3
135.08037	7.8
135.11694	3.8
137.05984	4.6
139.03928	4.1
141.06998	4.8
142.07771	10.8
143.08553	23.3
144.05667	2.9
145.06482	15.2
145.10123	42.8
147.04399	5.0
147.08034	22.5
147.11670	11.0
149.05954	4.4
149.09616	13.6
151.03860	3.3
151.07587	3.1
153.06892	3.4
155.08553	6.3
156.09351	14.2
157.06474	7.7
157.10132	22.1
158.07262	3.0
159.08041	17.2
159.11707	11.7
161.02934	3.9
161.05911	5.3
161.09630	8.0
161.13205	4.3
163.07555	8.0
167.07088	4.6
169.06485	4.7
169.10085	6.2
171.07986	3.6
171.11703	27.6
172.05165	4.3
173.05856	4.0
173.09612	27.0
173.13248	8.1
175.07481	15.4
175.11192	13.8
177.05479	5.4
177.09036	4.5
181.10052	13.4
184.08902	7.2
185.09618	6.8
187.07526	6.8
187.11211	12.2
189.05464	3.7
189.09085	6.3
189.12762	12.2
191.07103	6.7
191.10593	5.4
193.08632	6.4
199.07518	3.9
199.11174	53.1
201.08990	4.0
201.12715	4.4
203.06990	6.8
203.10677	22.7
204.07684	2.9
205.08574	17.0
205.12228	6.3
213.12477	2.7
215.10614	13.7
217.08794	3.7
217.12256	40.2
219.10085	5.8
221.08003	3.6
221.11583	4.0
227.10654	18.8
233.08160	3.2
233.11708	8.6
235.07616	6.7
235.13206	12.2
245.07870	3.9
245.11737	41.7
263.06912	10.4
263.09360	11.5
263.12796	100.0
263.23721	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	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
52.36943	1.6
55.01858	3.4
55.05496	5.1
56.05030	2.7
56.96523	1.8
57.03435	2.7
60.47259	1.8
67.05482	7.0
69.03438	8.5
69.07051	3.1
69.74432	10.8
70.06581	4.2
73.02869	2.0
79.05469	6.4
81.03420	2.6
81.07043	7.5
83.04975	7.3
85.02900	3.4
86.09706	2.8
91.05473	26.1
93.07032	11.0
95.04941	5.9
95.08594	5.8
97.06535	5.4
101.00896	3.7
103.05450	2.5
104.05315	2.3
105.07027	21.7
106.05856	1.8
107.04964	3.7
107.08625	9.3
109.06501	3.8
109.10088	1.9
115.05445	4.0
116.07056	2.7
117.06975	12.2
119.01871	5.5
119.08574	15.5
120.08102	4.3
121.06488	4.3
121.10126	3.5
123.04406	2.1
123.08049	5.8
125.05981	2.1
128.06232	14.3
129.07007	37.1
130.07784	3.8
130.29509	1.7
131.04892	3.8
131.08565	12.9
133.06506	8.3
133.10083	4.3
135.08003	5.8
137.05989	3.9
141.06967	7.8
142.07800	10.7
143.01904	5.3
143.08562	22.9
144.09380	2.1
145.06459	7.4
145.10114	22.2
147.04390	2.7
147.08025	15.3
147.11688	3.5
149.05937	2.9
153.05576	1.7
153.06953	4.3
154.07704	4.9
155.08546	10.5
156.09334	6.8
157.06535	11.9
157.10091	13.2
158.07266	3.5
159.08029	7.1
159.11674	7.8
161.02980	15.2
161.05986	3.9
161.09616	4.2
165.07031	2.9
165.09102	3.0
166.07718	2.4
167.08559	2.6
168.09279	4.2
169.10158	9.3
171.07999	5.3
171.11676	10.3
173.09615	19.7
173.13206	3.0
175.07532	18.6
175.11194	5.5
179.07042	2.3
179.08636	2.6
179.10478	1.9
181.10097	5.3
183.11723	14.0
185.06123	2.2
185.09554	6.4
187.11177	6.8
189.05412	4.4
189.06978	2.7
189.09010	2.8
189.12727	2.1
191.06949	2.2
193.08540	2.2
197.09569	6.9
199.11203	21.5
201.12735	32.0
203.04001	6.0
203.10661	6.3
205.08588	3.4
207.08159	2.2
215.10666	65.8
217.08609	5.6
217.12325	9.3
219.10149	7.9
227.10640	7.0
233.11696	9.9
235.13182	2.3
245.08014	2.8
245.11739	18.5
263.06888	4.7
263.09274	9.7
263.12769	100.0
264.12677	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05498	0.3
56.96566	2.9
57.03420	0.7
58.99849	0.5
61.02911	0.8
69.03416	1.1
69.54742	2.6
70.99842	0.4
71.04989	0.4
72.39650	0.3
73.02910	1.2
77.00896	1.1
81.03418	0.5
82.99799	1.7
84.04477	0.3
85.02909	2.3
86.99293	0.5
87.04445	0.4
89.00889	0.8
91.03952	0.3
94.99809	0.3
97.02875	2.3
98.97588	3.2
100.99141	0.5
101.00876	16.6
102.02451	0.3
104.01311	0.4
105.00369	0.9
109.02887	0.7
110.97570	0.7
112.99126	1.2
113.00859	3.8
115.02411	0.8
116.98650	1.7
118.08655	4.8
119.01920	39.3
120.02026	0.8
121.01612	0.3
124.02431	0.6
127.02422	0.7
127.03912	0.4
128.98613	0.9
129.50040	0.3
131.00273	0.7
131.01904	20.6
133.03445	2.3
134.99689	0.7
137.02951	4.2
139.02409	0.6
142.03546	1.1
143.01894	33.6
144.01993	0.6
145.03455	5.7
146.09253	0.7
146.99631	0.7
147.03096	0.4
147.05020	0.3
149.01158	0.8
149.02948	3.3
154.03503	0.9
155.01888	11.6
155.03127	0.6
157.03464	4.2
158.99643	1.0
159.01318	0.4
159.05000	0.5
161.02953	100.0
162.03104	1.4
163.04497	0.9
165.00749	0.6
167.01898	0.5
173.02959	32.2
174.03128	0.6
175.02864	0.6
175.04518	2.4
177.00719	1.2
177.02222	0.3
178.04926	1.0
179.03989	3.3
184.04555	4.7
185.02956	5.5
187.04509	0.5
190.98642	0.7
191.04004	23.6
192.04225	0.4
196.04570	1.0
197.02928	1.4
199.83020	0.3
203.03998	15.7
208.99731	0.7
209.05026	0.7
214.05620	1.2
215.03961	1.0
219.01663	0.6
221.03271	0.8
221.05106	5.8
233.05048	1.9
239.06227	2.8
245.05093	1.5
249.08142	0.6
250.73885	0.4
263.01505	1.5
263.06128	32.2
264.06378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68708	0.4
56.96564	0.5
58.99845	0.8
69.03423	0.5
70.55553	1.2
70.99853	0.7
72.14486	0.4
77.00922	2.4
81.03397	0.6
82.99875	1.7
89.00893	1.2
95.01916	0.6
98.35628	0.4
100.52422	0.4
101.00882	14.2
104.47066	0.4
105.00360	0.4
107.01905	0.6
107.51062	0.4
113.00886	1.3
115.02438	1.3
119.01918	28.8
120.02021	0.5
127.02448	0.8
128.98590	0.5
131.01894	5.0
133.03444	1.0
135.01372	0.5
137.02026	0.5
137.02968	3.2
139.02408	1.5
142.03477	0.9
143.01889	22.7
145.03458	5.6
149.02898	0.5
155.01903	2.5
156.02676	0.4
157.03459	11.4
157.04759	0.6
159.01385	0.9
160.04636	0.4
161.02956	65.3
162.03110	1.1
163.04562	1.1
167.01895	0.8
173.02962	5.3
175.04501	3.3
179.04016	2.1
184.04556	2.6
185.02974	5.2
187.04543	1.4
191.04028	4.3
203.04010	25.3
206.01848	0.5
221.05064	9.1
222.05115	0.5
233.05061	0.5
239.06128	7.4
244.06639	0.9
245.04964	0.9
259.78986	0.4
263.06122	100.0
264.06308	2.6
281.07120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	12.3
70.06349	16.3
70.06754	11.0
98.97575	9.4
101.00896	21.6
113.00887	6.0
119.01923	54.8
124.89431	5.6
131.01921	20.6
133.03513	7.8
136.33626	5.2
143.01886	38.3
145.03545	8.8
155.01891	15.8
155.46645	5.1
161.02960	100.0
167.66928	7.1
173.02913	29.3
191.04025	23.3
203.04060	15.0
263.01721	20.9
263.06229	21.0
273.44522	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29449	0.9
50.56413	0.9
51.18686	1.1
56.96555	3.7
56.96971	0.9
61.02945	1.1
70.99847	1.1
71.62891	1.1
73.02911	1.7
81.03427	1.1
82.99863	1.2
85.02913	2.2
85.26185	0.9
87.04469	1.6
87.27150	0.9
89.00833	0.9
97.02921	1.7
98.97579	4.1
99.04497	1.1
101.00877	22.6
101.01490	1.8
113.00872	7.0
115.02454	1.2
116.98607	2.5
118.07966	0.7
118.08656	22.6
119.01926	49.0
124.03775	0.9
127.02436	1.4
128.27789	0.8
131.00191	1.8
131.01906	25.2
131.02837	1.6
132.01965	1.0
133.03502	4.0
137.02965	3.7
142.03490	1.4
143.01904	37.0
145.03439	6.7
146.09267	3.9
149.02957	3.1
155.01884	11.7
157.03421	4.5
158.99841	1.2
159.01248	1.3
161.02965	100.0
172.78677	1.1
173.02966	32.0
175.04591	3.3
177.00739	1.5
178.04869	1.8
179.03999	2.6
184.04553	4.4
185.02959	6.1
191.04024	23.3
197.02946	2.3
203.04013	14.6
203.05768	1.7
215.04166	1.6
221.03197	1.5
221.05084	5.9
233.05118	2.7
234.85994	1.0
239.06174	3.2
245.05141	2.3
263.01660	3.8
263.06134	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	262.2164
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05500	5.1
56.79805	3.4
58.06569	2.9
60.04512	9.7
67.05499	4.6
69.07049	5.9
70.06573	10.5
71.09542	5.1
71.09900	6.4
77.63193	2.7
79.05483	5.8
81.07059	21.8
82.06557	4.4
84.08123	5.3
91.05473	8.2
93.07014	14.1
95.08598	22.6
96.08121	6.3
105.07043	17.5
107.08601	17.7
108.08119	7.1
109.10185	14.5
109.10804	3.0
109.98196	3.2
110.09715	6.5
119.08580	20.4
121.10148	9.0
122.09681	3.6
123.11652	3.5
130.96251	2.7
133.10109	11.7
145.10088	10.7
147.11699	26.5
159.11673	4.8
161.13300	5.7
162.12808	3.4
175.14812	5.2
187.14841	5.1
203.17963	27.1
244.20615	4.0
262.21643	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	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
52.57908	0.3
53.56165	0.3
55.05503	0.9
57.07059	0.9
58.06598	9.7
65.11692	0.3
67.05481	1.4
69.07050	1.0
71.00024	1.0
79.05479	1.3
80.05841	0.5
81.07059	3.4
83.04977	0.6
84.04495	0.5
91.05479	2.0
93.07043	2.7
94.07363	0.5
95.04940	0.6
95.08600	3.4
96.08105	0.8
96.08965	0.3
97.06518	0.9
105.07032	3.9
106.07362	0.6
107.08562	2.6
108.08920	0.5
109.06519	0.3
109.10135	1.0
110.10461	0.4
111.08060	0.8
114.40911	0.3
117.06999	0.6
119.08582	2.6
121.06450	0.4
121.10128	1.4
123.11658	0.4
129.07053	0.4
131.08566	4.2
132.08829	0.7
133.10132	1.8
135.11682	0.5
136.91171	0.4
145.10124	6.8
146.10452	1.3
147.11671	2.0
149.13295	0.5
157.10126	1.2
159.11693	3.0
160.12096	0.8
161.13252	3.3
163.14790	0.4
171.11711	1.0
174.13713	0.4
187.14821	9.3
201.16386	0.4
202.16721	1.9
203.17952	1.2
205.15898	5.1
227.17863	2.0
233.19034	0.5
244.20609	6.3
247.11845	0.4
262.14395	1.9
262.21649	100.0
263.08417	0.3
263.22061	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	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.05498	0.3
57.07061	0.2
58.06600	9.6
66.92579	0.2
67.05494	0.7
69.07048	0.4
79.05497	0.4
81.07056	2.4
84.04490	0.3
91.05460	0.9
93.07040	2.0
95.08621	2.7
96.08138	0.5
97.06509	0.4
105.07008	2.6
107.08604	2.2
109.06507	0.3
109.10152	0.9
111.08081	0.6
117.06966	0.4
119.08586	1.6
121.10152	0.8
123.11730	0.3
131.08569	3.6
133.10138	1.2
135.11664	0.4
143.08562	0.6
145.10133	6.5
147.11693	1.4
157.10184	0.5
159.11688	3.0
161.13248	3.0
163.14796	0.5
171.11702	1.0
177.16469	0.3
185.13199	0.9
187.14828	8.9
188.15224	0.3
199.14828	0.4
202.27867	0.3
203.17999	0.4
205.15858	5.5
219.18196	0.2
227.17944	1.6
244.20624	6.7
246.11380	0.4
262.21658	100.0
263.08167	0.3
263.21957	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	262.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94210	0.5
53.57563	0.5
55.05497	1.4
58.06340	0.5
58.06595	8.4
67.05479	2.1
69.07057	1.2
69.45115	4.4
73.83558	0.4
75.22787	0.4
77.94101	0.5
79.05482	2.5
81.07054	4.5
82.07393	1.0
83.08605	0.8
91.05463	2.7
92.05753	0.6
93.07042	3.7
94.06497	0.5
94.07352	0.8
95.04937	0.9
95.08611	4.5
96.08114	1.7
96.08916	0.6
97.33765	0.5
103.05431	0.5
105.07013	4.5
106.07378	0.6
107.08591	3.0
107.76762	0.5
108.89095	0.5
109.10133	1.7
111.69193	0.4
117.07030	1.2
119.08579	4.5
120.08892	0.8
121.10136	3.7
123.11657	0.6
128.91779	0.5
131.08549	3.9
131.71085	0.5
132.08899	1.0
133.10078	2.1
135.11656	0.8
143.08499	0.8
145.10127	6.2
146.10408	1.8
147.11659	2.7
149.09610	0.6
152.02463	0.5
157.10098	1.5
159.11661	2.4
160.11972	2.0
161.13290	2.7
163.14742	0.6
171.11700	2.6
174.13618	0.5
185.13321	1.0
187.14815	6.6
201.16467	0.5
202.16718	2.6
203.17885	1.8
205.15831	3.9
227.17946	3.3
244.20589	6.4
246.11409	0.5
262.14249	1.9
262.21637	100.0
263.22043	2.4
276.69791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	3.5
55.01851	1.9
55.05507	14.9
55.42000	1.1
57.03420	1.9
57.07076	9.3
57.15535	1.2
67.05501	42.4
67.38661	1.1
69.07066	13.0
71.04984	1.7
71.08625	3.6
71.55873	2.2
77.03964	1.4
79.05491	54.3
81.07053	48.9
83.04982	3.3
83.08620	7.4
85.06527	5.3
85.10169	2.0
91.04903	1.5
91.05479	38.0
93.07037	75.9
95.04993	5.7
95.08602	39.5
97.06518	11.2
97.10146	4.0
99.08060	3.0
101.02410	1.1
105.07024	27.0
107.08590	50.4
109.06497	5.6
109.10150	15.5
111.08048	4.4
113.09627	1.8
117.07035	10.9
119.08585	20.8
121.06538	1.7
121.10130	39.3
123.08044	4.2
123.11683	7.1
125.09663	1.4
129.07039	1.5
131.08553	31.7
133.10115	21.0
135.08066	2.5
135.11688	29.1
137.09631	2.8
145.09058	1.8
145.10123	29.4
147.11665	15.6
149.09567	3.8
149.13245	20.9
151.11169	1.8
159.11684	19.3
161.13246	15.6
163.11221	1.8
163.14812	15.6
173.13246	18.7
175.14812	6.6
177.12683	1.5
177.16382	4.7
179.14337	2.3
187.14796	11.3
191.14352	1.5
191.40515	1.2
197.40660	1.7
201.16382	8.2
203.17900	2.2
215.17896	2.6
217.19501	4.9
222.11148	1.3
231.11557	1.9
233.22612	1.4
243.21072	58.6
244.21585	1.7
261.07288	1.2
261.11349	1.8
261.22125	100.0
262.14383	3.9
262.22339	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	262.1801
Annotation	Lycoposerramine C
Peak:m/z	Relative Intensity
53.03934	1.8
55.05500	4.7
60.04512	5.5
61.31905	1.4
62.67616	1.3
67.05483	3.2
68.05009	2.3
69.07051	3.8
70.06596	1.7
71.37585	2.5
71.37897	1.6
72.04502	6.4
79.05491	5.1
80.04994	2.9
81.07076	7.9
86.06052	23.1
87.42056	1.4
91.05486	10.9
93.07041	10.9
94.06551	4.6
95.04996	2.2
95.08598	5.9
97.06516	1.6
98.06047	4.1
100.03971	14.6
105.07031	28.9
107.08601	11.7
108.08105	2.6
109.06530	2.2
109.10191	2.2
111.60342	1.5
117.07005	6.3
119.04948	1.5
119.08571	32.7
120.08093	2.0
121.10142	5.5
122.09660	2.2
123.08057	2.1
123.11713	1.8
128.06207	4.1
128.07080	7.7
129.06973	5.6
131.08548	6.9
133.06494	1.9
133.10103	12.4
134.09637	6.3
135.08032	3.0
135.11678	6.3
142.07796	5.4
143.08548	26.4
144.09335	2.6
145.10083	7.2
147.07997	3.5
147.11681	42.5
149.13275	2.4
152.10709	3.7
156.09357	4.1
157.10124	20.7
159.11702	12.2
160.11153	2.9
161.09543	7.2
161.13235	12.2
163.14795	1.6
170.10892	10.0
173.13283	2.7
175.11150	3.5
175.14796	11.7
185.13249	100.0
186.13551	2.0
202.15863	29.3
203.14285	57.3
204.14635	1.6
220.16940	67.7
244.16962	28.4
247.14487	2.6
262.18033	94.8
262.25333	6.6
263.05551	1.6
263.18277	2.5
279.40927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02363	0.9
53.03931	3.1
55.01867	1.3
55.05507	15.6
57.03434	0.8
57.07066	4.7
64.73346	0.8
65.03928	1.7
67.05500	47.5
68.86434	0.8
69.07068	14.7
70.89969	2.8
71.04964	2.2
71.08614	2.1
77.03899	0.9
79.05490	62.3
81.07053	55.5
82.67982	0.8
83.04982	1.1
83.08613	8.5
85.06558	3.8
91.05476	32.7
93.07040	84.9
94.07333	0.9
95.04962	6.6
95.08601	44.3
97.06525	4.4
97.10159	3.9
99.08097	4.2
102.23708	0.7
105.04531	1.3
105.07030	22.8
107.08588	55.9
107.49055	0.8
109.06509	2.8
109.09460	1.3
109.10158	20.6
110.67355	0.8
111.08109	4.2
113.09622	2.0
117.07001	9.1
119.07777	1.3
119.08573	18.1
121.10137	49.9
123.08018	1.3
123.11713	5.7
129.06990	1.2
130.07800	1.4
131.08563	22.8
132.50426	0.7
133.10124	15.7
135.11688	37.8
137.09622	2.3
137.13249	2.2
143.08592	1.4
144.09308	0.9
145.10110	23.6
147.11671	13.8
149.09567	0.7
149.13249	31.4
151.11224	1.1
151.14709	1.3
153.12743	1.1
157.10146	1.0
159.11697	16.0
161.13234	13.8
163.14809	23.4
165.12694	1.7
173.13255	13.7
175.14771	4.7
177.16399	4.5
179.14305	2.4
187.14816	7.0
189.16301	1.0
201.16368	11.3
203.18159	1.0
203.62126	0.8
205.15923	0.7
215.17975	1.8
217.19518	1.6
219.17464	0.9
233.22740	1.7
243.21068	40.4
261.22131	100.0
262.14404	0.8
262.22452	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01858	1.1
55.05260	1.1
55.05508	15.0
57.03437	1.5
57.07072	5.9
58.95788	0.7
61.71819	0.7
62.72164	0.6
65.03922	1.8
67.05502	47.3
69.06715	1.1
69.07065	14.7
69.56706	5.8
71.04984	2.4
71.08610	1.4
71.49705	0.6
77.03886	1.2
77.38425	0.6
79.05489	60.8
80.05807	1.2
81.03433	0.7
81.07054	52.9
83.04992	1.3
83.08611	6.7
85.06546	3.7
85.10184	0.8
91.04893	1.0
91.05478	32.8
93.07040	82.6
94.07376	1.5
95.04974	5.5
95.08605	39.3
97.06523	3.7
97.10140	3.6
99.08092	4.1
105.04539	1.7
105.07026	21.7
105.57088	0.6
107.08588	53.8
109.06515	2.6
109.10157	16.2
111.08075	3.4
113.09681	0.9
115.05434	1.1
117.07026	7.8
119.08582	18.7
121.10140	48.2
122.10455	0.8
123.08096	1.9
123.11714	5.3
125.09620	1.8
129.07005	0.9
131.08569	17.5
132.08908	1.0
133.10130	15.7
135.08104	0.9
135.11685	36.4
137.09634	2.1
137.13242	1.9
140.40845	0.7
143.08534	0.8
145.10120	18.4
147.11693	13.7
149.09666	1.5
149.13251	29.0
150.13553	0.9
151.11209	1.7
153.12785	0.9
159.11684	14.9
161.13251	12.6
163.11101	1.2
163.14812	17.9
165.05502	0.7
165.12730	0.8
171.11595	0.9
173.13269	11.5
175.14824	4.1
177.16376	5.6
179.14304	2.0
187.14819	7.1
189.16470	1.8
191.14259	0.8
201.16383	7.7
205.15891	0.7
215.17990	2.8
219.17500	1.1
243.21095	34.5
244.21310	1.2
253.60173	0.7
261.22159	100.0
262.14401	1.0
262.22443	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10125	0.6
53.03949	3.5
54.51236	0.6
55.05259	1.1
55.05505	13.5
56.26246	0.6
57.03429	1.5
57.07075	4.9
65.03913	1.9
67.05502	43.7
69.07064	15.0
70.15532	1.2
70.15952	2.0
71.04984	2.3
71.08627	1.3
72.91606	0.6
77.03945	0.8
79.05489	61.8
80.05811	0.7
81.07053	52.9
82.99072	0.8
83.04939	1.6
83.08612	7.9
85.06548	3.8
91.05476	32.6
93.07041	82.2
95.04973	6.3
95.08602	38.8
97.06522	4.5
97.10170	1.7
99.08076	4.2
105.04498	1.1
105.06296	0.9
105.07021	21.4
107.08589	56.2
109.06507	2.8
109.10155	15.9
110.75011	0.6
111.08060	2.8
113.09645	2.3
117.07011	9.3
119.07809	0.6
119.08575	16.9
121.10140	46.1
123.08080	1.0
123.11734	5.0
125.09582	1.7
131.08566	17.7
133.10130	14.5
135.11687	37.2
137.09566	2.5
137.13286	1.5
145.10115	18.3
147.11682	12.5
149.09654	0.9
149.13249	31.1
151.11150	0.9
151.14799	1.1
153.12790	0.8
155.48079	0.7
157.10057	0.7
159.11687	14.1
161.13252	13.5
163.11217	1.1
163.14813	19.9
163.16103	1.4
165.12730	1.2
173.13264	11.3
175.14886	4.9
177.12662	1.0
177.16408	5.2
179.14326	2.3
187.14824	7.2
189.16325	1.4
191.14223	0.9
201.16309	5.2
215.17996	1.2
219.17516	1.6
232.09395	0.7
233.22728	1.2
243.03960	0.6
243.21074	27.8
244.21602	1.0
261.22134	100.0
262.22333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	2.7
55.01852	1.5
55.05259	1.1
55.05506	14.6
57.03412	1.5
57.07066	4.6
60.53607	0.6
65.03931	1.2
67.05499	43.0
68.05807	1.0
69.06721	0.9
69.07062	14.0
71.04966	2.3
71.08621	1.8
77.03928	1.1
79.05488	57.9
81.07049	45.3
83.04934	1.1
83.08614	7.4
85.06527	3.1
91.04900	0.9
91.05476	30.8
93.07037	76.6
95.04944	5.7
95.08599	37.7
97.06541	4.0
97.10143	2.8
99.08079	4.0
105.04517	0.8
105.07022	20.2
107.08585	49.9
108.08920	1.1
109.06495	2.2
109.10149	15.7
111.08064	3.5
113.09660	1.9
117.06994	7.4
119.08569	17.4
121.10135	43.7
123.08060	2.2
123.11696	4.4
125.09639	1.0
131.08562	14.6
133.10114	14.1
135.11684	33.9
136.12012	0.6
137.09599	1.2
137.13286	1.3
139.11145	1.3
143.29883	0.7
145.10120	15.9
146.10472	0.7
147.11681	10.8
149.09604	0.9
149.13251	27.7
151.11214	0.9
151.14783	0.8
153.12700	0.9
156.54147	0.8
159.10448	0.9
159.11690	13.6
161.13237	11.8
163.14804	20.1
164.15031	0.9
165.12740	2.0
173.13252	11.6
175.14838	4.3
177.16391	6.4
179.14369	2.0
187.14792	7.8
189.16316	0.8
194.66667	0.7
195.84947	0.7
196.00774	0.7
201.16341	6.9
203.18015	1.1
205.15953	1.3
215.17886	1.6
217.19408	0.7
222.52162	0.7
233.22623	1.4
243.21066	30.8
261.22131	100.0
262.22308	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.05504	17.0
57.03429	1.4
57.07076	6.0
64.08739	0.8
65.03945	1.0
65.54477	0.9
67.05499	50.3
69.06708	1.3
69.07059	15.1
69.80348	5.0
71.04964	3.0
71.08625	1.7
79.05486	64.5
81.07049	55.5
83.04955	1.7
83.08608	8.5
85.06519	4.7
89.78178	0.8
91.05473	37.2
93.07034	88.4
94.07341	1.3
95.04974	6.4
95.08598	37.2
97.06523	4.7
97.10155	2.5
99.08068	3.8
103.05407	1.0
105.07015	26.5
107.08584	56.8
109.06485	3.0
109.10152	15.8
110.10518	0.9
111.08060	2.8
111.11694	0.9
113.09620	2.0
115.05460	1.0
117.07001	9.2
119.07774	1.2
119.08572	17.6
121.10131	50.1
123.08043	1.9
123.11706	5.2
129.07002	1.3
131.08563	17.9
133.10114	14.8
135.08093	1.2
135.11681	37.4
137.09660	2.0
137.13184	0.9
145.09019	1.6
145.10115	22.6
147.11684	12.2
149.09555	1.6
149.13240	28.3
151.11150	1.2
159.11687	14.4
161.13234	11.5
163.11185	1.4
163.14809	21.3
165.12709	1.5
173.13248	12.5
175.14801	5.8
177.16389	5.4
179.14288	2.5
187.14803	6.6
187.47646	0.8
189.16402	1.0
193.29146	0.8
201.16362	8.7
204.84444	0.9
215.17957	1.7
217.19516	1.0
219.17371	2.4
231.11662	0.9
233.22639	1.5
239.21606	0.8
243.21080	31.9
244.21269	1.0
246.13954	1.0
261.22116	100.0
262.22488	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03939	2.8
53.98042	0.6
55.01860	0.7
55.05507	16.8
55.86984	0.6
57.03430	1.8
57.07073	4.0
64.44792	0.6
65.03935	2.0
67.05501	47.9
69.07065	15.8
70.23283	3.1
71.04991	3.5
71.08624	1.7
77.03918	1.3
79.05488	67.9
81.07053	53.5
83.04973	1.4
83.08614	8.8
85.06544	4.1
91.05476	34.6
92.05786	1.0
93.07038	89.0
94.07391	1.1
95.04962	5.7
95.08601	41.4
97.06500	4.0
97.10148	2.8
99.08086	4.4
105.04504	1.0
105.07026	22.7
107.04945	0.7
107.08587	57.9
108.08993	0.6
109.06506	2.0
109.10149	17.1
111.08068	2.7
113.09646	1.6
117.07003	8.3
119.06052	0.9
119.08569	17.8
119.80379	0.6
121.10135	44.5
122.10528	0.8
123.08051	2.2
123.11717	5.4
125.09605	1.3
129.07001	0.9
130.07806	1.0
131.08554	17.1
133.10120	14.9
135.11684	38.0
136.12006	0.7
137.09602	2.4
137.13277	1.3
139.11156	0.7
143.08554	0.7
145.10109	19.4
147.11684	12.4
147.12782	1.3
149.13251	35.2
150.13666	0.6
151.11154	0.9
151.14793	1.1
153.12683	1.0
159.11693	12.6
161.13234	14.8
163.14807	21.0
165.12750	1.9
173.13251	11.9
173.14644	0.9
175.14815	6.6
177.12700	1.0
177.16316	5.7
177.58868	0.6
179.14281	2.2
187.14801	8.5
189.16425	0.8
200.18083	0.6
200.54793	0.6
201.16379	6.8
203.18031	0.7
205.15758	1.0
215.17973	1.2
217.19423	1.4
219.17517	1.0
233.22807	0.7
236.51021	0.6
243.21077	33.1
243.86092	0.6
244.21451	1.5
261.22131	100.0
262.22479	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	4.8
55.01862	1.8
55.05507	16.7
57.03418	0.9
57.07072	6.7
65.03927	2.9
67.05499	47.3
69.07062	13.1
71.04974	3.5
71.08620	3.7
71.64877	1.4
77.03893	1.2
79.05487	73.2
81.07050	50.7
83.04974	1.1
83.08613	8.5
85.06519	3.7
85.10162	0.9
91.04877	1.2
91.05472	42.3
93.07038	100.0
94.07350	1.0
95.04965	8.4
95.08603	43.3
95.85500	0.9
97.06524	7.1
97.10161	2.1
99.08073	3.8
105.04500	1.5
105.07021	33.8
107.04996	1.2
107.08588	57.8
108.08949	1.0
109.06522	2.9
109.10147	15.3
111.08080	3.5
113.09617	1.7
115.05438	1.1
116.06258	1.1
117.07011	14.1
119.08575	23.5
121.10139	44.5
122.10497	0.8
123.08057	2.8
123.11671	3.4
125.09656	1.0
128.06212	1.2
129.06973	3.1
130.07738	2.2
131.08560	27.9
133.10127	15.1
135.08049	2.3
135.10658	1.9
135.11682	31.2
137.09630	1.8
137.13220	1.2
143.08531	3.0
144.09315	2.0
145.10107	39.9
146.10738	1.0
147.11671	11.4
149.09619	2.4
149.13246	22.3
151.11159	1.2
151.14624	0.9
153.12668	0.8
157.10126	2.6
158.10825	1.1
159.08125	1.1
159.10423	1.8
159.11684	29.2
161.13258	11.6
163.14809	13.2
163.84898	0.8
165.12747	1.0
171.11658	1.5
173.13264	17.0
175.14841	4.5
177.12779	1.1
177.16420	5.4
185.13182	0.9
187.14807	6.5
201.16377	28.7
215.17906	1.8
217.19606	1.2
219.17490	4.9
233.22606	2.5
243.21071	28.3
261.03955	0.8
261.11224	1.8
261.18643	5.5
261.22122	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	261.185
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03933	2.5
55.05503	8.6
60.08318	2.1
64.69239	2.1
67.05502	25.4
69.07055	6.3
69.34492	8.7
69.34927	13.5
79.05490	29.3
81.07060	33.1
83.08627	2.9
91.05476	33.5
93.07043	46.1
95.04975	4.6
95.08604	56.5
97.06554	3.1
97.10141	2.2
97.62289	2.2
105.06378	4.1
105.07037	54.2
107.08592	44.7
109.10150	9.8
117.07037	19.9
119.08587	22.5
121.10147	18.5
129.07028	3.4
130.07802	6.1
131.08562	43.4
133.10130	29.2
135.11707	7.9
143.08597	4.9
144.09358	5.4
145.10121	75.1
146.10919	9.5
147.11714	6.2
149.13301	5.7
159.11699	39.3
163.14862	6.0
171.37872	2.1
173.13293	9.3
201.16386	100.0
231.11755	3.1
243.21146	8.0
248.20810	2.1
256.82190	2.3
261.10977	2.8
261.18506	9.1
261.22171	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	261.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03927	2.6
55.01867	0.7
55.05507	12.3
57.03424	1.9
57.07069	5.5
63.48057	0.7
65.03928	2.2
67.05502	45.3
67.43310	0.7
69.06713	1.1
69.07064	14.0
71.04976	2.2
71.06771	1.9
71.08611	0.8
77.03873	0.7
79.05489	60.7
81.07052	53.4
83.04984	1.4
83.08614	7.4
85.06557	4.0
91.05475	32.4
93.07039	81.9
94.07362	1.0
95.04972	5.7
95.08601	47.1
96.08936	0.8
97.06524	4.3
97.10151	3.2
99.08077	3.7
105.04496	1.2
105.07023	35.1
107.08589	59.3
109.06493	2.5
109.10149	20.7
111.08067	4.2
111.11744	0.7
113.09655	1.1
115.05408	0.8
117.06998	11.8
119.08580	20.3
119.09438	1.2
121.10136	50.0
123.08044	1.7
123.11685	6.1
125.09621	1.1
129.06995	1.9
130.07771	2.1
131.08560	29.2
133.10130	19.9
135.08073	1.0
135.11682	35.8
137.09575	2.1
137.13260	1.4
139.11166	1.0
143.08554	2.0
144.09300	1.0
145.10115	40.1
146.10918	3.5
147.11685	12.9
149.09570	1.4
149.13246	28.2
151.11159	1.1
151.14853	0.8
157.10144	2.0
159.07948	0.8
159.11687	21.6
161.13239	12.9
163.11209	1.4
163.13611	0.9
163.14807	25.3
165.05508	0.7
165.12758	1.2
171.11685	1.2
173.11832	0.5
173.13257	13.8
175.14856	5.4
177.12762	1.1
177.16360	6.4
179.14265	2.4
187.14798	8.7
191.14354	0.8
201.16368	30.8
205.15880	0.7
215.17914	1.7
217.19612	0.9
219.17462	1.1
228.04181	0.7
231.11855	0.8
233.22559	1.7
243.21065	36.1
244.21173	0.7
261.07568	0.9
261.11203	2.1
261.16245	1.9
261.22125	100.0
262.14301	1.6
262.22522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.5
57.02326	1.7
57.07068	2.7
67.05502	14.1
69.07052	6.9
71.57014	1.8
71.64496	2.7
79.05495	14.2
81.07059	19.8
83.08640	2.3
91.05485	22.3
93.07034	28.9
95.04959	5.6
95.08607	21.7
97.06523	3.8
103.05426	2.1
105.07026	34.7
107.08591	28.2
107.36201	1.8
109.06543	5.1
109.10143	8.2
113.54610	1.6
113.62505	2.2
115.05412	2.6
117.07006	12.7
119.08578	24.6
121.10129	24.6
129.06976	4.1
130.07756	5.9
131.08565	30.8
133.10133	16.2
135.11696	7.9
143.08551	4.4
144.09337	3.1
145.10126	63.0
145.93074	1.7
146.10776	1.8
147.11665	5.1
149.09666	3.2
149.13237	3.7
157.10107	7.3
159.11700	49.9
161.13248	7.3
171.11687	4.4
172.12544	1.7
173.13289	15.7
201.16382	100.0
202.16695	3.0
219.17450	9.1
243.17422	5.0
246.11398	3.0
246.14136	1.9
261.11230	4.9
261.18063	13.8
261.20331	6.0
261.22314	6.4
262.14417	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	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03937	1.4
55.01865	2.5
55.05511	5.3
57.07055	2.3
58.00639	1.3
60.98511	1.1
62.32589	1.2
66.85871	1.3
67.05499	11.2
69.07082	6.6
71.65713	1.3
79.05484	10.1
81.07052	22.4
83.08617	1.7
85.06554	1.2
91.05471	21.3
91.06002	2.1
93.07037	20.5
93.42751	1.3
95.04960	4.3
95.08598	59.4
97.06492	6.5
103.05450	1.3
105.07024	39.7
107.04944	2.2
107.07854	2.3
107.08584	40.9
109.06526	1.4
109.10138	9.3
111.72003	1.3
115.05437	3.9
117.07011	17.5
119.04958	1.7
119.08569	25.1
121.06468	2.9
121.10121	11.4
123.04400	2.2
123.08118	1.4
128.06184	6.5
129.07021	12.0
130.07787	6.8
131.08553	52.1
133.06554	1.2
133.10129	16.8
135.08058	1.5
141.07011	4.4
142.07791	5.2
143.08536	17.1
144.09363	7.6
145.06465	2.9
145.10109	93.4
146.10812	1.9
147.11679	4.7
149.09593	1.4
149.13306	1.6
153.06953	3.1
155.08533	7.7
156.09308	3.9
157.10101	15.0
158.10910	3.5
159.08041	2.7
159.11676	59.1
161.13290	3.0
165.04253	1.4
165.05487	5.5
168.09338	5.1
169.10074	6.0
170.10956	1.4
171.08020	2.3
171.11699	4.4
173.05988	1.6
173.09615	4.4
173.13255	19.8
175.07643	2.1
175.11275	1.5
183.11679	12.5
185.09665	2.1
185.13248	16.7
186.14091	1.9
187.07347	1.8
187.11145	4.4
197.09503	2.6
199.11130	5.5
199.93861	1.3
201.09082	3.0
201.12685	6.2
201.16364	100.0
202.16742	2.7
203.07043	1.6
203.10680	1.6
215.10699	4.6
219.10204	1.4
219.17424	6.1
227.81621	1.5
229.12234	7.0
231.13853	2.3
243.17325	2.0
261.07727	1.9
261.11179	13.7
261.14935	5.3
261.18509	36.4
261.21631	1.8
261.26199	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	261.1847
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
51.02808	1.3
53.03932	1.1
55.05498	4.9
57.07072	1.4
64.20193	1.0
67.05502	9.4
69.07068	3.1
71.26588	2.2
71.26922	1.2
79.05484	11.4
81.07049	19.8
91.05482	17.6
93.07034	24.6
95.04961	2.0
95.08598	29.5
95.38014	1.1
105.07023	40.2
106.05294	1.0
107.08588	24.9
107.09279	2.4
109.06538	1.6
109.10152	7.2
109.31586	1.0
117.07006	11.0
119.08566	17.6
121.10143	8.9
126.73846	1.1
129.07021	2.7
130.07799	3.8
131.08563	30.8
133.10124	13.4
135.11739	2.6
143.08545	3.8
144.09370	2.1
145.10109	62.6
146.10881	4.7
147.11685	3.4
157.10098	2.5
159.11681	41.2
161.13284	1.2
163.14738	1.2
171.11711	1.5
173.13261	8.5
186.14064	1.6
198.47697	1.1
201.16373	100.0
202.16788	1.9
217.26266	1.3
219.17415	2.8
224.14455	1.0
243.21121	1.9
261.18481	19.9
261.22101	4.2
262.21695	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05511	3.8
57.03417	0.6
57.07071	1.6
60.87053	0.7
67.05177	0.7
67.05505	9.9
69.07061	6.6
71.04973	0.8
71.64699	1.2
79.05489	10.2
81.06570	1.4
81.07053	28.0
83.08617	2.2
91.05472	14.9
93.07039	18.0
95.04955	3.1
95.08603	24.3
97.06532	2.6
103.05487	1.1
105.07026	36.0
105.61028	0.8
107.04933	0.9
107.08588	28.4
109.06483	2.1
109.10142	5.0
111.08054	0.9
115.05486	2.4
116.06219	2.2
117.07008	19.5
119.08572	26.8
121.10132	15.0
123.08069	1.9
128.06189	1.8
129.07018	7.7
130.07788	7.3
131.08559	44.2
132.09361	0.8
133.10139	11.7
135.11665	1.8
136.23778	0.7
137.09586	1.4
137.46608	0.7
141.06963	0.9
142.07738	2.5
143.08572	6.9
144.09346	12.9
145.10118	75.6
146.10881	1.7
147.08057	0.9
147.11693	4.9
149.13246	1.0
155.08517	1.2
157.10127	7.7
158.10883	2.9
159.11687	100.0
160.12105	2.1
161.09615	1.1
161.13232	4.6
165.05502	2.7
171.11653	2.6
172.12430	2.4
173.09566	1.4
173.13275	14.9
183.94073	0.8
186.13986	1.1
187.11343	1.0
196.67351	0.8
199.14766	1.5
201.16379	88.9
202.16710	1.5
203.14330	4.0
215.10678	0.9
215.17961	1.2
219.17433	4.5
231.11758	1.3
243.10208	0.9
243.17458	1.2
246.13976	1.5
251.93167	0.8
261.11188	2.9
261.18533	18.5
262.14362	1.2
262.21719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03942	3.8
55.05510	14.1
57.07061	7.8
65.54616	2.1
65.66474	2.4
66.74490	2.3
67.05161	3.6
67.05503	48.5
68.17928	1.8
69.07070	16.8
71.04989	3.1
71.25861	5.6
79.05047	4.9
79.05492	64.6
81.07052	59.6
83.08612	14.6
84.64398	2.0
85.06535	5.7
87.94801	2.6
91.05467	36.5
93.07039	91.1
95.04976	10.0
95.08601	51.1
97.06532	6.6
97.10167	2.6
99.08091	3.5
105.07021	46.4
107.08587	73.7
109.06515	4.5
109.10146	25.4
111.08091	6.2
117.07016	22.3
119.08559	38.5
121.06499	3.3
121.10134	63.8
123.11710	5.8
123.68768	2.0
129.06976	4.5
130.07802	6.5
131.07588	3.2
131.08562	40.6
133.10123	45.0
135.08047	4.1
135.11667	37.6
137.09647	3.4
143.08597	9.0
144.09314	5.3
145.10117	89.7
147.11664	17.4
149.09633	3.8
149.13234	27.8
157.10161	4.6
159.11685	58.4
161.13287	17.8
163.11182	5.3
163.14796	18.6
171.11789	2.9
173.13290	28.3
175.14845	12.5
177.16273	5.6
179.82231	2.2
185.13266	3.1
187.14825	5.5
201.16380	100.0
203.14323	3.4
215.17972	2.4
219.17438	41.4
243.17424	6.0
243.21101	25.2
261.03873	3.0
261.11386	3.7
261.18576	28.1
261.22153	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05495	3.3
57.07068	1.4
60.71469	0.7
64.17175	0.8
67.05504	6.2
69.07060	4.3
70.23444	3.4
72.24453	0.8
72.48828	0.9
79.05489	7.4
81.07051	18.3
83.08594	1.4
91.05480	12.6
93.07042	14.4
95.04964	1.3
95.08601	16.0
97.06526	0.9
99.57121	0.8
103.05468	1.2
105.07022	33.7
107.08591	20.3
109.06490	2.2
109.10139	5.7
115.05404	1.2
116.06240	1.5
117.07007	13.3
119.08577	24.6
121.10139	11.5
123.08035	1.1
128.06256	1.7
129.07011	5.3
130.07808	5.0
131.08563	34.1
133.10133	18.9
135.08046	1.1
135.11668	3.0
142.07761	1.9
143.08545	6.1
144.09335	10.7
145.10117	58.8
146.10840	1.5
147.11600	3.9
149.13155	0.9
157.10132	6.1
158.10899	2.4
159.11687	89.5
160.12151	1.6
161.13229	3.3
171.03101	1.2
171.11667	2.6
172.12427	2.7
173.13261	14.6
174.13487	0.8
175.14883	1.5
185.13231	1.1
186.14005	1.6
201.16379	100.0
202.16615	1.0
203.14330	1.8
219.17400	6.2
243.17435	2.5
261.11249	1.8
261.18423	12.4
262.14346	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	261.1486
Annotation	Sericenin
Peak:m/z	Relative Intensity
51.78465	1.3
53.03957	1.6
55.01863	4.5
55.05511	6.0
65.03931	1.7
67.05508	4.3
69.07056	2.5
71.63508	3.0
73.02898	2.3
79.05493	7.9
81.07056	8.6
89.60454	1.3
91.05475	14.2
93.07030	8.0
95.04957	3.5
95.08591	5.0
97.06506	2.1
105.07036	26.8
105.36423	1.5
107.04991	1.6
107.08590	8.7
109.06513	1.7
115.05441	5.4
116.06252	1.8
117.07037	12.6
119.08574	11.7
121.06535	3.6
121.10138	2.2
123.08060	1.9
128.06209	26.2
129.07014	33.3
130.07796	4.5
131.08577	25.5
133.06546	2.2
133.10114	3.4
141.06987	15.7
142.07788	34.2
143.08559	67.6
144.09360	12.5
145.06465	13.6
145.10133	17.3
146.07300	1.8
147.04387	2.1
147.07962	3.0
149.05984	1.8
151.07561	1.7
153.06999	13.9
154.07784	5.4
155.08540	34.0
156.09355	13.6
157.06522	2.3
157.10129	68.2
158.07271	2.9
158.10901	2.9
159.04427	2.0
159.08104	11.4
159.11699	23.5
161.05911	1.8
165.05515	3.9
165.07033	1.6
167.08559	3.3
168.09344	33.7
168.54608	1.3
169.06589	1.3
169.10130	16.7
170.10953	9.8
171.08070	3.3
171.11685	14.0
172.08780	1.9
172.12126	1.2
173.06039	7.5
173.09657	7.2
173.13269	10.2
175.11215	11.9
181.06488	1.7
181.10136	3.9
183.11696	67.8
184.08904	1.8
185.13257	100.0
185.42632	1.3
187.07530	5.5
187.11174	20.8
187.14722	1.8
189.12750	1.7
193.10062	2.4
196.08838	3.2
199.11179	27.8
201.09113	3.8
201.12752	24.1
201.16425	3.4
203.10735	1.9
211.11226	12.9
215.10811	2.3
215.14240	8.2
219.10155	1.7
229.12234	63.2
231.13788	25.6
240.07462	1.4
243.10226	2.2
243.13887	2.4
261.04150	1.7
261.11319	10.5
261.14883	40.4
261.18549	2.2
261.26178	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	261.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05510	2.8
56.05023	1.4
65.03951	1.9
67.05499	5.2
69.03425	1.9
69.07056	2.7
70.15408	5.0
70.15816	3.1
78.19508	1.2
79.05506	9.9
81.07056	23.7
88.07623	2.7
91.05471	11.2
93.07040	14.2
95.04960	3.6
95.08598	4.7
97.06525	4.8
98.20817	1.5
105.07037	11.9
107.04935	2.6
107.08585	10.4
109.06499	8.1
115.05444	2.9
117.07018	7.7
117.24251	1.5
119.04957	2.4
119.08555	7.2
121.06507	5.6
121.10159	2.3
123.04426	1.6
127.03935	1.8
128.06192	11.6
129.07018	9.3
130.07773	2.3
131.04893	1.6
131.08566	19.7
133.06631	1.5
133.10143	3.3
135.11679	7.1
141.06975	6.8
142.07791	6.3
143.08556	27.5
144.09363	1.7
145.06453	8.0
145.10127	10.8
147.04465	1.7
147.08096	1.5
147.11742	2.6
149.05971	2.8
153.06984	3.9
154.07777	2.8
155.08528	9.8
156.09372	2.0
157.10158	8.8
158.07318	1.6
158.10919	2.4
159.04352	4.5
159.08054	11.2
159.11697	11.2
165.05475	6.5
168.09320	7.2
169.10146	1.9
171.08043	5.2
173.05968	8.6
173.09625	4.3
173.13286	12.7
175.11179	2.2
183.11697	28.1
185.09639	2.5
186.10378	2.6
187.07588	6.7
187.11169	9.6
193.10085	2.4
196.08804	2.6
200.08250	2.4
201.09096	3.1
201.12732	30.0
201.16402	2.3
203.10677	13.7
211.11171	9.5
229.12233	100.0
230.12459	2.0
243.13841	6.2
247.13420	1.5
248.73943	1.3
261.11264	4.5
261.14871	19.9
261.22565	3.5
262.23859	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1484
Annotation	Sericenin
Peak:m/z	Relative Intensity
55.01878	2.2
55.05510	2.8
56.05023	1.4
65.03951	1.9
67.05499	5.2
69.03425	1.9
69.07056	2.7
70.15408	5.0
70.15816	3.1
78.19508	1.2
79.05506	9.9
81.07056	23.7
88.07623	2.7
91.05471	11.2
93.07040	14.2
95.04960	3.6
95.08598	4.7
97.06525	4.8
98.20817	1.5
105.07037	11.9
107.04935	2.6
107.08585	10.4
109.06499	8.1
115.05444	2.9
117.07018	7.7
117.24251	1.5
119.04957	2.4
119.08555	7.2
121.06507	5.6
121.10159	2.3
123.04426	1.6
127.03935	1.8
128.06192	11.6
129.07018	9.3
130.07773	2.3
131.04893	1.6
131.08566	19.7
133.06631	1.5
133.10143	3.3
135.11679	7.1
141.06975	6.8
142.07791	6.3
143.08556	27.5
144.09363	1.7
145.06453	8.0
145.10127	10.8
147.04465	1.7
147.08096	1.5
147.11742	2.6
149.05971	2.8
153.06984	3.9
154.07777	2.8
155.08528	9.8
156.09372	2.0
157.10158	8.8
158.07318	1.6
158.10919	2.4
159.04352	4.5
159.08054	11.2
159.11697	11.2
165.05475	6.5
168.09320	7.2
169.10146	1.9
171.08043	5.2
173.05968	8.6
173.09625	4.3
173.13286	12.7
175.11179	2.2
183.11697	28.1
185.09639	2.5
186.10378	2.6
187.07588	6.7
187.11169	9.6
193.10085	2.4
196.08804	2.6
200.08250	2.4
201.09096	3.1
201.12732	30.0
201.16402	2.3
203.10677	13.7
211.11171	9.5
229.12233	100.0
230.12459	2.0
243.13841	6.2
247.13420	1.5
248.73943	1.3
261.11264	4.5
261.14871	19.9
261.22565	3.5
262.23859	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97087	0.2
56.96563	2.8
57.07058	0.2
57.55371	0.2
67.05492	0.2
70.59547	0.6
70.86560	0.2
71.95235	0.4
81.07025	0.2
84.95985	0.4
98.96934	0.4
98.97578	7.0
101.00865	1.4
102.96864	0.5
110.97598	0.4
116.98615	7.9
117.98947	0.2
118.98208	0.2
119.01916	9.2
120.01970	0.3
120.97897	0.6
128.98654	0.2
134.99646	6.5
135.99997	0.3
137.02951	3.2
138.98924	0.4
140.00209	0.3
140.98758	0.3
142.03459	0.3
146.99687	0.5
149.04865	0.3
153.00758	1.5
158.01257	0.4
158.99791	1.3
161.01196	0.4
161.02951	0.3
162.40906	0.2
170.99678	0.2
173.01208	0.4
176.02258	0.2
177.00943	16.9
178.01003	0.9
179.00690	0.8
181.70457	0.2
182.99861	0.5
189.00752	0.7
191.02307	0.2
195.01915	0.3
197.00783	0.2
200.02553	0.4
201.00812	1.5
201.02255	0.2
203.00641	0.2
212.02434	0.2
217.04059	2.6
218.03656	1.0
219.01990	22.5
220.02083	1.2
221.01764	3.9
221.44176	0.2
222.01938	0.4
225.00890	2.1
237.02809	0.9
237.98741	0.8
238.98381	0.3
240.54399	0.2
242.03510	0.5
243.01996	8.6
260.04523	0.4
261.03040	100.0
262.03137	5.0
263.03561	0.2
266.03586	0.7
272.97189	0.3
278.96890	0.6
279.00446	5.9
284.01642	0.2
284.04623	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05029	7.0
56.96569	6.7
57.03438	1.3
61.02902	1.2
67.05515	1.4
69.03432	2.3
69.07047	3.3
70.06570	3.4
70.22501	4.7
72.08155	2.7
81.03391	1.7
83.04994	1.5
83.06094	46.3
84.04500	60.2
84.08138	36.0
84.96018	2.8
85.02885	3.4
86.06007	1.1
86.09701	100.0
87.10065	1.2
90.05556	1.7
91.05487	1.5
93.07026	1.3
94.04185	2.6
95.04966	2.7
97.02892	2.0
98.06054	1.7
98.97562	4.0
101.07140	7.9
101.10819	1.5
103.53223	1.2
107.04953	1.6
116.98602	4.2
118.06535	1.3
119.01853	1.3
121.02834	1.2
121.41465	1.2
126.05487	1.7
128.98639	1.4
129.06569	4.6
129.10257	5.6
130.04942	1.2
130.06575	1.4
130.08661	2.9
132.10199	22.7
134.05992	1.2
134.99629	2.2
135.06776	12.5
140.03407	2.0
141.06589	1.9
143.11740	2.0
144.06526	1.5
146.99629	2.7
147.07619	3.3
147.11284	4.0
150.05646	1.1
152.10629	2.2
157.13382	13.6
158.99513	1.2
162.99100	1.3
164.04704	2.0
167.06902	2.4
171.11266	2.8
172.04308	2.3
177.00714	2.3
185.12863	3.3
189.00746	1.7
189.12318	2.0
196.14461	7.3
196.95912	1.9
197.12846	25.6
200.95465	4.6
213.98611	14.5
225.12360	3.2
233.04617	1.2
237.02824	2.5
242.04546	1.5
242.14983	58.4
242.96526	4.5
243.13396	26.7
243.15909	1.5
243.17082	2.8
243.42494	1.2
257.09747	1.3
260.07162	2.9
260.16086	1.5
260.19751	4.2
268.90350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	1.7
55.05260	0.7
55.05508	10.7
57.03423	2.2
57.07064	3.1
58.07401	0.5
62.06069	1.2
63.70183	0.5
65.03918	1.3
67.05501	22.4
69.07064	9.6
71.04978	1.8
71.08604	1.2
71.26043	1.4
79.05488	20.6
79.05953	0.8
81.07053	23.5
83.04964	1.0
83.08612	3.7
84.59905	0.4
85.06528	1.6
85.10181	0.5
89.03942	0.6
91.05475	43.8
92.05688	0.5
93.06460	1.0
93.07037	19.4
95.04961	3.1
95.08601	16.1
97.06525	9.1
97.10168	1.1
99.08076	1.9
103.05460	1.5
104.06219	0.5
105.07023	60.3
106.07334	0.5
107.04946	1.1
107.08591	11.1
109.06493	1.2
109.10142	4.2
111.04462	0.6
111.08064	1.3
113.09618	0.7
115.05428	1.9
117.07011	15.3
119.08574	44.0
120.08932	0.5
121.06513	1.0
121.10139	7.6
123.08077	0.9
123.11705	0.8
125.09583	0.6
128.06236	2.6
129.06996	8.4
130.07768	0.9
131.07565	1.0
131.08556	20.5
133.10121	37.0
135.04390	1.0
135.08043	1.5
135.11667	5.1
137.09615	1.2
139.11147	0.5
141.06955	1.4
142.07797	3.1
143.08551	11.2
144.09259	0.5
145.06493	0.5
145.10114	15.7
147.04231	0.6
147.11678	29.5
149.09605	1.6
149.13245	3.1
151.11169	0.8
155.08537	0.7
156.09380	0.9
157.10121	12.4
158.10722	0.5
159.11682	16.4
160.93764	0.5
161.02345	1.5
161.09602	1.3
161.13243	18.7
161.14590	1.0
163.03886	3.9
163.11174	1.3
167.08685	0.7
169.10094	1.1
170.10901	0.8
171.11684	10.9
173.02333	3.6
173.13251	9.1
175.11183	1.8
175.14815	8.2
177.12755	1.7
184.12448	0.9
185.09573	1.0
185.13243	8.5
187.14806	1.8
189.12785	1.3
189.16370	0.6
199.14803	12.1
201.16306	0.7
203.14233	0.9
204.02074	0.5
212.15712	0.5
213.16414	2.3
215.07001	3.2
215.17960	1.1
217.15865	1.6
217.19429	0.7
231.17493	0.9
231.21027	1.9
241.08629	0.5
241.19496	18.1
259.09628	3.1
259.20557	100.0
259.28189	12.2
260.20810	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05509	12.6
57.07060	3.9
67.05500	12.0
69.03399	2.5
69.07063	42.8
70.93678	5.0
71.04988	24.8
79.05475	7.6
81.07051	19.6
83.04966	3.5
83.08621	9.8
85.06541	23.1
91.05464	15.5
93.07040	17.6
95.04949	3.7
95.08607	26.5
97.06558	3.3
99.08088	4.4
105.03411	2.4
105.07032	34.9
107.08572	26.0
109.06514	9.8
109.10146	18.5
111.08076	12.1
117.06992	6.8
119.08578	52.1
121.10135	15.3
123.08057	3.8
123.11708	22.3
129.06996	3.5
130.07814	4.5
131.08562	18.7
133.10117	41.0
135.08040	12.8
135.11673	8.4
137.09605	3.3
142.07748	3.2
143.08545	8.8
144.09355	2.6
145.10115	41.8
147.11684	24.0
149.09633	2.5
149.98259	2.3
156.09311	2.5
157.10107	15.2
159.11691	44.1
160.12480	4.2
161.09563	3.6
161.13251	38.6
163.11150	5.2
165.12628	2.5
169.16170	2.2
171.11687	24.4
173.13295	12.4
175.11140	3.6
175.14815	91.8
176.15497	4.8
177.12711	4.5
177.16479	3.2
185.13268	14.0
186.13979	2.2
189.12688	5.9
189.16383	5.7
190.13629	4.3
199.14807	5.7
201.16377	31.3
203.14363	10.4
215.17966	6.3
217.19536	3.9
229.99767	2.1
241.19463	16.5
259.20569	100.0
273.06253	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	1.5
55.01863	1.7
55.05260	0.7
55.05508	10.7
57.03423	2.2
57.07064	3.1
58.07401	0.5
62.06069	1.2
63.70183	0.5
65.03918	1.3
67.05501	22.4
69.07064	9.6
71.04978	1.8
71.08604	1.2
71.26043	1.4
79.05488	20.6
79.05953	0.8
81.07053	23.5
83.04964	1.0
83.08612	3.7
84.59905	0.4
85.06528	1.6
85.10181	0.5
89.03942	0.6
91.05475	43.8
92.05688	0.5
93.06460	1.0
93.07037	19.4
95.04961	3.1
95.08601	16.1
97.06525	9.1
97.10168	1.1
99.08076	1.9
103.05460	1.5
104.06219	0.5
105.07023	60.3
106.07334	0.5
107.04946	1.1
107.08591	11.1
109.06493	1.2
109.10142	4.2
111.04462	0.6
111.08064	1.3
113.09618	0.7
115.05428	1.9
117.07011	15.3
119.08574	44.0
120.08932	0.5
121.06513	1.0
121.10139	7.6
123.08077	0.9
123.11705	0.8
125.09583	0.6
128.06236	2.6
129.06996	8.4
130.07768	0.9
131.07565	1.0
131.08556	20.5
133.10121	37.0
135.04390	1.0
135.08043	1.5
135.11667	5.1
137.09615	1.2
139.11147	0.5
141.06955	1.4
142.07797	3.1
143.08551	11.2
144.09259	0.5
145.06493	0.5
145.10114	15.7
147.04231	0.6
147.11678	29.5
149.09605	1.6
149.13245	3.1
151.11169	0.8
155.08537	0.7
156.09380	0.9
157.10121	12.4
158.10722	0.5
159.11682	16.4
160.93764	0.5
161.02345	1.5
161.09602	1.3
161.13243	18.7
161.14590	1.0
163.03886	3.9
163.11174	1.3
167.08685	0.7
169.10094	1.1
170.10901	0.8
171.11684	10.9
173.02333	3.6
173.13251	9.1
175.11183	1.8
175.14815	8.2
177.12755	1.7
184.12448	0.9
185.09573	1.0
185.13243	8.5
187.14806	1.8
189.12785	1.3
189.16370	0.6
199.14803	12.1
201.16306	0.7
203.14233	0.9
204.02074	0.5
212.15712	0.5
213.16414	2.3
215.07001	3.2
215.17960	1.1
217.15865	1.6
217.19429	0.7
231.17493	0.9
231.21027	1.9
241.08629	0.5
241.19496	18.1
259.09628	3.1
259.20557	100.0
259.28189	12.2
260.20810	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03940	3.3
55.01891	1.2
55.05510	18.0
57.03425	2.1
57.07072	7.2
65.03931	1.5
67.05169	2.4
67.05501	28.5
69.07064	24.5
70.46188	1.3
71.08620	2.3
71.18637	2.5
71.18964	2.1
79.05058	2.4
79.05491	26.5
81.07053	58.0
83.08616	14.0
91.05473	41.6
91.11691	1.4
93.07041	34.2
95.04942	2.8
95.08603	51.0
97.06532	5.7
97.10152	3.8
99.08052	1.8
103.05470	1.5
105.03387	6.3
105.07027	87.1
107.08584	34.9
109.06519	2.0
109.10152	30.3
115.05443	3.1
117.07004	38.4
119.08572	57.8
121.10142	26.6
123.08086	1.9
123.11702	24.3
128.06242	6.1
129.06989	20.3
130.07802	3.5
131.08563	38.2
133.10121	49.2
135.08057	2.8
135.11688	18.4
137.13228	8.0
141.07053	2.1
142.07787	5.4
143.08551	27.0
145.06555	1.5
145.10124	36.6
147.10526	2.4
147.11684	43.7
149.09659	2.9
149.13211	16.2
151.14796	2.2
153.87314	1.8
155.08543	3.0
156.09274	2.6
157.10117	20.0
159.11696	49.2
161.09676	2.3
161.13252	29.5
161.14580	1.9
163.14842	9.8
165.16380	1.7
169.10138	1.9
171.11682	22.2
173.09729	1.5
173.13254	31.3
175.11217	2.3
175.14839	19.2
177.12703	1.8
177.16368	6.3
181.06415	2.4
185.13243	23.1
187.14818	4.1
189.12851	2.1
189.16412	17.4
199.14847	18.3
201.09114	4.9
203.14403	2.7
203.17963	16.4
213.16414	9.0
215.07036	2.3
215.18018	3.0
217.19540	3.9
228.54353	1.5
229.09839	1.9
230.04669	1.5
231.17679	1.9
231.21089	5.0
241.12369	2.6
241.19476	36.8
242.19821	2.2
259.13324	4.9
259.17044	8.1
259.20596	100.0
259.24197	67.1
259.26968	2.6
260.09268	2.0
260.20898	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1693
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
55.05495	5.5
56.07444	1.0
69.07053	4.1
70.56806	3.7
70.57155	1.1
79.05485	5.7
81.07030	4.0
88.87168	1.0
91.05470	6.1
93.07034	4.9
95.05016	1.2
95.08603	1.9
97.06525	6.2
99.50935	1.0
105.07026	16.6
107.08582	7.1
111.50212	1.0
113.21165	1.1
117.07023	2.3
119.08598	6.0
127.09750	1.1
128.06215	12.0
129.06989	11.7
131.08566	11.5
133.10091	1.6
139.81927	1.3
141.06993	4.2
142.07764	26.4
143.08549	45.5
144.09337	2.5
145.10123	7.3
150.42270	1.1
154.07698	1.4
155.08575	5.8
156.09361	7.2
157.10118	50.3
157.22527	1.1
158.10910	2.6
159.11667	9.3
163.03891	2.8
169.10130	9.0
170.10838	3.9
171.11667	16.7
173.02385	1.6
182.10896	2.3
183.11705	1.5
184.12440	8.3
197.13229	2.6
199.14809	100.0
215.07022	2.5
217.15834	3.6
259.09549	2.9
259.16919	9.6
259.20609	1.2
259.28146	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	259.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81237	0.6
53.03944	0.9
55.05508	3.4
57.07071	0.9
63.96064	0.5
67.05486	1.7
69.07061	4.5
70.89103	0.5
70.96940	1.0
71.83580	0.5
79.05488	4.1
81.07068	3.6
90.82511	0.5
91.05471	5.8
93.07044	4.3
95.04967	0.6
95.08620	1.0
97.06500	2.4
103.05467	0.9
105.07024	14.3
107.08589	3.9
115.05453	1.8
116.06182	0.5
117.07018	2.9
118.98178	0.6
119.08569	7.7
121.10151	1.0
128.06219	11.6
129.07005	13.3
130.52811	0.7
131.08566	12.2
133.10136	1.6
141.06958	4.4
142.07776	24.8
143.08554	42.4
144.09343	3.0
145.06534	0.9
145.10109	6.7
147.11710	0.9
155.08549	6.2
156.09344	9.1
157.10120	50.7
158.10890	4.5
159.11670	9.3
161.13284	0.8
163.03920	1.2
169.10106	10.9
170.10887	3.3
171.11681	16.8
173.02246	1.2
182.10875	3.0
183.11644	1.6
184.12463	9.3
185.13274	0.8
197.13280	2.9
199.14813	100.0
200.15157	1.5
215.07135	0.9
217.15877	2.2
259.09592	0.6
259.14481	0.7
259.16946	8.6
259.20651	3.2
259.28214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1693
Annotation	Laurenol acetate
Peak:m/z	Relative Intensity
53.03944	0.8
55.05519	3.4
61.44346	0.4
64.29875	0.4
67.05484	1.5
69.07060	3.8
69.80305	3.0
71.59577	0.4
72.08125	1.4
79.05493	4.1
81.07056	5.4
86.01033	0.4
90.09213	1.0
91.05473	6.4
93.07040	5.3
95.04961	0.9
95.08603	2.7
97.06528	1.3
103.05473	0.9
105.07023	17.4
106.07367	0.6
107.08600	5.8
115.05412	2.3
116.06220	0.7
117.07008	3.6
119.08573	7.1
121.10139	0.9
128.06221	13.8
129.06999	13.9
130.07739	0.8
131.08562	9.9
133.10159	1.3
141.06969	5.1
142.07776	25.7
143.08554	45.3
144.09369	3.5
145.06473	1.3
145.10101	4.9
154.07774	0.6
155.06038	1.0
155.08540	6.1
156.08075	0.5
156.09343	9.0
157.10121	50.7
158.10808	1.7
159.11679	12.9
161.02324	0.5
161.09569	0.6
163.03854	0.9
167.08540	0.8
168.09285	0.4
169.10123	9.0
170.10857	3.3
171.11674	24.7
172.11946	0.6
173.02379	0.5
173.13359	0.6
175.11263	0.7
182.10945	1.3
183.11633	1.1
184.12483	5.7
189.16472	0.4
197.13261	1.8
199.14813	100.0
200.15076	2.4
201.12874	0.9
215.06967	0.8
217.15863	8.2
259.16931	18.8
259.28220	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05505	6.5
56.77692	1.3
57.07063	2.4
67.05502	16.4
69.07053	4.7
71.04990	3.9
71.65099	2.7
79.05486	12.4
81.07058	14.8
81.32589	2.0
83.08611	3.2
84.08164	1.5
84.08779	1.6
85.06530	3.5
89.47459	1.4
91.05485	12.9
93.07032	14.8
95.04964	5.8
95.08598	10.8
96.75809	1.6
97.33685	1.4
103.05476	3.1
105.07023	28.7
107.08582	13.4
109.06502	5.0
109.10163	11.7
111.08098	2.7
113.82559	1.5
115.05455	2.4
117.07030	20.5
119.08562	17.6
120.04967	1.3
120.61931	1.5
121.10134	79.4
123.08045	5.6
123.11716	1.8
128.06197	6.3
129.07007	17.8
130.07755	2.7
131.08560	37.4
133.10121	10.7
135.08055	15.0
135.11658	3.8
137.09584	3.5
141.06996	11.1
142.07780	7.1
143.08549	22.7
145.10112	50.7
147.07983	3.4
147.11693	3.3
149.09612	4.0
151.11105	2.5
153.06998	3.5
154.07724	3.3
155.08546	17.8
156.09329	5.2
157.10103	26.8
158.10704	2.3
159.08055	2.4
159.11696	21.1
161.09615	4.9
161.13245	3.1
167.08549	10.2
168.09377	5.4
169.10112	22.5
171.11688	20.7
173.09593	4.3
173.13240	18.1
175.11177	2.5
177.12755	2.5
181.10168	1.8
182.10861	8.3
183.11707	16.2
184.12445	3.3
185.13206	3.0
187.11235	3.5
187.14827	3.5
195.11800	1.8
197.13258	33.3
199.11263	1.7
199.14818	31.6
201.12756	6.1
211.14799	4.7
213.16391	8.9
215.14311	6.2
215.17950	4.5
229.19611	2.0
239.17943	25.2
257.08063	4.4
257.15466	7.1
257.19000	100.0
257.26733	3.1
258.19302	4.0
258.27899	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	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05497	4.1
56.27591	1.1
57.07071	1.3
59.05000	1.2
65.03909	1.2
67.05496	7.1
67.58899	1.0
69.03436	1.1
69.07067	6.0
70.02204	2.0
70.02600	4.1
70.17082	1.0
71.04983	3.2
79.05517	6.8
81.07047	6.4
81.19250	1.2
83.04977	1.7
83.08588	2.2
85.06522	2.6
90.41249	1.0
91.05478	8.7
93.07048	11.5
95.04961	3.7
95.08612	10.2
97.06493	1.8
105.06362	1.8
105.07027	20.9
107.08593	13.8
108.15924	1.1
109.06520	5.9
109.10146	10.9
111.08108	2.8
115.05450	1.6
117.07023	5.1
119.08578	21.0
121.10139	66.5
123.08038	2.3
123.11715	2.3
128.06180	3.0
129.06981	3.6
130.07733	1.4
131.08551	11.0
133.07616	1.3
133.10139	10.6
135.08057	14.1
135.11697	2.6
137.09593	4.1
141.06940	1.6
142.07770	7.1
143.08551	18.2
144.09329	3.7
145.10106	20.7
147.11688	4.4
149.09601	4.1
155.08517	5.4
156.09331	5.5
157.08896	2.0
157.10126	22.9
158.10873	4.1
159.07991	1.5
159.11678	23.6
161.09641	2.1
161.13283	1.3
163.11183	4.4
168.09247	2.1
169.10147	10.8
170.10860	2.5
171.11696	13.4
173.09579	2.4
173.13255	26.1
174.13960	2.6
175.11180	1.9
175.14824	2.0
177.12714	2.2
182.10808	1.3
183.11674	10.0
184.12469	4.0
185.13254	2.5
187.11115	5.9
187.14795	4.7
189.12657	2.3
195.11710	2.0
197.13219	10.1
199.14824	34.2
201.12718	9.5
209.02187	1.1
209.13313	2.3
211.14784	2.3
213.16396	11.6
214.17198	2.3
215.14397	2.5
215.17886	10.9
224.15608	1.4
239.17946	10.8
257.18994	100.0
258.19330	1.9
258.27951	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03946	1.6
55.01862	1.3
55.05517	13.7
57.07055	2.4
58.60120	1.0
59.24237	1.4
67.05508	29.5
69.07063	5.3
71.04999	1.7
71.62804	2.1
79.05493	13.4
79.10374	1.1
81.07049	18.8
83.08607	3.9
91.05478	21.0
93.07034	11.0
95.04977	2.6
95.08613	17.0
97.06539	1.0
97.10148	1.4
100.51427	1.2
102.13737	1.1
105.07030	25.1
107.04932	1.3
107.08577	7.9
109.06513	1.6
109.10166	8.3
111.08086	1.5
115.05443	3.5
117.07021	29.7
119.08584	18.1
121.06411	1.1
121.10138	7.1
123.08045	1.5
123.11744	1.3
128.06223	5.4
129.07022	16.1
130.07796	6.5
131.08566	43.4
133.06520	2.0
133.10124	14.2
135.08052	2.1
135.11696	2.3
137.09602	1.5
141.06967	8.9
142.07785	3.6
143.08566	24.1
144.09306	1.6
145.06467	4.8
145.10126	100.0
147.08060	1.3
147.11700	9.7
149.09633	2.0
149.13335	1.8
153.06915	1.8
154.07765	2.3
155.08557	11.5
156.09381	2.9
157.10136	14.6
159.08080	2.9
159.11699	24.1
160.79414	1.1
161.09633	2.6
161.13251	2.8
167.08591	5.3
168.09322	1.8
169.10139	15.1
171.11708	21.7
172.12282	1.2
173.09633	3.5
173.13243	11.8
175.11142	3.6
175.14847	1.4
182.10948	3.2
183.11697	13.8
184.43042	1.9
185.13268	5.0
187.11192	10.9
187.14810	6.2
196.12363	1.1
197.13260	18.9
199.14833	3.6
201.12804	2.3
211.07475	1.5
211.14868	2.8
213.16342	3.5
215.14374	4.6
215.17970	2.6
229.19501	28.9
239.17935	19.5
257.08121	4.9
257.15665	3.1
257.19012	93.2
257.30267	5.9
258.19250	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	257.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05512	3.4
67.05476	2.6
69.07047	1.7
70.44483	2.4
70.44839	1.1
79.05486	2.9
81.07036	2.5
86.13587	0.6
91.05479	4.6
93.07035	1.8
95.04937	1.6
95.08619	1.4
102.01096	0.5
103.05444	1.0
105.06379	1.1
105.07024	10.8
105.73337	0.7
107.08572	0.7
109.06457	0.6
109.10143	0.9
115.05428	2.4
117.06994	4.4
118.07800	0.7
119.08572	2.4
128.06209	4.9
129.06149	0.6
129.07007	8.2
129.07935	1.2
130.07758	0.6
131.08539	2.7
141.05937	1.1
141.06975	14.8
142.07767	9.3
143.08553	6.6
145.06453	0.9
145.10094	2.5
152.06171	2.2
153.06972	11.2
154.07791	8.6
155.08540	44.1
156.09343	13.4
157.10117	11.0
159.08034	1.9
159.11649	0.9
165.07018	3.8
166.07751	2.2
167.08551	48.1
168.09338	8.7
169.10114	29.0
171.08047	0.6
171.11696	1.3
173.09564	1.0
180.09352	1.2
181.10114	5.6
182.10896	40.0
183.08017	1.0
183.11526	0.8
187.14885	0.8
195.11684	2.3
197.13246	100.0
198.13606	2.1
199.11159	2.4
211.07529	0.8
211.14784	0.8
215.14301	4.7
239.14290	1.6
257.04456	0.9
257.08060	2.7
257.11539	1.3
257.15366	23.0
257.18985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1536
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
52.33004	0.9
55.05500	3.7
57.85297	0.8
59.25241	0.9
62.34092	0.8
64.20197	0.8
64.26992	0.8
67.05502	6.8
69.07069	5.5
70.84991	0.9
71.04986	1.4
71.64070	0.8
79.05489	11.2
81.07059	13.2
81.07526	1.7
83.04981	1.4
83.08600	1.2
85.06523	3.8
91.05479	16.5
93.07047	14.7
95.04957	2.5
95.08600	9.6
96.59561	0.9
97.06527	2.0
101.50028	0.8
103.05457	1.3
105.07038	22.7
107.08600	10.4
109.06502	1.8
109.10166	3.0
111.08106	0.9
115.05431	1.9
117.07022	6.5
119.04939	1.6
119.08575	19.4
121.06487	1.4
121.10130	8.3
123.08068	2.2
125.05984	2.3
128.06195	4.8
129.06999	12.2
130.07756	1.3
131.08557	19.3
133.10121	14.7
135.08064	1.9
137.05986	1.4
139.07559	1.0
141.07008	6.0
142.07794	8.7
143.08565	22.4
145.06505	2.5
145.10130	19.9
146.10855	1.1
147.08032	1.9
147.11659	4.2
149.05991	2.3
149.09618	1.1
153.06985	1.7
154.07788	3.7
155.08551	20.0
156.09335	6.5
157.10136	24.0
159.08073	2.7
159.11691	8.5
161.09599	1.6
163.07565	1.5
167.08589	3.1
168.09300	3.0
169.08727	1.8
169.10133	25.2
170.10851	3.6
171.08038	1.5
171.11700	17.2
172.12410	1.6
173.05971	1.4
173.09645	2.7
173.13293	4.2
175.07555	2.2
179.08659	1.0
181.10143	5.9
182.10857	3.2
183.08110	1.8
183.11659	16.9
184.12486	1.9
185.13268	5.2
187.07629	1.7
187.11177	2.8
187.14764	2.9
189.09042	2.1
195.11646	1.3
196.08684	0.9
196.12463	7.5
197.09587	3.5
197.13275	5.1
198.13962	1.6
199.14864	9.4
201.09050	5.2
201.12686	1.3
201.16400	10.2
206.11035	1.0
211.14818	52.9
213.16376	16.6
215.10684	3.7
215.14235	1.2
221.13361	1.8
229.12270	1.7
229.15858	13.9
239.14363	13.6
239.17987	2.9
257.15363	100.0
257.18964	10.4
257.22601	3.0
258.15683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1535
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
53.03933	1.2
55.05513	4.8
57.03439	1.2
59.04966	0.8
67.05496	1.5
69.07069	1.2
70.99534	2.3
70.99884	0.9
77.03895	0.9
79.05479	3.7
81.07040	5.1
91.05492	7.8
93.07040	4.0
95.04977	2.2
95.08595	2.5
97.06538	1.0
105.07040	13.8
107.08603	1.9
108.09993	0.8
109.06525	1.6
115.05424	4.4
117.07024	5.6
118.07887	1.3
119.08577	4.4
121.06458	1.0
128.06210	6.4
129.06992	11.7
131.08572	6.2
133.10060	1.2
135.08025	1.5
141.06992	17.5
142.07788	11.0
143.08572	13.7
145.06508	2.1
145.10141	6.8
152.06158	1.7
153.06990	16.6
154.07762	15.9
155.08551	61.9
156.09348	16.5
157.10129	15.3
159.08063	3.5
159.11642	2.5
165.06976	5.7
166.07816	3.0
167.08563	57.4
168.09337	10.4
169.10120	46.4
171.11688	6.1
173.09639	5.1
173.13257	1.5
179.08556	1.2
180.09308	2.1
181.10110	11.3
182.10905	49.9
183.11575	3.1
185.09708	1.3
185.13203	2.0
187.11220	1.7
187.14851	2.6
195.11676	4.7
196.08781	1.1
196.12469	2.0
197.13254	100.0
198.13585	1.9
199.11195	8.9
201.09213	0.9
206.10922	1.3
211.14812	2.6
213.12683	1.8
214.13518	3.1
215.10805	1.4
215.14301	16.9
221.13240	2.1
224.11990	1.3
229.15921	1.5
239.14319	4.1
242.13197	1.0
257.15356	69.9
258.15683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
63.56276	0.9
67.05501	4.0
69.07057	2.8
71.04980	0.9
71.39997	1.2
71.40361	1.9
73.31969	0.9
79.05469	2.2
81.07052	7.2
90.29133	0.9
91.05455	2.6
93.07037	1.5
93.97890	1.0
95.08604	2.2
105.07019	3.9
109.10165	2.8
115.05462	6.1
117.07005	4.0
119.08577	3.0
121.10126	1.8
128.06218	6.7
129.07002	24.9
131.08534	6.5
133.10094	1.3
141.06982	31.3
142.07739	4.2
143.07436	1.6
143.08527	12.7
145.06471	1.8
145.10155	7.0
152.06197	2.1
153.06967	25.8
154.07771	13.6
155.08545	100.0
156.09335	9.6
157.10139	8.2
159.08046	1.1
159.11642	2.6
165.07031	2.3
166.07756	1.0
167.08562	27.9
168.09331	16.8
169.10126	36.2
171.11714	2.8
173.09605	3.9
173.13281	2.2
180.09413	1.0
181.10155	5.7
182.10896	26.5
183.11653	1.6
187.14836	1.2
195.11652	1.7
197.13252	75.4
198.13535	1.9
199.11139	2.4
215.10934	1.2
215.14325	27.0
221.13135	1.3
239.14287	3.3
239.18025	2.2
257.08075	1.8
257.15375	15.8
257.18961	7.6
257.21756	1.1
257.22598	1.0
257.26743	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79748	0.6
53.47453	0.5
56.96563	24.5
57.03424	0.8
60.35174	0.5
61.02937	1.0
65.61373	0.5
69.03428	1.5
70.06590	1.4
70.18567	2.7
70.98115	1.6
71.95255	4.3
73.02904	0.5
84.08143	1.6
85.02908	1.6
86.09682	0.5
97.02892	1.3
98.97578	100.0
101.00879	0.8
112.99095	1.2
115.02470	0.7
116.98614	78.0
119.01910	4.4
121.02859	0.7
128.98637	0.6
130.93283	2.6
131.00146	0.9
131.01881	0.9
131.08722	0.5
134.99652	32.5
140.00128	2.8
145.03552	0.5
145.04935	0.6
152.07057	0.9
152.98178	0.5
153.00690	4.2
158.01228	1.3
158.99594	0.7
161.05515	0.7
163.02768	0.7
163.04370	1.6
172.94315	3.9
190.95390	7.2
208.96454	2.5
214.95444	1.3
215.02199	1.0
222.31949	0.6
232.96429	7.7
233.03360	1.7
250.97488	4.5
251.02467	0.8
256.96396	7.6
257.05176	1.1
274.97495	57.9
275.97702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03441	6.1
67.68389	0.7
69.07056	1.4
70.87739	0.6
71.53046	1.5
75.04474	2.7
79.05484	4.6
81.07032	1.0
87.36105	0.7
91.00943	0.7
91.05476	2.9
93.01189	0.7
94.04202	0.7
95.04980	0.9
95.35615	0.6
103.05434	3.3
105.07030	33.0
107.04940	3.2
109.06489	1.2
115.05470	1.9
117.07025	1.0
119.08607	0.7
122.03649	5.1
133.06487	50.5
137.05971	100.0
138.06252	1.0
147.04408	1.1
150.06712	1.2
163.07559	5.0
165.09102	25.7
166.39680	0.7
175.07555	2.6
175.11148	0.9
177.09129	1.4
181.08609	1.8
183.08150	0.7
183.10158	4.5
195.41147	0.7
203.10669	2.2
209.11739	1.3
211.07462	0.8
221.11723	2.5
239.09090	0.9
257.08105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01879	3.2
55.05510	1.0
56.96562	6.8
57.03442	7.6
59.04998	0.6
60.05641	0.5
61.02926	2.9
68.05029	0.6
69.03432	4.8
69.46761	4.6
70.06597	3.5
70.98106	0.5
71.01347	1.4
71.04988	2.0
71.95241	0.6
73.02919	6.5
80.04994	1.7
81.03409	1.5
83.04987	1.0
83.06123	0.5
84.04510	0.5
84.08141	1.2
84.77154	0.5
84.96054	0.7
85.02906	8.8
87.04461	1.9
89.03892	0.5
91.05466	0.5
91.96597	0.5
96.04490	1.7
97.02905	5.6
97.07661	0.6
98.97581	7.3
99.04457	1.7
101.00867	1.4
101.06071	0.5
103.03949	0.6
106.02863	0.6
107.03322	0.5
109.02839	1.0
110.07165	1.0
110.97576	1.5
112.07602	1.4
112.99161	1.3
114.05530	1.2
115.02410	0.9
115.03957	3.3
115.97805	0.5
116.98617	4.7
117.02036	0.7
117.04056	0.5
119.01916	4.5
123.05550	2.1
123.53645	0.6
124.03956	100.0
125.03421	0.5
125.04295	1.1
126.02601	1.3
127.02406	0.8
127.03929	1.6
128.98598	2.0
129.04050	0.9
130.08640	1.6
131.00182	2.1
131.01900	2.1
131.05586	0.5
132.99966	0.5
133.03427	1.6
133.04973	4.8
134.99648	1.9
135.03116	0.5
137.02940	0.7
137.09482	0.5
138.05499	1.1
140.72971	0.6
143.00139	0.6
143.01936	1.1
143.05562	0.8
145.01746	0.8
145.03468	7.2
145.04698	0.6
146.02399	0.8
146.99643	1.2
149.01231	1.4
149.06602	0.7
151.04436	1.0
153.03987	0.7
153.05748	0.5
155.01968	0.6
155.08205	2.0
157.01566	0.5
157.03462	0.9
158.99678	1.4
159.05003	0.7
161.01219	1.4
161.02907	1.1
163.02802	0.7
163.04236	1.7
168.05119	1.1
169.03444	5.0
169.05788	0.5
171.04970	0.8
173.01329	0.6
173.02994	1.8
174.08676	0.6
174.55190	1.7
175.02937	0.7
175.04509	1.8
176.03461	0.5
177.00766	1.8
177.04207	0.7
178.05020	0.7
182.03456	0.6
184.04776	1.0
186.04430	1.3
186.06090	1.3
186.55074	0.6
187.02858	1.0
187.04477	6.3
189.00740	1.2
189.04257	0.7
189.05971	0.8
190.98695	1.1
191.02339	0.7
191.03946	1.5
196.07185	0.7
197.02991	1.2
199.05504	0.7
201.00684	1.3
204.05490	1.1
204.07170	0.6
205.03777	0.7
205.05502	1.4
207.01741	0.5
209.03055	0.7
210.08887	0.7
212.08850	1.8
214.03836	0.9
214.05711	1.5
215.04030	1.1
219.01810	0.7
228.05498	1.0
232.99530	0.6
233.03233	1.2
233.05165	1.4
236.05670	0.7
237.02824	0.9
245.05159	0.7
249.08156	0.7
251.02451	1.1
256.02896	1.1
256.09213	1.7
257.05096	1.2
261.02762	0.7
265.05957	1.0
274.04132	1.1
274.07770	0.5
274.97397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0816
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
53.54878	0.4
55.01869	3.3
56.96550	0.9
57.03184	0.5
57.03434	4.7
59.04992	0.8
61.02927	1.8
69.03430	2.7
70.06579	1.0
71.01347	1.5
71.61063	0.3
71.61434	0.4
73.02914	3.3
76.98626	0.4
80.05021	2.0
83.06096	1.0
85.02917	4.1
86.06059	0.6
87.04456	1.1
96.04488	1.2
97.02924	1.7
97.07670	0.6
98.97569	0.7
101.00907	0.4
110.97591	0.3
112.99145	0.6
114.05537	1.6
115.03951	2.2
119.01920	1.5
121.44681	0.4
123.05545	2.4
124.03956	100.0
124.35690	0.3
125.04311	0.9
127.05032	0.7
127.08688	0.4
131.00171	0.6
131.01859	0.5
133.03496	0.5
133.04980	3.2
138.05496	0.4
145.03407	0.9
145.31619	0.3
150.06644	1.4
155.08168	4.6
175.01836	0.3
178.04941	0.4
196.07191	1.5
210.08894	0.7
238.07254	0.4
251.02507	0.5
256.09375	1.9
256.13019	1.1
264.29471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1953
Annotation	4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-ene-3,6-diol
Peak:m/z	Relative Intensity
52.36733	2.3
55.05507	9.1
67.05513	13.8
69.07055	10.3
71.62843	5.2
78.44547	2.5
79.05484	6.6
81.07050	21.9
83.08616	5.0
91.05485	5.6
93.07029	10.8
95.04966	34.7
95.08611	23.7
97.06528	17.6
97.10158	6.2
98.98455	14.4
105.07032	25.8
107.08566	11.0
109.06513	9.1
109.10169	14.0
111.11716	5.6
119.08588	7.9
121.10169	10.6
123.08078	6.2
123.11674	2.7
131.08565	6.3
133.10159	7.1
135.11684	5.2
137.09610	6.5
145.10103	8.2
149.09634	7.0
149.68439	2.4
152.69872	2.7
159.11728	6.4
161.13264	36.8
163.14832	8.1
174.16521	2.6
191.18027	6.0
197.66629	2.5
201.16414	9.2
219.17438	27.8
237.18500	100.0
255.06554	4.9
255.09999	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	256.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21414	0.6
52.86896	0.6
55.01874	4.5
55.05504	1.3
56.96564	12.4
57.03439	8.1
57.07071	1.8
58.99862	2.2
61.02932	9.4
65.03940	0.8
65.83309	0.6
67.05492	0.7
68.05022	1.5
69.03424	7.1
69.78745	1.3
69.79142	3.3
70.06583	3.5
70.65670	0.6
70.98112	2.0
71.01336	1.3
71.04993	2.0
73.02911	8.7
77.00903	2.9
80.05009	1.9
81.03416	2.5
82.01436	0.9
83.05002	1.1
83.06129	0.8
84.96030	0.7
85.02905	12.8
87.04457	2.7
88.07631	0.9
91.03960	1.7
93.03387	0.7
94.11204	0.8
95.01891	0.6
95.04945	1.3
96.04490	1.2
97.01402	1.4
97.02881	7.6
97.99155	0.6
98.06029	0.9
98.20815	0.8
98.97567	4.3
99.04468	1.1
100.02473	6.9
101.00861	3.3
101.02383	1.6
103.02411	1.7
103.03912	0.7
105.00385	1.7
109.02871	1.3
110.07190	1.0
111.04459	0.7
111.53099	0.9
113.00854	1.2
114.05534	2.2
115.02436	17.6
115.03878	4.8
116.98621	4.4
117.03999	4.8
118.03509	4.8
119.01915	19.8
120.02028	1.1
121.02842	1.7
121.43243	0.5
123.05527	2.2
124.03950	100.0
125.04443	0.7
125.07043	1.4
127.02454	1.8
127.03902	2.1
127.04937	0.8
128.02336	0.6
128.98610	2.3
129.01859	1.2
129.03969	1.1
131.00151	1.1
131.01894	6.0
133.03467	16.5
133.04933	3.4
134.99640	2.6
135.03094	0.7
135.05038	4.2
137.02945	6.2
138.04070	0.8
138.05450	1.0
139.03900	0.6
140.05556	1.6
142.03517	1.6
142.96445	0.6
143.01920	4.1
143.02982	0.8
144.99855	1.3
145.01729	0.7
145.03468	14.2
145.99950	1.3
146.03625	0.7
146.99643	2.9
147.01366	0.8
147.03159	1.4
147.05093	1.2
149.01146	0.9
149.06659	0.8
150.01808	1.5
150.06609	2.1
151.04501	1.2
153.04057	1.2
155.01920	2.0
155.08163	4.3
156.05037	1.3
157.01677	1.4
157.03471	1.6
158.03516	1.0
158.06612	0.9
159.01421	0.7
159.05092	1.1
160.04556	0.7
161.01198	0.8
161.02940	5.8
161.04349	1.3
162.03218	0.9
163.00873	0.7
163.02684	0.9
163.04626	2.9
164.08215	0.7
165.00937	0.6
168.04996	2.6
168.99771	0.7
169.03389	7.9
171.01436	5.0
171.02937	1.1
171.04982	2.1
173.02931	2.4
174.03116	1.1
174.99051	1.2
175.02716	2.2
175.04494	3.0
177.00745	1.6
177.02438	2.1
178.04912	0.7
179.04079	0.9
183.04953	1.0
183.55003	1.0
184.04578	3.8
185.02943	1.8
186.03122	0.8
186.05995	0.9
187.00832	2.2
187.02832	0.9
187.04495	10.3
188.04453	0.7
188.97124	0.8
189.00758	1.0
189.02432	7.6
189.04117	3.6
189.06015	1.2
190.98643	2.2
191.02119	1.0
191.03937	0.9
192.05072	1.4
193.00163	0.7
193.03697	0.8
194.02901	1.0
194.06578	0.7
195.05081	1.0
196.04524	1.1
196.07135	3.5
197.02855	3.6
203.02065	0.9
203.03920	1.8
203.05573	1.0
205.00168	0.8
205.01912	2.2
205.03674	1.0
206.98067	1.1
207.03529	4.3
208.99710	0.9
210.02554	0.9
210.05940	0.9
210.08765	2.4
211.04411	1.1
212.04057	7.0
212.08852	1.8
214.05672	2.5
214.98586	1.0
215.00310	3.3
215.02222	1.0
215.03975	3.9
215.21117	0.7
219.01657	1.6
220.04547	1.2
221.03023	1.4
221.04987	0.8
223.04803	0.7
228.03857	0.6
228.08710	1.4
229.05489	0.7
230.05139	3.4
232.99532	1.2
233.01422	19.2
233.03322	1.5
233.05151	1.5
235.01602	0.8
235.05553	1.2
238.01897	1.0
238.05513	0.9
239.04050	1.2
244.05273	2.0
245.05106	1.5
246.05334	2.0
247.04945	1.0
251.02516	45.6
256.03018	37.9
256.06802	1.7
256.09183	3.6
256.12845	1.1
256.26358	4.1
257.05185	3.3
269.07202	0.8
269.92987	0.7
274.01233	1.2
274.04077	22.9
274.07239	1.2
274.97449	0.9
275.06357	1.4
279.04648	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03939	5.3
55.01867	2.2
55.05510	32.8
57.03438	56.9
57.07066	6.2
58.15952	1.9
63.95589	2.0
65.03935	2.8
67.05504	83.4
69.07072	28.1
70.89083	6.5
71.01350	7.2
71.04986	7.4
71.08628	2.3
79.05492	82.6
81.03420	13.6
81.07056	41.7
83.04983	24.9
83.08601	5.1
85.06538	6.0
91.05477	30.3
93.07043	82.5
93.15603	2.1
95.04961	12.5
95.08611	11.1
97.06521	19.0
97.10191	16.9
98.98463	10.4
99.08102	3.7
105.07028	8.2
107.04967	2.6
107.08591	48.6
109.10150	10.8
111.08094	3.8
115.31993	1.9
117.07043	6.9
119.08531	10.1
121.06490	2.7
121.10143	12.0
125.09637	4.6
133.10156	8.1
135.11690	100.0
137.09660	3.3
145.10121	13.9
153.01898	2.1
153.12698	2.4
163.11176	12.9
169.06395	2.2
171.11728	2.0
181.12251	14.4
201.60071	2.0
255.06310	3.1
255.15875	48.2
255.25121	2.8
256.26190	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64972	1.9
53.03938	6.4
55.01859	4.0
55.05265	2.6
55.05509	35.1
56.84032	1.8
57.03436	59.3
57.07075	4.0
67.05504	92.9
67.37489	2.2
69.03432	2.2
69.07065	26.0
70.30083	7.7
71.01335	7.2
71.04977	6.7
71.77411	1.7
79.05490	87.8
81.03419	12.2
81.07058	37.1
83.04983	26.1
83.08630	9.2
85.06520	7.1
91.05470	34.3
93.07043	97.6
95.04958	10.9
95.08609	12.3
97.06525	21.0
97.10173	20.1
98.20802	1.8
98.98466	17.8
99.08085	5.7
105.07012	11.1
107.04963	3.7
107.08595	58.8
109.06533	2.6
109.10133	10.4
111.08050	5.8
117.07027	10.5
119.08609	11.9
121.06516	4.0
121.10123	11.0
125.09631	4.0
129.06981	2.1
133.10124	7.0
135.08049	2.2
135.11693	100.0
137.09627	2.8
145.10124	17.7
153.12682	3.0
163.11182	12.8
181.12230	10.6
195.11766	2.4
255.06580	3.5
255.10078	2.6
255.15887	61.1
255.25140	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01871	3.4
55.05265	2.4
55.05507	35.8
57.03435	53.5
57.07085	7.6
65.03922	2.3
67.05500	98.0
69.03398	4.1
69.07064	29.6
70.06582	1.5
71.01361	7.9
71.04987	11.1
71.65707	2.2
79.05489	82.1
81.03407	11.1
81.07052	49.7
82.07386	1.7
83.04974	29.1
83.08617	9.9
83.43044	1.6
85.06559	8.2
90.53497	1.5
91.05470	31.8
93.07037	90.7
95.04962	11.4
95.08601	18.0
97.06522	26.3
97.10162	19.0
98.98460	28.7
99.08064	4.6
103.05376	1.5
105.07041	9.0
107.04922	4.7
107.07862	3.0
107.08585	60.1
109.06509	2.8
109.10145	12.2
111.08032	6.4
113.05991	1.8
115.05432	2.7
117.07030	10.5
119.08588	9.5
121.06467	4.6
121.10133	15.9
123.11647	1.6
125.09608	2.7
128.06180	1.6
129.79149	1.4
130.07771	1.9
133.10153	7.5
133.10953	1.4
135.07997	4.1
135.11685	100.0
136.11955	1.7
137.09584	4.5
143.08528	2.7
145.10109	14.9
153.06891	2.1
153.12721	2.7
155.08539	1.7
163.11186	16.9
167.08585	2.0
169.10071	2.1
175.03862	1.7
181.12206	12.8
197.13148	1.9
199.07501	2.3
199.10979	1.6
199.13304	2.3
227.07008	3.4
251.56041	1.6
255.06438	6.1
255.13681	2.7
255.15834	51.5
255.21155	1.7
256.26291	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	253.1797
Annotation	Mitchellene E
Peak:m/z	Relative Intensity
53.03935	2.2
55.05502	7.3
56.96564	1.5
57.03426	4.0
57.07079	2.3
63.35814	1.6
67.05503	11.0
67.69598	1.3
69.03420	2.3
69.07060	8.6
70.88367	3.2
70.88725	2.6
71.04988	5.5
79.05480	12.3
81.06570	2.2
81.07052	40.9
83.04968	8.9
83.08609	4.3
85.06545	3.2
88.50098	1.4
91.05477	10.3
93.07040	21.6
95.04965	4.7
95.08601	39.5
97.06516	5.1
97.10208	1.6
98.98461	100.0
99.04493	2.0
99.08092	1.9
105.07027	52.1
107.08579	21.1
109.06501	5.8
109.10145	11.4
111.04440	6.6
111.08100	2.5
116.99503	3.0
117.07027	8.6
119.08575	30.5
121.02880	7.1
121.06508	3.5
121.10133	18.3
123.08092	7.5
129.06992	2.3
131.08571	12.0
133.10121	22.4
135.08051	4.5
135.11665	9.7
137.04802	1.4
137.13228	1.7
139.03909	5.9
139.07573	2.7
142.07790	4.6
143.08549	8.0
144.09358	7.0
145.10126	6.6
147.11676	13.2
149.13252	13.6
153.09134	2.0
156.09348	2.1
157.10120	24.0
159.11681	88.8
161.09610	8.5
161.13249	61.5
163.14824	5.8
171.11687	6.1
174.99261	2.3
175.11163	2.0
175.14835	6.7
176.98952	2.0
177.12740	40.1
179.10645	3.3
179.14343	3.2
184.12436	2.0
189.16374	36.0
199.14810	49.0
207.08160	1.5
207.17462	5.6
210.18515	1.8
217.15871	60.6
218.16258	2.0
229.60825	1.7
235.16920	59.6
235.19305	2.9
253.06885	2.5
253.17993	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	254.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31284	1.0
53.03939	2.4
55.01856	1.4
55.05506	7.8
56.05013	1.9
56.96564	46.2
57.03407	3.8
57.07055	1.9
60.04517	1.7
60.08120	1.1
61.02895	3.6
67.05471	4.9
68.05010	1.9
68.29472	1.0
69.03417	6.2
69.07044	1.9
70.06592	9.3
70.98100	1.7
71.04987	6.2
71.28004	1.5
71.28329	1.7
71.65025	1.1
71.95260	1.6
72.08110	2.4
73.02867	3.5
74.97579	2.2
79.05483	6.6
80.04947	1.1
80.63618	1.1
81.03376	4.8
81.04508	1.6
81.07055	20.3
82.05284	3.2
83.04947	3.3
83.06099	21.8
84.04465	1.3
84.08150	5.2
84.08535	1.2
84.95991	3.8
85.02903	7.3
85.06477	1.6
87.04440	1.6
88.99146	1.8
90.98447	1.1
91.05457	1.7
93.04523	13.6
95.04954	1.2
95.06087	25.3
95.08525	1.4
97.02892	5.4
98.06053	7.2
98.97001	1.5
98.97535	13.1
98.98414	22.1
103.05415	1.2
104.05789	1.1
105.97446	1.1
107.06033	1.8
109.02833	1.4
110.07161	100.0
110.97505	1.9
111.04388	2.8
111.05502	4.8
111.07439	1.0
112.07555	1.8
112.08667	3.3
112.99123	1.5
116.07000	1.2
116.98626	12.8
117.02005	1.3
119.00044	1.2
119.01783	1.6
119.04895	3.3
120.08106	13.3
121.08439	20.7
122.05979	1.2
122.09578	1.1
123.04370	2.1
124.99066	2.3
125.02299	2.0
125.07102	6.3
127.03893	2.3
128.02299	1.2
128.98544	2.5
129.10059	1.5
131.00104	3.3
133.03418	1.5
134.05907	1.4
134.99626	6.4
136.07535	2.0
137.05981	2.1
139.03847	1.5
140.06981	1.3
141.02162	1.8
143.00153	9.1
145.01672	1.5
146.99521	3.6
147.04332	3.6
148.03828	4.5
149.01189	2.2
151.12236	1.2
152.06989	1.8
152.98537	1.5
153.04172	1.3
153.05421	1.7
155.00070	1.1
155.04570	3.0
156.07634	3.8
157.01649	2.1
158.01201	1.6
158.99631	2.5
159.03177	2.4
161.01225	18.9
161.02652	2.1
161.04630	5.2
161.54735	3.1
162.03452	1.1
162.99049	1.3
163.02805	2.0
163.03853	4.2
163.12294	50.3
164.05252	1.3
166.04913	2.7
167.11699	4.3
169.04362	1.9
170.05110	2.2
170.99573	1.9
173.01096	2.1
173.02721	2.8
175.02650	1.6
177.00607	4.6
177.05927	1.3
179.02185	3.4
180.12515	2.7
181.03557	1.1
181.13356	1.5
185.01089	2.5
186.04443	2.0
186.98949	1.7
187.02676	3.2
187.04320	1.9
188.05103	2.0
189.00597	4.3
189.04213	1.7
190.11859	1.2
190.13396	16.7
193.13359	5.6
194.12762	2.6
195.01810	1.2
195.09683	1.9
195.11292	29.4
197.05580	2.3
201.00595	3.1
201.04420	1.3
203.02115	4.9
204.05359	2.3
205.00142	1.9
205.03848	2.1
205.05511	2.5
207.01770	2.3
208.14449	61.2
209.12720	3.7
210.16008	1.5
213.00557	2.7
215.02203	1.9
219.01527	3.1
221.03262	2.0
229.03735	1.2
230.97974	1.5
231.01698	5.4
231.05171	1.6
233.03186	4.0
237.02666	2.9
248.98993	6.3
249.02824	14.3
254.14886	99.0
255.09477	2.0
255.15170	2.0
263.04166	1.7
267.00128	4.2
267.03821	6.8
272.04352	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	253.1796
Annotation	Elongatol F
Peak:m/z	Relative Intensity
53.03938	0.8
55.01866	1.1
55.05506	4.0
57.03416	1.6
57.07060	1.6
59.04974	0.9
61.02911	0.7
65.03934	0.8
66.10523	0.6
67.05499	10.2
69.03408	2.1
69.07063	5.1
69.69859	4.7
71.04968	2.1
79.05488	6.7
81.03410	1.6
81.06563	1.3
81.07049	24.3
83.04964	2.4
83.08604	2.2
85.02885	1.1
85.06514	2.1
91.05469	12.4
93.07035	14.6
93.88892	0.6
95.04961	14.4
95.08598	21.8
97.06526	6.1
97.10145	1.0
98.20799	0.8
98.98460	32.7
99.08076	2.0
105.07021	25.3
105.07619	0.4
105.07750	0.8
107.04931	1.7
107.08581	16.4
109.06513	15.2
109.10143	11.2
111.04420	2.1
111.08066	3.2
116.99470	0.8
117.06999	7.7
119.08571	22.1
121.02788	0.8
121.06479	2.8
121.10125	10.9
123.08054	3.7
123.11704	1.8
127.07576	0.8
128.06201	1.1
129.06976	2.2
131.08525	7.1
133.06467	0.7
133.10121	15.2
135.08038	3.2
135.11668	7.6
137.09593	3.0
139.07509	1.3
141.09033	0.8
142.07741	2.0
143.08571	4.4
144.09328	2.1
145.10072	4.3
147.07979	1.8
147.11676	8.8
149.09592	1.5
149.13248	5.7
151.11194	1.0
153.09128	1.5
157.10129	9.2
159.11681	37.6
160.12073	0.7
161.09616	5.3
161.13245	13.8
163.11200	1.6
163.14830	3.1
165.06935	2.4
165.09053	1.0
167.03406	1.0
171.11679	2.3
173.13213	2.2
174.03014	1.0
175.11203	2.2
175.14816	16.3
177.01860	1.1
177.11162	1.3
177.12723	23.5
178.13020	0.7
179.10715	0.9
182.07211	1.4
184.12311	0.8
189.12749	1.8
189.16359	11.3
191.03290	0.9
192.04044	1.0
193.15880	1.3
195.02945	0.8
195.13739	1.0
197.09570	0.8
199.14799	11.4
205.01337	8.2
207.17487	1.5
210.06712	1.5
217.15874	16.1
220.03661	3.1
223.02386	5.8
225.09109	3.4
229.28589	0.8
235.16910	28.1
238.04668	1.7
253.06845	13.5
253.17961	100.0
254.18295	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Elongatol F
Peak:m/z	Relative Intensity
53.03908	1.1
55.01871	1.2
55.05494	5.1
57.03435	1.3
63.68907	1.0
67.05500	10.1
69.03455	1.1
69.07047	5.2
70.59048	3.9
71.04975	2.9
75.04453	1.4
75.06442	1.1
79.05490	7.2
81.07053	36.2
83.04939	2.2
83.08609	3.1
85.06532	3.3
91.05476	17.2
93.07043	19.2
95.04966	20.1
95.08604	24.7
97.06525	7.0
97.10123	1.6
98.98458	15.2
99.04436	1.6
99.08086	2.5
105.07026	31.4
107.08585	21.5
109.06509	19.2
109.10151	13.7
111.08050	3.0
117.06995	11.4
118.06474	1.0
119.08582	30.7
120.08106	1.5
121.06477	3.6
121.08419	4.0
121.10128	14.5
123.08052	5.1
123.11728	2.3
125.09613	2.6
131.08568	8.4
133.10127	21.0
135.08075	5.3
135.11684	12.8
136.06192	2.5
137.04585	1.6
137.06667	1.2
137.09604	3.6
137.13271	1.4
139.07512	1.3
142.07765	3.6
143.08574	6.3
144.09315	4.3
145.10092	4.1
147.08089	2.1
147.11693	14.7
149.09561	2.6
149.13260	10.3
156.09262	1.7
157.10127	16.5
159.11685	69.2
161.09607	5.5
161.13231	21.9
163.11153	2.2
163.14819	2.7
171.11708	3.1
173.13231	3.7
175.11168	4.1
175.14815	27.5
177.12743	32.8
179.10641	1.5
184.12485	1.3
189.12733	1.5
189.16377	16.5
193.15834	2.9
195.13675	1.1
199.14804	18.0
207.08376	3.1
207.17517	2.4
217.15886	29.4
226.10425	1.1
226.86684	1.1
235.16914	38.3
236.07968	1.2
253.17972	100.0
254.18404	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Cyperusol D
Peak:m/z	Relative Intensity
53.03939	1.3
55.01863	1.8
55.05499	6.1
57.03426	1.3
57.07064	1.4
61.02908	3.3
67.05222	0.8
67.05502	8.3
69.03426	0.9
69.07058	6.8
70.43935	3.2
71.04980	0.9
73.02924	1.0
79.05486	8.4
79.20077	0.7
81.03410	1.6
81.07056	26.9
83.04981	7.2
83.08601	3.1
85.06490	0.9
86.10422	0.6
90.70116	0.7
91.03956	2.5
91.05480	6.2
91.17693	0.8
93.07042	9.5
94.23083	0.8
95.04978	3.4
95.08604	14.1
97.06521	4.1
97.10168	4.3
98.21394	1.0
98.98464	25.3
105.07025	14.7
107.04952	2.1
107.08595	12.6
109.06511	2.8
109.10148	9.9
111.04443	6.3
111.08063	1.6
111.11705	1.6
115.05424	0.8
116.99455	0.9
117.06994	2.5
119.08575	10.9
121.06511	1.6
121.10152	5.2
123.08053	2.9
123.11691	2.2
125.06001	1.4
125.09627	0.9
127.07578	1.9
128.06226	1.2
129.07010	1.9
131.08571	3.9
133.09372	0.7
133.10143	7.0
134.41203	0.8
135.08011	3.0
135.11702	2.3
137.09584	1.0
137.13190	0.7
139.07506	1.6
142.07776	1.0
143.07050	1.1
143.08546	4.5
145.10127	2.8
147.07979	1.8
147.11655	3.4
149.02312	2.4
149.13268	1.3
153.06946	1.6
153.09116	4.3
154.07726	2.3
155.10635	1.7
157.08553	2.0
157.10085	4.2
159.11678	4.1
161.09576	1.8
161.13248	14.9
161.14566	0.9
163.14804	9.3
165.05569	1.1
165.06993	11.8
165.09149	2.3
167.03494	0.7
167.08557	1.0
167.10677	1.1
168.03006	0.7
171.11653	1.6
173.13284	2.3
174.03217	0.8
177.01822	2.1
177.12685	1.1
179.08577	1.5
179.10699	1.6
181.06477	2.8
182.07259	8.6
183.10199	3.9
185.06058	1.1
187.14851	2.9
189.16335	3.1
191.03371	2.0
192.04082	1.5
193.06566	1.0
195.02882	2.6
197.09633	3.8
197.11612	1.5
199.14838	6.9
205.01324	17.2
205.15924	1.8
207.08047	0.9
210.06772	6.2
210.09866	0.7
217.15884	6.7
219.02850	1.4
220.03603	8.2
221.06107	1.1
223.00330	1.4
223.02368	12.6
225.09102	19.0
226.09404	1.5
235.07597	1.0
235.16930	27.7
238.04404	4.5
239.95966	0.9
253.06721	27.3
253.09111	3.1
253.17975	100.0
254.07150	1.1
254.18324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Kikkanol E
Peak:m/z	Relative Intensity
55.01871	1.8
55.05305	0.3
55.05512	4.0
57.03432	1.0
61.02923	1.8
62.35212	0.4
63.58934	0.3
67.05173	0.5
67.05504	9.4
69.07065	5.1
70.28718	1.4
71.04978	0.3
73.02900	0.9
79.05489	5.2
80.14830	0.4
81.03416	2.1
81.07056	15.0
83.04985	4.2
83.08601	1.8
85.06542	0.5
91.03947	1.6
91.05484	3.9
93.07045	7.6
94.56273	0.4
95.04961	2.5
95.08610	12.0
97.06521	3.7
97.10166	3.7
98.98461	1.8
101.06014	0.4
104.31126	0.4
105.07036	10.4
107.04966	1.8
107.08595	10.6
109.06480	2.0
109.10155	9.6
109.10909	0.5
111.04435	9.0
111.08064	1.5
111.11716	2.0
113.06043	0.6
117.07018	2.0
119.08573	6.2
121.06492	1.4
121.10145	3.6
123.08054	1.5
123.11745	1.8
125.05981	1.6
127.07574	2.4
128.06209	0.6
129.05461	0.8
129.07004	1.2
131.08568	2.7
133.10117	4.5
135.08063	3.5
135.11668	1.7
137.09613	0.4
139.07556	1.8
142.07773	0.9
143.07039	0.9
143.08557	3.3
145.10124	2.8
147.08006	1.0
147.11708	2.7
149.09589	0.5
149.13271	2.0
153.09091	4.1
157.08638	1.9
157.10135	3.7
159.11691	3.5
161.09587	0.6
161.13249	10.8
163.14813	7.9
165.09055	1.9
171.11699	1.4
173.13271	1.3
175.11157	0.5
175.14845	0.8
177.12700	0.4
179.10699	0.6
187.14842	2.4
189.03613	0.4
189.12729	0.4
189.16362	2.3
189.64027	0.4
199.14828	5.4
205.15887	1.6
217.15852	5.1
235.16925	27.4
236.17290	0.6
253.17986	100.0
254.18336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Chrysandiol
Peak:m/z	Relative Intensity
50.08306	0.4
53.03923	0.5
55.01874	1.5
55.05506	4.0
57.03416	1.4
61.02916	1.4
67.05176	0.6
67.05505	7.6
69.03414	0.9
69.07069	4.0
70.87680	1.4
71.04993	0.8
73.02911	1.0
74.96560	0.5
79.05497	5.0
81.03408	1.5
81.06579	0.8
81.07057	14.8
83.04982	4.1
83.08584	1.0
91.03934	1.1
91.05470	4.2
93.07040	7.8
95.04962	3.0
95.08608	11.1
97.06549	3.6
97.10160	2.9
98.98473	10.5
99.04491	0.4
99.08073	1.1
105.07028	10.7
107.04971	2.5
107.08594	9.4
109.06498	2.4
109.09465	0.8
109.10160	9.6
110.51622	0.4
111.04433	7.3
111.08083	1.5
111.11716	2.0
115.05354	0.4
117.07018	1.8
119.08588	5.7
121.06480	1.3
121.10136	4.1
123.08133	2.2
123.10903	0.5
123.11703	1.9
125.05998	1.2
127.07568	2.4
128.06216	0.6
129.05431	0.7
129.06995	1.0
131.08568	3.7
133.06490	0.6
133.10117	3.6
135.08026	3.5
135.11700	1.2
139.07558	1.3
143.07033	0.5
143.08548	2.7
145.10146	2.3
147.08098	0.8
147.11716	2.8
149.13245	1.8
153.09119	4.0
157.08597	1.8
157.10114	2.8
159.11703	4.8
161.09586	1.1
161.13246	10.0
162.13600	0.5
163.14806	6.8
165.09132	1.7
171.11711	1.1
173.13286	2.2
175.11168	0.6
175.14845	0.9
179.10675	0.7
183.10268	0.5
184.12437	0.7
187.14783	2.5
189.12779	1.0
189.16412	2.0
191.03442	1.2
191.08646	0.7
199.14793	5.8
205.01349	1.5
205.15941	1.1
217.15880	5.6
220.03619	1.1
223.02409	4.1
225.09123	1.0
235.16925	29.2
236.17188	0.5
237.09334	0.5
238.04678	1.6
253.07056	8.4
253.17987	100.0
254.18332	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Elongatol F
Peak:m/z	Relative Intensity
53.03932	1.9
54.24728	1.2
55.01862	2.2
55.05497	7.0
57.03422	3.2
57.07093	3.1
59.04992	1.3
65.03938	1.6
67.05502	15.1
69.03416	3.5
69.07066	8.1
71.04982	5.3
71.60364	2.3
74.98583	1.2
75.04459	1.5
79.05482	14.6
81.03387	2.0
81.07055	35.3
82.07381	2.6
83.04973	3.8
83.08625	2.7
85.02872	2.4
85.06525	2.9
86.09687	2.6
91.04951	1.9
91.05472	19.8
93.07037	22.9
95.04366	2.0
95.04956	23.5
95.08601	23.5
97.06502	9.3
97.10146	1.2
98.98460	100.0
99.04475	1.3
99.08057	3.1
103.05466	1.4
105.06370	2.5
105.07027	34.0
107.04934	3.5
107.08581	20.6
109.06523	18.2
109.10145	15.4
111.08055	2.4
112.26788	1.3
114.66385	1.2
115.05447	1.6
116.98714	1.5
116.99488	4.1
117.07005	12.1
119.03540	2.4
119.08572	28.9
120.08135	2.2
121.02879	2.3
121.06487	5.7
121.08399	1.7
121.10134	13.3
123.04469	1.4
123.08057	5.3
125.09624	2.0
127.11203	1.4
129.07013	1.8
131.08551	8.8
133.10135	22.3
135.08041	3.1
135.11685	12.4
136.06178	80.4
137.04544	19.6
137.05725	8.0
137.06653	55.4
137.09605	3.4
138.04965	1.5
138.67647	1.3
140.01053	1.3
142.07724	2.1
143.08530	5.7
144.09338	2.9
145.10104	4.9
147.04390	1.3
147.08061	2.3
147.11671	13.0
149.09641	2.6
149.13261	6.6
151.07529	1.9
157.10098	11.5
159.11693	50.0
160.12151	1.6
161.09602	5.1
161.13271	13.2
163.07481	1.5
163.11139	4.0
164.04738	1.5
165.07030	3.8
171.11676	4.3
173.13350	1.8
174.99220	1.9
175.11143	3.7
175.14827	22.4
177.12737	28.1
177.14204	2.0
179.07057	16.4
179.08546	2.5
179.10703	2.3
181.08595	5.4
182.07277	1.9
189.12744	2.3
189.16362	13.1
193.08594	1.6
193.15993	2.0
197.05954	1.5
197.11697	1.7
199.14828	11.6
207.08153	3.1
207.10020	1.7
207.17570	1.5
217.15903	16.4
225.09097	2.4
235.09811	1.6
235.13768	23.9
235.16895	26.2
238.06215	1.7
253.08961	6.0
253.10674	2.2
253.14838	73.7
253.17960	98.0
254.15318	1.4
259.02179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Elongatol C
Peak:m/z	Relative Intensity
51.29242	1.5
55.01845	1.3
55.05502	5.5
57.07058	1.5
59.26927	1.3
67.05503	12.4
69.07047	5.5
70.43949	1.7
70.44293	5.5
71.04998	3.2
79.05484	9.2
81.07053	34.7
83.08582	2.4
85.06538	3.6
91.05471	18.7
93.07036	19.3
95.04966	23.8
95.08046	2.6
95.08604	28.6
97.06526	8.0
98.98464	29.7
99.08099	3.0
105.07025	30.4
107.04961	2.4
107.08591	20.0
109.06513	22.4
109.10153	15.8
111.08047	2.0
115.05511	1.5
117.07055	12.1
117.79238	1.6
119.08578	30.7
121.06489	3.9
121.10113	12.1
123.08040	4.3
123.11709	2.7
129.06973	2.0
131.08545	8.2
131.97580	1.5
133.10123	27.0
135.08020	3.6
135.11662	11.4
137.09630	1.7
142.07744	3.1
143.08543	5.6
144.09335	3.7
145.10107	5.7
147.08115	2.1
147.11685	14.5
149.09608	3.1
149.13231	6.8
157.10149	14.6
159.11688	61.2
161.09647	5.5
161.13235	15.9
163.11136	2.7
171.11705	3.0
173.13260	4.3
175.11203	3.6
175.14821	21.9
177.12762	38.6
189.16376	12.8
193.15857	3.5
195.13930	1.8
199.14832	11.0
217.15875	22.4
235.16946	29.6
235.19283	1.9
253.17986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
55.01878	1.9
55.05507	16.7
57.03433	7.4
57.07064	2.6
64.37015	1.4
67.05503	16.8
69.07063	20.1
70.67776	4.2
71.04979	3.6
75.04478	5.6
79.05477	14.3
81.07054	45.8
83.04980	7.8
83.08613	10.0
90.13612	1.6
91.05482	13.4
93.07037	24.0
95.04977	9.9
95.08603	60.0
97.06521	7.3
97.10180	3.5
98.98457	25.3
98.99041	2.2
99.04467	2.9
105.07021	31.9
107.04939	2.1
107.08593	17.4
109.06502	14.3
109.10163	15.4
111.04503	1.8
111.08089	4.4
113.06035	3.2
115.10149	1.6
117.07014	2.9
119.08572	29.6
121.06493	5.7
121.10133	15.1
122.74100	1.5
123.08068	12.0
123.11709	3.9
125.05990	2.4
129.05493	3.9
129.07036	2.8
130.07632	1.6
131.08568	6.1
133.09262	2.0
133.10136	22.6
135.08052	2.1
135.11694	13.0
137.09656	2.9
137.13269	6.0
139.07539	4.4
142.07895	1.6
143.08569	6.1
144.09390	2.7
145.10094	4.3
147.08022	3.0
147.11668	11.9
149.09586	3.0
149.13240	6.6
153.09152	3.1
157.10107	11.4
159.11690	41.0
161.09631	5.7
161.13251	40.6
167.10753	4.6
171.10196	1.7
171.11673	2.9
175.11197	3.9
175.14819	3.3
177.12715	18.0
179.10689	3.7
179.14345	2.8
189.16351	17.5
197.11661	2.8
199.14793	9.8
207.17511	3.8
217.15887	45.1
235.16914	100.0
251.52121	2.0
253.17986	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	253.1796
Annotation	Mitchellene E
Peak:m/z	Relative Intensity
53.03930	3.5
55.01855	2.0
55.05505	11.4
57.03441	6.6
57.07056	6.0
61.02922	11.5
64.04815	1.3
67.05502	12.6
69.03398	3.8
69.06721	1.7
69.07063	22.9
69.66539	9.8
71.04971	4.8
71.08612	3.5
77.30055	1.3
79.05490	19.0
81.03387	2.8
81.07050	45.8
83.04979	11.5
83.08601	5.1
85.06512	2.0
91.03936	7.9
91.05480	16.4
93.07041	25.8
95.04962	9.9
95.08601	26.4
97.02850	1.6
97.06496	5.4
97.10155	1.7
98.21399	2.6
98.98460	100.0
105.03395	9.4
105.07019	38.5
107.04913	2.0
107.08583	30.7
109.06514	4.6
109.10153	13.0
111.04425	4.6
111.08083	3.7
113.05952	1.4
115.48149	1.4
116.99483	3.7
117.07005	3.8
119.08581	26.9
121.06483	3.6
121.10125	17.0
123.08056	4.3
123.11699	4.3
125.06001	2.7
125.09611	3.4
127.07504	1.5
129.07033	1.7
131.08548	11.7
133.10123	17.0
135.08052	4.0
135.11678	6.0
137.09625	2.6
139.07547	1.3
141.05403	1.3
141.06956	2.6
142.07742	1.8
143.08543	7.8
144.09344	2.6
145.10091	6.8
147.08002	2.4
147.11688	7.2
149.09561	3.7
149.13225	5.0
153.06929	2.2
153.09111	2.2
155.10686	2.6
156.09238	2.2
157.10123	8.9
159.11700	19.4
160.83177	1.5
161.09654	7.0
161.13246	35.9
163.13411	2.0
163.14799	38.3
165.07002	6.7
165.09102	3.3
167.10693	3.0
169.08611	1.9
171.11662	2.7
173.13235	5.5
175.11192	2.5
175.14769	3.3
176.07047	4.8
176.98851	2.3
177.01941	1.8
177.12759	3.9
179.08629	1.4
179.10669	5.2
181.06639	2.0
182.07265	5.5
183.10219	10.6
184.12491	1.7
185.11711	3.9
187.14882	6.8
189.16357	7.8
192.09454	1.9
192.60310	1.5
195.02792	1.4
195.07919	2.0
197.05957	1.8
197.07973	1.8
197.09641	4.6
197.11728	8.5
199.14807	12.0
205.01300	7.2
205.15826	2.7
207.08069	1.7
210.06696	4.1
211.07452	1.7
217.15868	16.9
220.03593	3.3
223.02365	5.9
223.07637	2.0
225.09114	11.0
235.07487	2.0
235.16911	33.8
238.04839	2.2
253.07022	12.3
253.08896	5.8
253.12540	12.0
253.17978	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01854	1.4
55.05502	11.0
57.03429	6.0
57.07069	1.9
59.05008	1.6
60.30147	1.3
65.03944	1.2
67.05500	11.3
69.03407	2.2
69.07067	10.7
71.04984	7.3
71.41223	3.3
75.04474	5.0
77.03992	1.5
79.05489	18.3
81.06577	2.4
81.07050	42.5
83.04979	2.6
83.08609	4.6
85.06531	3.4
89.73508	1.2
91.05471	15.3
93.07036	38.7
95.04971	9.0
95.08604	31.2
97.06514	6.2
98.98458	20.0
99.04455	6.8
99.08092	2.8
105.07020	48.7
107.04928	2.0
107.08589	18.7
109.06510	9.6
109.10162	13.0
112.44250	1.2
113.05988	1.7
117.07002	4.7
119.08581	40.4
121.06498	3.5
121.10139	40.0
121.11013	2.2
123.08072	4.0
125.09624	1.7
128.06250	2.4
129.07004	2.8
131.08534	9.2
133.10135	23.3
135.08058	2.8
135.11694	13.2
137.05945	2.3
137.09583	1.6
137.13206	7.8
138.24907	1.3
142.07755	2.0
143.08533	6.4
144.09326	4.9
145.10120	5.6
147.11693	15.9
149.09586	3.3
149.13229	8.6
151.02553	1.4
151.11224	1.9
153.09094	1.9
157.10127	15.4
159.11696	65.0
159.13045	3.1
160.12151	1.5
161.09615	5.4
161.13248	46.6
162.13620	1.5
165.07066	1.9
165.12735	1.9
171.11716	1.3
172.58449	1.3
173.13226	1.7
174.59735	1.3
175.11134	7.0
175.14853	3.6
177.12744	38.9
178.07851	1.4
179.10612	3.7
179.14296	15.6
182.07176	2.2
189.16283	8.1
191.14355	1.7
193.15848	7.6
199.14757	14.1
205.01311	3.8
205.15935	1.8
207.17464	2.5
210.06764	1.7
211.09663	1.9
217.15895	36.8
218.16315	1.4
223.02353	2.1
225.08998	6.6
235.16916	100.0
236.17253	3.0
253.06699	2.6
253.08867	3.3
253.17966	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Elongatol F
Peak:m/z	Relative Intensity
55.01852	1.2
55.05508	4.2
57.07070	1.0
59.05002	0.9
65.03938	1.4
67.05222	0.9
67.05505	8.2
69.03440	0.7
69.07053	3.5
70.71434	2.9
71.04985	2.3
79.05489	5.2
81.07053	26.1
83.04968	1.1
83.08606	1.5
85.06530	2.2
91.05473	12.0
92.46715	0.7
93.07045	14.5
95.04363	1.0
95.04970	15.0
95.08046	1.5
95.08602	20.9
97.06527	4.4
97.10150	1.6
97.39810	0.8
98.98463	15.7
99.08091	2.8
105.07027	22.6
107.04942	1.2
107.07958	1.1
107.08598	13.4
109.06513	17.2
109.10149	10.4
111.08083	2.0
117.07016	7.7
119.04876	1.1
119.07791	1.6
119.08578	24.1
121.06461	3.0
121.10156	11.4
123.08067	4.8
123.11697	1.9
125.09617	1.5
129.07004	1.0
131.08557	6.1
133.09233	1.4
133.10141	19.0
134.10646	0.9
135.08014	2.9
135.11697	8.0
136.06168	3.3
137.06575	1.9
137.09595	2.3
139.11096	0.9
142.07777	2.0
143.08548	3.8
144.09341	1.8
145.10130	4.6
147.08066	1.6
147.11690	11.6
149.09625	2.0
149.13231	6.3
157.10121	10.3
159.11688	47.8
161.09663	4.0
161.13255	13.2
163.11198	1.9
163.14786	1.2
170.10843	1.2
171.11722	2.6
173.13239	2.5
175.11209	2.3
175.14816	22.8
177.12755	27.1
179.07030	2.3
182.03802	0.8
189.12733	1.2
189.16393	12.7
193.15852	2.1
195.13763	2.5
199.14813	9.6
205.15865	0.9
207.17398	1.4
217.15880	20.5
222.07552	1.0
235.13496	1.6
235.16931	26.7
253.17972	100.0
254.18346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1182
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.03949	1.0
55.05506	1.4
55.50454	0.4
56.96560	1.8
57.03432	0.6
57.07059	1.9
60.04524	46.8
61.02940	0.5
65.03955	0.5
67.05505	2.1
69.03426	1.6
69.07084	2.3
70.02964	0.6
70.06573	0.7
71.04983	1.7
71.55697	0.6
79.05497	1.9
81.03412	1.4
81.04520	3.7
81.07052	4.2
83.04985	2.2
83.08604	0.8
84.08151	1.0
85.02896	1.8
85.06519	0.7
86.09692	1.1
86.53696	0.5
87.05592	1.6
91.05480	2.1
93.07059	2.7
95.04972	1.7
95.08610	3.5
97.02886	1.7
98.98463	100.0
99.04491	0.5
100.98895	1.8
103.05461	2.1
105.07037	3.1
107.04940	1.3
107.08594	1.5
109.10156	1.8
110.07146	1.5
111.04414	3.7
116.98622	2.0
116.99502	3.4
119.04939	0.4
119.08575	1.3
120.08103	76.5
121.02867	2.1
121.06463	0.5
121.08427	1.5
121.10122	1.4
122.06107	1.1
122.07159	1.7
123.04444	1.1
123.11726	0.7
124.08712	2.3
126.02944	0.5
128.98627	0.6
131.04912	2.2
131.08575	0.6
132.08067	0.6
133.10135	1.2
134.99669	1.3
135.08054	0.7
135.11627	0.6
137.05928	0.6
139.03914	2.2
141.05420	1.3
144.08075	2.4
147.11627	0.7
149.06009	1.2
151.03899	0.6
155.02847	0.6
159.03101	0.6
159.11711	0.9
161.04631	0.6
161.07082	1.4
161.13257	1.6
162.09142	1.6
164.03300	0.7
166.08636	46.0
167.09032	0.7
170.99648	0.6
174.99229	1.6
176.98975	1.4
177.00719	1.9
179.10562	0.9
189.10132	0.5
190.03159	0.9
193.05008	0.7
197.11726	1.8
197.13252	0.5
206.08057	0.9
207.11285	11.8
217.15887	0.5
217.19855	0.5
219.05057	0.7
225.05510	0.9
225.07603	1.8
225.17079	2.5
235.10980	2.5
235.16859	0.7
236.03867	0.5
244.09581	2.6
253.06435	2.6
253.08899	1.7
253.11963	6.6
253.16243	4.8
255.60442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
51.62237	0.8
53.03931	3.1
55.01624	0.9
55.01873	10.8
55.05508	9.6
57.03431	4.5
57.07068	2.3
61.67257	1.0
65.03927	1.6
67.05503	49.2
69.03419	3.6
69.07065	10.3
69.46227	4.0
69.46665	4.1
71.04993	4.4
73.02906	0.8
79.05055	1.5
79.05490	22.0
81.03419	6.2
81.07056	46.9
83.04987	8.6
83.08607	2.7
85.06545	5.7
91.05482	37.1
91.05967	0.6
91.06068	0.9
93.07044	15.2
94.21153	0.8
95.04980	6.4
95.08598	8.2
97.06509	3.9
98.98469	58.6
99.04440	2.4
105.07029	32.7
107.04942	1.9
107.08594	26.5
109.06515	5.8
109.10154	46.9
113.06017	2.3
116.99490	1.8
117.06998	2.4
119.08582	4.8
121.10223	1.0
123.11702	8.7
127.07548	2.6
128.06242	1.3
131.08566	2.6
133.10129	59.2
134.10483	1.1
140.01099	1.7
143.08575	2.2
151.09946	1.6
151.11180	30.6
155.08511	2.0
157.10133	1.2
159.11694	1.2
161.09625	2.7
169.10063	1.1
169.12253	5.6
179.10622	1.5
183.11604	0.9
191.83452	0.7
197.13255	2.3
197.16661	1.0
215.12730	1.2
225.16255	1.2
253.14357	100.0
253.19609	4.3
254.14694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.107
Annotation	3-O-Acetylniduloic acid
Peak:m/z	Relative Intensity
50.29489	1.0
55.01868	1.5
55.05503	2.0
57.03429	1.0
67.05499	1.7
69.07058	2.1
71.64665	1.6
79.05483	3.9
81.07037	3.0
82.25440	0.8
85.06579	0.9
91.05470	5.0
93.07057	1.9
95.08577	2.6
98.98462	49.1
99.08109	0.9
103.05449	1.4
105.07037	9.0
107.08601	1.3
109.06524	3.2
115.05437	4.4
116.31065	1.2
116.99469	1.3
119.04938	6.7
119.08598	1.1
121.06496	1.2
122.03642	2.8
123.01727	0.9
123.08025	1.0
123.11628	1.1
132.05713	0.9
133.06470	6.9
133.10138	2.2
137.05971	100.0
143.04921	1.3
147.04416	12.3
147.08026	2.2
151.07562	5.1
153.05432	10.2
154.06239	0.9
160.05150	1.6
161.05945	3.9
163.03989	1.2
165.09032	1.9
167.07024	1.6
175.07530	2.0
178.06216	2.0
179.07054	14.3
193.08574	10.9
196.07314	4.3
197.11673	1.8
197.13387	1.1
203.07021	1.3
207.10133	9.5
211.09648	99.7
212.09953	1.3
235.09647	15.0
253.10640	9.4
253.14296	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	253.0704
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
58.74117	0.3
59.25854	0.4
62.32275	0.3
65.68478	0.4
67.23046	0.4
70.56433	1.0
70.56826	0.6
75.96523	0.4
79.05467	0.9
81.07027	1.5
83.04963	1.5
87.32162	0.4
91.05463	0.5
93.07037	0.6
95.01315	0.4
95.08596	0.6
96.37318	0.4
97.06493	0.4
98.98460	3.2
105.07021	0.5
108.05752	0.6
109.10151	0.5
118.04089	0.9
119.08519	0.7
121.02861	1.4
123.00784	1.0
133.10060	0.5
135.00647	0.5
135.04391	0.9
136.05176	1.1
139.03857	1.5
146.03592	1.4
147.04375	1.0
149.02353	3.6
161.13287	0.7
163.03909	1.9
163.14824	0.5
164.04688	2.0
165.01799	0.7
165.05736	0.5
165.06955	2.1
167.03378	2.4
174.03113	2.3
175.03842	0.5
177.01822	7.8
179.03328	1.6
181.06439	0.4
182.07263	1.2
190.02510	0.7
191.03383	5.5
192.04149	2.7
193.04921	1.3
194.02072	1.2
195.02856	5.4
197.09601	0.6
198.88332	0.4
205.01308	46.8
206.01668	0.9
207.02867	2.5
209.04453	4.0
210.06837	0.9
217.15665	0.4
219.02878	2.6
220.03653	27.3
223.02361	35.1
224.02713	0.5
225.09045	3.6
234.79379	0.4
235.16940	1.1
237.03789	0.6
238.04688	17.5
246.03947	0.7
253.07028	100.0
253.17863	3.4
254.07330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0858
Annotation	Dehydroeffusal
Peak:m/z	Relative Intensity
55.05507	1.1
67.01862	1.2
67.05502	2.4
67.41672	0.5
69.03431	1.1
69.07056	1.6
69.66740	2.5
69.67175	1.1
69.95677	0.5
79.05495	1.7
81.07056	4.1
83.04955	0.8
83.08647	0.7
91.05488	1.8
93.07047	2.6
95.04971	1.3
95.08589	3.3
97.06503	0.8
98.98459	19.4
105.07026	3.1
107.08580	1.7
109.06526	0.6
109.10143	1.5
111.04453	1.2
116.99487	0.9
117.07024	0.7
118.04173	0.6
119.08572	1.8
121.02875	0.5
121.10140	1.0
123.07960	0.5
125.09641	0.5
129.07072	0.6
133.06470	0.6
133.10123	1.1
135.08022	0.6
135.11655	0.9
137.06058	0.9
139.03873	0.5
139.05415	0.6
139.11292	0.6
141.06993	1.9
143.08542	0.7
145.10085	0.9
146.03577	0.7
147.08066	0.6
147.11685	0.9
149.02341	1.3
149.13226	0.7
152.06139	2.4
153.07022	4.1
153.09027	0.6
154.07762	7.1
155.04924	0.6
157.06468	0.5
157.10106	1.3
159.11671	1.0
161.05981	0.6
161.09570	0.6
161.13280	2.4
163.14864	0.8
164.06165	0.7
165.06992	51.2
166.07774	7.2
167.03413	0.8
167.05005	0.4
167.08562	3.3
168.05692	2.6
169.06451	0.6
169.10185	0.5
171.08142	0.5
174.03062	0.8
175.07570	1.0
175.11295	0.5
176.06328	0.7
177.01883	1.1
177.07021	1.0
178.07793	1.4
179.08524	1.6
181.06468	11.4
182.07268	34.7
183.08121	3.0
185.05920	4.1
187.01257	0.5
187.14908	0.7
189.16463	0.5
191.03395	1.1
192.04156	1.0
192.05699	3.5
193.06430	1.0
194.07323	2.1
195.02881	1.6
195.08105	2.4
196.08855	0.7
197.07770	1.0
197.09612	19.2
199.14848	0.6
203.08653	0.6
205.01314	11.2
207.02864	0.6
207.08040	5.8
208.08766	0.7
209.04376	0.8
209.06126	1.1
210.06772	15.7
210.08893	1.2
211.07396	0.8
217.15869	2.1
219.02945	1.1
220.03471	4.8
220.05324	1.7
220.08772	0.8
221.05954	1.0
223.02376	8.3
224.08333	8.9
224.10498	0.6
225.09090	100.0
226.09460	3.1
235.07524	9.1
235.16951	3.7
238.04677	2.2
238.06380	1.9
238.10023	1.1
253.08893	56.3
253.12427	8.2
253.17934	11.1
254.09045	1.8
254.11800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35447	0.5
55.01859	1.3
55.05487	1.8
57.03416	0.6
57.07048	0.6
62.47555	0.5
67.05504	3.4
69.03403	1.9
69.07047	2.3
70.21606	0.9
70.22021	1.8
71.04983	1.0
72.88049	0.5
79.05482	3.3
81.03410	0.9
81.07050	7.6
83.04971	2.3
83.08624	0.8
86.09690	0.6
91.05460	1.8
93.07045	4.1
95.04935	2.6
95.08595	4.8
97.02851	0.6
97.06517	2.2
97.10177	0.9
98.98460	33.1
99.08089	1.9
100.98855	0.7
103.05475	0.8
105.07033	5.4
107.04935	1.6
107.08575	4.2
108.02072	0.5
108.05694	0.6
109.06502	2.5
109.10144	3.0
111.04401	1.7
116.99487	1.2
117.06976	0.9
118.04149	1.0
119.04950	0.8
119.08568	4.4
121.02854	1.4
121.06454	0.9
121.10104	2.2
123.00717	0.6
123.07986	0.9
123.11694	0.7
127.07526	0.7
129.05424	0.8
131.08533	1.5
133.06409	0.5
133.10127	3.3
135.04410	0.8
135.07997	1.6
135.11702	1.0
136.05159	0.8
137.05939	2.9
139.03894	2.5
139.07541	0.5
141.05411	0.6
143.08566	0.9
145.10103	1.8
146.03610	2.0
147.04370	1.8
147.11639	1.7
149.02319	5.5
149.09572	0.8
149.13274	0.7
151.03918	0.7
151.07573	0.9
153.05408	0.8
153.09070	0.7
157.10069	1.5
159.11690	3.3
161.13290	2.9
161.14389	0.5
163.03899	2.6
163.14790	1.1
164.04694	3.5
165.01843	0.6
165.06934	1.3
167.03381	5.2
171.11667	0.9
173.09715	0.7
173.13292	0.6
174.03139	1.6
175.03847	0.7
175.14859	0.6
177.01833	8.4
177.12727	1.9
178.02547	0.6
179.03348	1.8
179.10623	0.6
180.00478	0.7
189.12669	0.8
189.16359	1.0
190.02608	0.7
191.03374	9.6
192.04175	4.6
192.08707	1.1
193.04863	1.0
193.06462	0.9
193.09155	1.6
194.02086	0.9
195.02881	6.2
197.11737	0.6
199.14774	1.6
205.01315	41.5
207.02893	4.5
209.04529	3.9
209.08037	0.9
210.06793	1.0
211.09660	2.4
217.15829	2.1
219.02890	3.7
220.03671	22.0
221.00793	1.2
221.08638	0.7
223.02367	44.9
225.09084	1.6
234.04279	0.5
235.13200	0.6
235.16895	5.6
237.03853	2.0
238.04680	18.5
238.08456	1.1
253.07027	100.0
253.17990	12.8
254.07332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
52.91470	0.6
53.50017	0.6
55.01860	1.3
56.35411	0.5
60.04531	0.9
67.05486	0.7
71.64566	0.7
79.05484	2.5
81.07047	0.8
91.05481	1.4
95.04967	0.7
95.08617	0.8
98.98463	28.2
103.05447	3.1
105.07028	28.9
115.05450	5.1
117.07017	0.6
118.04144	1.7
131.04884	0.8
132.05675	1.1
132.08061	2.2
133.06487	26.6
143.04939	1.0
143.06044	1.6
146.05981	0.8
149.05949	0.8
159.11769	0.6
160.07576	31.2
161.05981	32.2
167.07063	3.9
168.53761	0.6
176.06943	1.0
178.06271	1.0
178.08638	1.5
187.00639	0.6
188.07048	4.2
191.09415	27.4
192.10040	0.8
193.08611	39.6
194.08067	0.8
206.08116	11.4
208.09709	3.7
210.11227	6.8
219.08890	7.8
220.09682	2.4
222.07578	3.8
236.09143	1.8
237.09967	13.5
252.12315	100.0
253.12585	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	252.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09341	0.3
55.05515	0.8
57.03435	0.4
70.69848	0.7
79.05483	1.1
80.30279	0.3
81.07045	3.1
85.38737	0.3
86.09676	0.3
91.05466	0.4
94.04053	1.4
98.98466	3.8
105.07024	0.5
107.08554	0.5
108.08926	0.3
111.67636	0.2
119.03549	2.5
119.08521	0.3
136.06177	100.0
137.04593	1.9
137.05527	0.3
137.06604	0.4
148.11990	0.3
152.11435	0.3
153.50565	0.3
159.11650	0.3
184.02681	0.3
192.06512	0.3
200.75414	0.3
213.00690	0.3
234.13489	15.0
241.15326	0.3
252.14540	53.5
253.14752	0.8
253.17995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80577	0.4
55.01864	0.9
55.05495	1.3
57.03415	0.6
57.07056	0.5
59.36108	0.4
61.02938	0.5
65.03928	0.5
67.05503	2.6
69.03419	2.0
69.07055	1.7
70.62907	0.8
70.63308	0.9
71.04974	0.6
73.00115	0.4
79.05489	3.1
81.03388	0.8
81.07056	6.2
83.04975	2.7
83.08574	0.7
85.02895	0.6
85.06528	0.9
86.92822	0.4
91.05463	2.8
93.07037	3.4
95.04949	2.9
95.08600	5.7
95.73161	0.4
97.06535	2.0
98.98463	21.1
99.08060	0.7
103.05491	0.6
105.07034	4.8
107.01243	0.4
107.04936	0.8
107.08594	4.1
108.05730	0.6
109.06502	1.4
109.10172	2.3
111.04427	1.6
111.08069	1.0
117.07021	1.3
118.04145	1.0
119.04974	0.6
119.08562	3.8
121.02842	1.1
121.06488	1.3
121.10127	1.6
122.03642	0.5
123.00756	0.6
123.04410	0.7
123.08035	1.4
123.11725	0.8
125.05933	0.5
127.07550	0.8
129.05482	1.1
129.06981	0.8
131.08536	1.5
133.02821	0.7
133.10123	2.4
135.04372	0.7
135.08020	1.7
135.11668	1.2
136.05182	1.4
137.05978	2.4
139.03876	1.5
139.07532	0.5
143.08521	1.1
145.10136	2.6
146.03581	1.1
147.04369	2.0
147.08049	0.9
147.11661	1.9
149.02342	4.9
149.09663	0.6
149.13252	0.6
151.07573	0.5
151.11183	0.6
153.05453	0.7
153.09087	0.6
155.07115	0.5
157.10118	1.5
159.11691	3.2
161.09602	0.8
161.13264	3.2
163.03912	1.9
163.11215	0.9
163.14825	0.8
164.04662	2.9
165.01698	0.5
165.06961	1.0
167.03401	3.6
171.11647	1.0
173.09628	0.5
173.13203	1.3
174.03111	1.4
175.11143	0.7
175.14812	0.9
177.01796	5.5
177.12729	1.1
179.03351	1.3
179.06982	0.5
180.00575	0.7
182.07257	0.6
187.11215	0.5
187.14853	0.8
189.12700	1.0
189.16362	0.9
191.03380	10.1
191.14085	0.4
192.04184	4.6
193.05020	1.0
193.09164	1.2
194.02071	0.6
195.02908	5.6
197.44756	0.4
199.14848	1.5
203.03297	0.4
205.01315	30.1
205.12175	0.8
206.01624	0.6
207.02904	3.9
207.10077	0.6
207.13821	0.6
209.04477	3.3
209.08008	0.7
210.06815	0.6
211.09624	2.1
217.15950	2.5
219.02942	3.0
220.03674	17.7
221.00818	1.5
221.04041	0.6
221.06032	0.5
221.08775	0.8
222.01352	0.5
223.02367	45.6
224.02684	0.8
225.09090	1.0
235.09593	0.9
235.13261	1.2
235.16943	7.8
237.03912	1.4
238.04694	16.9
253.07048	100.0
253.17975	23.0
253.21826	0.6
254.07503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01868	0.7
56.05035	0.7
60.04496	0.6
69.91234	3.6
79.05478	2.0
84.68754	0.5
91.05483	1.0
98.20760	1.1
98.35197	0.5
98.98457	19.1
100.45304	0.6
103.05452	2.4
104.06270	0.8
105.07021	23.8
106.07390	0.8
115.05435	3.9
115.31689	0.6
116.99517	0.9
118.04141	0.9
130.49075	0.6
131.04890	1.0
132.05684	1.1
132.08060	2.1
133.06480	19.6
143.06004	0.8
160.07573	28.9
161.05974	27.4
161.07983	0.8
167.07022	1.8
178.06314	0.8
178.08621	1.4
188.07085	4.4
189.05544	0.6
191.09407	27.4
192.09805	0.7
193.08601	31.2
206.08124	10.9
208.09787	3.2
210.11275	5.2
219.08922	6.4
220.09676	1.9
222.07518	3.2
236.09258	1.5
237.09926	13.7
252.12296	100.0
253.07045	0.7
253.12599	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	252.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91470	0.6
53.50017	0.6
55.01860	1.3
56.35411	0.5
60.04531	0.9
67.05486	0.7
71.64566	0.7
79.05484	2.5
81.07047	0.8
91.05481	1.4
95.04967	0.7
95.08617	0.8
98.98463	28.2
103.05447	3.1
105.07028	28.9
115.05450	5.1
117.07017	0.6
118.04144	1.7
131.04884	0.8
132.05675	1.1
132.08061	2.2
133.06487	26.6
143.04939	1.0
143.06044	1.6
146.05981	0.8
149.05949	0.8
159.11769	0.6
160.07576	31.2
161.05981	32.2
167.07063	3.9
168.53761	0.6
176.06943	1.0
178.06271	1.0
178.08638	1.5
187.00639	0.6
188.07048	4.2
191.09415	27.4
192.10040	0.8
193.08611	39.6
194.08067	0.8
206.08116	11.4
208.09709	3.7
210.11227	6.8
219.08890	7.8
220.09682	2.4
222.07578	3.8
236.09143	1.8
237.09967	13.5
252.12315	100.0
253.12585	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	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03917	1.9
55.05504	7.4
59.05001	2.9
66.23377	1.8
67.05509	11.2
67.25450	1.6
69.03438	4.3
69.07062	3.9
70.71736	3.9
70.72137	3.6
71.05003	3.2
79.05486	11.3
81.07062	29.7
83.04980	11.4
83.08559	1.9
85.02888	1.9
85.06541	2.4
91.05473	16.5
93.07042	18.8
95.04960	19.4
95.08604	14.2
96.08867	1.6
97.06531	15.7
98.98461	100.0
99.04461	3.1
105.07024	29.1
107.08590	56.7
108.08817	1.9
109.06527	8.8
109.10165	13.1
111.08073	2.6
116.99543	5.0
117.07032	6.9
119.08575	17.0
121.06503	4.3
121.10133	13.5
123.08099	4.2
123.11703	7.9
125.09624	4.1
129.07022	5.2
130.07751	2.3
131.08546	13.5
133.10123	21.6
135.08051	6.8
135.11684	5.7
137.05975	9.3
137.09619	3.0
138.06245	1.6
141.06987	2.0
142.07793	5.2
143.08604	3.3
145.06473	3.1
145.10118	23.4
147.11667	14.7
148.07320	2.3
149.05983	2.1
149.09628	3.5
149.13286	3.6
151.11188	26.1
153.09081	4.6
155.08549	6.2
156.09297	2.6
157.10127	23.7
158.07256	2.1
159.08038	4.4
159.11678	15.6
161.09593	2.7
163.11177	5.9
165.05435	1.9
165.06908	3.1
167.07091	2.2
167.08530	3.0
169.10124	3.4
171.11731	5.7
173.09596	3.8
173.13287	6.8
174.99307	2.0
175.11163	13.3
181.05002	10.6
182.10924	3.4
185.13252	2.1
187.14748	10.1
189.07054	2.7
189.12788	2.6
190.07852	6.1
191.08539	19.9
195.08057	6.2
197.13252	8.7
203.14204	4.3
205.15887	6.5
208.08839	4.7
215.14313	24.7
215.79358	1.9
219.08061	19.9
223.07567	3.2
233.11821	9.0
233.12997	1.9
233.15314	30.9
234.12158	3.0
236.08296	4.5
238.28033	2.1
251.07037	4.6
251.10715	28.2
251.12959	3.7
251.13985	2.2
251.16377	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	251.1791
Annotation	Aikupikanyne A
Peak:m/z	Relative Intensity
50.47319	0.4
52.11226	0.4
53.03926	0.5
55.05497	1.3
55.60350	0.3
57.07055	0.4
59.77258	0.4
67.05492	1.5
68.95999	0.4
69.07055	1.7
71.65708	0.6
72.94445	0.4
79.05482	2.5
81.07050	4.3
83.08598	0.5
85.83437	0.4
91.05490	2.3
93.07040	3.8
95.04971	0.7
95.08600	4.2
98.98460	21.3
105.07026	6.3
107.08587	3.2
109.10193	0.5
115.05511	0.5
116.99486	0.6
117.07024	0.9
119.08564	2.0
121.10106	0.9
128.06206	1.6
129.07011	2.2
130.07758	0.5
131.08577	3.0
133.10114	1.4
141.06989	1.5
142.07771	2.3
143.08540	4.7
144.09315	0.7
145.10118	3.6
152.06207	0.5
153.06905	1.8
154.07764	0.9
155.08556	3.9
156.09279	1.0
157.10129	7.6
159.11702	2.7
165.06985	8.3
166.07790	2.7
167.08542	6.8
168.09302	1.8
169.10124	6.2
171.11710	3.4
174.99289	0.7
178.07765	1.5
179.08545	8.5
180.09326	10.5
181.10114	15.4
182.10887	1.5
183.11687	6.0
185.13293	0.6
191.08443	0.6
192.09325	0.8
193.10141	5.3
194.10898	8.3
195.11688	61.7
196.12379	4.5
197.13216	1.5
203.08563	0.6
206.10899	0.7
207.11681	6.1
208.12450	4.0
209.13243	41.3
210.13777	1.7
221.09714	0.6
221.13240	7.2
222.14011	3.4
223.14816	7.2
227.97319	0.4
235.14722	1.0
236.11784	0.6
236.15524	6.7
237.16183	0.6
249.16280	0.4
251.14420	5.6
251.17943	100.0
252.18356	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	251.1641
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	4.5
55.05510	5.0
57.03418	3.0
59.04969	3.3
61.02924	5.6
65.03920	0.9
67.05497	7.6
69.03422	1.7
69.07053	5.6
70.56113	2.9
71.04967	2.1
73.02904	2.5
73.39802	0.7
79.05060	1.4
79.05486	19.5
81.03407	2.3
81.07047	20.3
83.04957	4.5
83.08602	1.3
84.80006	0.8
85.06525	1.6
85.13930	0.8
91.03934	3.8
91.04908	1.1
91.05471	15.4
92.05801	1.5
93.07040	13.1
95.04973	6.5
95.08598	12.4
97.02854	1.0
97.06512	7.2
98.06853	1.1
98.98457	49.5
99.04447	1.4
103.05443	3.1
105.07019	36.6
107.04942	6.0
107.08585	53.9
109.02830	0.8
109.06478	4.1
109.10159	3.6
111.04420	2.7
111.08046	1.4
115.05461	4.5
116.06239	0.9
116.99482	1.1
117.07001	12.8
119.04951	1.3
119.08574	19.2
121.06519	6.5
121.10121	7.6
123.04411	2.1
123.08021	1.6
127.07513	0.9
128.06177	1.9
129.06976	4.2
130.07813	2.0
131.04929	3.9
131.08562	14.2
132.09290	0.7
133.06470	3.0
133.10138	9.0
135.04395	4.6
135.08017	3.9
135.11681	2.1
137.05978	6.7
137.09601	1.8
138.06294	4.4
139.07547	1.4
141.07024	3.5
142.07774	2.8
143.08531	7.2
144.09343	3.8
145.06464	11.0
145.10124	13.9
147.04401	1.0
147.08025	2.7
147.11676	3.3
149.05966	12.8
149.09576	1.6
149.13222	1.3
151.07449	1.9
153.06979	1.5
154.07692	1.8
155.08543	8.0
156.09332	3.6
157.06459	0.8
157.10136	7.5
159.08051	5.7
159.11681	28.6
159.13023	1.4
160.05121	1.1
161.05974	1.5
161.09590	1.8
161.13245	37.6
162.13562	0.9
163.03912	3.4
163.07523	7.1
163.11189	2.3
164.29634	0.8
165.05685	1.3
165.06996	8.3
166.07675	1.0
167.07034	7.4
167.08566	4.0
169.10100	5.9
171.11647	7.1
173.05988	2.7
173.09622	3.4
173.13268	3.5
174.99194	1.8
175.11113	3.9
176.06212	0.9
177.05463	3.0
177.06885	1.4
177.09085	2.3
177.12766	2.4
178.07797	2.3
179.07045	3.1
179.08548	5.8
180.09358	4.8
181.04947	14.3
182.10858	2.8
185.09659	0.8
185.13289	4.0
187.07466	0.8
187.11139	5.0
187.14792	5.1
189.05385	1.2
189.07013	7.7
189.09094	2.2
190.07761	23.8
191.07010	12.2
191.08534	92.6
192.09055	2.2
194.07230	2.8
195.08051	2.4
195.10063	1.0
197.09583	0.8
197.13235	7.8
201.06984	2.3
202.07715	1.4
202.13522	3.4
203.08591	0.8
203.14284	3.8
205.06485	2.2
205.08321	1.1
205.10222	1.6
205.12260	2.6
205.15826	1.7
207.08067	2.8
208.08801	11.0
209.11653	1.8
215.10696	7.5
215.14232	9.5
217.06549	0.9
218.07288	3.7
219.08029	68.0
220.08742	7.0
223.11171	0.8
229.07538	4.4
233.11729	12.3
233.15331	23.9
234.12050	5.3
235.07503	1.4
236.08293	17.0
251.06657	2.0
251.10670	86.8
251.16391	100.0
252.11034	1.6
252.16730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
55.05499	8.1
57.03415	6.0
57.07057	4.7
67.05502	18.0
69.03423	5.4
69.07045	6.3
71.04975	6.3
71.60448	3.7
75.04482	6.1
79.05473	14.0
81.07050	38.5
82.72458	2.1
83.04979	4.9
85.06536	45.3
91.05450	17.0
93.07040	31.8
94.87569	2.1
95.04942	10.2
95.08598	29.9
97.06516	7.1
98.98452	27.9
99.04462	3.6
105.07024	43.0
107.08595	45.4
109.06519	8.2
109.10139	10.0
111.08070	4.8
113.05970	3.8
117.07044	11.2
117.07730	1.9
119.08573	24.0
121.06489	9.4
121.10123	14.8
122.98007	2.4
123.08080	7.8
123.11696	2.0
125.06039	2.6
125.09573	4.0
129.06985	5.7
130.07729	2.3
131.08554	19.1
133.06474	5.3
133.10114	20.6
135.08063	11.3
135.11681	24.8
136.06161	22.9
137.09560	4.4
139.07587	2.7
141.05441	3.5
142.07764	7.7
143.07094	2.1
143.08484	4.8
144.09355	4.1
145.06488	2.1
145.10110	21.9
147.07935	4.6
147.11667	17.9
148.46593	2.2
149.09616	7.3
149.13248	7.7
152.05717	3.6
153.09099	3.0
155.08519	2.4
157.10118	18.0
159.08032	5.6
159.11665	35.5
161.09604	5.3
163.11189	8.9
163.14894	3.3
165.12724	10.0
169.10133	3.4
171.11662	5.8
173.09596	7.4
173.13263	9.6
175.11159	42.9
177.09096	2.6
177.12727	18.5
181.12241	2.6
185.13208	3.0
187.14821	15.9
189.12744	5.1
191.14275	5.7
193.12244	13.8
197.13274	6.6
203.14348	2.3
205.15845	7.0
207.12032	2.6
207.13771	10.0
210.99295	2.1
215.14294	21.9
233.15340	66.9
251.16411	100.0
252.14485	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	251.1642
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
53.03940	4.0
55.01847	2.6
55.05494	7.3
57.03438	11.7
57.07060	6.4
62.31642	2.0
67.05506	20.6
67.40405	2.2
69.03402	8.1
69.07058	8.6
69.34052	2.0
70.11367	10.2
71.04984	3.0
75.04457	9.1
79.05500	20.7
79.40086	2.3
81.07056	52.5
83.04967	8.7
83.08610	2.6
85.06551	28.3
86.78844	2.8
91.05470	24.2
92.19136	2.0
93.07047	42.2
95.04982	21.4
95.08610	30.8
97.06554	11.2
98.21419	3.1
98.98462	73.0
99.04439	6.4
105.06399	3.2
105.07032	49.3
107.08598	53.2
109.06492	10.7
109.10182	11.9
111.08081	4.4
113.05963	3.8
117.07047	13.0
119.03539	3.0
119.08562	27.4
121.06496	11.0
121.10148	16.9
123.04491	2.6
123.08049	6.5
123.11739	3.4
129.06960	6.1
131.08554	24.9
133.06432	3.8
133.10150	25.9
135.08029	7.4
135.11688	31.9
136.06189	91.4
137.04643	3.0
137.05965	7.6
137.09596	4.4
142.07829	5.2
143.08556	8.4
144.09306	3.9
145.06439	3.5
145.10132	26.5
147.08012	3.9
147.11674	21.4
149.05963	2.5
149.09566	7.8
149.13225	10.6
151.11118	6.2
152.05682	12.0
153.06091	6.1
153.09146	3.5
155.08609	5.0
157.10110	24.7
159.08061	5.1
159.11697	34.8
161.09599	6.4
161.13271	4.5
161.47726	2.6
163.07536	3.4
163.11171	6.7
165.12773	6.0
169.10097	2.9
171.11673	3.5
173.09605	7.9
173.13266	12.1
175.11189	40.0
177.12737	13.2
187.14853	18.7
189.12747	5.5
191.14301	4.6
192.07851	2.9
193.12225	9.7
197.13220	7.4
197.43225	2.3
200.12074	2.4
203.14354	3.9
205.15877	4.8
207.13708	6.1
215.14301	23.9
223.09673	2.8
233.11729	3.8
233.15343	61.6
234.13484	9.7
251.13626	3.7
251.16418	100.0
252.14551	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	251.164
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
53.03920	2.9
53.88073	2.4
55.05495	9.0
57.03421	7.4
66.78313	2.3
67.05502	17.5
68.02608	2.6
68.88121	2.0
69.03400	6.9
69.07043	6.1
71.04977	5.1
71.28594	4.3
75.04463	9.1
79.05487	21.9
81.07050	52.3
83.04971	6.3
85.02892	4.7
85.06522	7.6
86.09661	3.0
87.04412	2.5
91.05462	21.9
93.07034	38.4
95.04960	16.9
95.08597	24.0
97.06544	12.8
98.98457	59.7
99.04469	3.0
105.06371	4.1
105.07022	55.0
107.08589	37.5
109.06502	17.8
109.10139	14.9
111.04398	3.2
111.08067	4.5
115.05411	4.1
117.07005	14.7
119.07796	2.7
119.08581	39.1
121.06454	7.1
121.10127	19.0
123.08072	8.4
123.11619	5.2
125.06016	4.4
125.09592	4.7
129.06969	7.6
130.07799	3.5
131.08539	25.3
133.06435	4.2
133.10109	26.9
135.08038	8.0
135.11685	13.3
136.06158	8.2
137.06593	3.8
137.09583	5.5
142.07758	11.3
143.08554	7.4
144.09303	3.4
145.06467	3.4
145.10106	32.7
147.08020	6.8
147.11673	26.2
149.09657	11.9
149.13206	10.8
156.09378	4.3
157.10114	24.6
159.07996	7.0
159.11679	57.6
160.08891	2.9
161.09627	4.4
161.13206	5.0
163.11139	7.3
165.12753	3.5
167.08492	3.6
169.10039	4.2
171.11639	4.2
173.09636	10.2
173.13249	11.4
175.11153	52.5
177.09148	2.4
177.12711	14.6
177.16301	2.5
179.10603	3.4
182.10904	3.7
187.11099	2.5
187.14812	21.1
189.12752	5.2
191.10704	3.2
191.14304	7.4
193.12297	11.5
197.13251	8.1
203.14372	3.8
205.15872	20.8
215.14278	31.5
233.12909	3.9
233.15341	82.9
251.13332	11.8
251.16383	100.0
268.03329	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	251.164
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
51.03890	1.2
52.67243	1.1
55.05508	4.2
57.07067	2.8
67.05495	5.9
69.06452	1.3
69.07059	2.0
69.77185	2.9
69.77590	6.3
71.04982	1.3
79.05495	5.2
81.07055	12.7
83.04967	9.3
83.08614	2.0
85.06518	1.5
89.79634	1.2
91.05471	7.6
93.07041	11.0
95.04956	2.2
95.08598	11.0
97.06540	2.5
98.20753	1.5
98.98463	100.0
105.07028	13.9
107.08582	13.1
109.06554	1.9
109.10148	4.2
116.99485	2.2
117.06992	8.0
119.08577	29.4
121.06509	2.1
121.10124	9.5
125.09573	1.1
130.07805	2.5
131.08560	14.0
133.10130	4.3
135.08064	2.6
135.11671	6.9
139.07494	1.3
144.09329	2.5
145.10133	14.8
147.11713	5.4
149.09593	3.3
153.09119	2.3
155.08559	1.5
157.10147	7.4
159.08060	1.2
159.11687	43.6
160.12366	1.4
161.09615	1.2
161.13274	3.4
163.11139	2.0
163.14847	2.2
173.09666	2.4
173.13306	1.3
174.99216	2.5
177.09088	7.6
177.12808	3.4
177.16376	1.7
187.14833	16.9
191.10686	3.4
191.14215	2.0
193.10579	1.7
193.12170	6.7
197.13139	1.5
205.15916	8.5
215.14326	3.8
233.11810	2.0
233.15364	39.3
251.16321	11.5
251.20151	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
54.56944	1.1
55.01858	1.4
55.05494	3.9
55.55567	0.9
57.03439	1.3
57.07061	2.8
59.04984	2.7
59.83599	1.1
65.30434	1.0
67.05505	6.3
69.03417	3.1
69.07053	3.1
70.93608	2.2
70.93945	1.9
71.04989	18.8
79.05490	4.1
81.03434	1.3
81.07059	8.2
83.04967	4.7
83.08618	1.7
85.06537	1.4
91.05478	7.1
93.07044	8.3
95.04972	7.0
95.08617	9.1
97.06519	5.4
98.98461	100.0
99.04453	1.4
99.08070	1.8
105.07011	9.4
107.08585	9.5
109.06487	4.1
109.10145	6.0
111.08051	2.2
113.05978	1.6
115.04203	1.0
115.05444	1.7
116.99493	3.3
117.07001	3.2
119.08588	8.6
121.06532	2.3
121.10132	9.2
123.08053	4.7
123.11674	1.8
125.05998	10.0
131.08586	5.6
133.06430	1.3
133.10130	4.9
135.08037	4.5
135.11699	3.1
137.09618	9.1
145.06488	1.8
145.10101	8.2
147.04347	1.0
147.08040	12.5
147.11656	4.1
149.09628	4.1
151.07460	2.5
151.14833	1.5
153.05135	1.0
153.09081	2.2
155.08568	1.2
157.10103	2.7
159.08090	1.3
159.11737	2.9
161.05992	1.7
161.13284	2.1
163.07538	1.5
163.11183	17.1
164.27777	1.1
165.07083	1.0
165.09079	4.0
171.11633	1.1
173.09567	2.1
173.13240	2.4
174.99277	2.5
175.11179	4.0
177.09033	1.2
179.14276	7.2
181.12238	4.7
187.14775	3.2
189.12895	1.1
191.08514	2.4
191.14227	2.7
195.10010	1.5
196.08669	1.2
205.08557	1.7
205.15962	2.4
207.13828	3.4
215.14336	4.3
233.15356	15.1
236.08266	2.2
237.00688	1.0
239.08485	1.5
251.07083	1.9
251.10548	5.1
251.16397	28.5
251.20226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
51.02380	0.5
51.79132	0.5
55.05504	1.9
57.03419	0.6
57.07076	0.9
59.05002	4.1
67.05494	2.8
69.03431	1.2
69.07072	3.3
69.49050	4.9
71.04999	1.1
71.91538	0.6
75.35877	0.5
78.93278	0.5
79.03881	0.6
79.05489	5.2
81.03394	0.6
81.07052	7.1
83.04994	1.5
83.08643	0.6
91.05475	4.2
93.07040	5.0
95.04961	1.5
95.08598	4.2
97.06560	1.1
98.98465	100.0
99.08128	0.5
103.05458	0.9
105.07027	8.1
107.04977	5.7
107.08596	5.8
109.06493	0.8
109.07665	0.8
109.10149	2.6
115.05460	2.1
116.99522	4.0
117.07012	3.7
119.08586	6.7
121.06503	2.2
121.10152	2.2
123.04426	0.9
123.08069	0.5
124.05176	0.9
125.06020	0.9
128.06236	1.3
129.07082	1.2
130.07794	2.1
131.04906	0.6
131.08566	6.1
133.06491	1.7
133.10114	2.7
135.08073	1.8
135.11674	1.7
137.05986	0.8
139.07510	1.0
140.01068	1.0
142.07780	1.3
143.08563	4.0
143.09529	0.6
144.05672	0.6
144.09319	1.1
145.06496	2.0
145.10123	10.2
146.03680	0.7
146.10434	0.7
147.08058	1.3
147.11731	1.4
149.05917	0.6
149.09641	1.7
149.13292	1.2
151.11169	1.6
152.04720	0.8
153.09164	0.7
155.08551	2.0
157.10123	5.3
158.07256	5.3
159.08055	1.0
159.10463	0.8
159.11710	12.5
160.05212	0.7
161.06001	2.2
161.13261	3.6
163.11188	1.6
163.14850	0.8
165.09158	0.5
167.07048	21.3
173.09628	10.1
173.11006	0.9
173.13274	1.0
174.06676	0.6
174.99249	3.5
175.07573	3.8
175.11241	1.0
177.09102	1.8
177.12819	0.6
177.16386	0.6
178.06281	3.1
179.08511	0.6
181.04967	1.4
181.06602	0.5
181.08603	1.5
183.09209	0.7
186.06741	1.0
187.14856	5.2
189.09142	0.6
190.09848	0.6
190.40439	0.5
191.10706	1.3
191.14311	1.1
192.07808	4.6
193.08603	2.5
193.70363	0.7
195.06540	1.0
197.13364	0.9
201.09099	14.2
205.08524	0.8
205.15985	2.8
207.10165	2.2
215.14340	2.1
219.10202	2.7
224.16496	1.9
233.11870	5.0
233.15372	8.1
236.10469	0.7
251.10524	1.1
251.12822	11.1
251.16209	5.3
251.20215	0.8
252.12614	0.7
258.23688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Carabrol
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	0.7
55.05498	1.5
55.70770	0.5
57.07067	0.8
59.05005	3.9
67.05499	3.1
69.03407	0.9
69.07059	2.5
70.06587	0.9
70.97060	1.2
71.04981	0.8
74.42091	0.4
78.04700	0.6
79.05493	5.1
81.07053	6.9
83.04969	1.5
83.08612	0.5
83.91758	0.4
85.06538	0.7
91.05479	4.4
93.07040	4.7
95.04950	2.3
95.08604	5.2
95.40727	0.4
97.06512	0.8
98.98460	100.0
99.04465	0.8
103.05503	0.6
105.07027	9.2
107.04954	6.8
107.08585	7.6
109.06512	1.4
109.10140	2.3
111.08122	0.5
115.05443	2.2
116.99496	4.0
117.07017	4.6
119.04901	0.5
119.08573	6.5
121.06495	1.7
121.10148	3.1
123.04422	1.0
123.08059	1.3
123.11655	0.4
124.05215	1.1
125.06000	1.2
128.06215	1.1
129.07004	1.6
130.07771	2.3
131.04948	0.7
131.08563	6.2
132.05681	0.6
133.06514	1.4
133.10138	3.1
135.08072	1.3
135.11699	1.8
137.09622	1.0
139.07571	0.7
140.01082	1.4
141.06947	0.7
142.07787	1.6
143.04895	0.4
143.08556	3.8
144.05742	0.6
144.09300	0.8
145.06461	3.0
145.07471	0.5
145.10117	8.9
146.03621	0.5
147.08069	1.3
147.11696	1.2
149.05978	0.5
149.09625	1.8
149.13263	0.7
151.03879	0.7
151.11176	2.0
152.04700	0.6
153.06999	0.5
154.25658	0.4
155.08588	1.3
155.62471	0.4
157.06508	0.6
157.10132	5.0
158.07251	5.5
158.10870	0.5
159.08034	1.4
159.11691	14.4
160.05180	1.0
161.06036	1.6
161.13220	3.1
163.03929	0.7
163.07573	0.6
163.11182	1.8
163.14836	1.0
165.09184	0.6
167.07036	20.6
171.11809	0.5
173.09624	8.9
173.13245	1.2
174.99205	3.0
175.07516	3.6
175.11176	1.0
177.05536	0.6
177.09090	2.1
177.12788	0.9
177.16360	0.8
178.06247	2.9
181.04958	1.2
181.08609	1.9
183.09102	0.6
186.06703	1.1
187.14801	5.6
189.16431	0.5
191.08559	0.8
191.10669	1.3
191.14275	0.8
192.07793	3.4
193.08696	2.4
195.06442	0.5
197.13210	0.7
201.09105	12.2
201.10957	0.8
205.15959	2.5
207.10155	1.5
215.14348	2.3
219.08176	0.8
219.10051	2.7
224.16470	2.4
233.11720	5.2
233.15356	8.6
236.10555	0.8
251.07199	0.6
251.10567	1.1
251.12840	11.9
251.16565	4.8
252.12535	0.5
256.11188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
55.05494	2.0
67.05506	2.9
67.75825	1.6
71.64548	2.2
71.64941	1.6
79.05500	6.6
81.07054	10.9
83.04978	2.2
84.07038	1.5
91.05473	8.4
93.07037	8.3
94.76797	1.4
95.04958	3.6
95.08592	5.5
97.06519	3.2
98.98465	62.8
103.05448	3.0
105.07018	10.5
107.04940	6.2
107.08591	4.7
109.10130	2.1
115.05436	10.4
116.06232	1.9
116.99489	1.9
117.07014	20.1
118.19380	1.4
119.08584	5.3
121.06502	1.8
121.10141	3.3
123.11707	1.4
128.06204	13.8
129.06999	14.8
129.35626	1.3
130.07785	13.8
131.04922	4.5
131.08563	6.9
132.05696	2.3
133.06456	2.7
133.10165	2.4
135.11707	6.9
141.06990	20.3
142.07808	3.1
143.04872	2.2
143.08551	28.0
144.05690	16.1
145.06474	44.3
145.10115	27.0
146.03638	1.5
146.07181	1.9
147.08073	2.6
153.05342	1.4
153.06982	3.3
155.06023	2.3
155.08549	11.3
157.06451	8.2
157.10156	3.2
158.07271	55.6
159.07988	5.8
159.11711	2.7
161.05986	3.5
161.09627	4.5
167.07039	1.8
169.06413	7.8
171.04405	1.7
171.08052	6.3
172.05215	4.3
172.08823	1.6
173.05988	5.5
173.09616	70.6
174.06796	2.2
174.10042	1.7
174.99295	2.0
175.07552	5.9
175.11136	2.5
177.05536	2.0
183.09186	3.9
185.05933	1.7
186.06691	8.4
187.14760	3.1
189.09059	12.6
191.07036	7.1
191.10716	2.3
192.07811	3.3
193.08527	2.8
199.14601	1.6
201.09105	94.8
203.07030	5.3
205.08661	2.7
206.09404	8.0
207.10144	5.8
215.14322	3.7
218.09377	6.7
219.10141	2.1
221.11758	11.7
233.11716	100.0
233.15155	10.9
234.12041	2.7
241.72726	1.7
251.10555	2.3
251.12772	10.6
251.16435	10.7
273.96231	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	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.38266	0.7
55.05507	1.6
59.04999	11.7
65.03928	0.8
67.05177	0.8
67.05492	3.7
69.03425	1.2
69.07064	2.6
71.04996	0.9
71.63772	0.9
78.04715	1.4
79.05495	8.0
81.07053	2.9
83.04974	1.4
91.05489	4.9
93.07021	3.8
95.04974	2.6
95.08581	2.3
98.98463	100.0
103.05505	1.0
105.07021	6.6
107.04955	16.8
107.08605	2.3
109.06522	1.4
109.10242	0.8
113.23603	0.8
115.05490	4.5
116.99508	3.0
117.07001	4.9
119.08570	2.9
121.06516	1.9
121.10128	1.4
123.04417	2.4
124.05216	3.2
125.06052	1.6
128.06213	2.2
129.06987	3.1
130.07777	2.6
131.04967	1.1
131.08562	3.3
132.05696	1.2
133.06485	3.2
133.10115	2.0
135.04366	1.1
135.08064	1.5
135.11681	0.9
140.01082	1.3
141.07031	1.0
143.04942	1.7
143.08548	7.8
144.05730	1.6
145.06462	4.3
145.10120	13.8
146.03607	2.1
147.08055	3.3
149.05949	1.2
151.03877	1.9
152.04700	1.9
155.08546	3.4
157.06543	1.0
157.10143	1.1
158.07265	13.1
159.07996	1.4
159.11688	1.6
160.05205	3.0
161.06024	4.5
161.13268	2.0
162.06668	1.0
163.03889	1.3
163.11147	1.9
167.07036	58.3
171.08070	1.0
173.09613	23.3
174.06793	0.9
174.99226	2.7
175.07565	9.8
177.05455	2.2
177.09061	1.8
178.06236	8.6
181.04974	4.0
181.08591	2.9
181.09998	0.8
183.09271	1.1
183.69940	0.8
186.06717	3.0
189.09055	1.2
191.10652	2.7
192.07808	12.8
192.09456	1.3
193.08615	6.6
195.06502	1.9
199.02089	1.0
201.09099	32.6
202.09390	0.9
207.06580	1.0
207.10144	6.0
215.14326	1.0
218.09364	2.1
219.10107	4.8
223.07681	0.9
233.09616	1.1
233.11734	13.0
233.15433	2.2
236.10442	2.1
251.10707	1.7
251.12767	32.3
251.16362	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01867	0.7
55.05509	1.1
57.03432	0.5
57.07073	0.6
59.04998	6.5
61.34360	0.4
62.36255	0.3
66.69521	0.4
67.05494	3.8
69.03402	0.5
69.07063	2.5
71.04997	1.2
71.64639	0.6
78.04703	0.7
79.05495	5.7
81.03435	0.7
81.07058	5.4
81.38156	0.4
83.04964	1.0
83.08615	0.6
85.06551	0.4
91.05470	4.2
93.07044	3.8
95.04965	1.8
95.08604	4.7
97.06539	1.6
98.98463	100.0
99.04431	1.1
99.08121	0.6
103.05463	1.1
105.07031	6.3
107.04954	11.2
107.08580	3.2
109.06532	1.1
109.10157	2.1
111.04419	0.6
111.08073	0.5
115.05436	3.3
116.06203	0.4
116.99486	3.5
117.07018	3.9
119.04885	0.4
119.08582	3.4
121.06479	1.5
121.10135	2.3
122.03637	0.6
123.04416	1.6
123.08039	0.9
123.11701	0.6
124.05212	2.1
125.05974	1.6
127.07503	0.4
128.06241	1.9
129.07010	2.0
130.07787	2.4
131.04895	0.7
131.08595	2.6
132.05699	1.1
133.06482	2.1
133.10098	2.3
134.03647	0.4
135.08040	1.3
135.11682	1.3
137.06067	0.4
137.09608	0.8
139.07562	0.6
140.01076	1.5
141.07007	0.6
142.07770	0.6
142.70535	0.4
143.04948	0.9
143.06039	0.5
143.08553	5.6
144.05719	0.9
144.09285	0.5
145.06494	3.9
145.10120	10.5
145.11269	0.6
146.03613	1.5
146.10411	0.6
147.04381	0.7
147.08063	3.4
147.11725	1.2
149.05986	0.7
149.09625	1.0
149.13235	0.5
151.03944	0.9
151.11113	0.8
152.04675	2.1
153.07024	0.7
155.08556	2.7
157.06453	0.9
157.10078	1.3
158.07275	9.3
159.07994	1.5
159.11676	2.3
160.05200	1.9
161.05975	3.3
161.09583	0.6
161.13293	1.1
163.03857	0.7
163.07552	0.7
163.11174	1.6
165.06969	0.6
165.09163	0.6
167.07037	35.5
168.07401	0.7
171.07936	0.6
173.09625	16.1
173.13219	0.4
174.10068	0.5
174.99211	3.2
175.07518	5.4
175.11046	0.5
177.05359	0.5
177.09088	1.9
177.12830	0.6
178.06267	5.0
181.05026	1.9
181.08623	2.4
183.09229	0.9
186.06715	1.6
187.14796	1.3
189.09085	1.4
190.09744	0.5
191.07036	0.8
191.10649	1.6
191.14316	0.5
192.07822	8.5
193.08572	4.3
195.06554	1.1
197.13347	0.7
201.09102	21.9
203.06990	0.6
205.08577	0.5
206.09332	0.8
207.06320	0.5
207.10135	4.1
208.07108	0.5
209.08043	0.7
215.14296	1.0
215.17874	0.5
218.09349	1.3
219.10132	3.7
223.13191	0.5
233.11696	8.0
233.15253	2.6
236.10358	1.2
251.10815	1.1
251.12744	21.9
251.16345	3.5
251.20082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1066
Annotation	Dehydroeffusol
Peak:m/z	Relative Intensity
50.52020	0.4
51.02352	0.4
51.59494	0.4
52.68856	0.4
52.96841	0.4
53.03921	0.9
55.01847	0.8
55.05500	2.7
57.03410	0.8
59.04979	0.9
61.02891	0.7
67.05497	3.1
69.03432	0.9
69.07029	1.5
70.00280	1.5
70.00685	0.7
71.04951	1.2
79.05499	5.1
81.03411	0.5
81.07061	4.4
83.04952	1.8
85.06553	0.7
91.05473	5.2
93.07032	3.7
95.04982	2.6
95.08606	3.8
95.77708	0.4
97.06531	2.2
98.98458	16.3
103.05470	2.5
105.07016	6.1
107.04952	3.3
107.08586	9.6
109.02924	0.9
109.06486	0.9
109.10136	1.0
111.04420	0.6
115.05452	2.7
117.07007	7.0
119.08553	4.3
121.06510	3.0
121.10129	1.7
123.04392	1.0
123.08011	0.8
128.06210	1.2
129.06975	1.2
131.04918	2.1
131.08563	3.3
133.06458	1.6
133.10081	1.2
135.04414	2.6
135.08025	1.5
135.11618	1.2
137.05940	1.9
137.09511	0.7
138.06267	1.2
141.06953	1.8
142.07790	0.8
143.04871	0.5
143.08534	1.7
144.09288	1.0
145.06479	7.4
145.10112	2.8
147.08066	0.5
147.11638	1.1
149.05978	10.9
149.09637	0.6
151.07498	1.2
152.06198	0.5
153.06958	0.5
154.07721	1.6
155.08496	1.6
156.09282	0.6
157.10062	1.3
158.07201	0.5
159.08025	1.3
159.10677	0.4
159.11711	5.7
160.05199	0.5
161.05884	1.5
161.09570	0.7
161.13246	5.5
163.03920	2.8
163.07527	5.0
163.11160	0.7
165.05542	1.0
165.06975	7.1
166.07719	1.4
167.07030	5.9
167.08591	1.5
169.06425	0.5
169.10042	2.4
171.08098	0.7
171.11664	1.8
172.08820	0.5
173.05930	2.3
173.09578	1.4
173.13295	0.9
174.99141	0.6
175.07530	0.6
175.11140	1.1
177.05438	1.6
177.06940	2.5
177.09052	0.6
178.07727	2.1
179.06993	2.5
179.08539	6.0
180.09328	3.9
181.04971	13.2
181.06451	1.1
182.07242	1.0
182.10893	0.9
185.06023	0.5
185.09575	0.6
185.13245	0.9
186.06758	0.5
187.11166	2.5
187.14807	0.8
189.05373	0.9
189.06979	6.6
189.09108	1.7
190.07764	18.6
190.09488	0.9
191.07007	10.2
191.08537	74.3
192.09018	2.0
193.06450	1.3
193.10135	0.6
194.07246	2.8
195.08063	2.5
197.09657	1.2
197.13240	1.6
201.06886	2.6
202.07718	1.4
202.13547	0.5
203.08543	1.4
203.10406	0.5
203.14316	0.5
205.06482	1.8
205.10286	0.9
205.12262	1.6
205.15863	0.7
207.08070	2.4
208.08823	11.2
215.10713	6.0
215.14192	2.3
217.06413	1.1
218.07254	3.8
219.08041	78.3
220.08574	3.4
221.09586	1.3
223.07420	0.7
223.11078	0.8
224.10674	0.6
229.07578	6.2
233.09718	0.6
233.11710	13.4
233.15247	4.2
234.12074	1.5
235.07550	1.2
236.08331	15.0
251.10664	100.0
251.16312	18.1
252.10883	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	250.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71717	0.3
55.05528	0.4
67.05520	0.4
68.40186	0.3
69.07055	3.0
71.08401	0.9
73.06559	0.6
73.18842	0.3
79.05486	1.0
80.06517	0.3
81.07040	0.5
82.94492	0.3
91.05447	0.4
94.04048	0.7
95.04963	0.3
97.06543	2.4
98.98457	6.6
105.07047	0.5
119.03535	1.8
120.13179	0.3
131.08473	0.3
136.06172	100.0
137.04645	1.6
137.05536	0.4
137.06610	0.7
149.05986	0.3
152.05653	3.5
153.04097	0.4
159.11682	0.4
174.07767	1.4
174.99104	0.3
189.09126	0.7
208.19569	0.3
233.11636	0.9
233.15364	0.5
250.12967	88.7
251.13344	1.5
251.16029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
53.32756	1.9
55.01868	3.9
55.05513	16.5
56.05031	2.9
56.96563	64.5
56.96849	3.0
57.03436	10.2
59.04994	6.0
59.07067	1.5
60.04527	2.0
60.95845	3.6
61.02925	9.3
67.05491	2.7
69.03428	18.4
69.07059	5.3
70.06593	8.3
70.70278	3.7
70.70614	2.8
70.98111	3.2
71.01355	1.9
71.04996	9.5
71.95255	2.0
72.08145	3.3
73.02918	12.6
73.06557	18.8
74.06059	2.2
74.97613	2.2
79.05495	3.6
81.03413	11.4
81.07055	2.1
83.04960	2.1
84.04516	3.7
84.08148	10.0
84.96027	9.0
85.02897	28.8
86.03209	1.9
86.06084	2.6
86.09698	4.4
87.04480	8.7
88.07600	1.9
88.99149	3.3
91.03910	1.8
91.05453	2.4
95.04976	1.9
97.02891	27.2
97.06526	9.0
97.96799	5.0
98.03188	2.2
98.21468	1.9
98.97585	46.4
98.98461	100.0
99.04455	6.7
99.97923	3.1
100.99179	2.0
101.06024	2.5
102.96984	2.2
104.01260	1.9
106.02850	2.0
107.04980	2.0
109.02891	5.8
110.03105	1.8
110.07179	2.3
110.97581	5.2
112.50040	1.5
112.99143	3.4
114.06799	1.9
115.08517	1.4
115.97820	2.3
116.98635	34.2
116.99458	3.6
117.98960	2.4
119.01841	6.4
121.05164	1.5
123.00311	1.4
124.02900	1.4
126.02574	6.3
127.00675	1.7
127.03907	6.6
128.02324	3.5
128.98604	8.8
129.02158	1.8
129.10249	2.3
131.00148	9.1
133.01622	2.0
134.01123	1.8
134.99644	20.3
135.03040	3.7
136.06177	49.1
137.05972	2.0
140.02330	1.6
140.98564	1.8
143.00165	5.3
145.01765	3.4
145.04967	3.4
146.04138	2.3
146.99652	10.2
147.03233	3.4
147.04431	3.3
149.01227	7.8
153.00771	2.4
153.02997	2.3
154.03877	2.9
155.00139	2.2
155.04639	20.9
155.54805	8.5
156.07631	2.1
156.10193	1.6
157.01714	2.7
158.01201	2.2
158.99651	12.2
159.03073	1.9
160.03838	4.5
160.06573	1.7
161.01227	7.7
161.02800	1.9
162.01599	2.0
162.05461	1.5
162.99150	5.4
163.02776	5.5
163.04240	2.5
164.05193	15.6
164.55365	4.1
165.00708	3.8
166.55498	3.9
167.05682	3.7
169.04395	13.3
170.03413	1.9
170.05167	4.1
170.08156	1.8
170.99620	3.4
173.01201	6.3
173.02844	4.8
174.99190	3.9
175.02760	3.0
175.04405	5.7
176.05167	2.6
177.00720	17.5
177.07770	1.8
178.01138	2.6
178.04929	6.3
178.06767	3.1
180.55139	2.4
181.00073	2.2
182.99718	2.1
184.05038	9.4
185.01285	1.6
187.02782	2.1
188.09151	1.7
189.00690	6.0
189.04266	6.9
190.04994	2.4
190.06952	2.3
191.02280	3.6
191.03918	4.2
191.07205	1.7
193.03827	2.2
195.01750	2.9
201.00793	7.4
201.04219	2.3
203.04008	2.3
205.03735	2.6
205.05460	25.4
205.55716	4.1
206.11777	6.5
207.01825	3.5
208.02136	4.6
214.06007	12.6
214.56061	1.6
217.03845	3.8
219.01790	6.6
219.05305	2.3
223.01241	5.5
225.56737	2.8
227.00636	2.7
227.04343	2.0
227.06555	2.2
232.08194	2.0
232.11998	4.6
234.07497	3.8
234.57640	2.6
237.02718	7.8
241.06525	2.6
244.99678	4.5
245.03540	2.4
250.06480	2.6
250.08949	56.1
250.12869	30.9
250.59109	9.2
251.04488	3.6
252.89870	1.7
265.06030	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	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03930	1.3
54.21703	0.6
55.01860	1.1
55.05512	7.4
57.07054	1.6
59.05000	9.5
61.35865	0.7
65.03928	2.1
67.05500	12.5
69.03413	2.1
69.07067	4.9
69.34748	7.5
71.04993	7.7
79.05484	9.8
79.91640	0.9
81.03409	1.0
81.07055	20.8
83.04967	2.0
83.08614	1.9
85.06538	3.8
91.05473	14.7
93.07041	21.0
93.07627	1.2
93.80956	0.7
95.04966	42.3
95.08060	1.1
95.08612	16.4
97.06525	4.0
97.10159	5.5
98.21533	1.6
103.05429	1.2
103.72362	0.7
105.07029	26.2
107.04942	3.5
107.07883	0.9
107.08584	15.9
109.06510	15.6
109.10143	11.9
111.08069	1.9
115.05447	1.6
117.07011	8.4
119.04964	2.0
119.08579	17.5
121.06502	7.5
121.09320	1.5
121.10146	23.4
123.08074	4.9
123.11685	3.4
125.05939	1.5
128.06212	4.9
129.07002	8.2
130.07784	3.0
131.08571	11.4
131.09531	1.2
133.06487	3.4
133.10124	10.0
135.08052	7.7
135.11722	5.2
137.05891	0.9
137.09602	1.8
141.07005	1.1
142.07782	6.8
143.08559	18.8
144.09290	2.5
145.06476	1.9
145.10120	14.4
147.08070	4.3
147.11681	7.2
149.09595	2.9
153.09125	2.0
153.12743	10.1
155.08542	2.0
156.09348	3.5
157.10123	23.0
158.10594	1.1
159.08063	1.8
159.11682	19.8
161.05934	1.6
161.09630	9.4
161.13211	4.6
167.07004	0.9
169.10095	1.6
170.10899	1.2
171.11699	8.3
173.09628	9.9
173.13266	4.4
175.07414	1.0
175.11211	5.3
175.14784	1.9
176.34953	0.7
184.12508	2.2
185.13284	6.2
187.07544	1.1
187.11079	0.8
187.14821	2.3
189.06982	0.8
189.09052	2.7
189.12732	3.1
189.16377	6.0
191.14267	4.9
199.14819	23.5
201.12708	2.1
203.14328	6.1
205.18675	0.8
213.12747	4.6
217.08501	1.1
217.15881	33.5
219.13710	1.3
221.11734	1.1
231.10213	1.5
231.13834	10.4
231.17474	2.2
245.65828	0.8
249.09082	2.8
249.14912	6.8
249.18494	100.0
250.18903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
55.05494	0.5
57.07075	31.0
67.05506	0.9
69.02921	0.4
69.07036	0.5
69.99164	2.4
79.05481	1.6
81.07047	1.3
91.05477	1.3
93.07056	2.2
95.04948	0.5
95.08634	0.6
95.95515	0.4
105.07034	1.5
107.08582	0.9
112.67056	0.5
119.08568	1.4
121.10125	1.4
131.08574	0.8
133.10129	1.1
137.05977	12.7
143.08560	0.9
145.10110	0.6
157.10115	0.8
161.09633	0.5
175.11183	1.4
175.14774	0.4
177.09074	0.7
181.52002	0.5
185.13344	0.6
193.12244	59.4
194.12561	0.8
195.28798	0.4
203.14333	0.6
219.58502	0.5
231.13861	1.2
249.18498	100.0
250.18774	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	249.1486
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
51.28707	1.2
53.03934	2.3
55.01867	3.5
55.05497	4.7
56.96573	1.4
57.03417	1.9
61.02926	8.3
65.41743	1.3
67.05494	9.0
69.03426	7.6
69.07050	2.0
70.32430	5.7
71.04984	1.5
73.02909	1.5
79.05480	10.3
81.03401	2.5
81.07051	7.5
83.04980	3.1
84.19286	1.4
85.02884	2.9
85.06526	5.7
91.03957	3.3
91.04501	1.5
91.05473	16.9
93.07047	19.4
95.04971	10.3
95.08611	7.8
97.02866	2.5
97.06544	2.4
98.97581	1.7
99.04446	2.5
103.05467	2.4
105.07026	36.8
107.08593	8.7
109.02863	1.7
109.06500	5.6
109.10139	1.8
111.04504	3.1
115.05441	3.0
117.07018	17.5
119.08587	21.2
121.06491	5.3
121.10114	3.7
123.08005	2.7
125.05966	3.4
128.06229	7.0
129.07013	11.9
130.07785	3.4
131.08557	27.4
132.08060	3.4
133.06474	5.8
133.10129	19.6
135.04408	1.7
135.08047	3.8
136.06174	13.4
139.07494	2.1
141.06970	2.8
142.07785	12.4
143.08546	22.0
144.09314	10.4
145.06487	5.5
145.10133	17.7
146.06030	3.3
147.08022	5.7
147.11670	5.5
149.09605	2.3
151.07465	1.9
151.91257	1.4
155.08548	6.6
156.09315	5.6
157.10129	34.8
159.08031	5.1
159.11688	61.9
160.12532	1.6
161.09674	8.6
161.13242	3.4
163.11194	2.8
165.06976	7.0
168.09332	3.3
169.10126	7.4
170.10841	2.6
171.08055	8.2
171.11688	8.2
173.09576	8.6
173.13271	5.2
175.07477	2.2
175.11197	11.2
175.14854	2.4
180.09325	5.6
183.08109	2.2
183.11703	5.5
185.09598	4.3
185.13266	16.1
187.11143	4.8
188.07039	4.4
189.09152	2.0
189.12723	4.9
191.10635	3.0
193.12178	1.9
195.11696	6.9
198.10342	4.6
200.12003	4.7
201.12741	9.5
203.10623	4.9
203.14284	7.0
205.12303	2.5
213.12752	19.9
219.10217	3.0
219.13786	4.1
231.10266	1.6
231.13788	38.8
233.09818	1.4
249.07579	2.8
249.14854	100.0
250.12978	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	249.1485
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
50.57837	2.7
51.68925	2.5
53.03964	3.6
53.85655	3.0
55.05501	10.3
64.76181	2.7
67.05511	14.6
69.03426	9.8
69.07056	9.2
70.16217	10.3
70.16631	7.1
71.04990	8.5
79.05476	16.6
81.07046	28.4
83.04984	4.1
83.61653	2.9
85.06541	10.5
91.05484	28.9
93.07039	23.8
95.04955	10.0
95.08593	20.4
97.06498	7.1
103.05450	5.1
105.07021	69.8
107.05009	4.5
107.08585	24.3
109.02907	4.3
109.06474	4.3
109.10162	6.5
115.05439	6.9
117.07011	27.8
119.08578	46.3
121.06501	13.7
121.10136	9.4
123.04419	5.6
128.06203	8.3
129.06987	29.5
130.07770	8.7
131.08565	29.3
133.06491	10.0
133.10138	27.1
135.08067	6.3
135.11705	3.6
137.06033	4.5
137.09555	4.0
139.07576	3.1
141.07019	4.2
142.07756	15.1
143.08553	35.9
145.06450	8.4
145.10118	72.8
147.08046	20.0
147.11665	16.1
153.05515	4.8
155.08543	9.6
156.09363	7.3
157.10114	42.1
159.07991	5.7
159.11690	30.5
161.05960	8.0
161.09598	35.5
161.13252	13.1
163.11159	6.0
165.09004	4.6
170.10948	5.0
171.08089	4.8
171.11684	10.0
173.09628	22.1
175.07552	30.0
175.11208	19.2
175.14801	11.1
178.07767	9.3
185.09583	3.6
185.13260	100.0
187.11145	4.5
189.09145	18.8
189.12767	31.4
191.09030	4.8
191.10681	30.7
193.08553	5.8
194.11755	9.1
195.11638	14.7
202.07706	4.1
203.10863	4.4
203.14348	44.2
205.06572	3.8
206.07321	6.3
207.13843	3.2
213.12735	25.2
218.07321	3.9
219.08037	3.9
221.09657	14.4
221.15424	3.6
231.10133	9.4
231.13815	84.4
234.06711	15.5
249.07278	3.3
249.09193	42.3
249.11238	5.6
249.14874	50.9
249.18550	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.63676	1.8
53.03933	3.1
55.01855	4.4
55.05490	7.0
56.27532	1.7
59.04979	2.1
63.04649	1.6
65.03949	2.9
67.05503	18.2
68.91164	1.8
69.03415	5.5
69.07051	5.8
71.04976	9.5
71.65958	2.9
72.76004	1.9
73.02898	5.1
79.05485	17.4
81.03448	1.7
81.07053	63.8
81.61282	1.8
83.04965	6.1
83.08600	2.2
85.02888	2.3
85.06528	2.9
91.05479	40.8
93.07050	29.5
95.04951	13.2
95.08606	28.3
97.06493	5.3
99.04446	2.5
103.05460	6.0
105.07021	90.8
106.07327	2.3
107.04921	10.2
107.08579	24.6
109.06506	12.2
109.10142	8.7
111.08096	3.4
115.05436	7.0
116.06238	4.1
117.06995	23.5
118.07823	3.6
119.04936	5.1
119.08571	60.9
121.06491	9.6
121.10148	14.9
123.08061	5.8
123.11744	2.2
128.06194	21.8
129.06998	49.2
130.07790	4.7
131.04877	5.3
131.08556	52.0
132.05693	2.6
133.06499	13.4
133.10126	33.5
135.08026	4.1
135.11693	5.2
137.05943	5.8
137.09604	3.1
141.06987	7.5
142.07774	15.1
143.08554	39.0
144.05675	9.5
144.09291	7.9
145.06490	10.7
145.09032	3.5
145.10117	52.5
146.07228	8.0
147.04478	2.3
147.08067	13.3
147.11674	14.8
149.06024	2.5
149.09645	3.2
149.13269	3.0
151.07507	6.9
155.08549	4.2
156.09351	9.2
157.06505	15.5
157.10118	44.0
158.10806	1.9
159.08052	30.0
159.11688	71.4
159.13011	3.6
160.08856	1.9
160.12465	4.3
161.05995	22.7
161.09602	25.6
161.13258	59.7
163.07498	3.6
165.05466	4.1
165.06979	4.3
165.09146	2.5
169.07610	3.5
170.10876	5.9
171.08009	8.3
171.11702	8.8
173.05988	3.6
173.09595	7.9
173.13216	4.2
174.06750	6.5
175.07549	16.0
175.11183	6.9
175.14810	7.3
178.07819	2.5
185.09665	2.6
185.13260	57.8
187.07536	32.9
187.14799	12.0
188.08238	2.6
189.05475	3.6
189.09109	40.7
189.12706	5.9
189.16383	6.8
191.08549	2.2
191.10634	4.6
192.07826	3.2
195.11671	4.4
198.10402	3.1
201.12711	10.0
203.14354	27.9
204.07816	21.5
205.08606	3.7
206.09315	2.0
207.10036	2.4
213.12769	19.5
217.08575	20.9
219.10152	8.7
219.13828	6.5
221.09782	3.8
221.11691	19.4
221.15361	4.9
231.10149	8.2
231.13811	46.6
232.14191	1.9
249.09067	7.2
249.11203	13.0
249.14857	100.0
249.18555	6.1
249.25175	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	249.1484
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03934	7.7
55.01857	8.1
55.05495	12.8
65.03933	4.8
67.05489	20.7
69.07059	9.3
70.85020	13.6
71.04980	22.0
73.53815	6.4
77.66772	6.7
79.05468	25.0
81.07053	39.4
83.04963	11.3
85.02865	6.8
85.06534	20.8
91.05477	63.6
93.07038	52.0
95.04960	39.7
95.08585	25.1
97.06514	13.9
99.04439	19.3
103.05468	12.3
105.07026	99.5
107.04943	10.8
107.08593	28.0
109.06491	14.2
115.05451	11.4
115.09466	5.7
117.07037	63.6
119.04929	14.4
119.08567	75.1
121.06458	21.4
121.10105	16.6
123.04420	12.3
123.08022	7.7
128.06212	15.4
129.06992	42.5
130.07748	12.8
131.04898	9.4
131.07841	5.6
131.08572	57.3
133.06458	17.9
133.10089	29.6
135.07999	16.5
137.05968	8.9
142.07764	11.0
143.08560	65.8
144.09389	5.4
145.06465	9.1
145.10120	92.9
147.08012	42.8
147.11665	23.4
149.06009	8.6
149.09528	7.8
153.78912	6.3
155.08524	29.6
157.10124	27.0
159.08051	8.0
159.11707	45.9
161.09637	25.8
161.13206	10.4
163.07516	14.5
163.11166	11.6
164.50513	6.1
165.06981	8.1
165.09039	8.4
169.10086	7.0
171.08131	11.0
171.11739	13.0
173.09607	72.6
173.13258	10.3
175.07561	11.5
175.14796	7.7
178.07698	8.3
183.11655	6.5
184.25691	6.2
185.13240	60.1
187.11182	17.8
189.09084	8.9
189.12775	27.6
191.10684	20.4
193.08531	14.1
195.11737	13.8
201.12761	8.8
203.10707	6.3
203.14316	41.2
205.12215	8.2
207.14113	5.3
213.12737	29.3
214.38071	5.8
219.13937	9.1
231.11714	6.9
231.13837	100.0
231.16017	4.9
249.09192	7.2
249.14888	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03938	3.4
55.05504	5.3
56.65207	3.0
57.39734	3.0
67.05493	9.3
68.11205	2.6
69.03397	3.3
69.07059	3.2
70.22639	14.5
70.97099	2.8
71.04986	7.0
77.30575	2.7
79.05479	19.3
81.07047	21.6
90.03812	2.9
91.05473	30.0
93.07050	19.6
95.04964	3.8
95.08588	11.6
97.06546	2.8
99.85980	3.5
102.56146	2.6
105.07033	53.8
107.08591	27.3
109.02961	2.9
109.10174	4.7
110.55502	2.7
115.05441	6.8
117.07009	29.4
119.08577	30.4
121.06484	5.1
121.10165	6.3
128.06203	13.3
129.07005	25.0
131.08562	43.2
133.06488	5.1
133.09264	3.2
133.10107	17.4
141.06998	3.3
142.07741	12.1
143.08560	47.6
144.09308	6.8
145.10121	36.6
147.08078	6.9
147.11678	10.4
147.57425	2.9
155.08543	6.2
156.09323	6.7
157.10117	34.5
158.11049	3.3
159.08047	3.6
159.10487	3.6
159.11694	54.9
161.05905	3.1
161.09595	8.5
161.13191	8.6
168.09413	5.8
170.10902	6.6
171.08064	4.3
171.11699	7.6
173.09589	3.8
173.13229	17.7
175.07547	9.6
175.14816	5.9
175.58069	3.3
178.07750	10.4
179.10641	2.7
183.11644	5.0
185.13245	100.0
187.14854	5.2
189.07043	3.4
189.09058	6.4
189.12776	3.8
190.07782	4.4
191.08568	6.2
191.10510	4.4
195.11694	5.3
197.80170	3.2
201.12808	8.3
203.08621	2.8
203.10558	6.0
203.14325	28.9
206.07256	4.2
213.12656	13.5
219.08081	3.5
219.13802	12.1
221.09586	12.9
221.11552	3.2
231.13799	72.8
249.09120	30.5
249.14867	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	249.1486
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03959	1.1
55.05516	4.7
57.03427	1.3
57.07090	1.0
59.04990	1.0
65.03925	0.9
67.05492	5.7
69.03419	1.2
69.07058	3.7
70.77495	3.0
71.04987	1.8
73.07745	0.8
79.05494	10.5
80.42968	0.8
81.07054	18.3
83.04972	1.6
85.06523	2.3
90.38429	0.8
91.05479	14.5
93.07042	15.5
95.04974	4.8
95.08605	9.6
97.06528	3.8
103.05482	1.5
105.07027	24.4
107.04955	2.3
107.08580	10.6
108.52412	0.8
109.06538	3.9
109.10156	3.5
111.08084	1.3
115.05504	1.7
116.06202	0.8
117.07021	7.1
119.04871	1.3
119.08580	16.7
121.06506	2.5
121.10134	7.9
123.04408	1.8
123.08048	2.0
128.06236	4.7
129.06992	10.0
130.07805	1.1
131.04909	1.4
131.08569	17.1
132.05727	0.8
133.06511	4.1
133.10123	8.6
135.08051	2.8
135.11726	1.1
137.06012	1.6
139.07516	0.9
141.07018	1.5
141.50510	0.8
142.07765	5.5
143.08556	19.6
144.09325	1.4
145.06470	2.3
145.09032	1.4
145.10127	20.2
146.07275	0.9
147.08055	6.7
147.11678	2.5
149.06010	1.4
149.09621	1.2
149.13388	1.3
151.07620	1.5
155.08572	3.1
156.09317	3.2
157.06532	4.7
157.10124	16.0
158.07304	1.0
159.08138	2.1
159.11681	13.0
161.05966	2.8
161.09637	6.1
161.13281	5.1
163.04027	0.8
163.07550	3.7
163.14864	1.1
165.07016	1.9
168.09286	1.0
169.10101	1.2
170.10898	2.0
171.08084	4.1
171.11679	1.8
173.09637	4.3
175.07538	6.5
175.11183	3.6
175.14821	3.2
177.12767	1.2
180.09377	2.4
183.11769	1.2
185.13251	36.6
187.11272	1.2
187.14827	3.8
189.09068	5.8
189.12708	2.7
191.08560	1.1
191.10626	1.4
195.11682	6.1
198.10353	1.0
199.14742	0.9
201.12717	1.2
203.10712	4.2
203.14317	12.9
213.12738	14.5
217.15941	3.9
219.13814	0.8
231.10069	2.6
231.13799	100.0
232.14220	1.2
237.73502	0.8
249.09013	3.3
249.11285	2.5
249.14867	20.4
249.18384	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	249.1485
Annotation	3alpha-Hydroxy-desoxo-achalensolide
Peak:m/z	Relative Intensity
52.63530	1.2
53.03931	1.7
55.01862	3.3
55.05505	3.2
57.07053	1.2
57.55387	1.0
67.05496	6.3
69.03410	2.1
69.07043	4.5
69.53503	3.2
69.53921	7.7
69.89458	1.2
73.02917	9.4
79.05494	7.1
81.07054	24.2
91.05478	12.9
93.07042	13.0
95.04956	2.9
95.08611	10.0
105.07026	37.5
107.04996	1.2
107.08598	11.4
109.06531	2.2
109.10141	3.3
116.06198	1.8
117.07003	14.1
119.08577	19.9
121.06495	3.9
121.10137	6.4
123.08096	1.5
125.06000	1.4
128.06227	5.1
129.07001	11.1
130.07751	4.9
131.08556	31.2
133.06444	2.6
133.10127	9.9
135.08064	1.3
139.07552	3.3
141.05449	1.3
141.06987	1.9
142.07777	6.7
143.08563	19.4
144.09328	7.6
145.06483	3.9
145.10130	31.2
147.08064	2.9
147.11681	4.4
149.06012	1.6
151.07544	1.7
155.08568	2.8
156.09340	5.5
157.10127	17.9
158.11000	1.6
159.08083	6.9
159.11687	100.0
160.11948	1.7
161.05948	1.3
161.09627	2.6
161.13264	9.4
163.07521	1.7
163.11212	1.3
168.09335	1.7
170.10898	2.4
170.16989	1.2
171.08051	3.8
171.11664	9.9
173.13278	10.1
175.07585	2.0
175.11256	1.4
175.14813	2.7
178.07793	1.8
183.11658	4.1
185.09656	2.0
185.13257	18.1
187.11154	1.4
187.14810	25.1
189.09062	3.4
189.12727	2.1
191.08452	1.5
193.08586	2.2
201.12735	25.2
203.14302	7.9
205.15900	2.2
213.12724	4.1
219.08032	1.2
219.13795	26.5
231.10283	1.6
231.13803	17.2
249.09221	5.5
249.14853	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
51.38100	1.4
54.04629	1.3
55.05502	3.5
67.05499	5.5
69.03431	2.2
69.07075	1.7
70.69253	2.3
70.69637	2.5
71.04981	2.4
79.05508	8.0
81.07049	20.8
83.04953	1.9
91.05477	13.9
93.07022	13.2
95.04950	3.3
95.08607	10.0
97.06531	1.5
97.15697	1.4
99.72594	1.6
103.05443	1.9
105.07024	25.4
107.07961	1.6
107.08602	10.9
109.02845	2.8
109.06491	3.0
109.10142	2.7
117.07017	10.5
119.04991	2.4
119.08578	20.1
121.06516	5.3
121.10142	8.9
123.04460	1.6
123.08072	4.0
128.06230	5.5
129.07036	8.7
130.07767	1.8
131.08589	12.8
133.06509	3.4
133.10092	9.3
135.08061	3.3
137.09666	2.2
141.06927	2.1
142.07777	4.0
143.08565	22.9
144.09361	2.9
145.06540	1.7
145.09062	2.0
145.10130	26.5
147.08070	6.1
147.11684	5.5
149.09538	1.7
151.07585	4.3
154.72089	1.6
155.08578	3.6
156.09447	2.2
157.06485	1.8
157.10120	16.9
159.08067	3.0
159.11687	13.6
161.09534	7.3
161.13260	5.3
170.10997	2.1
171.08069	4.4
171.11708	4.6
173.09622	7.7
175.07574	7.5
175.11194	3.7
175.14877	2.7
185.13278	27.8
187.11197	3.1
187.14787	1.7
189.09059	2.1
189.12704	4.7
191.10796	7.6
195.11719	7.0
201.12651	2.0
203.10806	3.6
203.14369	20.7
213.12772	11.8
231.13792	100.0
232.14093	3.2
249.14877	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.61233	2.1
55.05509	3.1
56.06757	1.9
56.72389	1.9
57.07059	2.1
66.98190	1.7
67.05495	9.3
67.63225	2.0
69.03420	2.4
69.07063	3.9
69.88663	7.3
69.89101	7.3
71.04958	4.8
79.05471	9.0
81.07037	12.8
81.17143	2.0
87.44870	2.0
91.05476	25.3
93.07047	13.2
95.04944	4.5
95.08584	8.5
105.03402	2.0
105.07027	26.0
107.04924	2.5
107.08538	10.3
108.10024	2.1
109.06501	2.8
115.05419	3.0
117.07018	14.1
118.07343	2.1
119.08580	27.9
121.06493	4.0
121.10105	7.5
128.06224	3.0
129.06984	8.4
130.07765	3.1
131.08559	76.3
133.10112	6.1
135.04413	8.0
135.08054	3.0
142.07758	4.1
143.08559	25.0
145.06448	3.0
145.10117	100.0
147.08028	4.3
147.11761	3.3
149.05942	4.3
155.08527	3.0
157.10143	11.4
159.11710	7.5
161.09622	6.1
171.08119	4.3
171.11739	2.4
173.09579	7.7
173.13176	2.5
175.07552	7.1
185.13287	43.5
187.14801	49.0
189.09132	4.0
191.10704	44.7
203.14417	13.3
213.12720	7.5
226.11124	4.7
231.13829	73.7
232.14168	2.0
234.08931	2.5
249.11311	2.4
249.14810	26.9
249.18562	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	249.1485
Annotation	loxoprofen active metabolite
Peak:m/z	Relative Intensity
53.03934	3.9
55.01860	2.6
55.05499	8.6
57.07070	2.2
59.16021	2.2
65.03922	2.3
67.05510	10.9
69.03426	4.2
69.07056	9.6
71.04974	4.5
71.59772	3.7
76.93391	2.1
79.05490	15.9
81.07061	33.3
83.04973	6.9
83.08620	3.5
91.05479	33.6
93.07050	30.3
95.04964	8.2
95.08600	31.5
97.02912	2.2
97.06520	3.7
103.05456	5.2
105.07031	86.9
107.04937	3.4
107.08601	28.0
109.06476	4.3
109.10175	4.8
111.08054	3.7
115.05443	4.4
117.07018	30.0
119.04912	4.4
119.08581	72.1
121.06499	16.0
121.10142	26.0
121.19537	2.0
123.08056	6.7
128.06227	12.5
128.06996	2.1
129.06999	18.2
130.07790	5.2
131.08563	34.4
133.06467	8.7
133.10129	43.0
135.08040	6.4
135.11665	9.3
137.05978	3.5
139.31198	2.2
141.06894	4.2
142.07785	15.5
143.07487	3.7
143.08566	54.1
144.09331	4.2
145.06453	5.9
145.10112	38.2
147.08031	19.8
147.11697	12.8
149.05901	3.3
151.07530	5.9
155.08545	8.4
156.09325	7.8
157.06517	4.0
157.10135	53.0
158.07225	2.4
159.08028	2.5
159.11697	32.6
161.05988	6.6
161.09650	14.0
161.13239	16.1
163.07536	5.3
165.06970	6.9
167.08662	2.1
169.10097	4.6
170.10887	11.8
171.08057	9.4
171.11684	6.6
173.09654	5.2
175.07545	15.2
175.11156	4.4
175.14842	28.6
180.09343	5.3
185.09651	3.2
185.13260	76.0
186.13509	2.1
187.11186	4.6
187.14828	6.2
189.09100	9.8
189.12767	11.1
195.11708	17.3
198.10400	5.3
203.14322	64.6
211.05183	2.3
213.12740	36.1
221.15414	3.0
231.13802	94.9
232.14442	2.3
249.14868	100.0
257.33707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1484
Annotation	(+)-Terrecyclic acid A
Peak:m/z	Relative Intensity
55.05498	9.3
62.65973	1.9
67.05494	8.1
67.47267	1.9
69.03433	11.9
69.07048	4.4
71.04968	3.9
71.46638	3.1
79.05501	10.8
81.07056	23.2
83.04986	2.9
83.08621	3.2
84.76852	2.0
85.06535	7.1
91.05486	17.4
93.07040	17.8
95.04958	6.6
95.08597	11.2
97.06508	3.9
104.04996	1.9
105.07027	62.6
107.08572	21.0
109.06492	8.8
109.10155	4.4
111.08054	3.0
117.07018	23.7
119.05067	2.1
119.08586	39.5
121.06469	2.5
121.10140	5.8
123.08047	7.2
128.06215	9.4
128.16658	2.0
129.07033	12.3
130.07756	7.5
131.08572	28.9
133.10123	36.5
135.08046	12.7
135.11682	6.5
141.06961	2.6
142.07780	16.5
143.08565	31.2
145.10130	71.2
147.08044	9.9
147.11679	30.4
149.09537	2.7
155.08559	4.9
156.09351	9.9
157.10127	38.6
158.10730	3.3
159.11708	14.8
161.09660	14.1
161.13315	13.9
163.11168	7.0
167.10672	2.2
170.10942	6.1
171.11665	7.4
173.09676	13.9
175.11188	40.3
175.14815	13.9
179.76520	2.0
185.13266	46.9
187.11205	5.2
187.14851	2.3
188.11769	2.1
189.09123	6.9
189.12752	100.0
191.10677	30.9
195.11687	3.3
203.14340	77.6
207.13776	3.8
213.12772	11.1
218.00516	2.0
221.15251	5.0
231.13820	70.8
249.14900	28.6
259.38254	2.5
269.21472	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	249.112
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
51.87617	1.2
53.03920	1.5
55.01871	1.8
55.05502	4.8
67.05495	7.0
69.03433	2.2
69.07040	1.8
71.04990	2.2
71.64651	2.0
75.88478	1.3
79.05489	10.1
81.07054	9.6
81.84655	1.1
83.08609	1.7
85.02876	1.6
87.27821	1.1
91.05479	26.7
93.07041	10.9
95.04970	6.7
95.08601	9.4
97.06509	2.0
103.05453	4.2
105.06379	2.2
105.07029	28.5
105.53717	1.2
107.04940	9.8
107.08594	7.2
109.06492	2.8
109.10141	3.0
115.05433	10.6
116.06239	8.8
117.07039	9.4
119.04919	2.6
119.08570	15.6
121.06470	3.8
121.10146	5.6
123.04407	1.5
125.78936	1.2
128.06227	17.0
129.07004	67.3
131.04930	6.6
131.08557	57.0
132.05698	4.6
133.06493	13.0
133.10110	7.9
135.04436	2.1
135.08034	2.9
137.05920	2.5
141.06985	11.4
142.07753	4.6
143.04935	1.8
143.08551	17.8
144.05702	20.6
145.06496	10.5
145.10123	13.2
146.07242	8.6
147.04390	3.9
147.08061	5.8
147.11682	2.7
149.05965	2.0
149.09569	1.8
151.07547	2.1
155.05980	2.2
155.08542	2.2
156.05704	1.9
156.09253	1.6
157.06493	17.5
157.10135	12.3
158.07338	1.5
159.04387	2.3
159.08052	72.3
159.11688	12.6
160.05194	2.1
160.08449	1.3
161.05974	34.1
161.09590	23.8
161.13286	3.1
163.07570	1.9
165.06892	2.2
167.07042	2.6
167.08571	1.7
169.07608	8.7
170.07227	3.7
170.10912	1.7
171.08026	6.3
171.11699	1.2
172.05186	5.5
173.05963	5.0
173.09583	2.8
174.06760	13.5
175.07571	13.5
175.11220	2.7
175.14743	2.1
178.07715	1.3
180.09302	2.0
185.09615	2.4
185.13292	20.8
187.07542	100.0
187.14842	2.2
188.08026	3.7
189.05463	10.8
189.09090	39.6
189.12723	1.8
191.06999	2.2
191.10667	2.4
192.07816	1.8
195.11671	5.8
199.07518	2.1
201.12762	1.9
203.06978	1.5
203.10709	3.0
203.14326	8.4
204.07813	94.3
205.08440	3.7
206.09375	2.2
207.10226	1.5
213.12758	8.8
216.07962	1.5
217.08589	21.6
217.15808	2.0
219.10149	35.8
221.09669	2.0
221.11702	23.3
228.52269	1.2
231.10402	7.8
231.13792	49.1
237.84395	1.4
249.05373	1.4
249.09003	6.9
249.11229	21.1
249.14824	16.4
249.18530	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	249.112
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
54.89994	1.7
55.01857	2.2
55.05494	2.1
57.07066	1.8
67.05502	4.6
69.03420	1.6
69.07058	3.1
70.50155	3.1
73.42763	1.5
79.05482	4.6
81.07048	9.2
83.04942	2.0
84.12051	1.4
91.05476	26.5
93.07008	7.1
95.04961	5.0
95.08626	4.0
103.05478	7.8
105.07022	35.0
107.04948	13.7
107.08600	3.5
109.10134	2.2
115.05436	15.4
116.06210	8.4
117.07019	12.5
119.04926	4.7
119.08592	8.2
121.06509	5.3
121.10146	2.1
128.06207	29.4
129.07002	100.0
130.07745	2.0
131.04927	10.4
131.05766	1.7
131.08563	53.7
132.05673	11.0
133.06487	28.5
133.10121	8.4
135.08061	1.8
137.06015	2.4
141.06944	13.2
142.07747	3.3
143.08562	12.5
144.05682	20.0
145.06451	16.1
145.10129	6.0
146.07245	20.6
147.04378	5.8
147.08025	3.5
147.11716	2.7
149.09711	1.9
155.06030	4.8
156.05804	1.6
157.06485	37.5
157.10165	4.5
159.08047	70.0
159.11693	7.1
160.05156	3.8
161.05978	54.0
161.09608	56.7
167.07047	6.8
169.07651	6.2
170.07262	5.8
171.07977	7.5
171.11803	1.9
172.05193	3.5
173.05962	8.5
174.06755	18.1
175.07532	22.9
175.11206	1.7
185.13393	3.4
185.14917	1.5
187.07530	84.2
188.08199	2.7
189.05547	8.7
189.09108	96.1
191.07014	4.7
192.07785	3.8
193.08231	2.0
199.07498	2.9
203.10704	2.6
203.14482	1.8
204.07811	71.0
205.08524	8.4
206.07451	2.1
206.09245	7.4
207.06381	1.8
207.10153	6.6
216.07886	2.9
217.08592	55.9
217.15903	2.3
219.10130	26.2
221.09698	2.9
221.11702	55.3
228.86148	2.0
231.10274	11.9
231.13727	6.5
234.06870	2.0
244.49536	1.7
249.09041	6.2
249.11232	33.0
249.14885	8.6
249.18610	4.8
249.24951	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.091
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
69.03371	0.3
69.60681	1.7
69.61089	0.4
79.05499	0.3
80.43748	0.2
91.05447	0.3
93.07064	0.4
97.06522	0.3
98.21454	0.5
98.97557	0.3
105.07005	0.5
105.60604	0.2
107.08620	0.3
111.74931	0.2
118.63188	0.2
119.08536	0.3
128.06195	0.3
129.07066	0.3
143.08554	0.3
147.08116	0.3
152.06248	0.3
161.09660	0.3
165.07005	2.8
176.06169	0.4
177.06984	0.8
178.07776	9.3
179.08551	6.2
181.06480	0.3
189.06992	5.6
189.08772	0.4
190.06436	0.2
190.07767	15.1
191.08549	68.6
192.08963	1.5
193.06461	0.5
193.10120	4.3
200.06247	0.5
201.06969	2.0
202.07764	6.0
203.08565	6.9
204.09213	0.4
205.06485	2.7
206.07242	1.2
207.08038	5.5
217.06459	1.1
218.07283	1.7
219.08046	42.4
220.08484	1.4
221.06107	1.2
221.09605	3.5
222.06839	0.3
229.07626	3.8
231.08078	1.9
231.10144	0.5
231.13850	0.3
232.08794	0.5
234.06754	1.2
235.07530	11.8
237.10580	0.3
247.07550	0.8
248.08382	0.5
249.09102	100.0
250.09833	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	249.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85210	0.3
52.41477	0.3
71.10021	0.9
74.75145	0.3
79.05499	0.4
81.07028	0.5
91.05484	0.5
93.07066	0.5
95.04993	0.4
95.08573	0.3
96.04443	0.3
97.06548	0.3
105.07015	0.8
107.08610	0.5
110.06026	0.3
115.05459	0.5
117.07037	0.7
120.21584	0.3
124.07580	0.7
125.08381	1.0
126.09155	0.9
128.06230	0.4
129.06993	1.1
131.04898	0.4
131.08569	0.7
133.06522	0.3
133.10210	0.4
134.09679	0.4
143.08502	0.3
145.06519	0.7
152.06216	0.6
157.06433	0.4
159.08075	1.0
161.06024	0.5
161.09639	0.4
163.05489	0.3
165.06998	1.5
175.07541	0.7
177.06989	0.7
178.07777	28.3
179.08440	1.3
187.07639	0.6
188.14395	0.4
189.05515	0.5
189.07004	8.2
189.08853	0.5
190.07768	10.4
190.09494	0.6
191.08554	27.8
192.05681	0.6
192.08969	0.8
193.06564	0.3
193.10153	2.1
195.08138	0.6
201.07025	0.8
201.86467	0.4
202.07767	4.2
203.06963	0.4
203.08646	3.5
203.10478	0.4
205.06494	5.8
206.07271	17.5
207.07886	1.6
213.09146	0.5
216.05737	1.3
217.06554	1.8
218.07278	4.2
219.08049	15.8
220.05168	0.5
220.08656	0.9
221.09621	48.4
222.09958	1.0
229.07686	1.8
231.08044	0.7
231.10072	0.6
231.14874	1.0
233.05951	0.5
234.06755	12.2
235.07530	3.7
245.04256	0.3
248.08344	0.4
249.09113	100.0
249.16048	2.4
250.09683	5.1
259.08713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0909
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
67.05497	0.3
69.03422	0.4
69.07050	0.6
71.04997	0.4
71.18696	0.4
79.05488	0.5
80.24891	0.2
81.07037	0.6
85.02895	0.5
91.05480	1.6
92.45895	0.2
93.07042	0.5
95.04939	0.3
95.75254	0.2
97.02867	0.3
97.06538	0.6
103.05364	0.3
103.15325	0.3
105.07011	0.8
107.04919	0.4
107.08574	0.3
109.02863	0.3
109.06504	0.3
115.05396	0.4
119.04900	0.4
119.08540	0.7
121.10151	0.2
128.06203	0.3
129.06953	0.5
131.08583	0.4
133.10146	0.5
137.05963	2.2
143.08542	0.5
145.10104	0.3
147.08063	0.2
147.11618	0.3
152.06201	0.8
153.05547	0.2
157.10149	0.5
161.05977	0.6
161.09613	0.3
164.79822	0.2
165.06984	0.7
170.36153	0.2
175.07503	0.4
176.06143	0.4
177.06944	0.8
178.07770	34.2
179.08249	0.8
179.79468	0.2
185.13219	0.3
188.06192	0.5
189.06987	9.4
189.09033	0.9
190.07768	4.5
191.08517	2.0
192.05681	0.7
193.06477	0.4
193.08453	0.4
193.10130	1.2
201.06975	0.5
202.07768	3.9
203.06976	0.3
203.08548	1.7
203.10622	0.7
203.14355	0.2
205.06474	6.9
206.07265	27.0
207.07814	0.7
211.36635	0.3
213.12599	0.3
216.05649	2.1
217.06482	3.1
218.07263	6.6
219.07997	1.7
220.05147	0.4
220.08830	0.3
221.09619	42.6
222.09923	0.8
229.07536	0.5
230.07016	0.2
231.08154	0.5
231.10110	0.5
231.13782	0.8
233.05968	0.9
233.11697	0.8
234.06746	17.1
235.07491	2.4
245.07315	0.4
245.10522	0.3
248.04684	0.4
248.08253	0.6
249.09106	100.0
250.09435	2.4
259.08679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96280	1.5
56.96560	23.6
64.36767	0.7
71.41335	1.5
79.02296	0.8
84.96036	2.2
94.93000	2.3
98.97576	100.0
100.24127	0.8
100.99136	17.7
101.00874	5.6
106.69489	0.8
112.99110	1.9
113.35014	0.8
116.98613	66.2
119.00182	5.6
119.01920	17.4
120.01982	0.8
128.98569	1.8
131.00175	2.9
131.01871	0.8
134.99646	24.0
137.02989	2.4
140.00237	3.3
143.00148	16.6
143.01906	3.2
145.03462	1.4
146.99644	3.2
149.01210	2.0
153.00717	2.1
158.01266	1.2
158.99672	2.2
159.01405	1.1
161.01227	25.0
161.02942	12.0
162.99165	1.7
165.00706	16.6
177.00720	6.2
177.02473	3.8
179.02237	3.3
183.01758	10.7
184.04707	0.9
189.00717	20.8
189.02420	3.3
191.02351	0.9
191.03998	1.3
207.01755	59.2
208.02203	1.0
225.02785	9.2
230.03345	4.0
249.04434	3.4
267.03766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
56.96560	36.3
57.03427	2.0
61.02926	1.3
63.23272	0.7
69.03429	1.7
70.98119	6.1
71.04990	1.9
71.09148	2.0
71.95255	0.7
72.08136	1.3
73.02907	1.8
73.96015	0.7
73.97903	0.6
74.97595	1.1
83.04956	0.9
83.30126	0.7
84.96017	2.9
85.02888	2.7
86.97597	0.9
87.04453	1.1
88.99154	4.2
97.02874	2.0
98.97576	100.0
99.04402	1.0
100.00070	0.9
100.99139	12.2
101.00871	2.9
107.00198	1.0
110.97564	3.6
112.99116	4.9
114.06785	1.5
115.02422	1.9
116.98615	63.3
118.01088	1.3
119.00173	4.0
119.01882	7.8
121.01641	0.9
126.01563	0.8
128.98618	4.2
129.03967	1.1
131.00165	10.0
131.01889	3.1
133.03473	5.3
134.99641	21.5
135.03091	1.0
136.10022	0.7
137.02930	1.0
137.97963	0.7
140.00180	3.0
141.03989	1.1
143.00163	12.2
143.01840	1.7
145.01721	1.2
145.03464	1.1
146.99644	9.9
147.05023	3.1
149.01236	7.0
149.27896	0.8
150.99091	1.2
151.04538	1.2
153.00700	1.9
156.02652	3.1
158.01311	0.8
158.99632	10.4
159.05037	2.4
161.01225	20.5
161.02931	3.8
162.72929	0.7
165.00717	16.3
167.02196	1.5
168.05565	0.7
170.99637	1.2
171.05000	6.2
173.01241	1.6
173.06639	1.1
174.99173	1.0
175.04385	0.7
177.00703	14.7
177.06053	1.3
178.04910	1.3
179.02286	3.2
183.01768	8.8
184.02264	2.8
189.00691	19.5
189.02341	1.4
189.06061	3.5
191.02274	1.6
193.00255	2.0
195.01907	0.8
199.04506	2.0
200.02361	1.5
203.07506	1.1
207.01753	48.3
212.06215	1.3
217.05492	1.7
219.07117	1.0
221.03221	1.0
225.02809	9.1
225.08185	0.9
228.07536	5.1
230.03365	3.1
231.13901	0.8
249.02708	4.5
249.08229	19.3
265.05933	1.8
267.03839	2.9
267.09082	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03946	3.2
60.02561	2.4
62.85259	2.2
65.03922	2.7
67.05492	5.0
69.01062	2.2
69.03410	3.8
69.07075	2.8
70.32070	11.2
71.04990	4.7
79.05474	9.6
81.07063	24.5
91.05472	22.7
93.07034	11.5
95.04940	6.9
95.08660	3.2
96.89680	2.4
97.06539	3.3
103.05448	4.5
105.07034	37.3
107.08591	10.4
109.06506	10.5
109.10173	3.3
111.04417	3.0
113.30010	2.5
114.45815	2.4
115.05447	5.0
117.07004	18.6
119.08553	9.8
121.06493	5.7
121.10079	3.2
128.06219	28.1
129.06973	9.8
130.07785	4.5
131.08580	38.3
133.06502	4.0
133.10124	4.8
135.08000	2.8
135.11671	4.6
137.09566	3.3
141.06972	6.6
142.07767	10.3
143.08563	59.4
144.09329	7.7
145.06473	10.6
145.10103	18.3
147.08109	5.7
147.11708	3.8
153.06966	7.1
155.08568	12.9
157.10147	18.6
159.08034	24.9
159.11719	16.6
161.09604	5.8
165.36110	2.1
168.09361	12.9
169.10081	4.7
171.08047	16.6
173.06010	5.5
173.09647	4.6
173.13289	10.0
175.11169	9.1
183.11693	34.9
185.09644	3.4
185.13326	3.1
187.07564	8.9
187.11182	43.8
189.09123	45.8
201.12752	67.2
205.12167	4.9
211.11214	10.9
219.13800	4.9
229.12233	100.0
247.13327	46.5
251.68964	2.4
258.68805	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	249.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
53.86331	0.6
55.01870	1.0
55.05505	1.3
56.96563	65.4
57.03423	3.1
59.04983	1.0
60.95824	1.1
61.02927	3.8
69.03417	3.1
69.99693	4.0
70.00004	0.9
70.06599	0.8
70.98119	55.8
71.04980	2.0
71.95252	1.9
72.04517	1.0
73.02907	2.7
74.97604	7.4
79.14403	0.7
81.03416	1.5
83.05002	0.7
84.04449	0.8
84.96044	1.7
85.02914	5.0
86.09698	0.7
86.97595	1.6
87.04445	0.9
87.69545	0.8
88.99155	43.8
92.98636	1.6
94.71595	0.7
97.02879	5.4
97.99182	2.0
98.97579	100.0
99.03761	0.7
99.04445	0.8
100.99113	3.8
101.00851	0.9
102.96831	0.7
107.00194	14.7
109.02930	0.9
110.97556	1.3
112.99131	5.3
116.98615	61.0
119.00198	1.6
119.01865	2.6
121.01646	1.3
125.01241	0.8
127.03918	1.5
128.02298	0.8
128.98595	20.4
129.03935	1.1
131.00174	9.1
131.01855	1.5
131.03783	0.8
133.01715	0.9
133.03467	2.4
134.99651	23.7
140.00198	1.7
140.05011	1.0
143.00163	3.5
144.98102	0.8
145.01697	2.2
145.03450	0.9
145.04997	1.1
146.04999	2.6
146.99644	75.7
147.04961	3.2
148.03891	2.5
149.01212	7.9
153.00739	1.6
154.03831	0.8
155.04614	3.0
155.05658	1.4
157.04466	1.0
158.01292	1.3
158.99655	5.6
159.05061	1.1
161.01236	5.9
161.02957	1.4
161.54343	1.0
163.02745	1.8
163.04401	1.1
165.00711	77.5
165.06078	1.4
169.04399	2.0
170.01297	2.1
171.04927	0.7
173.01335	1.0
173.06485	0.8
175.11780	0.7
177.00700	8.4
177.04298	0.8
177.06161	1.2
178.04953	5.1
183.01784	12.5
188.02272	3.0
189.00705	49.8
189.06078	2.2
191.02252	1.1
192.96500	1.0
201.00725	0.8
201.06113	0.9
207.01765	77.5
208.01920	0.9
216.25987	0.7
225.02824	10.0
225.06302	1.6
226.02504	1.6
230.03317	4.5
237.02702	1.8
243.03522	0.9
248.99191	1.8
249.02846	7.4
249.06084	1.5
249.08246	3.0
250.02411	0.7
250.07169	1.9
259.29868	0.7
261.08072	1.0
267.00256	0.8
267.03867	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Xanthatin
Peak:m/z	Relative Intensity
55.05510	2.6
61.00879	2.0
67.05502	7.3
69.03439	2.7
69.07058	2.5
69.62760	16.1
71.04968	2.5
79.05481	10.6
81.07060	34.5
91.05492	12.5
93.07040	12.2
95.04956	6.1
95.08612	5.6
97.06523	2.9
102.22722	2.2
103.05453	3.7
105.07035	25.8
107.04988	2.4
107.08591	10.3
109.06496	19.5
109.07031	1.9
109.10165	2.9
115.05486	3.9
117.07014	15.4
119.08604	11.2
121.06493	4.4
121.10170	4.6
123.04444	2.1
128.06233	12.7
129.07027	12.2
130.07809	4.0
131.08568	28.6
133.06491	2.9
133.10143	9.5
135.08084	3.3
135.11696	5.8
141.06992	4.9
142.07782	5.4
143.08568	38.3
145.06480	12.4
145.10133	13.9
147.08037	5.5
147.11674	4.8
149.06029	4.4
153.07048	5.2
154.07777	3.4
155.08536	9.3
157.10123	13.8
159.08061	20.6
159.11676	15.5
161.05995	2.9
161.09616	5.1
168.09355	12.9
169.10214	3.9
171.08028	10.0
173.06012	7.6
173.09737	3.5
173.13292	10.1
175.03903	3.4
175.07486	3.1
175.11151	4.6
183.11719	35.1
185.09601	3.3
185.13318	2.3
186.10382	2.4
187.07602	13.8
187.11189	65.5
189.09116	28.0
201.09343	2.4
201.12746	52.1
201.14507	4.2
203.10672	2.3
205.12242	6.5
211.11198	14.0
219.13860	5.6
229.12239	100.0
247.13283	59.4
260.02808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
53.03946	2.9
54.15231	2.0
55.01850	4.1
55.05500	9.7
57.03417	2.6
65.03937	3.7
66.18501	1.9
67.05502	15.4
69.03420	3.9
69.07066	5.7
69.57101	16.2
71.04997	2.8
79.05487	23.5
81.03418	9.1
81.07059	38.2
83.04958	5.2
91.05482	42.4
93.07041	23.5
95.04451	2.0
95.04964	14.3
95.08622	9.9
96.81931	2.4
97.06514	3.9
103.05463	7.2
105.07027	50.2
105.44450	2.2
107.04945	6.8
107.08601	21.6
109.06489	12.9
109.10120	3.0
115.05445	13.7
116.06228	2.9
117.07014	31.6
119.04930	3.6
119.08579	26.6
119.97177	2.4
121.06496	12.6
121.10137	3.3
123.08038	3.0
128.06216	25.8
129.07013	36.8
130.07758	6.4
131.04903	5.3
131.08569	54.3
133.06461	10.7
133.10100	11.8
135.08051	28.9
135.11720	4.7
136.08835	6.0
137.05954	3.7
141.06979	16.7
142.07759	20.8
143.08559	45.0
144.09276	5.8
145.06502	14.9
145.10141	32.4
147.08002	8.5
147.11671	4.6
149.05974	3.3
149.09598	2.6
151.07550	3.2
153.06958	9.5
154.07753	5.7
155.08549	40.1
156.09348	5.1
157.06480	4.2
157.10115	32.5
158.07222	3.1
158.10922	3.1
159.08083	22.1
159.11679	18.7
161.05992	3.1
161.09592	7.6
167.08517	4.6
168.09354	33.2
169.10085	5.0
171.08081	5.4
171.11673	16.0
173.06018	7.5
173.09634	9.5
173.13252	38.3
175.03877	8.2
175.11205	6.4
178.07848	2.6
181.10083	4.6
183.11688	81.4
185.09691	3.2
185.13210	12.1
186.10365	3.7
187.07590	12.7
187.11198	13.8
189.09055	12.3
191.07008	3.0
191.14212	2.3
193.10181	4.3
196.08797	2.5
199.11229	8.2
201.09189	5.6
201.12750	86.9
203.10664	2.8
211.11227	24.3
215.06985	4.6
215.14391	2.9
217.12280	11.1
219.13828	7.9
229.12228	100.0
230.12482	3.9
247.09674	7.9
247.13298	85.6
247.17014	3.7
248.13623	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	247.1328
Annotation	Xanthatin
Peak:m/z	Relative Intensity
55.01842	4.4
55.05507	4.7
67.05486	11.6
67.82265	3.2
69.03410	4.2
69.07045	3.2
69.44591	29.6
71.04964	4.6
78.88719	2.7
79.05480	13.2
81.07056	21.4
91.05479	26.7
93.07048	21.6
95.04940	5.3
95.08585	6.1
97.06496	5.8
105.07017	41.1
107.04892	2.6
107.08582	20.1
109.06516	9.8
111.08012	3.7
115.05439	5.8
117.07015	18.6
119.04941	4.5
119.08595	23.6
121.06509	9.1
121.10059	3.9
123.08045	4.2
128.06233	19.5
129.06973	14.3
130.07777	5.1
131.08566	41.6
133.06480	5.0
133.10110	16.8
135.04375	3.4
135.08067	7.1
137.05917	4.0
141.06941	10.9
142.07710	11.6
143.08548	41.4
144.09274	4.7
145.06456	15.6
145.10089	24.2
147.04366	2.8
147.08003	6.9
147.11623	6.8
149.05984	6.2
149.09526	3.5
149.13303	4.0
150.97090	2.8
153.06979	6.6
154.07710	3.4
155.08588	14.8
156.09314	5.3
156.58612	2.8
157.10149	21.1
158.07182	2.9
159.08063	21.2
159.11690	36.2
161.05934	4.9
161.09578	24.4
162.36461	3.1
163.11189	3.9
168.09322	16.3
169.10106	8.9
171.07928	5.8
171.11661	5.1
173.05960	6.3
173.09634	10.7
173.13239	18.2
175.03912	4.7
175.11151	8.1
177.09067	8.6
177.12767	7.6
182.40982	3.1
183.11668	37.0
185.13258	7.0
187.07532	9.3
187.11156	36.7
189.09099	43.2
191.06955	5.7
191.14392	3.5
199.11232	3.6
201.09116	4.0
201.12732	56.7
203.10603	7.5
203.14276	4.7
204.05763	3.3
205.12233	17.4
211.11215	13.4
217.12227	8.2
219.08083	6.6
219.13762	11.3
229.08688	3.8
229.12206	66.6
246.09042	3.1
247.07576	7.7
247.09746	4.7
247.13268	100.0
248.13631	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	247.1328
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
55.01877	2.8
55.05484	4.5
57.07043	1.7
58.07364	2.1
61.75193	1.9
67.05492	5.0
70.06578	4.6
71.05006	2.9
71.49382	3.0
79.05486	8.4
79.32593	2.0
81.07047	16.7
83.04996	2.7
87.77651	1.8
88.07609	8.4
89.07973	3.3
91.05480	27.8
93.07030	16.4
95.04941	5.1
95.08589	5.1
103.05467	5.3
105.07029	33.7
106.08658	3.8
107.04937	3.8
107.08582	9.2
109.06485	3.3
111.78796	1.9
115.05454	6.5
116.06233	2.7
117.07018	23.9
119.04945	2.8
119.08583	14.9
121.06519	5.4
121.10149	2.6
128.06224	26.9
129.07002	14.4
130.07788	2.6
131.04889	2.3
131.08560	48.4
133.06490	4.4
133.10172	10.2
141.06973	15.5
142.07791	14.4
143.08556	46.0
144.09328	5.7
145.06512	10.7
145.10103	26.3
147.08009	6.1
147.11678	8.2
149.05905	3.2
153.06989	7.9
154.07751	3.3
155.08531	28.7
157.06464	1.9
157.10112	26.9
158.07262	2.2
158.10709	2.3
159.04378	3.2
159.08054	21.7
159.11674	26.8
161.06006	3.4
161.09526	2.2
163.07536	4.1
163.13867	2.1
165.06982	2.4
167.08609	5.4
168.09340	30.4
169.10088	6.4
171.08072	6.6
173.05925	3.7
173.09595	7.2
173.13292	17.3
175.11180	7.1
181.10143	3.2
183.11687	83.4
184.12064	3.8
185.09616	3.6
185.13152	9.3
187.07532	45.2
187.11172	30.1
189.09123	10.4
193.10089	4.6
196.68115	2.1
201.09030	3.8
201.12746	59.0
202.12895	3.0
203.14310	2.7
205.12253	2.9
211.11159	19.0
219.13792	7.0
229.12230	100.0
229.23535	3.2
230.12627	3.2
247.13292	84.8
247.22144	4.0
247.24611	55.0
248.13661	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03940	2.0
55.01873	5.4
55.05499	4.8
57.07053	1.2
58.23907	0.8
59.04989	1.4
65.03942	2.1
67.05196	1.0
67.05506	9.6
69.03424	4.1
69.07065	6.2
70.13533	3.5
71.04979	2.8
73.02914	2.2
73.03297	0.8
77.03942	1.3
79.05491	9.9
81.03420	1.5
81.07054	17.2
83.04964	1.5
83.73699	0.8
85.02903	1.0
85.06539	2.1
91.05474	25.2
93.07034	16.7
95.04973	8.3
95.08598	7.9
95.25015	1.0
97.02863	1.2
97.06525	4.6
97.36259	0.9
99.08067	1.9
103.05456	3.3
105.04533	0.9
105.07020	39.2
107.04950	2.5
107.08588	21.9
109.02862	1.4
109.06517	5.9
109.10137	2.7
111.04374	1.1
111.08068	1.0
115.05453	7.3
116.06210	3.9
117.07009	22.7
119.04913	3.0
119.08575	26.4
121.06482	6.6
121.10169	2.2
123.04416	1.2
123.08054	1.3
123.11660	1.2
128.06216	22.0
129.06992	26.2
130.07816	4.9
131.04921	3.4
131.08557	45.3
133.06485	5.2
133.10123	10.4
135.08049	3.3
135.11690	2.1
137.05954	1.5
137.09561	1.1
141.06973	14.4
142.07773	30.4
143.08554	50.8
144.05696	3.7
144.09337	7.7
145.06473	16.6
145.10114	24.6
146.07288	2.2
147.04422	1.3
147.08023	5.6
147.11674	4.0
149.06020	2.7
149.09634	1.4
149.13219	1.1
153.05627	1.3
153.06973	10.6
154.07716	5.1
155.06023	1.2
155.08536	22.7
156.05717	1.8
156.09341	9.7
157.06487	3.3
157.10121	68.9
158.07222	2.7
158.10899	6.6
159.04486	2.0
159.08049	30.7
159.11685	36.2
160.08820	1.9
161.05920	2.6
161.09618	6.5
163.07558	1.4
165.06961	1.1
166.07899	1.0
167.07274	1.1
167.08553	5.5
168.09340	25.4
168.10815	1.4
169.06444	1.2
169.10115	15.9
170.10843	3.6
171.08064	9.5
171.11693	15.4
172.08823	2.6
173.05978	7.7
173.09599	8.8
173.13235	17.8
175.03911	3.5
175.07535	3.0
175.11176	15.6
177.05460	1.6
177.09123	1.6
178.07693	1.0
181.10115	3.7
182.10901	3.7
183.11690	43.8
185.09602	3.3
185.13254	22.9
186.06775	1.0
186.10362	1.9
187.07584	12.9
187.11176	33.6
187.14719	5.7
189.09094	18.9
189.12759	1.4
191.07021	8.4
193.10149	1.8
196.08769	2.1
197.13220	2.9
199.11168	20.2
201.09119	2.6
201.12727	41.3
203.06960	1.2
203.10614	1.1
203.14282	2.8
205.08604	2.9
205.12221	2.5
207.20819	0.8
211.11169	11.1
215.06941	1.1
215.14302	19.6
217.08571	2.5
217.12231	23.1
219.08127	1.5
219.10136	1.3
219.13858	2.5
229.08636	1.8
229.12225	50.8
247.09659	5.4
247.13295	100.0
247.16965	22.6
248.13649	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	247.1327
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03946	2.0
55.01868	3.4
55.05516	3.0
62.46081	1.4
63.51212	1.5
67.05491	4.8
69.03432	2.5
69.07064	2.4
71.01041	3.8
71.04994	3.5
77.03917	2.1
79.05502	9.9
81.07058	9.9
81.07463	1.6
91.05469	26.0
93.07049	8.9
95.04964	3.8
95.08592	4.3
97.06557	2.7
103.05450	4.5
105.07022	38.7
107.08585	8.4
109.06513	2.6
115.05451	13.8
116.06252	4.3
117.07014	32.9
119.08567	9.7
121.06479	3.5
127.05372	1.5
128.06218	62.4
129.07004	21.0
130.07797	10.1
131.04924	2.6
131.07584	2.7
131.08560	41.1
133.06490	3.3
133.10127	4.7
141.06990	9.0
142.07787	10.9
143.08553	100.0
144.09209	6.3
145.06467	14.9
145.10109	21.8
146.07233	3.1
147.08023	3.5
147.11708	2.9
149.06001	2.7
153.06982	7.5
154.07776	3.1
155.06035	3.9
155.08539	11.4
157.06409	1.9
157.10141	15.3
158.10823	2.3
159.08044	18.5
159.11700	16.2
161.09621	8.4
168.09351	16.7
169.10095	3.4
171.08049	24.4
173.05959	4.4
173.09645	2.7
173.13289	9.4
175.11157	8.0
177.09134	2.5
183.11688	38.6
185.09647	2.5
185.13284	2.7
187.07579	11.2
187.11168	37.2
188.11623	2.4
189.09105	99.5
190.09497	4.2
193.10178	2.1
201.12749	52.5
203.10587	1.8
205.12227	3.5
211.11168	9.0
217.29279	1.5
219.13803	4.5
229.12239	83.3
230.12564	3.0
241.49478	1.6
247.13278	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	247.1328
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
52.77391	1.1
53.03935	1.8
55.01874	7.3
55.05492	3.7
57.16484	1.1
65.78007	1.2
67.05492	3.3
69.03416	2.5
69.07071	2.8
69.54567	9.4
69.54969	2.8
73.02914	2.4
79.05504	6.0
81.07064	7.8
91.05476	14.3
93.07020	6.9
95.04951	3.4
95.08589	2.0
98.21583	2.1
100.26006	1.2
105.04458	1.3
105.07029	33.2
106.62498	1.1
107.08596	15.3
109.06522	1.9
109.10139	1.7
115.05428	2.7
117.07014	13.0
119.04946	1.8
119.08569	10.9
121.06468	3.2
121.10103	3.3
128.06219	12.2
129.07008	17.7
130.07773	3.0
131.04919	3.3
131.08560	29.1
133.06458	2.6
133.10121	5.1
135.11728	2.1
141.06979	10.8
142.07777	35.3
143.08559	35.0
144.09357	9.0
145.06500	10.2
145.10126	13.5
146.07204	1.7
147.08046	3.4
147.11682	3.8
153.06992	9.3
154.07733	4.8
155.08556	18.4
156.09355	8.8
157.10129	66.9
158.10878	5.9
159.08057	10.9
159.11682	38.2
160.08766	1.4
161.09605	2.3
166.07826	1.8
167.08514	2.5
168.09340	22.8
169.10114	12.6
170.10809	3.3
171.08032	2.8
171.11681	16.6
173.05977	1.7
173.09593	3.4
173.13243	17.6
175.11191	11.0
177.12787	1.5
178.98819	1.1
181.10101	3.7
183.11702	42.6
185.13255	22.6
187.07542	3.2
187.11172	25.5
189.09035	3.1
191.06987	4.2
191.14313	2.3
193.10144	1.3
196.08861	1.6
199.11172	26.9
201.12743	26.4
203.14276	4.6
205.08618	1.7
211.11176	8.9
217.12234	28.3
219.13797	4.8
229.10143	1.9
229.12250	23.6
244.66219	1.2
247.07587	4.4
247.13278	100.0
248.13655	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	247.1325
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03929	0.8
55.01883	1.1
55.05494	1.9
57.34742	0.6
62.33854	0.6
65.03941	0.6
67.05498	3.7
69.03435	1.6
69.43062	2.0
69.43491	4.9
71.04999	1.0
79.05091	0.7
79.05489	4.2
81.07053	10.0
83.04942	0.7
85.06533	1.0
91.05479	10.8
92.21297	0.7
93.07032	4.8
95.04960	2.0
95.08582	2.3
97.02869	1.3
97.06490	1.0
98.21519	1.3
103.05464	1.6
105.07025	16.8
107.04955	1.0
107.08611	4.6
109.06510	4.9
109.10167	1.4
115.05423	3.8
116.06248	1.6
117.07018	9.6
119.08577	6.6
121.06509	2.7
121.10162	1.7
123.04458	1.0
128.05354	1.1
128.06226	11.4
129.07014	7.6
130.07779	2.9
131.04887	1.4
131.08562	25.4
133.06474	1.6
133.10139	3.6
135.04387	0.7
135.11687	1.8
141.06978	3.5
142.07787	7.1
143.07465	1.5
143.08553	24.4
144.09351	3.8
145.06474	7.8
145.10120	10.9
146.07281	1.6
147.08038	2.8
147.11671	1.8
149.05963	1.4
153.06979	5.7
154.07753	2.4
155.08554	7.4
156.09332	1.0
157.10124	9.2
158.10846	1.1
159.04417	1.0
159.08044	12.4
159.11685	18.0
161.05890	0.6
161.09616	3.0
163.07462	0.8
167.08553	1.6
168.09348	12.1
169.10118	5.9
171.08063	4.4
172.08839	1.5
173.05940	2.4
173.09570	3.4
173.13263	7.8
175.11145	4.5
177.09026	0.9
183.11696	28.0
185.09628	1.9
185.13235	2.7
186.10376	1.5
187.07649	6.9
187.11171	100.0
189.09091	10.7
193.10127	1.0
196.08841	0.8
199.11156	0.9
201.12733	40.2
202.13104	1.0
203.10712	1.2
205.12234	3.0
211.11186	7.5
219.13766	2.6
229.12228	60.7
247.13278	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33140	18.2
56.96567	66.6
70.25376	94.1
72.08148	54.5
76.11799	17.6
78.92101	18.3
84.96032	24.6
86.09735	19.7
86.55117	15.4
94.45058	23.5
97.04682	16.1
97.96808	20.8
98.97570	20.9
101.00900	32.2
104.05542	18.1
104.10752	43.0
111.67169	17.0
118.08658	99.0
119.01963	29.5
121.01608	21.0
130.09741	19.6
131.00150	25.3
145.03464	28.6
149.01245	29.7
157.01697	26.1
157.03401	23.8
161.02940	42.6
175.02800	28.6
175.04468	23.0
181.30788	19.0
247.04240	100.0
247.06779	58.8
265.05814	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	247.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01864	5.4
55.05508	22.0
56.05021	2.2
56.96566	81.5
57.03431	6.3
57.07061	3.5
59.04998	2.8
61.02902	3.6
66.94981	1.8
67.05501	13.8
69.03434	15.8
69.07060	5.8
69.81070	11.4
70.06590	3.4
70.98111	5.6
71.04974	7.1
71.42551	1.7
72.08150	20.1
72.82233	1.7
73.02914	9.8
73.06554	17.3
74.97620	2.7
79.05479	9.1
81.03407	7.5
81.07056	15.8
83.04976	6.5
84.04514	10.0
84.08118	4.2
84.96009	5.1
85.02900	18.8
85.06531	8.1
86.09701	10.1
87.04466	3.2
88.03992	3.8
88.89055	2.0
88.99160	5.9
91.05498	19.1
93.07022	10.2
95.04958	8.0
95.08593	6.5
97.02908	17.9
97.06512	4.5
98.97585	45.0
99.04449	3.2
102.97010	2.4
103.05479	4.1
105.07025	25.6
107.04919	2.3
107.08601	6.7
107.43965	2.0
109.02922	2.5
109.06503	8.7
109.10155	2.6
110.03113	2.2
110.97547	6.2
111.03808	2.6
111.04456	2.5
115.03958	3.4
115.05439	5.7
116.03104	3.1
116.06244	2.4
116.98624	29.6
117.03873	3.6
117.07033	14.8
118.08656	7.5
119.01821	11.3
119.03631	2.5
119.04912	3.4
119.08572	11.6
121.01585	1.9
121.06525	6.7
121.10101	3.7
123.08056	3.3
125.03587	3.4
127.03903	5.3
128.02322	7.1
128.06227	15.8
128.98593	8.7
129.02228	2.6
129.07007	8.0
130.04993	1.9
130.07756	4.1
130.08659	2.9
131.00139	4.4
131.04970	3.2
131.08557	25.1
132.10176	3.3
133.01756	2.4
133.04967	2.0
133.06468	3.8
133.10133	6.5
134.99657	17.5
135.04366	3.1
135.08051	3.0
135.11720	3.5
137.02927	2.4
137.05966	2.8
139.00690	2.8
140.00269	2.4
141.06966	5.1
141.10239	3.2
142.07777	8.3
143.08571	31.6
144.09346	4.9
144.98010	3.7
145.01680	4.1
145.04956	2.8
145.06474	9.3
145.10155	14.6
146.04112	12.3
146.99620	7.9
147.03252	11.8
147.04396	5.8
147.08038	7.8
147.11725	3.0
149.01256	4.4
150.05472	3.6
153.07010	5.7
155.04655	100.0
155.08531	10.0
155.54817	12.9
157.01685	2.3
157.10126	14.4
158.99667	16.4
159.04453	3.5
159.08095	17.7
159.11681	17.4
161.01196	6.3
161.04712	9.2
161.05843	2.6
161.09575	5.4
161.54831	3.1
162.99107	4.3
163.02705	4.4
163.03952	6.9
163.07574	3.2
164.05176	72.0
164.55441	10.5
165.00719	4.7
165.04346	13.7
166.55449	22.6
167.05579	2.1
167.08391	2.3
168.09354	12.3
169.10156	5.4
170.99677	3.4
171.08029	7.4
172.08818	2.7
172.55534	2.6
173.01213	7.3
173.06018	7.1
173.09610	5.1
173.13223	7.8
174.99147	3.9
175.02687	3.5
175.03949	24.4
175.07436	2.3
175.11121	3.5
175.56006	4.5
177.00719	21.3
177.09131	3.3
179.03638	2.2
180.03680	3.5
183.11691	29.7
185.01227	5.7
185.09666	3.1
185.13354	3.2
187.02577	3.4
187.07605	11.7
187.11168	41.0
189.00693	3.7
189.04330	4.2
189.09114	25.5
191.02290	2.4
193.00189	3.3
195.01701	3.1
196.08868	3.7
199.11116	2.5
201.00693	11.8
201.04153	2.5
201.12721	50.0
202.06682	4.6
203.02260	6.7
205.03770	4.3
205.12309	4.1
207.01724	2.9
208.04980	19.8
211.11201	11.0
215.02167	2.5
216.06505	13.7
216.56618	2.3
219.01752	11.7
219.13805	4.9
221.03304	2.2
222.04675	4.0
223.01286	6.7
225.07077	3.0
228.56253	3.8
229.08636	5.8
229.12228	85.6
231.05144	3.2
237.02831	4.6
241.02284	2.7
247.01282	9.8
247.04449	4.0
247.07159	1.9
247.09723	8.0
247.13263	45.9
247.24290	2.7
265.02307	8.3
265.05542	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	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
54.22095	0.8
55.01865	1.8
55.05510	10.2
56.96563	100.0
57.03423	2.3
57.07062	1.0
59.04986	1.1
61.02922	2.2
62.23590	0.8
67.05493	1.9
69.03432	4.1
69.07052	1.4
70.06582	2.6
70.98119	15.2
71.04985	2.9
71.55247	2.1
71.95250	1.1
72.08150	3.0
73.02901	2.0
73.06558	11.7
74.97599	5.3
79.05479	1.8
81.03417	1.8
81.07054	4.9
83.04990	2.0
84.04493	1.5
84.08141	2.6
84.96021	6.1
85.02894	4.3
86.09698	2.8
86.97570	1.0
87.04430	1.2
88.03992	1.8
88.99164	11.0
91.05482	4.9
92.98631	1.0
93.07040	4.1
95.04966	1.7
95.08624	1.3
97.02898	6.0
97.06548	1.0
97.96774	0.9
97.99152	0.9
98.97581	25.4
99.04454	0.8
100.99135	6.3
103.05453	1.3
105.07013	5.1
107.00185	3.5
107.08601	2.0
109.02883	1.4
109.06518	2.1
109.90244	0.9
110.97569	4.8
111.04475	0.9
112.99129	0.9
115.03922	1.9
115.05465	1.5
115.18129	0.8
116.03153	0.9
116.98626	16.7
117.03877	1.1
117.07014	3.6
119.00183	7.6
119.01854	2.9
119.08610	1.8
121.06533	1.1
123.08075	1.2
125.53832	0.8
126.97045	1.2
127.00636	0.8
127.03909	2.3
128.02330	1.9
128.06239	3.5
128.98595	9.3
129.02231	1.2
129.06999	2.9
130.96507	1.1
131.00150	2.2
131.08562	6.6
132.10150	1.1
133.01744	3.8
133.06485	1.3
133.10158	1.8
134.99652	8.7
135.04440	0.9
137.01247	1.3
137.02882	1.3
141.06975	1.4
142.07768	2.2
143.00165	1.6
143.08539	10.6
144.98080	13.3
145.01678	1.9
145.06461	2.1
145.10136	3.7
146.04149	3.7
146.99657	16.4
147.03308	5.0
147.04393	1.3
147.08061	1.2
147.11659	1.1
148.97604	3.0
149.01263	2.0
149.06027	1.1
153.00717	1.5
155.00232	1.0
155.04649	60.1
155.08531	2.8
155.54817	3.6
157.01608	1.1
157.10164	3.1
158.99644	9.1
159.03238	2.2
159.08040	3.9
159.11688	3.6
161.01205	4.9
161.09537	1.3
162.99135	26.0
163.02757	2.0
164.05186	31.8
164.55397	3.8
165.00723	19.5
165.04324	4.6
166.55441	10.6
166.98613	1.8
167.05655	1.4
168.09354	3.1
169.10110	1.4
170.05214	1.0
170.99670	1.9
171.03081	1.6
171.08060	2.4
172.08746	1.0
173.01222	2.2
173.05927	1.8
173.13229	2.9
174.99158	1.8
175.04016	4.0
175.11188	1.2
175.55971	2.7
176.00003	0.9
177.00722	10.0
177.04343	3.0
179.02290	1.6
180.03696	1.3
181.00198	10.3
182.99602	1.5
183.01907	3.8
183.11687	9.9
185.01251	2.4
185.09659	0.9
185.13232	0.8
186.00670	0.9
186.99239	1.9
187.07523	3.3
187.11169	12.9
188.02303	1.1
189.00694	1.8
189.04239	1.4
189.09082	8.4
193.00264	1.8
199.01297	2.1
199.19307	0.9
201.00719	3.1
201.06187	1.0
201.12730	13.1
202.06787	1.6
203.02286	2.8
203.10835	1.3
205.00200	27.3
205.03777	1.0
207.01767	1.1
208.04938	10.8
208.55057	1.6
209.05775	1.4
211.11206	1.9
216.06519	5.4
217.05537	1.8
219.01727	4.1
219.13980	1.3
221.03270	2.2
223.01248	57.8
223.04898	3.1
228.01776	2.8
228.56114	1.0
229.12239	19.0
231.05226	1.4
237.02815	2.5
241.02333	7.3
246.02852	3.2
247.01028	4.0
247.04683	1.3
247.09650	2.0
247.13258	13.4
265.02380	2.4
265.05933	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	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05497	3.7
55.44622	1.3
56.05028	2.0
56.96564	100.0
57.03445	6.9
58.06585	1.7
58.96165	1.5
58.99871	1.5
60.95843	2.0
61.02923	8.2
67.05502	2.7
69.03423	8.4
69.07052	2.1
70.02957	1.2
70.06588	12.3
70.16120	5.9
70.98122	19.8
71.01331	2.6
71.04990	3.7
71.95274	2.1
72.07474	1.3
72.08163	6.2
73.02914	7.2
74.06082	2.7
74.97611	3.9
77.12217	1.3
81.03419	3.6
81.07047	1.8
82.99883	1.3
83.04970	2.2
84.04518	3.8
84.08145	7.0
84.96041	10.5
85.02904	10.3
85.06580	1.3
85.08474	1.7
86.06050	3.3
86.09708	21.3
87.10046	2.6
88.99152	14.2
91.05489	3.0
93.07037	2.2
97.02363	1.5
97.02892	7.5
97.96804	6.0
98.01350	1.1
98.97582	57.6
99.04475	1.5
100.99158	2.7
101.00880	18.7
102.96964	2.0
103.00595	2.3
103.02408	1.7
105.07047	2.2
107.00180	4.4
109.02895	1.4
109.06510	1.3
110.97553	11.7
111.02997	1.8
111.04464	1.3
112.05091	1.8
112.99117	8.3
113.00868	2.3
113.03489	4.0
114.03831	1.9
114.05514	3.4
114.06783	1.2
115.02420	7.4
115.97832	4.3
116.98619	34.9
117.03931	1.6
117.07016	1.6
119.00195	2.1
119.01916	64.5
120.02055	1.5
120.08184	1.4
120.97921	1.7
121.01643	5.7
121.03463	1.4
122.79936	1.3
124.95454	1.5
126.05525	1.4
127.03933	4.7
128.07121	1.3
128.98602	23.1
129.03949	2.9
129.10289	1.3
130.09732	2.0
130.12282	2.4
131.00194	16.9
131.01897	11.9
131.08559	2.5
133.00737	1.7
133.01674	2.8
133.03468	19.1
133.05055	2.4
133.06126	1.6
133.98845	1.7
134.99661	18.6
135.03235	2.1
137.02930	13.3
139.00758	1.6
140.00278	1.5
140.98621	1.9
141.01315	1.5
142.03563	1.9
142.08633	1.4
142.96526	2.3
143.00136	4.7
143.01883	7.7
143.08553	3.9
144.98071	3.8
144.99846	3.2
145.01764	4.9
145.03470	6.4
145.06563	1.8
146.99640	32.1
147.01376	2.3
147.03271	2.7
147.05026	5.0
149.01189	14.5
149.02956	3.3
150.01784	2.4
151.04500	4.9
152.98611	3.0
153.00665	1.9
155.00140	1.5
155.01822	3.4
155.02982	1.3
155.04619	1.3
156.98128	2.1
157.01753	3.9
157.03477	6.6
158.01231	1.4
158.99588	8.6
159.03276	3.0
159.05019	3.0
160.00424	1.6
160.97543	3.5
161.01332	8.3
161.02954	17.7
162.97202	1.3
162.99167	6.1
163.02766	8.6
163.04431	3.4
165.00722	31.4
167.02289	2.6
168.99844	3.6
169.01741	1.8
170.99710	2.8
171.01411	2.1
171.05052	2.5
172.99706	1.5
173.01241	7.0
173.02989	9.9
173.04462	1.8
174.08687	7.0
174.99194	7.0
175.02776	7.2
175.04521	9.4
176.03587	1.6
177.00720	15.1
177.04338	4.2
178.04939	7.5
179.02296	4.8
180.04749	1.8
181.00214	2.4
183.01775	3.6
183.11682	3.7
184.04524	1.2
185.01294	2.7
185.02974	4.6
186.99216	2.0
187.00854	11.2
187.02757	5.4
187.04549	4.3
187.11145	2.9
188.97144	1.7
189.00722	4.3
189.06017	1.9
189.09146	3.8
190.98686	3.4
191.02278	6.4
191.04036	5.3
193.00238	7.3
195.01715	2.7
196.99380	2.2
197.03281	2.8
199.04497	2.5
201.00723	4.1
201.02522	3.5
201.12755	4.4
203.02191	1.9
205.00218	10.7
205.01921	4.9
205.03874	5.6
205.05611	5.0
207.01785	2.7
211.04858	1.6
211.11081	1.5
214.98521	1.9
215.00403	17.7
216.99971	1.6
217.03751	1.7
219.01758	7.0
219.07205	2.7
221.05112	2.2
223.01283	20.1
223.04893	5.3
224.02483	2.9
229.03337	4.0
229.12209	9.2
232.99599	1.9
233.01553	2.1
237.02832	11.4
241.02322	1.5
247.01021	3.1
247.04501	14.2
247.06752	15.8
247.13533	4.7
265.01993	1.6
265.03525	1.3
265.05981	15.3
267.70529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.05952	0.2
53.94350	0.2
55.01868	0.4
55.05510	0.4
56.96547	0.3
58.06574	0.2
59.20421	0.2
61.10579	0.2
69.03422	0.6
69.07072	0.6
70.06605	0.3
71.64162	0.3
81.03413	0.3
81.07063	0.5
83.04983	0.5
84.08173	0.4
86.09703	100.0
87.10045	0.3
91.05465	0.7
93.07051	0.3
96.42088	0.2
97.02898	0.4
98.97557	0.4
105.07027	0.7
107.04943	0.4
109.06528	0.3
117.07028	0.3
119.04929	0.3
119.08582	0.3
128.06218	0.4
129.07022	0.7
131.08580	0.5
132.10196	3.6
141.06989	0.6
142.03212	0.3
142.07777	0.9
143.08511	1.3
145.06459	0.5
145.10123	0.6
147.08020	0.3
153.06996	0.3
154.20517	0.2
155.08574	0.5
156.09383	1.1
157.06516	0.3
157.10133	1.4
158.10744	0.4
159.08073	0.5
159.11676	0.3
161.05980	0.3
161.09630	0.3
165.07007	0.3
166.07726	0.5
169.06577	0.6
171.08060	0.4
171.11687	1.6
173.04732	0.3
173.09589	0.4
175.07574	0.4
181.10159	1.1
184.08867	0.6
185.09636	0.8
199.11166	3.6
199.17995	1.6
203.07091	0.5
203.10696	0.2
209.09628	0.3
215.10725	0.4
217.08723	0.3
217.12289	0.7
227.10594	1.7
228.12299	0.3
245.04691	0.3
245.08167	0.6
245.11722	4.9
245.15254	0.6
245.18661	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	245.1859
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
53.26838	0.2
55.05502	0.5
56.05023	0.3
56.96551	0.3
57.05812	0.5
58.06590	0.4
62.95649	0.2
63.26014	0.2
63.31335	0.2
67.05502	0.5
69.03434	0.3
69.07065	10.8
70.06590	0.6
70.76426	0.5
72.08130	0.3
79.05496	0.2
81.07040	0.6
84.08157	0.4
86.09701	100.0
87.10035	0.7
91.05473	0.6
93.07053	0.5
95.04958	0.4
95.08595	0.6
98.97581	0.8
105.07041	0.5
107.08593	0.3
109.06521	0.3
109.59414	0.2
116.98637	0.4
117.06957	0.2
119.08580	0.5
123.08116	0.2
128.06215	0.3
129.06992	0.9
129.10233	0.4
131.08589	0.5
132.10201	1.7
134.99646	0.4
135.08092	0.2
141.07022	0.3
142.07709	0.3
143.08577	0.6
143.28348	0.2
145.06462	0.3
145.10056	0.4
155.08536	0.3
157.06482	0.3
157.10129	0.5
159.08049	0.4
166.07709	0.3
168.09456	0.2
171.03275	0.3
171.07957	0.3
171.11694	0.5
181.10172	0.4
185.09662	0.5
185.13293	0.3
189.04385	0.6
192.77501	0.3
199.07576	0.3
199.11110	1.2
199.18007	0.6
217.08676	0.3
227.10742	0.8
245.04649	0.3
245.08131	0.6
245.11623	1.8
245.15756	0.4
245.18593	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	244.206
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
53.23160	0.4
55.05487	1.0
56.80010	0.4
58.06572	0.7
62.06065	0.6
67.05485	1.7
67.61219	0.5
69.07027	0.9
70.06565	0.4
71.64222	0.5
71.64640	0.9
79.05467	1.8
81.07059	2.7
82.06566	0.6
84.08147	0.5
91.05493	2.0
93.07024	2.1
94.06564	2.8
95.08600	3.1
96.08111	0.8
105.07014	3.2
107.08581	3.3
108.08115	3.6
109.10144	0.9
110.09666	0.6
117.06989	0.7
119.08566	2.5
120.08055	1.1
121.08864	1.1
121.10130	1.7
122.09695	3.1
123.11633	0.7
128.06215	0.6
129.06973	0.8
131.08546	1.7
133.10146	1.4
134.09634	5.3
135.11644	0.6
143.08591	0.5
145.10112	2.2
147.11670	1.8
148.11156	1.2
156.09196	0.5
157.10144	1.0
159.11696	1.2
161.13275	0.8
170.10585	0.5
171.11626	1.0
173.13234	0.6
176.14334	0.5
187.07523	0.7
187.14827	0.9
199.11192	0.9
201.16335	1.2
202.15790	0.6
203.18016	0.8
213.10974	0.4
227.10764	1.0
244.20598	100.0
245.11681	2.2
245.20946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01852	0.9
55.05516	1.8
56.01318	0.5
56.05013	0.9
56.96563	100.0
57.03433	2.1
59.04998	0.6
60.04509	1.0
60.95842	0.9
61.02928	1.9
61.17201	0.6
66.77379	0.6
67.05505	0.7
68.05028	1.3
69.03437	3.0
69.07076	2.0
69.81281	3.1
70.06596	5.6
70.98129	4.8
71.04992	2.0
71.87472	0.6
71.95259	7.1
72.08151	5.9
72.96047	3.1
73.02920	2.6
74.06072	0.9
74.97605	2.9
79.05483	1.4
81.03413	1.9
81.07052	1.3
82.06584	1.3
83.05003	0.8
83.06118	0.8
84.04488	3.0
84.08138	13.9
84.96021	4.3
85.02907	4.4
85.08485	0.8
86.06077	4.7
86.09697	12.4
87.04483	1.4
87.05601	0.8
87.10045	0.8
88.04028	0.8
88.98705	0.6
88.99159	3.7
89.00842	0.7
91.05502	1.8
93.07037	1.1
94.06598	0.7
95.04978	1.4
95.08616	1.0
97.02896	4.9
97.06538	0.7
97.99197	0.9
98.06090	0.9
98.09749	0.7
98.97578	23.5
99.04475	0.7
101.00863	3.1
101.10780	0.7
102.05547	0.8
102.97010	1.0
105.00388	0.7
105.07060	2.1
106.51031	0.6
107.00219	1.1
110.97590	2.7
111.04439	1.1
112.05132	1.4
112.07574	0.7
112.08749	0.8
112.99155	1.6
113.03510	3.0
113.04630	4.3
113.05367	0.9
114.05518	0.6
115.02474	0.9
116.07104	0.9
116.98617	23.3
119.01917	22.0
119.04932	0.9
120.97923	0.8
121.01682	1.1
123.04466	1.0
124.95478	1.6
127.03918	1.2
127.08778	0.6
128.06223	0.7
128.98599	6.1
129.10246	4.3
130.08687	2.0
131.00215	3.7
131.01897	5.3
131.99702	1.0
132.06555	8.5
133.01752	2.6
133.03481	2.5
134.99658	24.0
135.00658	1.4
137.02950	6.8
137.05978	3.7
139.00633	1.4
139.08656	1.0
140.00151	0.8
142.03499	0.8
142.96545	4.0
143.00182	2.5
143.01875	3.3
144.98114	0.9
145.01704	1.6
145.03468	5.6
146.99649	8.4
147.01448	0.9
147.03244	1.6
149.01215	3.2
149.02975	1.1
150.00812	2.4
153.00716	4.6
153.05507	1.0
155.01950	3.2
156.98055	0.8
157.01732	4.5
157.03465	5.3
158.01303	2.4
158.99643	3.2
159.03354	2.1
159.05060	1.7
160.97577	7.1
161.01273	4.8
161.02995	15.8
162.99194	1.7
163.02759	1.8
163.04529	1.9
164.02313	1.3
165.00711	3.3
165.05678	0.7
169.03490	1.4
170.96053	1.7
171.05042	0.9
173.01285	6.4
173.02998	5.4
174.99226	4.6
175.02803	27.3
175.04529	4.0
175.11974	0.8
177.00761	4.3
177.02229	0.8
177.06065	0.9
178.98665	1.6
179.02269	1.4
179.03908	1.2
182.99695	1.2
183.03357	0.9
184.04672	1.4
184.97638	1.8
185.01334	1.3
185.02928	6.8
185.04466	1.0
186.99089	0.8
187.04541	2.4
188.97061	17.9
188.98672	1.1
189.00731	2.8
190.95407	1.3
190.98634	3.1
191.02344	2.4
191.04034	1.0
193.00198	11.7
193.03847	16.4
193.05444	1.1
195.01860	0.7
197.02901	3.1
198.00932	1.1
198.04391	1.6
199.04573	2.1
201.00684	7.1
201.04396	4.1
201.06084	1.2
201.16068	2.0
202.98634	6.6
203.02309	6.6
203.04089	7.1
205.00201	1.4
205.05571	0.8
206.98123	15.6
206.99922	1.0
207.01796	0.8
208.99738	1.7
211.01224	1.1
211.98718	1.7
215.04071	1.4
216.05516	0.8
217.03761	1.2
217.05627	1.6
217.08925	0.7
219.01759	11.6
219.05241	0.9
220.99757	5.9
221.03293	2.1
221.05200	3.7
222.02110	0.7
224.02304	1.0
224.99214	1.8
227.02287	1.5
229.99792	0.8
230.98163	1.3
232.99666	0.8
236.06355	1.3
237.02846	2.9
239.00711	1.1
242.03508	0.9
244.99753	3.8
245.05023	18.1
245.12239	2.6
245.15108	5.8
245.18863	0.8
245.56845	1.0
248.99260	0.7
263.00711	20.0
263.03506	1.1
263.06381	3.2
268.01443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2059
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
53.03912	0.4
55.05490	1.3
57.07070	0.7
58.06595	1.9
67.05490	2.2
69.07059	1.9
71.15453	1.3
79.05492	1.9
81.07052	5.1
83.08611	1.1
84.08131	1.7
91.05489	2.7
93.07043	4.9
93.91833	0.4
94.06538	0.8
95.08607	6.1
96.08130	2.3
105.07039	5.9
107.07351	0.9
107.08591	5.8
108.08118	3.2
109.10155	4.1
110.09657	0.9
117.07034	1.0
119.07813	0.5
119.08594	6.2
121.08821	0.6
121.10184	2.2
122.09702	2.3
123.11735	0.6
129.06952	0.5
131.08562	4.7
133.10106	2.3
135.11711	1.1
136.11243	1.1
142.07779	0.8
143.08559	3.2
145.09016	0.9
145.10124	9.8
145.11275	0.6
147.11665	5.2
148.11201	2.7
150.12735	0.7
156.09337	2.2
157.10107	5.7
159.11684	2.9
160.11217	0.5
161.13255	1.7
162.12698	0.5
171.11690	18.2
172.12466	0.8
173.13220	1.4
185.13235	3.2
187.13155	0.8
187.14821	12.9
195.40134	0.5
199.11147	0.6
199.14751	0.5
203.17953	3.8
216.10410	0.5
218.72006	0.4
227.17940	11.1
242.19083	0.5
244.09798	1.3
244.20607	100.0
245.11771	1.4
245.18770	0.6
245.20970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01867	1.3
55.05500	0.9
56.05029	0.6
56.96563	22.2
57.03432	5.8
58.85041	0.6
58.96184	0.5
58.99862	0.7
61.02925	8.4
67.36556	0.5
69.03138	0.6
69.03436	7.8
69.04554	1.3
69.07042	0.6
69.44754	5.8
70.06587	5.0
70.98097	1.5
71.01348	0.8
71.04970	3.5
71.95245	0.9
72.08133	2.0
73.02922	5.5
77.00860	0.7
81.03416	4.1
81.07054	0.7
83.04987	0.8
84.04488	1.6
84.08134	7.5
84.96042	1.9
85.02898	13.6
86.09702	2.3
87.04477	3.1
89.00803	0.8
90.01546	0.8
91.02337	2.2
91.03947	1.2
92.01278	0.7
95.02445	2.7
95.04961	0.7
97.02296	0.9
97.02888	11.4
97.96808	0.6
98.97581	13.1
99.04417	2.0
100.02839	1.7
100.99136	3.5
101.00868	4.0
101.10771	0.8
103.02398	1.0
105.02074	0.9
106.02802	0.9
109.02877	2.0
110.01284	1.5
110.97563	2.1
112.05084	100.0
112.99124	4.4
113.00829	1.0
113.03506	1.3
113.05388	0.8
115.02421	1.6
115.03969	0.8
116.07079	0.9
116.98615	6.5
118.01063	0.6
118.02850	2.4
119.00173	1.8
119.01897	13.1
122.06156	0.5
123.05532	0.7
124.02843	1.6
124.62931	0.6
125.01821	1.0
125.03611	1.3
126.33857	0.6
127.00701	0.7
127.04043	3.2
128.98604	2.5
129.10233	1.5
130.08609	0.6
131.00171	5.9
131.01884	4.8
132.02658	1.0
133.01704	1.0
133.03429	4.9
134.99643	4.1
135.03108	0.8
137.02951	1.4
139.02374	0.7
139.03304	0.7
140.02249	1.1
140.07120	0.9
141.01306	1.1
141.03079	3.1
141.04010	0.8
142.96515	1.5
143.00154	1.4
143.01895	1.8
143.02856	0.8
145.01701	3.6
145.03436	4.4
145.04994	0.6
146.99652	2.6
147.03159	1.5
148.03882	1.4
149.01245	5.1
149.02878	2.5
150.01772	4.0
150.03578	1.4
151.04480	0.7
154.03828	6.2
155.00099	0.8
155.01871	3.9
156.03577	2.0
157.03505	3.6
158.99628	3.0
160.97557	1.4
161.01263	1.3
161.02963	4.5
162.03535	0.9
162.05406	0.9
162.99084	0.8
163.02832	6.7
163.04419	26.4
163.07132	2.0
163.54576	1.8
164.05196	0.7
165.00723	1.0
166.06157	1.0
167.02121	0.9
169.04445	5.7
170.95963	0.8
170.99663	1.3
171.05003	1.6
172.05025	0.8
173.01465	1.0
173.02974	5.5
174.55151	3.6
174.99069	0.8
175.02872	0.8
175.04503	1.8
176.03450	1.0
177.00726	2.1
178.04916	18.3
178.55101	2.3
179.02005	0.9
181.03778	3.8
182.03227	0.9
184.04823	0.7
185.02869	5.1
186.04510	1.4
188.97118	2.6
189.00647	1.5
189.55768	3.6
191.02200	1.6
191.03931	1.7
193.00235	1.8
193.03900	0.9
197.02905	0.9
200.04465	0.8
201.00706	1.3
201.04492	0.7
202.98666	1.4
203.02296	0.7
203.03940	3.4
205.00290	0.7
205.03847	1.7
205.05621	1.0
206.98100	3.0
207.01790	1.2
215.03966	0.9
219.01785	1.4
220.99776	1.0
221.03244	1.3
221.05043	4.8
226.05832	1.0
230.98369	0.7
233.08543	0.7
235.04501	1.0
235.06670	4.1
235.56752	0.8
237.02922	1.7
239.06111	5.4
243.58267	0.8
244.07007	7.0
244.09431	1.7
244.16754	0.7
244.57329	1.3
245.05208	2.8
245.07547	0.6
262.07953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.093
Annotation	Cytosine arabinoside
Peak:m/z	Relative Intensity
55.01877	0.8
55.05502	0.8
56.96287	0.6
56.96564	12.2
57.03428	3.7
59.04982	0.5
61.02925	6.3
69.03441	3.1
69.04543	1.0
69.07010	0.4
70.06588	1.8
70.49828	1.5
70.78148	0.4
70.98125	1.0
71.04977	1.6
71.91825	0.4
71.95254	0.9
72.08142	0.7
73.02904	2.3
74.97620	0.6
77.00880	0.4
79.05484	0.5
81.03408	1.8
83.04990	0.8
84.04492	1.3
84.08138	4.1
84.96028	1.3
85.02893	5.6
86.09687	0.9
87.04450	0.8
88.99149	0.7
89.03934	0.5
90.01579	0.4
91.02348	0.6
91.03951	0.4
91.05443	0.4
91.94577	0.4
95.01932	0.6
95.02441	3.0
95.04989	0.5
97.02891	4.4
98.01272	0.4
98.97578	6.5
99.04492	0.9
100.99136	0.8
101.00861	1.1
104.01284	0.8
106.02829	0.4
109.02892	0.6
110.01289	0.6
110.97569	0.6
112.05086	100.0
112.99100	2.4
113.03493	0.6
113.05460	0.7
116.03078	0.5
116.98621	4.1
117.02011	0.7
118.01046	0.4
118.02814	1.0
119.00189	0.9
119.01883	5.1
120.00761	0.6
121.01743	0.6
124.02805	0.6
124.95483	0.8
125.03634	0.9
125.92022	0.4
127.03923	1.5
128.02371	0.5
128.98590	1.6
131.00194	3.8
131.01872	1.9
132.00745	0.7
133.03426	1.7
133.04999	0.4
133.53523	0.5
134.99649	2.0
140.02353	0.5
140.07053	0.4
141.01286	1.7
141.03102	1.0
142.03764	0.4
142.96509	1.0
143.01875	0.5
145.01724	1.7
145.03461	1.4
145.04900	0.4
146.99635	1.5
147.03090	0.5
149.01204	3.1
150.01793	4.6
150.03587	0.8
152.02319	0.5
154.03828	2.1
155.01898	1.1
157.03470	1.6
158.99652	1.1
159.02344	1.0
159.05029	0.7
160.97571	0.4
161.01151	0.6
161.02922	1.3
163.02777	3.5
163.04378	10.7
163.07140	0.6
163.54594	1.1
165.00723	0.9
169.04419	2.8
169.54703	0.7
170.01469	0.5
170.96130	0.5
172.04964	0.4
173.01384	0.7
173.02953	2.0
174.55203	1.1
174.99132	1.1
175.00711	0.8
175.02800	0.6
175.04416	0.9
177.00722	1.1
178.04919	10.0
178.55093	1.3
181.03822	1.8
182.01579	0.4
184.01257	0.5
185.02969	1.3
187.04575	0.7
188.97089	3.6
189.00720	1.0
189.55768	1.1
191.02177	1.0
191.03867	0.8
191.54013	0.6
193.00233	1.2
193.03899	0.9
196.04550	0.5
201.00650	0.4
202.98665	0.9
203.04027	1.2
205.00146	0.8
205.01892	0.9
205.03764	0.8
205.51917	0.4
206.98106	2.4
208.31007	0.4
219.01701	0.9
220.99707	1.1
221.05058	1.9
235.06644	1.8
237.02774	0.5
239.06133	1.6
244.06935	3.0
244.09465	1.2
244.11816	0.5
244.16472	0.6
245.05144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05878	0.5
53.03931	0.5
55.01874	0.7
55.05512	0.6
56.96300	0.8
56.96567	13.4
57.03447	3.3
59.04990	0.6
61.02930	5.7
63.09565	0.4
67.05501	0.5
69.03134	0.5
69.03432	5.0
69.04539	1.0
70.06598	2.3
70.98104	0.7
71.04984	1.8
71.61240	0.6
71.95244	0.5
72.08161	0.8
73.02923	3.4
75.04452	0.5
77.00876	0.6
81.03419	2.5
82.55881	0.5
83.04983	0.7
84.04518	0.8
84.08154	4.8
84.96040	1.2
85.02910	7.7
86.09698	1.0
87.04490	2.0
88.99177	0.5
91.02353	1.0
91.03935	0.6
94.04114	0.5
95.02462	2.6
95.05014	0.6
97.02306	0.6
97.02886	6.6
98.01327	0.6
98.03269	0.5
98.97587	7.2
99.04477	1.0
100.02860	0.6
100.99162	1.5
101.00880	2.2
102.96898	0.8
103.02342	0.8
104.01299	0.7
106.02834	0.9
107.02509	0.4
109.02268	0.5
109.02923	1.1
110.03091	0.6
110.97585	1.4
111.02096	0.6
112.05093	100.0
112.99150	2.9
113.00892	0.6
113.03487	0.8
113.05466	0.7
115.02434	0.5
115.03931	0.4
115.97774	0.6
116.03094	0.8
116.07129	0.5
116.98627	4.3
117.02049	0.8
118.01054	0.8
118.02816	1.7
119.00198	1.2
119.01915	6.2
119.03573	0.4
121.03406	0.4
123.05590	0.5
124.02882	0.5
124.95502	0.7
125.03645	0.7
126.02570	1.0
127.00666	0.8
127.02470	0.5
127.04003	2.3
127.04895	0.4
128.02391	0.5
128.98642	1.4
129.10252	0.6
130.04974	0.4
131.00186	4.2
131.01869	2.6
131.03569	0.6
133.03406	2.8
133.05190	0.4
134.73065	0.4
134.99670	2.2
135.03157	1.0
137.03024	1.0
139.02390	0.5
140.02325	1.1
141.01334	0.9
141.03075	2.0
142.03813	0.5
142.96565	0.7
143.00146	0.6
143.01897	1.3
143.02896	0.5
145.01692	2.3
145.03452	2.1
145.04973	0.8
146.99663	1.3
147.03114	0.7
147.05052	0.4
147.11440	0.5
149.01228	3.1
149.02805	1.0
150.01797	2.7
150.03624	1.2
151.04601	0.6
154.03844	5.0
154.54005	0.8
155.01866	2.0
156.03647	0.6
157.03473	2.1
158.99628	1.2
159.05032	0.8
160.97618	0.8
161.01224	1.3
161.02979	2.0
163.02805	5.5
163.04425	17.7
163.07146	1.0
163.54617	1.8
165.00793	0.7
167.02043	0.9
169.04453	3.3
170.99728	0.5
171.04979	1.0
172.05023	0.7
173.01399	0.7
173.02901	4.0
174.55215	1.4
174.99255	0.6
175.02768	1.0
175.04404	0.7
177.00723	1.6
178.04932	13.3
178.55086	1.9
181.03839	1.6
184.04860	0.5
185.03006	1.8
188.97102	2.1
189.00681	1.1
189.55730	1.5
190.98796	0.6
191.03996	0.7
192.06451	0.5
193.00206	1.0
193.03833	0.8
195.02008	0.5
197.03152	0.8
198.13211	0.5
199.05540	0.7
201.00845	0.7
203.04008	1.9
205.03799	1.1
205.05565	0.6
206.98215	0.9
211.04890	0.5
214.02290	0.5
219.01755	1.3
219.07195	0.5
221.05032	3.0
226.05592	0.5
235.06546	2.7
237.02795	1.3
239.06210	2.2
244.06993	3.7
244.09537	1.4
244.16490	0.5
244.57109	0.7
245.05058	1.0
262.07819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01862	3.2
55.05518	1.3
56.96564	36.5
56.96849	1.9
57.03437	9.0
58.99857	1.4
59.05000	1.2
61.02925	13.6
69.03086	1.0
69.03432	15.1
69.04520	1.4
70.06589	5.2
70.98108	1.7
71.01363	1.3
71.04993	6.5
71.61080	0.8
71.61471	0.8
71.95261	2.1
72.08139	2.3
73.02914	10.0
74.97622	0.9
75.04500	1.4
77.00892	2.3
77.75031	0.8
81.03417	7.2
83.01311	0.9
83.04993	1.6
84.01571	0.8
84.04489	2.4
84.08144	12.2
84.96041	2.9
85.02904	22.2
86.03243	1.2
86.09697	2.8
87.00819	0.7
87.04476	4.8
88.99188	0.7
89.00816	1.3
90.01548	1.2
91.02346	4.4
91.03948	1.6
91.05476	0.8
95.02464	2.7
95.04931	1.0
96.01512	1.6
97.02355	1.3
97.02892	20.1
97.96806	1.6
98.01294	1.5
98.03592	1.0
98.96941	1.1
98.97582	19.6
99.04465	3.3
100.02869	3.3
100.99164	6.3
101.00872	5.8
101.52348	0.8
102.96930	0.8
103.02374	1.9
104.01310	1.5
106.02830	2.5
109.02238	1.7
109.02909	4.2
110.01275	1.3
110.03123	1.8
110.97559	3.8
112.02849	2.3
112.05090	100.0
112.99132	7.1
113.00864	2.7
113.03445	1.1
115.02428	1.5
115.03282	1.4
116.03131	1.9
116.07107	2.1
116.98624	13.1
117.00453	0.7
117.02062	1.3
118.01119	1.2
118.02823	4.1
119.00179	2.4
119.01908	21.9
121.01624	1.2
123.04567	0.7
123.05561	1.8
124.02818	3.1
125.03619	3.2
126.02592	1.4
127.00685	1.8
127.03998	5.3
128.02313	2.1
128.98593	5.3
129.03958	1.3
129.10248	1.9
130.52609	0.9
131.00180	9.2
131.01901	8.9
131.03540	0.9
133.01759	1.0
133.03433	6.8
134.99637	3.9
135.03104	2.0
137.02936	2.5
140.02335	3.3
140.07056	0.8
140.98555	1.0
141.01273	1.4
141.03088	2.8
142.03601	0.8
142.96552	2.1
143.00163	2.1
143.01897	2.5
143.02885	1.5
145.01697	4.9
145.03468	8.0
145.04921	1.5
146.02284	1.1
146.99635	5.0
147.03116	1.7
147.05045	1.5
149.01247	6.7
149.02869	4.1
150.01796	4.3
150.03615	2.3
151.04494	1.3
154.03827	13.0
154.53949	1.1
155.00182	1.1
155.01900	6.6
156.03609	2.9
157.01654	1.3
157.03468	7.4
157.04439	0.8
158.99681	5.2
159.00868	0.8
159.04971	1.0
160.02193	1.0
160.97581	1.8
161.01279	2.2
161.02982	6.5
162.06287	0.9
162.99168	0.9
163.02817	17.1
163.04419	52.3
163.07127	4.4
163.54544	4.8
164.03294	1.0
165.00693	2.4
166.06157	1.3
167.02094	2.4
169.04436	6.4
170.99661	1.2
171.01599	0.8
171.05040	2.3
172.04892	1.6
173.01297	2.5
173.02940	13.1
174.55197	6.9
174.99203	1.9
175.02939	1.7
175.04518	3.7
176.06059	1.7
177.00711	4.4
177.02159	1.0
178.04932	29.3
178.55116	3.4
180.01736	0.7
181.03796	6.0
182.03294	1.0
183.02165	0.8
184.01334	1.2
184.07237	1.1
185.02888	7.7
185.05583	0.7
186.04463	2.4
187.04475	1.8
188.97121	4.1
189.00713	2.3
189.55733	4.8
190.05925	1.1
191.02226	2.4
191.03928	2.2
193.00168	2.6
193.01881	0.8
193.03886	2.5
196.04550	0.9
197.03021	1.9
198.02878	1.3
198.04555	1.0
198.55003	0.8
199.05479	2.7
201.00716	2.0
202.98758	1.3
203.02257	1.6
203.04054	6.0
205.03845	4.4
205.05566	1.4
206.98148	2.8
207.01816	1.1
211.05043	1.2
213.68178	0.8
214.06026	1.6
217.03777	0.8
219.01794	3.1
219.07191	1.0
220.02150	1.1
220.99771	1.3
221.03253	1.2
221.05104	11.8
221.07071	1.1
226.05916	1.2
227.04138	1.2
228.05716	1.2
235.04716	1.8
235.06567	7.1
235.08850	1.3
235.56773	0.8
237.02826	2.7
239.02367	1.0
239.06110	11.4
243.58325	1.3
244.04568	1.0
244.07011	17.2
244.09436	3.5
244.11720	0.9
244.16641	1.7
244.57277	1.9
245.05176	2.9
249.08118	1.1
256.04105	1.0
262.07819	3.7
263.00726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50312	0.8
53.03933	2.7
53.14484	1.0
53.99279	0.7
55.01865	2.4
55.05492	0.9
59.85619	0.8
61.02922	10.9
65.03938	10.7
67.05499	5.2
69.03412	1.6
70.89538	2.0
71.04963	0.9
71.49874	0.8
77.03889	1.2
79.05505	5.1
80.92602	0.9
81.07033	3.4
82.04176	3.5
85.02897	3.7
86.09706	1.3
91.05479	18.9
91.06046	0.6
93.03405	1.3
94.04184	2.1
95.04963	15.3
97.02895	1.6
97.06519	2.2
103.05449	1.2
105.03387	3.6
107.04961	8.5
108.02068	1.4
109.06506	14.2
110.03645	3.6
111.04411	2.3
115.05476	0.9
115.77310	1.0
119.04951	5.2
121.06534	1.0
122.03608	1.7
123.04423	13.9
125.02351	6.4
125.05978	1.9
133.02844	10.1
135.04399	5.4
137.05968	20.0
138.03145	2.1
139.03880	1.3
140.04677	100.0
142.02586	3.0
146.03610	2.1
147.04366	6.7
148.01553	1.2
152.04642	2.8
153.05446	3.1
155.07024	74.8
156.07440	0.8
160.56567	1.0
163.03912	3.1
165.01921	1.0
165.05463	16.6
167.07071	1.5
171.06525	3.9
173.08090	6.4
173.09412	1.3
179.07014	10.3
180.04161	17.4
181.04950	69.5
183.06544	3.0
184.03738	1.4
184.05211	2.1
192.04228	1.1
193.03244	1.7
193.04944	22.3
195.06546	9.9
197.05998	3.8
197.08080	7.3
207.06482	24.5
207.08362	1.4
225.07550	15.9
243.06500	2.8
243.08623	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	244.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01868	2.8
55.05495	3.6
56.96563	45.1
57.03442	10.4
59.04988	1.4
60.95856	1.2
61.02921	18.5
69.03429	13.1
69.07056	1.2
69.51265	5.2
69.51682	4.1
70.06592	8.8
70.98121	2.7
71.01355	1.6
71.04980	5.5
71.95274	1.7
72.08145	3.0
73.02910	9.6
75.04456	2.2
77.00902	2.3
77.48116	1.1
81.03405	6.8
84.04500	2.4
84.08144	14.2
84.96037	3.4
85.02903	19.4
85.06519	1.2
86.09719	3.4
87.04459	4.6
88.99164	1.8
89.00854	1.5
91.02346	5.3
91.03951	1.9
95.00756	1.5
95.01936	1.4
95.02477	3.3
97.02304	1.8
97.02886	18.3
97.96809	1.3
98.01276	2.2
98.97582	27.1
98.98187	2.2
99.04444	3.5
100.02845	2.2
100.99132	4.4
101.00874	5.1
103.02325	1.7
103.04007	1.1
104.01266	1.3
106.02829	3.2
109.02894	4.0
110.01282	3.2
110.03140	1.6
110.97559	4.8
111.02057	1.6
112.05087	100.0
112.99139	7.7
113.00848	1.3
113.03509	2.0
115.02422	1.4
115.03992	1.5
116.03108	1.8
116.07101	2.1
116.98623	16.8
117.02076	1.2
118.01087	1.7
118.02800	2.9
119.00196	3.7
119.01905	17.6
119.03773	1.4
123.05595	1.2
124.02805	3.1
124.95464	1.2
125.03636	3.1
126.02594	2.8
127.03915	4.8
128.02341	1.0
128.98636	6.8
129.10251	1.3
129.98918	1.0
131.00171	11.4
131.01862	7.9
132.02565	1.4
133.01697	1.9
133.03377	7.1
134.99646	8.0
135.03224	1.3
137.02960	2.9
139.02379	1.3
140.00212	1.3
140.02309	2.6
141.01277	3.9
141.03079	4.8
142.96512	3.0
143.00180	1.6
143.01904	2.5
143.02853	2.3
145.01724	5.4
145.03436	7.6
146.99669	4.0
147.01297	1.6
147.03146	2.6
147.05020	1.4
147.11256	1.1
148.03877	2.5
149.01242	8.9
149.02882	3.4
150.01784	9.9
150.03619	2.5
150.51968	1.2
151.04449	1.1
152.53952	1.0
153.00757	1.3
154.03853	10.8
155.01874	5.0
156.03653	3.4
157.03433	8.6
158.05634	1.3
158.99651	4.9
160.40440	1.1
160.97569	2.6
161.01190	3.9
161.02902	5.6
163.02808	13.8
163.04414	41.9
163.54546	4.2
165.00761	2.4
166.06241	1.3
168.01793	1.1
168.03622	1.2
169.04422	6.9
170.96016	1.3
170.99704	1.9
172.04916	2.1
173.01463	2.3
173.02919	9.4
174.55214	6.3
174.99190	2.6
175.00687	1.3
175.02834	2.2
175.04413	2.9
177.00752	6.3
177.02165	1.1
177.04193	2.0
178.04924	28.2
178.55122	3.9
179.02222	1.3
181.03891	5.7
182.01501	1.6
183.55861	1.0
184.03000	1.3
184.04913	1.8
185.02863	5.4
188.97076	7.0
189.00743	3.4
189.55768	3.7
191.02226	2.0
191.03908	3.2
193.00203	2.9
193.03824	1.9
196.04773	1.8
197.02925	3.6
199.05428	2.6
201.00668	2.2
202.98691	2.4
203.04004	4.7
205.00195	1.8
205.01938	2.6
205.03873	3.0
206.98143	4.2
207.01733	2.4
214.05963	1.2
219.01753	3.7
220.99710	1.9
221.03122	2.4
221.05057	13.1
222.07660	1.7
235.06680	8.7
237.02823	3.1
239.06210	13.2
244.07004	14.6
244.09464	2.8
245.05151	3.6
247.04907	1.3
262.07922	2.1
263.00589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19774	1.1
53.03958	1.1
54.23101	1.1
55.05511	9.4
57.07056	2.0
60.05318	1.1
67.05505	14.8
69.07066	67.6
71.64559	1.5
74.58971	1.1
79.05492	13.2
81.07054	24.7
82.81742	1.2
83.08604	4.6
86.67101	1.3
91.05478	11.0
93.06473	2.2
93.07041	32.4
95.04964	1.8
95.08608	52.1
97.10165	1.9
105.07033	30.4
107.08599	23.4
109.10145	13.7
114.16376	1.3
117.07006	7.4
119.08587	28.2
121.10137	22.8
123.08060	1.1
123.11684	4.2
124.04664	1.5
128.06226	2.1
129.07005	3.9
131.08572	23.5
133.10124	18.6
135.11696	18.7
137.13269	1.8
141.06924	1.5
142.07765	1.9
143.08548	8.0
144.09338	3.8
145.10118	36.1
146.10880	1.5
147.11670	16.2
149.13266	22.6
155.08536	3.3
157.10088	6.4
158.10916	2.3
159.11702	41.9
159.13033	2.4
161.13260	12.9
163.14774	1.5
169.10115	3.4
169.43971	1.1
171.11668	2.3
173.06007	1.4
173.13252	23.7
174.14040	15.2
175.14803	7.1
182.10924	2.3
183.11694	1.3
185.13255	6.6
187.07529	2.5
187.14813	27.3
197.09627	2.7
197.13261	6.3
199.14777	2.9
200.15610	9.2
201.16380	11.3
215.10883	1.4
215.14374	1.8
215.17999	2.0
220.45406	1.3
225.12584	2.7
243.06665	1.8
243.10201	3.7
243.13908	11.9
243.21091	100.0
243.28827	2.2
244.20908	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89175	0.7
53.03934	0.8
55.01851	1.6
55.05503	5.8
57.03436	5.3
61.02917	0.7
67.05495	2.0
68.99774	2.2
69.03423	1.6
69.07072	3.2
70.06590	1.6
71.62121	0.8
71.62512	0.9
73.27478	0.7
75.04462	3.0
77.03931	0.7
79.05492	1.5
81.03402	5.7
81.07035	1.6
83.04990	1.2
83.08618	9.2
84.04473	1.8
85.02885	0.7
86.09686	3.9
91.05470	2.8
93.07014	1.7
95.04942	1.8
95.08619	1.4
97.02888	1.2
97.06525	0.6
98.03625	1.0
99.04448	0.7
103.05452	0.7
105.07019	1.9
107.04971	1.1
107.08549	1.0
109.02872	19.2
109.06533	1.2
109.10132	0.9
111.00806	6.7
111.04404	1.5
111.08068	2.8
121.06483	0.8
123.04426	2.2
124.01575	0.6
125.02374	0.9
126.03127	16.3
127.03889	1.2
132.10185	0.8
135.04422	1.2
137.05981	1.6
140.04651	6.0
141.05455	57.9
147.04453	1.2
154.02562	1.4
155.03394	1.1
155.07036	5.4
155.08192	1.0
157.08578	1.2
164.95737	0.7
165.05431	1.6
169.04953	100.0
170.05550	1.0
175.09601	3.9
179.07027	1.3
180.04167	1.0
181.04939	3.6
181.06306	0.8
182.07317	0.7
183.04607	0.6
183.08130	1.0
193.04935	1.7
195.06572	0.7
197.07954	1.1
197.09669	2.0
201.05544	1.0
207.06461	1.1
210.06819	1.5
211.05939	4.1
215.06943	0.9
225.09090	2.8
243.06429	1.5
243.08554	2.1
243.10454	1.2
243.12167	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	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03923	1.8
55.01858	2.1
61.02926	8.1
65.03938	6.6
67.05486	4.6
69.03415	2.6
70.93322	2.8
74.35202	1.0
75.16884	1.1
77.03922	1.2
79.05496	6.4
81.07021	4.1
82.04185	1.9
82.96006	1.0
83.04999	1.3
85.02911	5.5
86.09677	3.9
91.05478	14.5
93.03413	1.6
94.04173	2.4
95.04974	14.3
97.02858	2.4
97.06517	2.1
101.05952	1.6
101.79131	0.9
102.93523	1.1
105.03367	2.9
107.04967	8.0
109.02856	1.4
109.06515	14.8
110.03664	6.0
111.04444	2.4
118.04215	1.0
119.04891	6.6
121.06494	0.9
123.04429	16.4
125.02332	9.2
125.05946	1.2
133.02849	9.6
135.04381	5.2
137.05969	22.0
138.03113	2.4
140.04674	100.0
142.02612	1.8
147.04404	5.9
148.01520	1.1
152.04665	1.9
153.05466	2.4
154.06219	1.1
155.07022	80.1
156.07393	1.8
159.07961	1.1
163.03833	1.7
165.01825	1.2
165.05482	18.0
171.06511	5.5
173.08101	7.3
179.07013	9.7
180.04178	19.2
181.04945	75.9
183.06494	3.2
184.03706	1.8
193.04967	25.0
195.06520	10.3
196.07309	1.2
197.05977	2.7
197.08055	8.9
207.06519	29.1
225.07542	16.5
225.09506	1.3
243.06418	2.3
243.08615	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.0
69.53204	1.0
71.95252	0.3
82.99465	0.1
82.99888	0.3
84.96042	0.2
88.84053	0.1
94.49425	0.1
96.59554	0.1
98.20796	0.3
98.97581	5.5
100.97187	0.1
100.97971	0.1
101.00874	2.3
116.98615	6.0
118.98206	0.3
118.99068	0.3
119.01916	14.7
120.02026	0.2
127.97845	0.1
134.99670	5.2
136.99184	0.1
137.02953	5.0
140.00261	0.3
140.98837	0.3
142.03534	0.5
146.46211	0.1
153.00813	1.4
158.01253	0.2
158.99867	1.1
165.99660	0.2
173.01160	0.2
175.03015	0.4
176.02499	0.1
177.00946	26.3
178.01071	1.6
179.00909	0.2
182.99895	0.5
189.00746	0.3
193.04057	0.5
195.01997	0.6
197.00635	0.2
197.25818	0.1
199.03119	0.1
200.02547	0.8
201.00891	1.4
201.02461	0.4
201.07277	0.1
215.01578	0.2
217.04070	3.0
218.03670	0.4
219.01996	29.2
220.02121	3.1
220.04240	0.3
221.01910	0.3
222.01863	0.2
225.00812	2.4
234.00746	0.2
237.03062	0.2
242.03540	1.0
242.96167	0.3
243.01935	7.4
244.02048	0.2
260.04639	0.2
261.03043	100.0
262.03168	3.4
263.03464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1585
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
54.66950	1.7
55.01870	3.4
55.05513	3.6
57.07044	2.0
58.35045	1.5
59.05014	1.7
67.05483	5.4
69.03429	1.5
69.07060	4.5
70.62936	1.6
70.97874	1.4
71.65423	1.5
71.65807	2.7
79.05462	5.3
81.03364	2.1
81.07043	5.2
83.04938	1.6
83.08624	2.3
83.76102	1.4
85.51681	1.3
91.05477	12.5
92.05840	2.8
93.07021	5.4
95.04930	5.5
95.08576	4.4
97.06526	1.8
105.07033	12.0
107.08554	6.0
109.06526	2.6
111.04435	2.8
115.05441	2.0
117.06985	2.5
119.08568	8.0
121.10107	2.8
123.52736	1.7
128.06215	6.1
129.06999	9.1
131.08560	6.2
133.10123	2.6
135.08061	2.9
141.07001	9.2
141.61641	1.8
142.07770	11.9
143.08568	23.3
145.06418	2.0
145.10106	6.0
147.08038	2.7
152.06212	6.6
153.06985	6.7
154.07730	3.6
155.08548	39.0
156.09369	10.5
157.06525	2.1
157.10139	29.6
159.11690	3.3
163.11185	3.3
165.06985	7.4
166.07735	3.5
167.08577	13.2
168.09378	11.1
169.10115	11.6
170.10907	2.4
171.07986	5.1
171.11705	15.1
179.08534	6.2
180.09193	2.6
181.10118	13.2
182.10834	6.3
183.11671	50.6
184.12393	2.8
185.09618	16.0
185.13210	4.1
193.10197	7.1
194.10876	2.5
195.06711	1.4
195.08084	13.5
195.11662	9.3
197.09486	2.4
197.13248	36.3
197.42279	1.7
198.13974	8.4
199.07568	1.5
199.11189	14.1
199.12723	1.7
199.13097	2.6
199.14816	29.6
208.12399	4.6
209.11615	1.7
211.11279	2.4
213.09116	4.6
213.12837	4.0
213.16397	11.9
223.07532	3.4
223.14774	18.0
226.13658	1.6
227.12494	1.8
241.04926	3.1
241.08656	20.1
241.15858	100.0
242.16068	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1902
Annotation	17-Methylmorphinan
Peak:m/z	Relative Intensity
52.96559	0.5
53.03927	0.7
55.05499	1.7
58.06569	0.5
67.05494	1.4
69.07044	1.3
70.06576	2.1
71.21064	1.0
76.99076	0.4
79.05486	5.0
81.07059	2.6
82.06573	0.5
84.08118	1.6
91.05472	4.8
93.06538	0.6
93.07046	7.7
94.06566	1.9
95.04955	0.6
95.08583	1.6
96.08124	5.2
98.09672	1.4
105.07018	8.8
107.08578	3.7
108.08112	7.9
110.09692	0.6
117.07000	2.0
119.08579	4.0
120.08085	1.2
121.08875	0.7
121.10130	5.2
122.09655	2.0
128.06192	3.3
129.07011	4.2
131.08563	3.7
133.10129	2.8
134.09602	0.9
136.11206	0.5
141.06961	1.9
142.07805	3.4
142.15913	1.4
143.08549	11.1
144.09286	0.8
145.08945	0.8
145.10120	4.3
146.09682	2.2
147.10571	0.6
147.11636	2.7
148.11198	3.0
154.07715	0.9
155.08542	2.8
156.09329	1.9
157.10127	9.1
158.09586	0.6
159.11662	3.9
160.11147	1.0
161.13335	0.8
162.12769	15.5
169.10103	2.0
170.10886	1.9
171.11673	0.7
172.11166	0.6
173.13292	0.7
181.10191	0.7
183.11668	3.9
185.13251	19.0
186.12807	1.8
195.11536	0.7
196.12381	0.6
197.09505	0.5
197.13304	1.0
199.14851	1.0
200.14333	1.5
201.16431	1.1
210.14011	1.2
212.14302	0.5
225.16330	3.1
232.81055	0.5
242.19020	100.0
242.28375	3.9
243.10045	0.8
243.17331	0.7
243.19438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01868	0.2
55.05500	0.7
56.05022	0.3
56.96563	6.8
57.03423	0.5
58.06598	20.0
61.02910	0.6
62.42852	0.2
68.05025	0.2
69.03407	0.7
69.07045	0.4
70.06594	3.5
70.10811	0.6
70.11206	0.4
70.98129	1.4
71.04982	0.6
71.51782	0.2
71.95248	0.3
72.08139	0.7
73.02924	0.4
73.06537	0.5
75.56779	0.2
81.03421	1.2
81.04543	0.6
81.07048	0.2
83.04967	0.3
84.08139	11.1
85.02893	0.9
85.06520	0.6
86.06065	0.2
87.04456	0.2
88.99138	0.6
95.04946	0.4
97.02884	0.9
97.06516	0.4
98.06028	0.4
98.09690	1.6
98.97585	4.1
99.04435	0.4
100.11261	0.4
101.00896	0.4
110.07155	0.3
110.97546	0.5
114.05527	0.4
116.07098	0.6
116.98625	2.7
117.01875	0.3
119.01901	1.1
126.05505	0.6
126.09101	0.3
127.03900	0.3
128.02324	0.5
128.10710	4.1
128.98610	0.5
133.03438	0.3
134.99622	1.3
137.02901	0.3
139.00690	0.3
143.01871	0.2
144.10199	0.8
146.99619	0.5
152.10686	0.3
155.04639	1.6
155.54871	0.3
157.01707	0.3
158.99631	0.8
161.01181	0.4
161.02921	0.3
163.02731	0.3
164.05203	1.2
165.00639	0.2
167.00203	0.5
168.10194	0.9
170.05078	0.2
173.01210	0.4
173.02939	0.2
173.06651	0.4
175.04579	0.3
177.00699	0.8
182.99638	0.5
185.01158	1.1
187.02734	0.3
189.00780	0.2
189.04288	0.3
191.02287	0.3
195.11301	0.9
196.09697	5.6
197.01251	0.6
197.06618	0.4
199.04361	0.2
201.00687	0.7
213.15979	0.6
215.02238	1.8
217.00061	0.3
217.05597	0.4
219.01817	0.8
223.08037	0.2
223.10733	0.3
225.05089	0.2
233.03265	0.6
237.02754	0.5
241.15462	100.0
242.03514	0.2
242.15758	1.7
245.04974	0.2
251.04128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.01858	0.3
55.05493	0.4
56.96547	1.2
57.03423	0.6
58.06596	19.2
58.29803	0.2
60.08153	1.5
61.02908	1.0
62.54179	0.2
67.05477	0.3
69.03408	1.0
69.68238	2.0
70.06587	3.3
71.04978	0.8
72.08140	0.5
73.02895	0.7
74.35652	0.3
79.83994	0.2
81.03406	0.9
82.33788	0.3
84.08134	11.1
85.02467	0.2
85.02893	1.6
85.06508	0.3
87.04465	0.3
88.07616	0.3
94.06564	0.3
97.02889	1.0
98.09673	1.4
98.21451	0.6
98.97572	1.2
99.04433	0.4
100.11235	0.7
101.00872	0.6
104.10737	34.3
105.11047	0.3
109.02926	0.3
110.97587	0.3
112.99141	0.3
114.05489	0.8
115.02426	0.4
116.98627	0.6
119.01873	1.0
126.05482	0.4
126.09168	0.6
126.16766	0.3
127.03949	0.5
128.10701	4.4
128.98622	0.3
130.03644	0.4
131.00105	0.4
131.01898	0.9
133.03522	1.3
133.64146	0.3
135.06409	0.3
136.06126	0.5
137.06502	0.8
141.36278	0.3
144.10222	1.5
145.03415	0.5
151.12540	0.3
152.07034	0.8
152.10683	0.3
153.07457	0.4
159.05006	0.6
161.02997	0.4
161.05545	1.9
168.10197	1.0
170.06027	1.1
173.02950	0.6
175.04495	0.3
175.57495	0.3
178.04933	0.3
187.34668	0.3
195.11293	0.3
196.09691	5.1
197.09972	0.3
213.15887	0.6
219.01785	0.5
224.09207	0.4
238.52884	0.3
241.15451	100.0
242.15797	1.8
249.08348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86420	2.2
54.16206	2.0
55.01867	4.3
55.05502	11.1
55.59453	2.2
57.03430	3.2
58.14517	2.0
64.42010	2.1
67.05506	15.4
67.19081	2.3
69.03407	2.5
69.07058	11.8
69.34049	26.1
70.06592	11.0
71.04990	3.8
72.05772	3.6
79.05498	27.3
81.03418	3.7
81.07055	19.9
83.04964	3.0
83.08609	8.3
85.06564	2.4
85.19775	2.3
91.05476	9.2
93.03685	3.2
93.07044	33.2
95.04961	9.0
95.08601	37.9
96.08124	6.2
97.02901	4.1
97.06506	5.0
98.21519	5.0
99.04527	4.5
105.07038	6.0
107.04957	8.8
107.08584	22.0
109.06483	3.6
109.10149	3.2
111.04440	3.2
117.07005	8.6
119.08560	11.7
121.06522	5.2
121.10140	11.1
125.05923	2.6
128.06200	3.4
129.07025	6.5
131.08539	2.4
133.10097	2.9
135.08089	2.2
135.11690	43.2
141.07050	2.8
143.08525	3.1
145.10123	22.6
152.06210	11.5
153.06973	5.4
155.08568	4.2
157.06488	2.4
157.10124	4.3
163.11180	63.3
165.07025	5.3
166.07843	3.4
167.08524	21.6
171.08008	3.2
173.09613	3.5
181.12212	16.7
195.08055	20.0
197.09628	3.4
198.06700	2.5
199.07562	6.4
212.04607	2.9
213.09155	11.5
223.07587	4.9
226.06279	4.5
227.12772	100.0
241.04976	5.1
241.08578	39.1
241.12321	5.5
241.15781	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	241.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
56.96551	18.8
58.06583	16.1
69.03419	7.9
70.06570	9.9
70.59032	19.9
70.98132	5.0
70.99882	4.6
84.08126	13.8
97.78584	4.7
98.97543	5.2
101.00864	9.9
103.93004	4.4
104.10724	20.4
118.99683	5.4
119.01907	37.3
128.10785	5.2
133.03441	9.0
137.02950	13.0
145.03415	5.7
157.03522	4.7
159.87100	5.5
161.68546	5.1
173.06624	10.4
175.04514	6.6
177.00627	4.7
196.73108	4.9
199.04437	9.0
217.05580	11.2
223.08051	9.9
227.03960	8.5
241.05521	9.0
241.08955	5.0
241.15459	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	241.0858
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
53.03947	1.8
55.01876	0.4
55.05503	1.2
57.03422	0.4
65.03938	2.2
67.05502	2.4
68.99796	0.3
69.03424	0.5
69.07062	0.8
71.05029	0.3
71.64479	0.4
76.39586	0.3
77.03925	1.4
79.05495	3.5
81.03417	0.4
81.07064	1.0
82.02570	0.3
83.04984	2.1
83.08644	0.3
89.03919	1.3
90.02502	0.3
91.05478	100.0
91.66630	0.3
92.02625	1.2
92.05812	1.2
93.03722	0.3
93.07022	0.5
93.36382	0.3
95.04965	3.6
95.08604	0.9
97.10187	0.3
103.05434	0.3
105.03368	2.4
105.04508	0.7
105.07070	0.4
107.04929	0.6
107.08607	0.5
109.10143	0.4
111.04463	0.4
115.05421	0.5
117.03411	0.7
120.02082	0.7
121.10154	0.5
123.11678	0.4
128.06229	1.1
129.07010	1.1
131.04938	0.4
133.02879	0.4
135.04414	4.2
141.06996	2.2
142.07776	0.8
142.79224	0.3
143.08537	1.1
145.02853	0.6
145.06474	0.5
145.10208	0.3
152.06226	1.8
153.06949	1.7
153.16487	0.3
154.07758	0.5
155.08583	0.5
156.05672	0.9
157.06505	1.1
157.10123	0.8
158.07323	0.3
159.04411	0.5
159.08043	0.4
163.03899	30.4
163.19307	0.3
164.04251	0.4
165.07007	1.0
166.07780	0.6
167.08563	2.2
169.06458	0.7
170.07335	0.6
171.04443	0.3
171.07977	0.4
171.11636	0.4
173.02432	0.3
173.09630	1.3
181.04979	21.5
181.06465	3.2
181.10173	0.4
183.07954	0.4
184.05161	2.3
184.08699	0.3
185.05975	1.1
185.09624	1.4
185.13271	0.4
187.03873	0.3
195.07993	2.1
195.11688	0.6
197.05972	1.5
198.06725	0.8
199.03891	1.2
199.07521	6.5
199.14796	0.5
209.05978	1.1
212.04707	1.1
212.08330	1.1
213.05405	0.9
213.09001	2.1
213.12505	0.3
223.07541	0.7
226.06172	1.7
239.48520	0.3
241.08588	35.3
241.12224	4.7
241.15755	0.7
241.19632	0.9
242.08969	0.9
259.09686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0865
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
55.01878	0.8
55.05498	0.7
56.96555	0.7
57.07061	0.6
65.03941	0.6
67.05499	0.6
69.03426	3.1
69.07073	0.7
69.33723	0.4
69.77784	0.9
69.78194	2.3
70.06589	49.2
71.04978	0.7
79.05489	0.6
81.07033	0.7
84.04517	0.6
84.08115	0.6
91.05483	0.6
92.05022	0.5
92.98594	0.5
95.08591	0.5
95.34800	0.4
96.08118	4.3
97.02891	10.9
98.21506	0.6
109.02878	0.6
110.06026	0.5
111.04421	0.5
114.05529	3.3
120.08091	0.7
122.09666	0.7
125.02347	16.1
126.06647	0.7
129.10301	0.5
137.06009	0.4
148.07549	3.1
150.09119	4.7
154.05011	1.1
166.08615	0.7
176.07069	0.6
182.31483	0.5
194.02689	0.7
194.08133	4.3
194.11713	0.8
222.07603	100.0
223.07956	1.7
240.03371	1.1
240.06445	1.5
240.08629	14.6
240.12279	1.0
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
53.03876	1.1
55.01785	1.7
55.05409	1.9
56.04962	0.8
56.05186	0.5
56.96472	11.3
56.96787	2.8
57.03340	2.2
58.06535	0.8
59.04927	0.6
60.95787	0.6
61.02826	5.7
61.03170	1.0
65.03851	0.5
67.05429	0.8
69.03325	7.1
69.03730	1.2
69.06989	0.7
70.06488	41.7
70.98003	1.7
70.98340	0.4
71.01257	0.6
71.04880	2.0
71.62910	0.9
72.08074	1.0
73.02800	1.7
74.05981	1.7
77.00842	0.6
79.05421	0.8
81.03304	2.4
83.04881	2.1
83.05311	0.6
84.04410	1.4
84.08034	3.0
84.95965	1.1
85.02797	5.5
87.04404	1.0
88.99103	0.7
91.02316	0.8
91.05370	0.6
92.98528	0.5
94.06482	1.0
95.04878	0.7
96.08127	3.4
97.02888	13.3
97.03461	0.8
97.96688	0.9
98.01239	0.5
98.97572	3.8
99.04346	1.2
101.00777	1.1
102.96978	0.6
104.10709	0.6
106.06429	0.6
108.08011	0.8
109.02782	1.6
110.97497	0.9
111.04409	0.8
112.07487	0.7
113.02380	2.8
113.05884	0.7
114.05523	2.9
114.06678	1.0
115.97805	0.7
116.98620	3.6
117.01922	1.8
118.00994	0.8
119.01914	5.6
120.00713	0.6
120.07979	0.7
122.05938	0.8
122.09563	1.6
123.06712	1.0
124.07493	1.9
125.02352	17.9
126.02477	2.2
127.03822	1.9
128.02129	0.8
128.98506	1.7
129.10201	0.8
130.08559	0.7
131.00148	1.1
131.01823	1.9
132.00665	0.7
133.01541	0.8
133.03351	2.2
133.04929	0.6
134.06009	12.6
134.99539	1.8
135.03027	1.7
135.04271	1.0
136.06097	5.6
136.07437	2.0
137.02977	2.5
138.05394	2.1
139.01459	1.2
140.02182	0.7
140.07031	0.8
142.03600	0.6
143.00070	0.6
145.01665	0.7
145.03397	1.3
146.99535	2.1
147.03110	1.7
148.01988	0.8
148.03821	1.4
148.07567	4.7
149.01111	1.6
150.01825	0.6
150.05376	0.9
150.09138	10.0
151.04340	2.3
152.07059	18.7
153.00296	0.5
153.07907	2.4
155.00099	0.8
156.04990	0.7
157.04431	0.6
158.99590	0.7
159.05009	1.3
160.07506	2.0
160.97495	1.1
161.01059	1.6
161.02861	1.4
162.06436	0.6
163.02698	1.1
163.03870	4.4
165.00658	0.9
165.04161	0.7
166.08679	3.3
169.04384	0.6
170.99556	0.5
171.03229	0.6
171.05019	0.7
173.01158	2.2
173.02815	1.1
173.04961	0.5
173.06595	3.2
175.02805	1.0
175.04449	1.5
176.07053	1.2
177.00658	1.5
178.04932	0.8
178.08600	3.0
182.99612	0.6
184.02136	0.7
185.01180	0.9
185.02850	0.9
185.26363	0.5
186.99153	0.7
189.00645	1.7
189.04225	2.0
189.06017	0.6
190.09200	1.2
190.98633	0.7
191.02228	2.0
191.03854	0.6
191.05653	0.6
191.07626	0.8
193.00139	0.6
194.06436	1.0
194.08130	15.3
195.08076	0.5
196.08205	0.9
196.09683	15.0
197.01247	0.8
198.04640	0.5
199.02774	0.5
199.04507	1.2
201.00697	1.6
207.01707	0.8
209.03343	0.5
214.09311	1.2
215.02264	1.0
217.00125	1.1
217.05562	1.4
219.01744	1.1
219.06076	0.7
220.04199	0.9
222.07610	100.0
223.07977	1.9
229.04657	1.6
233.03484	1.0
235.01036	1.0
235.04863	1.3
237.02907	0.7
240.08688	50.2
240.10867	4.9
241.05562	0.6
241.08926	0.8
241.15454	5.2
249.08186	1.2
253.02328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.1
55.01786	2.2
55.05424	3.3
56.04893	0.6
56.96480	12.0
56.96795	2.2
57.03352	1.8
58.06515	2.4
58.06779	0.9
61.02835	4.4
61.03173	1.4
67.05436	1.8
69.03337	7.1
70.06499	45.2
70.98056	1.4
71.01291	0.7
71.04897	3.0
71.84462	0.6
72.08097	1.1
73.02826	2.0
74.06000	1.4
79.05424	1.4
79.06460	0.7
81.03321	2.3
81.06992	1.3
83.04884	2.4
84.04438	1.0
84.08057	2.6
84.95958	1.9
85.02811	5.3
85.06483	1.0
85.79939	0.8
86.09627	0.9
87.04385	2.2
88.32973	0.7
88.69464	0.7
95.04887	1.4
95.05983	0.9
96.08115	6.0
97.02882	13.5
98.21524	1.5
98.97573	5.8
99.04375	1.6
99.58891	0.7
101.00784	1.7
104.10639	2.1
108.08053	1.7
109.02785	2.5
109.06431	0.7
110.01124	0.9
110.97463	0.7
112.07552	1.0
112.99061	0.6
113.02273	2.3
114.05435	3.3
114.06718	0.9
115.02315	1.2
115.03105	0.7
115.03864	0.8
116.98617	4.6
117.02033	1.0
118.01023	1.0
119.01911	4.5
120.07990	1.1
122.06016	0.9
122.09576	1.7
122.96278	0.7
123.06746	1.5
124.07492	3.2
125.02351	16.6
126.02502	2.2
127.03905	1.0
128.98569	1.7
129.10141	1.5
131.00085	2.0
131.01779	2.5
132.05045	1.0
133.01529	1.0
133.03334	2.3
134.05020	1.1
134.06003	17.1
134.99576	1.5
135.03046	2.4
135.04224	0.7
136.06187	6.1
136.07486	2.7
137.02896	1.4
138.05426	2.6
139.01395	0.8
139.02451	0.8
140.06989	1.2
143.00072	0.9
143.01825	0.8
145.01617	0.9
145.03365	2.1
146.99585	2.0
148.02029	0.8
148.03812	1.0
148.07590	4.2
148.08492	0.9
149.01125	1.4
150.05368	0.8
150.09148	10.9
151.04340	2.3
152.05891	1.4
152.07057	22.1
153.00517	1.0
153.07782	1.7
157.03458	0.8
158.99614	2.0
159.04993	1.2
159.52562	0.8
160.07523	2.7
161.01102	0.8
161.02847	0.9
166.08649	4.5
168.06403	1.0
173.01302	1.6
173.02844	1.8
173.06544	1.5
174.04379	0.9
174.99123	1.2
175.02730	1.0
175.04359	2.0
176.07082	2.2
177.00679	2.3
178.04811	1.1
178.08607	2.4
179.55295	0.7
184.02254	0.9
184.04733	0.9
185.03012	1.1
186.99074	1.1
187.02794	0.9
188.05135	0.8
189.00722	1.2
189.06165	0.9
190.09247	1.4
191.02240	1.9
191.05666	1.0
193.03853	0.8
194.06415	1.4
194.08112	19.1
195.01733	0.9
195.08208	0.8
196.09697	16.0
199.04497	1.0
201.00690	1.7
202.53487	0.8
202.98679	0.8
203.04100	0.9
207.01831	1.0
214.09232	1.5
217.00226	1.4
217.05614	2.0
219.01785	0.8
220.04152	2.5
222.07602	100.0
223.07936	2.4
224.04332	0.8
229.04727	1.0
235.01219	1.5
237.02721	0.9
240.08679	57.7
240.10846	5.2
241.09035	1.2
241.15457	9.0
249.08276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00298	1.1
53.03938	1.3
55.05508	23.9
57.07071	100.0
65.03944	1.3
65.20116	0.6
67.05500	49.9
69.07063	24.4
69.07447	0.7
70.39184	0.7
71.04993	2.1
71.08627	60.5
71.25401	0.9
71.25725	1.1
72.04516	2.7
73.04843	0.7
79.05483	5.0
80.16162	0.5
81.07052	54.4
83.08614	28.2
85.06528	4.2
85.10180	32.1
88.02219	1.8
89.06018	1.5
91.05488	1.2
93.07038	3.6
95.04960	0.7
95.08601	73.8
96.08975	0.7
97.10165	12.8
97.10757	0.9
98.65144	0.6
99.08114	1.9
99.11732	0.8
105.07036	1.2
109.10149	25.3
111.11724	2.0
117.07026	0.6
123.11698	7.3
129.07022	1.3
133.82904	0.6
137.13284	2.2
141.06975	1.0
143.08556	0.8
151.14838	0.9
155.08588	2.7
157.10126	1.4
167.08611	1.0
169.10101	1.9
171.11664	1.5
181.10135	0.8
183.06638	1.1
183.11745	2.0
197.13246	1.5
211.07645	1.3
239.07039	3.5
239.10777	0.8
239.14629	0.9
239.17990	5.5
239.23730	1.9
255.06525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03936	3.2
55.01869	3.1
55.05259	2.1
55.05507	25.3
57.03417	3.5
57.07068	11.3
59.04985	2.4
65.03942	3.5
67.05502	44.7
69.03420	2.7
69.07065	32.3
71.04978	6.7
71.08611	3.5
71.64548	2.9
71.64915	1.4
75.09698	1.4
76.28065	1.8
79.05486	30.7
79.05949	1.8
81.03426	2.0
81.07055	100.0
83.04997	2.4
83.08624	13.3
85.02911	1.5
85.06541	25.9
89.06036	4.2
91.05469	19.1
93.07038	43.8
95.04962	34.5
95.08604	85.5
96.04501	1.3
96.06716	1.3
97.06537	9.7
97.10154	9.0
99.04469	3.6
99.08087	17.2
105.07027	32.9
107.08593	40.3
109.06529	8.3
109.10154	44.1
111.08084	10.1
111.11751	2.8
113.09673	7.0
115.05483	3.0
117.07062	1.5
119.08576	30.8
121.10139	25.5
123.08047	7.8
123.11703	21.2
125.09631	7.5
128.06256	3.2
129.07024	4.9
131.08565	1.6
133.10121	30.9
135.11699	10.0
135.12569	1.6
137.09674	3.7
137.13274	5.1
139.11186	3.9
141.06982	8.9
143.08556	2.3
145.06451	2.0
145.10086	1.8
147.08058	1.4
147.11690	25.8
149.13242	4.1
151.11176	3.2
152.06255	4.3
153.06970	10.6
154.07703	2.2
155.08534	22.8
157.10097	1.9
159.11736	2.6
161.13242	10.3
163.14804	10.5
165.05743	1.6
165.07013	7.5
165.12746	5.8
167.08598	4.2
168.05766	4.3
168.09261	1.6
169.06505	3.1
169.10103	2.8
171.11568	2.0
175.14830	3.4
177.16364	2.5
179.10767	2.0
179.14346	3.7
181.06470	1.9
181.10164	3.5
182.07138	1.9
182.10793	2.3
183.08057	11.1
183.11649	5.0
191.17990	3.9
193.06584	3.9
193.10214	1.8
193.12141	1.5
195.08005	3.0
196.05270	1.9
197.06000	10.7
197.13278	3.5
203.17972	18.3
206.02298	1.7
209.19067	4.6
210.10173	1.4
211.07529	27.9
211.11235	2.3
211.14740	1.8
212.07997	2.4
221.15477	1.7
221.18987	14.0
224.08211	1.7
239.03282	2.8
239.07063	65.5
239.10806	6.0
239.14355	5.0
239.17963	7.2
239.19977	18.0
240.07417	4.8
255.06540	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
54.23779	2.2
55.01861	3.9
55.05507	17.8
57.07051	10.6
59.04995	4.8
67.05502	30.8
69.03435	3.2
69.07061	31.7
70.97416	5.3
70.97792	5.2
71.04967	7.3
79.05488	30.1
81.07055	77.1
83.04958	11.4
83.08607	9.3
85.06516	9.0
91.05493	21.6
93.06476	3.7
93.07041	53.9
95.04945	7.8
95.08604	84.8
97.06511	11.9
97.10151	10.9
99.04469	2.7
103.05453	2.6
105.07021	40.6
107.04967	3.9
107.08594	55.6
109.06488	6.2
109.09454	4.4
109.10146	52.8
111.04469	2.7
111.08064	3.8
111.11679	4.1
113.09653	2.6
117.07005	11.9
119.08582	37.2
121.06543	4.7
121.10142	66.0
123.08050	4.5
123.11693	13.3
125.09633	4.7
129.07059	3.2
131.08562	19.8
133.10133	25.9
135.08014	6.2
135.11685	54.3
137.09639	4.4
145.10112	41.4
147.11656	11.0
149.09589	6.4
149.13231	10.9
151.11096	3.0
159.11676	38.6
161.13249	30.5
163.11186	17.1
163.14819	4.1
173.13271	18.5
175.14783	5.6
177.12738	4.7
177.16379	7.0
179.14317	2.9
181.12137	4.3
184.59193	3.1
189.16379	2.9
191.14247	5.5
191.17944	48.7
195.11717	4.7
201.16391	61.0
209.11723	4.8
219.17413	53.0
220.17628	2.7
228.61971	2.9
237.14690	5.1
237.16507	7.0
237.18481	100.0
237.22015	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	239.1065
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
50.72263	0.4
52.37288	0.3
54.88702	0.3
55.05486	1.0
57.03423	0.7
57.07055	0.5
66.84064	0.3
67.05483	1.4
69.03417	0.6
69.07037	0.8
70.42001	1.5
71.04976	1.0
71.08611	0.4
79.05473	0.9
80.13923	0.3
81.07062	2.6
83.04964	0.7
83.08624	0.5
85.06526	0.8
91.05460	1.0
93.07032	1.0
93.85403	0.4
95.04947	0.4
95.08616	2.2
97.06528	0.6
105.07025	0.9
107.08581	0.9
109.06498	0.7
109.10168	0.9
111.08065	0.5
119.08578	1.1
121.10123	0.6
123.08055	0.5
123.11699	0.4
133.10092	0.7
135.07996	0.4
135.11697	0.5
137.05981	0.6
137.09555	0.4
139.05441	0.4
139.11159	0.4
140.06345	0.4
141.06963	0.5
142.07690	0.3
145.06444	0.7
147.11702	0.7
151.07443	0.3
152.06146	1.8
153.06985	18.3
155.08540	1.0
164.06242	0.3
165.06987	59.8
166.07774	6.6
167.08524	1.0
168.05734	0.9
176.06229	0.6
177.07001	1.4
178.07764	4.8
179.08557	7.1
180.09285	1.0
181.06471	13.8
181.10066	1.5
181.74673	0.4
182.07095	0.5
183.08069	0.9
192.05696	0.8
193.06476	45.7
194.07236	8.5
195.08051	2.7
196.05205	0.6
196.08717	1.4
197.05916	0.5
206.07352	0.4
207.08046	2.2
208.08820	100.0
209.05980	36.5
209.09528	19.6
210.06441	0.7
210.09993	0.6
211.07649	1.8
211.11078	0.4
218.79362	0.4
221.15433	0.8
223.07634	0.7
224.08296	25.4
225.08707	0.6
239.07277	3.1
239.10652	72.6
240.11020	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03942	1.5
55.01854	1.2
55.05507	17.2
57.07055	2.9
59.05017	1.5
64.71681	0.9
67.05504	16.8
69.03426	2.0
69.07063	30.0
69.91702	4.3
69.92115	2.3
71.04974	3.3
71.08626	1.4
79.05489	11.6
80.04756	1.0
81.03384	1.8
81.07053	42.2
83.04951	3.2
83.08618	10.1
83.10429	1.0
85.06530	3.2
91.05466	8.1
93.07046	24.4
94.14651	1.1
95.04962	4.7
95.08601	42.3
97.06532	10.1
97.10189	4.6
105.06367	1.7
105.07025	24.3
107.08589	25.3
109.06520	4.9
109.10150	15.1
111.04411	1.2
111.08075	7.2
111.11709	2.1
113.05993	8.3
117.06980	3.2
117.09782	0.9
119.08572	20.3
121.06541	2.2
121.10148	21.3
123.08056	6.0
123.11693	6.5
124.06719	1.1
125.05985	1.9
125.09614	5.0
130.07797	1.7
131.08586	5.3
133.10115	11.9
135.08023	2.5
135.11688	16.0
137.09612	4.0
137.13225	7.9
139.11130	2.5
141.09090	3.9
144.09244	1.1
145.10104	15.2
147.11673	5.3
149.09589	4.2
149.13225	4.4
151.11180	2.2
153.05547	1.2
155.10692	5.4
159.11705	24.6
161.13251	31.6
162.13440	1.3
163.11182	9.7
163.14784	3.8
165.06960	1.7
165.12776	1.3
167.08582	1.3
167.10645	4.8
169.12233	3.5
171.55968	0.9
173.13219	3.0
175.14868	1.7
177.12711	4.1
177.16417	1.0
179.08592	1.3
179.10677	1.1
179.14294	2.9
180.09349	1.3
181.10101	2.8
181.12215	6.7
189.16356	3.3
191.17944	8.0
193.10150	1.2
195.11649	4.1
195.13626	1.2
201.16388	17.8
207.11693	2.2
207.17343	2.1
209.05879	1.2
209.11659	3.1
209.13338	1.8
219.17436	100.0
220.17717	2.2
222.13945	1.5
237.09291	1.3
237.12709	1.9
237.16347	7.2
237.18475	44.1
237.22012	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
51.49427	0.6
53.03938	1.0
55.05505	7.1
57.03435	1.3
57.07068	0.9
63.01854	0.6
65.03941	1.0
67.05505	10.8
69.07063	8.9
70.01955	1.5
70.02367	2.2
71.04993	1.2
79.05491	5.6
81.07056	25.0
83.04952	1.3
83.08597	2.4
85.06544	1.5
91.05470	4.1
93.07038	10.7
95.04965	42.5
95.08602	19.5
97.06532	17.8
97.10165	7.3
105.07027	23.1
107.08591	10.4
109.06520	14.7
109.10159	15.5
111.08069	1.5
111.11714	7.5
115.23606	0.7
119.08584	8.4
121.10133	10.5
123.08057	7.7
123.11696	3.4
125.09559	0.7
131.08559	2.8
133.10118	4.9
135.11702	5.0
137.09610	10.6
140.21310	0.7
141.09064	1.0
145.10162	5.5
147.11710	1.6
149.09610	7.5
149.13263	3.1
151.47139	0.6
159.11670	5.5
161.13255	42.9
163.14838	10.0
173.13283	1.5
179.14348	2.9
182.42229	0.6
191.17958	5.9
194.07347	0.8
201.16417	12.1
219.17433	34.9
237.18492	100.0
238.18817	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	237.1848
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
53.03942	0.6
55.05509	7.2
55.46364	0.7
55.77876	0.6
57.03424	2.0
57.07068	1.7
65.03925	1.6
67.05499	13.8
69.07063	12.0
69.73817	4.7
71.04977	2.1
79.05482	6.4
81.07049	28.2
83.04974	1.6
83.08602	2.7
91.05473	5.3
93.07033	12.9
95.04961	46.0
95.08602	22.7
96.05300	0.6
96.08965	0.7
97.06522	17.6
97.10165	8.0
98.20731	1.2
105.07020	21.7
107.08587	9.7
109.06509	15.0
109.10144	17.5
111.08056	1.1
111.11701	7.5
117.06988	1.4
119.08568	8.1
121.06497	1.0
121.10133	11.9
123.08066	9.0
123.11698	5.4
125.05930	0.7
126.12830	0.6
131.08540	2.8
133.10132	5.1
135.08058	0.8
135.11691	6.4
137.09605	10.6
141.09132	1.8
145.10118	7.5
147.11687	2.9
149.09602	7.4
149.13226	4.1
159.11696	6.4
161.13249	48.1
162.13609	1.0
163.11171	1.7
163.14809	9.0
165.06985	1.3
166.07726	1.6
173.13239	2.2
175.14828	1.1
179.08569	0.7
179.14285	3.2
181.10164	0.7
191.17953	6.5
194.07259	2.2
201.16383	13.3
209.09605	1.0
219.17436	35.7
220.17804	0.8
228.33922	0.7
237.09259	5.8
237.18481	100.0
238.18828	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03929	2.1
54.31503	1.3
55.05507	14.6
57.03438	1.5
57.07064	3.9
67.05496	16.8
69.03425	3.1
69.07064	26.4
71.04984	6.7
71.45074	3.4
79.05491	16.9
81.07054	39.8
83.04996	3.4
83.08604	9.8
85.06526	6.1
91.05482	10.2
93.07036	34.6
95.04977	4.6
95.08603	34.4
97.06512	10.5
97.10161	3.4
99.08125	2.1
105.07027	35.5
107.08591	29.7
109.06511	5.9
109.10155	20.8
111.08047	11.1
111.11729	2.2
113.06013	4.7
113.09530	1.2
116.82416	1.3
117.07029	3.0
119.08569	29.7
121.06529	2.0
121.10141	31.1
123.08051	7.0
123.11723	6.9
125.09630	2.3
131.08539	9.9
133.10120	13.3
135.08067	2.8
135.11679	15.4
137.09648	4.1
137.13258	5.0
139.11143	3.0
141.06990	1.4
144.09453	1.4
145.10109	18.8
147.11679	9.2
149.05884	1.7
149.09605	3.4
149.13255	10.9
151.11182	2.8
155.10677	3.9
157.10211	1.7
159.11685	20.9
161.13263	41.2
161.14598	2.3
163.11194	15.2
163.14853	4.7
164.65532	1.3
165.06985	1.6
165.25241	1.2
167.10767	2.1
169.12201	2.9
169.14938	1.3
173.13293	2.5
175.14799	1.7
175.94810	1.3
177.12769	8.7
177.16458	2.1
179.14291	4.5
181.08493	1.4
181.12247	2.9
189.16461	6.4
191.17982	7.2
201.16388	17.0
207.17508	1.6
208.08687	1.7
209.09727	1.4
219.17435	100.0
237.09218	2.2
237.11034	3.2
237.14825	4.5
237.18509	45.0
237.22192	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	237.1847
Annotation	ent-3beta-Hydroxyspathulenol
Peak:m/z	Relative Intensity
53.03937	0.8
55.01847	0.6
55.05260	0.6
55.05508	8.0
57.03422	2.0
57.07060	0.9
57.42054	0.4
59.74013	0.4
65.03930	0.9
67.05176	0.8
67.05502	13.0
69.07067	12.0
70.86194	1.0
70.86526	0.6
71.04975	1.7
75.41767	0.4
78.25528	0.4
79.05496	7.4
81.07052	28.1
83.04983	1.0
83.08610	2.3
85.06509	0.6
91.05467	4.8
93.07040	10.6
95.04965	50.6
95.08602	23.2
96.05307	0.4
97.06527	18.7
97.10168	7.2
105.07027	26.7
107.08586	10.8
109.05782	0.9
109.06518	16.1
109.10153	17.5
110.37128	0.5
111.08060	1.5
111.11721	8.3
117.06971	0.9
119.08573	10.3
121.10139	12.1
123.08063	8.9
123.11700	5.1
131.08559	3.3
133.10124	5.2
135.11696	6.7
137.09627	10.4
139.25272	0.5
141.09068	1.4
145.10127	8.7
147.11659	2.9
149.09625	8.2
149.13275	3.5
159.11705	5.7
161.13254	47.9
163.11145	1.3
163.14825	8.6
173.13261	2.3
175.14781	0.9
177.16368	0.6
179.08440	0.5
179.14328	3.8
191.17937	6.3
201.16380	13.3
205.06497	1.6
206.07272	1.3
219.17432	39.5
222.06468	1.3
237.09074	5.0
237.18488	100.0
238.18768	1.3
259.35773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1233
Annotation	Phe Ala
Peak:m/z	Relative Intensity
55.01851	0.4
55.05505	1.8
56.96561	2.2
57.03435	0.4
57.07064	0.6
67.05507	1.2
69.03406	0.5
69.07049	0.9
69.07401	0.2
70.06580	0.8
70.66859	0.6
70.98130	0.3
71.04984	0.4
71.08630	0.3
71.64648	0.2
72.08154	0.7
79.05479	1.1
81.07053	1.1
83.04977	0.8
83.08642	0.3
83.27415	0.2
83.91248	0.2
84.04504	0.3
84.08150	1.2
85.02895	0.7
85.06589	0.2
86.09688	0.6
90.05553	0.6
91.05451	1.5
93.07042	2.5
95.04948	0.7
95.08603	1.4
97.02867	0.3
97.06516	0.5
97.10139	0.5
99.04452	0.3
103.05463	5.8
105.07011	0.8
106.06544	0.6
107.08597	1.0
109.02850	0.3
109.10151	0.5
109.22149	0.3
111.04419	0.3
117.07052	0.2
118.06549	0.6
119.08582	0.5
120.08099	100.0
121.08433	1.1
121.10122	1.1
123.11658	0.4
125.09604	0.3
129.10258	0.7
131.04893	0.7
131.08568	0.2
133.10146	0.4
135.04475	0.3
135.08084	0.4
135.11693	0.5
137.05983	0.3
142.05009	0.3
145.06458	0.4
145.10114	0.4
146.05960	0.3
146.09561	0.6
146.99586	0.3
147.04396	0.3
148.05107	0.3
153.12814	0.3
157.01779	0.3
159.11674	0.4
163.03923	1.0
163.07524	0.5
165.05515	0.3
173.09508	0.2
173.13245	0.3
177.05528	0.7
189.04300	0.3
191.06985	0.4
192.06599	0.8
192.10236	0.8
201.00720	0.3
205.04991	0.3
207.06523	0.4
215.02231	0.6
219.06439	0.3
219.13803	0.4
219.21025	0.5
233.03333	0.8
237.05658	0.4
237.07619	0.8
237.09691	0.3
237.12367	2.4
237.14832	0.6
237.22070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.01873	2.0
55.05497	4.2
56.10592	1.0
56.96555	2.3
57.03420	1.3
57.07062	3.5
57.78033	1.1
67.05491	4.2
69.03428	2.5
69.07082	5.1
69.84666	7.1
70.06595	2.7
71.04979	1.5
71.08605	1.5
72.08163	2.1
74.02427	2.6
79.05477	3.7
80.04980	1.6
81.03429	1.4
81.07047	7.0
83.04974	4.0
83.08597	2.3
84.04471	1.0
84.08138	2.8
85.06535	1.9
86.09667	1.6
89.27493	1.0
91.05460	5.7
93.07059	5.0
94.06598	5.0
95.04968	2.5
95.08617	6.2
97.06525	1.6
97.10195	1.8
103.05466	1.6
105.07014	2.6
107.04929	1.9
107.08573	6.3
108.04475	1.5
109.06548	1.4
109.10148	2.1
110.06001	1.3
111.08114	1.2
117.07043	1.1
118.06540	9.7
119.08628	1.4
120.04462	1.8
120.08102	25.1
121.06473	1.2
121.10148	3.8
123.08062	1.7
123.11672	1.5
125.09682	1.7
128.04948	3.8
130.06509	8.7
131.04918	3.3
131.08568	1.8
132.04425	3.3
133.10118	1.1
135.08081	2.5
135.11676	2.4
136.07582	10.2
139.07520	1.3
145.02898	1.0
145.07549	1.2
145.10033	1.7
146.06009	100.0
147.06389	2.5
148.03928	11.2
148.05022	2.0
149.13188	1.4
150.05557	1.9
157.07613	8.7
158.05989	1.3
159.09216	1.8
159.11679	2.2
161.01256	1.3
161.09573	1.3
161.13315	1.3
163.03926	4.4
163.07527	1.9
164.07042	1.6
166.08643	10.9
173.07120	3.5
174.05498	13.0
177.05498	1.4
177.09058	1.6
178.04991	1.1
191.08087	14.5
191.14407	1.4
192.06584	7.9
192.08229	1.4
202.05009	3.3
203.08159	5.4
209.09738	1.0
219.05898	1.2
219.08018	1.4
219.13748	1.6
219.20926	1.2
220.06076	2.9
237.09076	7.2
237.15048	3.3
237.18080	1.9
237.22058	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	236.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01860	5.2
55.05509	23.7
55.68439	1.3
56.05032	2.2
56.96563	81.4
57.03431	14.9
57.07067	3.5
58.07410	2.5
59.05006	1.6
60.04509	5.2
60.95843	2.6
61.02926	11.7
61.35558	1.5
67.05499	2.7
69.03424	24.0
69.07048	2.1
69.92799	8.3
70.06596	11.0
70.98093	2.8
71.05000	7.8
71.95247	1.6
72.08135	4.7
72.96049	1.6
73.02920	20.5
73.06180	2.0
73.06554	28.2
73.62872	1.3
74.02433	3.1
74.06118	1.6
74.97577	1.8
78.15646	1.4
80.04998	1.7
81.03416	10.3
81.07050	3.5
83.01336	1.7
83.04964	1.9
84.04504	2.7
84.08165	8.1
84.96014	5.8
85.02899	30.4
86.03225	1.9
86.06060	1.7
86.09690	3.5
87.04460	6.7
89.00762	2.6
90.01560	2.9
91.03916	1.6
91.05470	2.6
92.03105	1.7
93.07078	2.5
94.06550	6.0
94.63364	1.4
95.04980	3.8
95.06044	1.5
96.01526	2.3
97.02296	2.2
97.02888	32.5
97.06453	1.4
97.68053	1.6
98.03188	1.9
98.21371	1.8
98.97581	63.9
99.04444	5.7
100.07599	2.7
101.00792	2.3
101.06066	1.9
102.96979	1.5
106.05030	2.6
106.06505	1.8
107.03613	2.4
107.04995	1.5
109.02854	6.5
110.01297	9.8
110.07115	2.5
110.97536	6.0
111.02055	2.1
111.03871	2.0
112.99136	5.1
113.01801	2.2
113.03596	1.9
113.99455	3.2
114.09124	2.0
115.00719	2.8
115.03889	1.6
116.98619	48.3
117.03880	2.8
117.06984	1.8
118.03514	1.5
119.01817	16.3
119.03551	2.6
119.04945	2.1
120.08072	5.1
121.02832	1.7
121.06507	1.9
121.52050	1.6
124.64040	1.4
125.01756	2.2
125.03601	3.9
126.02570	2.5
127.03925	10.3
128.02295	9.4
128.04936	1.9
128.98598	11.6
129.02191	3.2
129.10194	2.4
130.08640	1.4
131.00166	12.5
131.01825	4.3
131.03601	2.1
132.00526	4.4
133.01756	2.8
133.03415	2.8
134.02312	1.4
134.99658	26.0
136.06169	3.4
137.02895	2.5
137.05991	9.9
140.00189	2.1
140.02263	3.6
140.98674	2.0
142.03844	1.4
143.00127	4.8
143.01880	2.1
145.01706	4.0
145.03470	1.8
145.04970	2.7
146.02296	6.2
146.04227	9.5
146.06000	48.7
146.99654	13.7
147.03282	12.6
147.55992	2.1
148.03806	1.7
149.01205	12.2
150.01541	6.6
151.02647	1.9
152.02312	3.9
153.00668	3.3
155.02687	2.9
155.04648	100.0
155.54819	10.8
157.01895	1.5
158.01158	2.6
158.99651	22.4
159.03204	2.3
159.04970	1.8
161.01376	7.9
161.02821	9.9
161.04721	4.3
162.05524	2.4
162.99091	2.9
163.02728	4.3
164.05174	60.0
164.55405	5.5
165.00758	3.8
165.04285	9.7
166.55470	20.2
167.02249	2.6
167.07005	3.6
168.05396	2.7
170.01318	2.0
170.03514	3.1
170.05168	13.3
170.99628	5.0
171.01253	1.9
172.95259	2.4
173.01265	2.1
173.02838	2.4
174.99017	1.7
175.02797	2.8
175.55980	5.5
176.05136	3.2
176.99191	1.9
177.00713	32.3
177.04283	5.8
177.05801	2.1
181.03780	1.9
181.55949	3.1
182.03380	9.9
185.01045	2.0
187.02751	3.8
188.05145	2.4
189.00714	7.5
189.04321	4.9
189.05937	2.1
190.98549	2.1
191.02335	3.0
191.03879	14.9
191.05701	13.0
191.54027	1.8
193.00253	2.3
193.03685	2.7
195.01717	2.5
195.05341	2.0
197.05742	2.3
200.02434	1.8
200.04340	2.9
201.00757	5.3
201.04210	2.9
202.01160	2.0
205.03783	3.3
206.06230	5.7
207.01794	2.1
207.05386	2.9
213.00632	4.2
218.06204	4.9
218.08105	3.0
218.09995	1.7
219.01782	12.1
219.05205	2.3
220.02039	1.9
227.06750	41.2
227.56920	3.6
230.98053	2.8
231.01762	6.2
231.05344	2.5
236.05238	3.6
236.07269	20.0
236.09258	3.2
236.11072	2.2
236.17253	12.6
237.02802	13.3
237.06256	1.6
246.59460	1.8
248.99208	4.2
249.02783	2.7
254.06232	2.2
255.03946	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	236.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01874	2.9
55.05496	7.1
56.05021	2.7
56.96291	5.1
56.96562	82.4
57.03434	28.9
57.07059	4.9
59.04986	5.2
61.02922	100.0
65.16650	2.8
68.78164	2.3
69.03424	16.4
70.06574	2.8
70.98103	5.0
71.04980	9.9
71.09327	7.1
72.04495	3.7
73.02908	12.8
74.03281	2.4
74.97581	4.7
75.04462	3.2
75.05487	2.3
81.03407	15.1
84.96006	8.1
85.02902	38.6
87.04463	16.0
88.99172	3.1
94.06553	4.4
95.04947	3.8
96.01557	7.1
97.02325	5.7
97.02882	10.8
97.96793	10.8
98.97576	34.4
99.04431	6.3
100.05230	3.5
103.02364	4.7
104.19250	3.2
105.02067	5.7
106.02872	3.1
108.01515	5.7
109.02879	7.7
110.01300	3.3
110.97584	7.1
111.04411	2.9
112.99116	10.9
113.02340	9.8
113.99430	3.4
114.06742	5.9
115.02406	3.7
115.97855	6.9
116.98625	18.8
117.02029	16.8
119.01852	16.8
120.01974	3.0
121.01621	3.9
124.02854	4.2
126.02567	36.8
127.03936	14.0
128.98573	17.8
131.00156	27.3
131.01872	4.5
132.00508	8.5
132.02693	3.1
133.03407	14.0
134.03554	3.5
134.99619	10.8
135.03094	53.5
135.53253	5.9
136.63261	2.7
141.01271	3.0
141.99356	3.0
142.02901	3.4
142.03879	40.6
143.00102	2.9
143.02847	5.9
144.54146	2.9
144.99843	4.0
145.01660	5.4
145.03400	5.5
145.93729	3.0
146.03615	3.0
146.05052	2.7
146.53845	5.6
146.99644	13.8
147.01329	2.8
147.03174	4.6
147.05045	3.8
148.03665	3.8
149.01244	28.6
149.02376	3.4
149.02925	5.9
149.04562	2.7
150.01668	12.6
150.51994	4.4
151.04396	76.8
151.54521	5.8
153.54683	4.7
154.02061	3.0
155.00095	4.6
156.03601	5.5
157.01625	4.5
158.05193	5.7
158.99663	8.5
159.03223	3.5
161.01205	9.4
161.02939	4.8
161.05644	3.2
162.55177	9.1
162.99144	2.5
163.02809	4.9
165.00777	5.7
170.99670	3.8
172.99458	3.1
173.01241	10.1
174.99112	4.4
175.02698	6.1
175.04472	5.2
176.03328	10.5
176.53426	2.7
177.00687	10.4
177.02286	3.9
177.04256	6.3
177.16965	2.4
178.04855	6.4
182.03276	2.5
184.03163	3.4
184.04919	4.1
184.51450	2.7
185.01416	3.3
185.03966	4.5
187.02747	4.6
189.00491	2.7
189.04208	7.1
189.05981	4.2
191.02264	10.0
192.04729	18.7
193.00113	5.6
193.03648	3.4
194.04242	7.2
196.54767	3.6
200.00014	3.4
201.00694	6.5
204.04506	5.5
205.01912	3.4
205.03767	4.9
206.04466	17.6
206.54614	3.3
211.03343	3.7
213.00587	3.2
219.01691	6.4
227.04927	21.2
231.01672	7.0
232.99669	3.2
236.05394	10.9
236.07469	5.6
236.15036	3.3
236.17215	15.1
249.02893	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	236.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01874	2.9
55.05496	7.1
56.05021	2.7
56.96291	5.1
56.96562	82.4
57.03434	28.9
57.07059	4.9
59.04986	5.2
61.02922	100.0
65.16650	2.8
68.78164	2.3
69.03424	16.4
70.06574	2.8
70.98103	5.0
71.04980	9.9
71.09327	7.1
72.04495	3.7
73.02908	12.8
74.03281	2.4
74.97581	4.7
75.04462	3.2
75.05487	2.3
81.03407	15.1
84.96006	8.1
85.02902	38.6
87.04463	16.0
88.99172	3.1
94.06553	4.4
95.04947	3.8
96.01557	7.1
97.02325	5.7
97.02882	10.8
97.96793	10.8
98.97576	34.4
99.04431	6.3
100.05230	3.5
103.02364	4.7
104.19250	3.2
105.02067	5.7
106.02872	3.1
108.01515	5.7
109.02879	7.7
110.01300	3.3
110.97584	7.1
111.04411	2.9
112.99116	10.9
113.02340	9.8
113.99430	3.4
114.06742	5.9
115.02406	3.7
115.97855	6.9
116.98625	18.8
117.02029	16.8
119.01852	16.8
120.01974	3.0
121.01621	3.9
124.02854	4.2
126.02567	36.8
127.03936	14.0
128.98573	17.8
131.00156	27.3
131.01872	4.5
132.00508	8.5
132.02693	3.1
133.03407	14.0
134.03554	3.5
134.99619	10.8
135.03094	53.5
135.53253	5.9
136.63261	2.7
141.01271	3.0
141.99356	3.0
142.02901	3.4
142.03879	40.6
143.00102	2.9
143.02847	5.9
144.54146	2.9
144.99843	4.0
145.01660	5.4
145.03400	5.5
145.93729	3.0
146.03615	3.0
146.05052	2.7
146.53845	5.6
146.99644	13.8
147.01329	2.8
147.03174	4.6
147.05045	3.8
148.03665	3.8
149.01244	28.6
149.02376	3.4
149.02925	5.9
149.04562	2.7
150.01668	12.6
150.51994	4.4
151.04396	76.8
151.54521	5.8
153.54683	4.7
154.02061	3.0
155.00095	4.6
156.03601	5.5
157.01625	4.5
158.05193	5.7
158.99663	8.5
159.03223	3.5
161.01205	9.4
161.02939	4.8
161.05644	3.2
162.55177	9.1
162.99144	2.5
163.02809	4.9
165.00777	5.7
170.99670	3.8
172.99458	3.1
173.01241	10.1
174.99112	4.4
175.02698	6.1
175.04472	5.2
176.03328	10.5
176.53426	2.7
177.00687	10.4
177.02286	3.9
177.04256	6.3
177.16965	2.4
178.04855	6.4
182.03276	2.5
184.03163	3.4
184.04919	4.1
184.51450	2.7
185.01416	3.3
185.03966	4.5
187.02747	4.6
189.00491	2.7
189.04208	7.1
189.05981	4.2
191.02264	10.0
192.04729	18.7
193.00113	5.6
193.03648	3.4
194.04242	7.2
196.54767	3.6
200.00014	3.4
201.00694	6.5
204.04506	5.5
205.01912	3.4
205.03767	4.9
206.04466	17.6
206.54614	3.3
211.03343	3.7
213.00587	3.2
219.01691	6.4
227.04927	21.2
231.01672	7.0
232.99669	3.2
236.05394	10.9
236.07469	5.6
236.15036	3.3
236.17215	15.1
249.02893	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	235.1691
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
55.05508	3.2
57.03433	1.5
57.07068	1.9
67.05504	4.2
68.86095	0.6
69.03428	2.9
69.07068	3.4
69.52102	2.7
69.52538	2.6
71.04992	1.3
74.98897	0.6
75.04457	0.7
79.05484	6.4
79.12315	0.5
81.06577	1.0
81.07056	14.9
83.04971	1.4
83.08635	0.9
85.02882	0.7
85.06534	1.6
86.46672	0.6
91.05464	8.0
93.07040	17.9
94.07336	0.8
95.04987	3.2
95.08601	8.1
97.06541	3.8
97.10160	1.3
105.07029	33.3
107.08591	24.7
107.09173	0.5
109.06510	2.2
109.10167	3.8
111.08024	1.0
113.06025	0.7
117.06991	3.5
119.07785	1.1
119.08582	15.9
121.06494	1.1
121.10144	10.2
123.08044	1.8
123.11662	1.3
128.06201	1.3
129.07022	1.8
131.08554	8.9
133.10130	11.2
135.08038	2.2
135.11693	5.6
137.09605	0.9
138.19366	0.7
142.07782	2.1
143.08556	4.3
144.09328	2.6
145.10089	2.3
147.08060	1.1
147.11673	6.4
149.09605	2.0
149.13249	30.6
151.11169	1.0
157.10107	8.1
159.11685	41.1
160.12024	0.7
161.09648	1.8
161.13243	11.3
171.11620	2.2
173.13309	1.6
175.07588	0.8
175.11247	3.7
175.14815	4.1
177.12744	100.0
178.07761	2.2
178.13051	2.0
179.08527	3.5
179.10686	1.8
187.14853	1.0
189.12735	1.2
189.16420	3.9
191.08426	0.9
192.08894	2.9
195.13832	7.6
195.15515	0.9
199.14784	5.2
203.08627	0.8
205.06517	0.7
205.15828	1.0
207.08080	2.0
217.15868	24.2
218.16191	1.0
220.08430	3.4
221.06058	1.2
235.07628	6.2
235.10957	4.7
235.16920	70.7
236.08043	1.8
236.17232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	alpha-santalenoic acid
Peak:m/z	Relative Intensity
50.04642	1.2
52.71093	1.3
55.05506	7.6
57.03419	5.0
57.07066	2.4
67.05497	10.6
69.03433	2.7
69.07051	7.2
70.25120	4.9
71.04982	5.4
75.04475	9.9
77.03923	1.4
79.05482	11.5
80.70356	1.2
81.07050	30.5
83.08607	1.6
85.06494	1.2
85.21140	1.3
89.96501	1.2
90.82704	1.4
90.85055	1.2
91.05463	21.5
93.07040	27.7
95.04960	16.3
95.08604	19.4
97.06528	4.3
105.07026	63.0
107.08590	29.4
109.06522	12.9
109.10149	12.8
111.08053	2.1
115.05451	1.9
117.07008	9.1
119.08568	37.7
121.06509	3.0
121.10146	23.9
123.08070	6.6
125.09620	1.4
128.06216	2.2
129.06981	5.6
130.07835	1.5
131.08572	15.5
133.10126	38.0
135.08046	3.6
135.11678	6.8
137.09601	2.6
142.07765	5.9
143.08548	14.0
144.09341	6.3
145.10114	8.0
147.08017	3.0
147.11687	11.2
148.12012	1.5
149.09552	2.0
149.13245	11.0
153.09116	3.7
157.10117	28.2
159.11684	91.9
161.09636	9.9
161.13249	46.2
171.11702	4.5
173.13181	3.7
175.11182	9.7
175.14810	3.5
177.12753	39.7
179.10609	2.1
184.12550	1.4
187.14755	2.3
189.16347	9.7
195.13728	3.1
199.14801	23.9
205.15717	1.9
217.15866	47.6
217.17929	2.9
235.16917	100.0
236.17088	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	235.169
Annotation	(+)-12-Hydroxy-alpha-cyperone
Peak:m/z	Relative Intensity
54.42428	2.0
55.01863	4.3
55.05507	10.6
56.08088	2.3
57.03417	4.5
57.07061	8.4
66.00032	1.8
67.05511	15.7
67.67010	2.2
69.03412	3.9
69.07074	11.2
69.43098	2.8
69.43499	18.7
71.04976	8.4
74.72231	2.1
75.04475	2.2
79.05479	19.3
79.41470	2.0
81.07052	52.8
83.04957	4.6
83.08595	3.9
85.02885	4.0
85.06528	4.0
91.05476	22.6
93.07046	42.5
95.04949	12.7
95.08602	40.7
97.06532	11.4
101.98660	1.9
103.05460	2.7
105.07021	71.3
107.08598	45.4
109.06508	13.5
109.10167	20.5
111.08079	7.6
117.07008	12.6
119.08576	58.0
121.06481	9.2
121.10135	24.5
123.08051	8.8
123.11716	3.6
127.07509	2.1
128.06177	3.8
129.06973	8.4
131.08566	21.1
133.10117	45.4
135.08063	7.2
135.11684	36.4
137.09613	5.6
142.07732	5.9
143.08592	13.4
144.09332	6.2
145.06531	2.8
145.10092	12.4
147.08015	6.0
147.11679	20.8
149.09622	9.0
149.13281	15.1
151.11150	4.0
156.09384	4.0
157.10120	25.8
159.11691	87.4
161.09615	10.5
161.13251	46.8
163.11154	4.5
167.10684	4.5
171.11664	7.5
173.13246	8.1
174.43391	2.2
175.07529	3.7
175.11195	7.6
175.14784	15.0
177.12747	53.2
178.07870	2.7
179.10664	8.6
179.14362	2.5
189.09103	3.1
189.12836	2.7
189.16351	27.8
199.14799	36.5
207.17432	5.4
217.15875	62.1
235.07483	6.6
235.09636	4.4
235.16919	100.0
236.08211	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	235.1691
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03949	0.8
55.01858	0.8
55.05505	6.2
57.03421	1.7
57.07053	2.1
59.04988	0.8
65.03926	0.9
67.05509	6.9
69.03407	2.8
69.07062	8.1
70.36031	2.1
70.36424	1.7
71.04995	5.9
72.72169	0.7
78.11257	0.7
79.05488	7.4
81.07056	17.9
83.04980	1.6
83.08615	2.2
85.06519	2.8
87.48333	0.7
91.05466	9.9
93.07043	16.9
95.04971	9.0
95.08601	13.5
95.77853	0.8
97.06538	6.9
97.10130	0.9
105.07030	27.0
107.04960	1.1
107.08588	21.0
109.06512	8.6
109.10141	5.8
109.91373	0.8
111.08083	2.4
115.05473	1.0
117.07025	6.2
119.08573	27.2
121.06522	2.8
121.10127	9.7
123.08070	6.1
123.11671	1.0
125.05998	1.8
125.09653	1.8
128.06218	1.1
129.06984	2.2
130.07825	1.0
131.08560	10.1
133.06453	0.7
133.09134	1.0
133.10129	18.3
135.08046	3.5
135.11708	7.1
137.09650	3.9
138.09677	0.9
142.07788	2.6
143.08577	6.8
144.09335	4.1
145.10101	5.2
147.08054	2.5
147.10674	1.1
147.11714	12.1
149.09592	3.0
149.13252	6.6
151.11177	2.1
157.08943	1.3
157.10117	15.8
159.11696	57.8
160.12059	1.2
161.09624	10.4
161.13258	11.5
163.11145	1.8
163.14720	0.8
167.10562	1.1
171.11684	2.3
173.13240	4.4
175.11188	11.9
175.14877	4.4
177.12741	18.3
179.10698	4.5
189.12770	1.6
189.16393	8.8
191.14319	2.4
193.15887	1.1
199.14821	15.4
205.15860	1.8
217.15895	26.9
235.16927	100.0
236.17235	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	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.31087	2.2
53.03915	3.2
55.01852	2.2
55.05506	24.9
55.72132	1.7
57.03430	4.3
57.07072	2.3
67.05504	26.3
69.07069	16.6
69.69321	13.9
69.89017	2.0
71.04994	4.5
73.98942	1.9
79.05489	25.1
81.06570	3.1
81.07051	64.1
81.77845	2.0
83.04964	8.2
83.08601	6.5
88.78204	2.0
91.05470	27.5
93.06460	2.8
93.07032	30.9
95.04974	11.4
95.08602	54.0
95.09219	2.8
97.06523	39.5
97.10163	30.4
105.07025	48.0
107.04945	4.2
107.08594	36.0
109.06499	7.9
109.10149	37.4
111.04436	14.5
111.08081	9.4
111.11713	3.0
117.06999	9.3
119.08569	35.3
120.08877	2.5
121.06489	12.0
121.10106	10.5
123.08082	4.2
123.11691	11.4
125.05956	4.5
125.09555	1.9
128.06218	2.4
129.06967	8.9
131.08531	11.5
133.10127	26.8
135.08038	28.2
135.08978	2.6
135.11688	6.1
136.08408	1.8
137.09628	3.4
139.07544	11.3
142.07774	5.1
143.08574	23.7
145.10139	9.9
147.08043	9.0
147.11693	16.5
149.09523	2.0
149.13293	8.6
153.09073	3.2
157.10124	17.1
159.11676	17.6
161.09607	8.0
161.13248	24.8
171.11656	8.3
173.13301	7.0
175.11163	3.7
175.14812	6.6
177.12672	2.2
184.12416	3.0
187.14836	4.2
189.12753	1.9
189.16423	25.0
199.12984	2.0
199.14825	40.6
207.17516	3.1
215.19043	1.7
217.15854	25.2
235.16916	100.0
236.17192	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	235.1692
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03923	1.0
55.05510	4.0
57.03436	1.6
57.07053	1.5
65.03934	0.9
67.05505	7.1
69.03400	1.0
69.07068	3.8
70.70020	0.6
71.03563	1.8
71.04975	3.0
71.86813	0.7
75.04478	1.5
79.05488	5.1
81.07054	17.6
83.04975	1.7
83.08626	1.6
84.42521	0.6
84.99544	0.7
85.02912	0.6
91.05461	6.3
93.07040	11.8
95.04962	13.8
95.08057	0.9
95.08607	12.3
97.06521	2.2
97.10140	0.9
105.07024	22.4
107.08595	12.4
109.06519	8.7
109.10143	8.0
111.04432	0.6
111.08060	1.8
115.05441	0.9
117.07001	2.6
119.08580	15.7
121.06494	2.7
121.10149	10.3
123.08073	3.2
123.11683	1.1
125.06023	0.9
128.06168	1.6
129.07005	2.1
130.07735	0.7
131.08571	6.0
133.06512	1.1
133.10129	14.6
135.08025	2.5
135.11682	4.6
137.09612	0.8
142.07787	3.1
143.08548	4.7
144.09311	2.6
145.06511	0.9
145.10086	2.6
147.08087	3.3
147.11688	6.6
149.09621	1.9
149.13237	2.9
153.09052	1.8
157.10144	12.3
159.11687	27.9
161.09624	32.5
161.13243	13.9
163.11127	1.1
165.09071	1.6
167.10648	1.7
171.11674	2.9
173.09514	0.7
173.13245	2.2
175.11174	5.0
175.14845	2.6
177.12729	12.0
177.97095	0.6
179.10645	2.1
189.16388	10.1
199.14827	12.8
217.15877	32.6
218.16203	0.9
235.16919	100.0
236.17355	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	235.1691
Annotation	alpha-santalenoic acid
Peak:m/z	Relative Intensity
53.03935	3.3
55.05504	7.9
57.03430	5.4
57.07058	4.4
65.76119	1.4
67.05504	17.7
68.68777	1.3
69.03419	2.2
69.07064	9.3
70.67992	3.3
70.68353	3.3
71.04974	2.7
75.04470	5.4
79.05494	17.0
81.07054	48.8
83.04970	4.5
83.08615	4.1
85.06535	4.7
91.05489	18.1
92.35107	1.4
93.07043	29.4
95.04964	14.4
95.08607	32.6
97.06533	7.1
99.04453	2.3
105.07027	55.2
107.08595	47.3
109.06510	16.5
109.10162	12.8
111.08088	3.4
115.05484	1.8
117.07046	9.2
119.08572	43.8
121.06491	4.3
121.10143	19.5
123.08069	8.8
127.07522	2.0
128.06180	2.7
129.06987	6.3
130.07726	2.5
131.08562	16.8
133.06583	1.9
133.10127	35.6
135.08044	5.6
135.11688	23.0
136.06190	9.8
137.04582	3.0
137.06529	6.3
137.09570	4.9
139.07629	1.8
139.11223	2.0
142.07756	6.2
143.08572	9.0
144.09334	6.0
145.10121	9.5
147.08038	5.3
147.11688	16.9
149.09575	4.2
149.13234	8.1
153.09189	3.0
157.10127	26.0
159.11685	81.9
161.09608	19.0
161.13255	47.2
165.09084	1.7
169.81293	1.4
171.11673	5.7
173.13251	6.0
175.11169	6.1
175.14847	8.6
177.12756	30.0
178.80003	1.3
179.10715	4.0
187.14825	2.4
189.12770	1.8
189.16400	25.2
199.14824	25.2
217.15875	54.7
235.07591	3.1
235.13562	8.7
235.16933	100.0
246.24759	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	235.1691
Annotation	(+)-12-Hydroxy-alpha-cyperone
Peak:m/z	Relative Intensity
53.03936	1.9
55.05491	6.0
56.03504	1.1
57.03411	2.2
57.07067	4.8
65.03929	1.8
67.05499	7.9
69.03403	1.8
69.07064	11.0
69.76855	5.9
69.77282	3.4
71.04708	1.1
71.04993	12.3
75.04477	3.0
79.05489	14.3
80.10997	1.3
81.03395	2.2
81.07048	25.3
83.04974	3.2
83.08614	2.6
85.06544	13.6
91.05476	14.8
93.07040	30.8
95.04962	10.8
95.08601	14.4
97.06516	4.9
99.04456	25.9
103.05489	1.4
105.07027	36.2
107.04932	3.7
107.08588	26.4
109.06518	13.7
109.10181	8.4
111.08098	2.3
113.05997	1.3
115.05443	3.5
117.06322	1.2
117.07009	8.8
119.08567	30.5
121.06496	15.5
121.10141	20.5
122.15235	1.3
123.08034	5.8
127.07558	3.8
129.07022	3.6
130.07809	1.8
131.08559	15.7
133.10133	15.7
135.08081	4.3
135.11687	9.9
137.09601	6.0
142.07733	3.0
142.22943	1.3
143.08585	7.6
144.09338	7.5
145.06439	2.0
145.10123	3.7
147.08038	1.3
147.11676	12.0
149.09607	21.4
149.13278	7.1
151.11183	2.1
151.78827	1.4
153.09132	1.9
156.09343	1.3
157.10129	16.2
159.11688	100.0
160.12061	2.5
161.09648	4.6
161.13251	14.1
165.12755	1.8
167.05746	1.5
167.07100	1.5
168.92651	1.2
171.11684	3.6
172.24496	1.3
173.13264	1.9
175.11183	7.9
175.14806	4.1
177.12733	59.2
179.10640	11.4
187.14783	2.5
189.12740	3.2
189.16403	6.5
195.13736	1.6
199.14816	14.3
205.16022	1.7
217.08600	1.5
217.15851	32.3
217.19118	1.5
235.07503	1.4
235.16919	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03939	1.8
55.05492	6.2
65.03952	1.6
67.05491	7.7
69.03411	4.0
69.07055	7.5
70.41551	5.4
70.41965	2.4
70.42648	1.3
70.61967	1.7
71.04979	4.6
71.83710	1.2
72.56417	1.2
79.05475	7.4
81.07056	18.8
83.04948	2.1
83.08593	2.5
85.06535	1.9
85.07024	1.3
85.25819	1.4
89.02837	1.5
91.05464	9.3
93.07042	14.1
95.04949	9.5
95.08599	15.3
97.06504	5.9
99.04446	2.4
105.06371	2.0
105.07027	25.5
107.08588	21.4
109.06506	8.6
109.10137	7.3
111.08082	4.0
117.07001	6.2
119.08577	27.8
121.06490	3.4
121.10139	10.4
123.08096	7.9
123.11649	1.9
125.05961	1.6
125.09634	2.0
129.07008	1.9
131.08566	11.4
133.10109	18.8
135.08049	3.6
135.11684	5.0
137.09563	3.0
142.07759	4.5
143.08556	5.8
144.09306	3.8
145.10112	4.2
147.08107	2.2
147.11681	9.3
149.09608	2.9
149.13263	7.0
157.01451	1.5
157.10121	13.4
159.11682	45.4
161.09622	13.5
161.13248	7.2
167.10704	1.6
171.11671	3.2
173.13364	3.0
175.11174	7.6
175.14830	4.8
177.12723	24.6
179.10712	2.7
189.16362	7.9
191.14294	2.3
193.15804	1.8
199.14780	14.6
205.15768	2.1
207.17413	1.8
217.15857	30.7
218.16199	2.1
235.03641	1.5
235.16913	100.0
236.17253	3.6
243.42096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03936	2.3
55.05505	6.7
57.03416	2.5
57.07084	5.7
59.38970	1.1
67.05502	9.0
69.03414	1.4
69.07059	6.9
69.31033	12.5
71.05003	5.4
75.04467	3.3
77.78089	1.0
79.05483	10.8
80.03532	0.9
81.07054	36.9
83.04978	2.7
83.08604	2.4
85.02918	1.7
85.06533	3.5
91.05473	15.5
93.07038	22.2
95.04955	11.8
95.08591	18.7
97.06525	6.0
98.20792	2.2
103.05432	1.0
105.07028	44.9
107.04945	2.6
107.08589	24.5
109.06509	9.6
109.10144	9.7
111.08083	2.2
115.05440	1.7
117.07004	6.9
119.08572	28.9
121.06484	3.2
121.10124	21.2
123.08080	5.9
123.11694	1.2
124.77584	1.0
125.05963	1.6
125.09529	1.1
128.06223	1.5
129.07013	6.0
130.07864	1.1
131.08559	13.2
133.06468	1.0
133.10117	25.9
135.08026	1.9
135.11679	8.3
137.09590	2.7
139.07478	1.3
142.07779	6.1
143.08531	8.1
144.09352	5.5
145.10135	6.6
147.08000	1.7
147.11681	12.7
149.09579	3.0
149.13237	14.0
151.11159	1.2
156.09348	2.0
157.10121	22.7
159.11684	66.7
160.12007	1.9
161.09607	6.6
161.13245	26.1
163.11203	1.6
167.10733	1.6
171.11684	5.1
173.13231	2.8
175.11191	6.1
175.14847	3.8
177.12735	41.7
178.07837	2.1
179.08493	5.0
179.10622	5.0
187.14815	1.1
189.06978	1.3
189.12726	2.3
189.16350	9.1
191.07028	1.4
195.13820	2.5
199.14827	16.7
207.07985	1.8
217.15877	40.0
217.19125	1.7
222.81485	1.2
235.07614	10.7
235.16916	100.0
236.17274	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	1'-Acetoxychavicol acetate
Peak:m/z	Relative Intensity
55.01868	1.0
55.05511	1.0
57.07074	5.7
57.14364	1.0
61.46809	0.9
62.19097	1.0
64.88237	1.1
67.05498	2.2
69.07063	1.6
79.05486	3.9
81.07061	2.9
90.84540	1.0
91.05477	3.3
93.07065	3.1
95.04985	2.3
95.08567	2.2
103.05463	4.5
105.07026	41.6
106.07325	1.3
107.08570	2.5
109.10119	1.3
115.05458	10.5
118.04133	5.9
119.08582	3.6
119.83178	0.9
121.10101	1.3
131.04953	2.2
132.05687	4.9
133.06488	36.9
133.10104	2.1
134.06813	1.6
143.04913	2.9
143.06070	2.7
146.03619	23.3
146.04741	2.0
147.08081	1.9
157.10168	1.3
159.11722	2.5
160.05240	2.7
161.05974	73.7
161.09596	2.0
163.03915	3.3
171.08084	1.3
175.07535	11.7
177.05362	1.2
178.06244	100.0
179.06621	1.4
179.10725	3.1
189.16356	1.2
191.07069	1.9
192.07829	2.3
193.08595	73.4
194.09012	2.1
194.66577	1.1
199.14821	1.9
203.07018	2.1
207.10146	3.3
211.09613	3.1
217.15910	2.4
235.09650	8.4
235.16898	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01867	0.8
55.05493	2.0
56.12326	0.5
56.96561	23.3
57.03434	2.5
57.07069	0.7
61.02920	2.9
62.71974	0.5
69.03423	2.7
69.73665	2.5
69.74082	1.4
70.50873	0.5
70.98116	0.7
71.04974	1.6
71.95267	0.9
72.96049	1.0
73.02921	3.4
81.03409	2.4
83.04981	1.5
84.96027	0.8
85.02912	4.4
87.04473	2.5
94.06567	2.5
97.02880	2.0
97.96800	1.7
98.97581	14.7
99.04448	1.3
100.05225	0.5
100.99156	0.8
101.00877	4.1
103.00645	1.8
107.08578	0.5
109.02888	1.3
110.97552	1.7
112.99126	67.5
114.06739	0.6
116.98615	7.8
117.02081	1.0
119.00188	1.0
119.01906	9.9
120.01962	0.6
121.01639	4.1
121.06584	0.6
123.02051	0.7
124.99061	0.7
126.02546	1.5
127.03914	1.5
127.82449	0.5
128.02327	0.6
128.64233	0.5
128.98619	1.2
129.02061	1.0
131.00160	100.0
133.03415	1.7
134.99661	2.2
135.03136	3.3
137.02882	0.9
139.02675	1.0
142.03638	0.5
143.00148	1.6
143.01903	1.0
144.98102	0.6
145.01736	1.4
145.03445	4.7
146.99646	1.3
147.03152	5.6
149.01212	59.0
150.01701	1.3
151.04416	0.6
154.01743	3.4
155.00085	0.7
157.01727	1.2
157.03433	3.0
158.99652	1.6
159.03203	1.2
161.01187	1.2
161.02962	2.6
162.03200	0.5
162.99190	0.7
163.02747	2.4
163.04431	1.6
165.00636	0.9
165.04233	1.5
167.02246	5.4
169.04492	1.2
170.99692	1.2
172.02821	2.7
173.01230	1.6
173.02771	0.8
174.99072	0.9
175.02779	7.7
175.04477	2.3
176.03371	0.7
177.00726	1.2
177.04286	2.0
178.04970	1.1
182.99736	0.9
184.04877	1.2
187.04504	1.1
188.97040	1.0
189.00703	1.8
189.04268	0.6
191.02271	1.1
193.00194	1.5
193.03841	17.3
193.05518	0.7
198.04596	0.9
201.00644	0.9
205.03798	0.9
205.05443	3.2
205.55643	0.7
207.01787	1.5
211.04915	8.9
211.06699	1.0
214.05946	6.3
214.56152	1.1
215.06192	0.5
216.05476	0.7
217.05690	1.0
219.01761	0.9
234.06230	0.7
234.57289	0.6
235.04874	17.5
235.06708	8.4
235.16937	2.1
236.06996	0.7
237.02919	0.8
249.08301	1.2
253.05884	9.1
253.08324	0.6
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
50.06591	0.2
53.03954	0.4
55.05509	1.4
56.96568	0.5
57.03434	1.7
57.07101	0.3
67.05488	0.4
70.89993	0.6
71.85909	0.3
79.05508	1.7
81.07052	4.8
83.63197	0.3
91.05482	0.9
92.05838	0.5
92.91411	0.3
93.07053	0.9
94.04046	1.5
94.07328	0.3
95.04972	0.7
95.08608	0.8
97.06507	0.3
98.06870	0.5
98.97597	1.2
99.08115	0.3
100.49971	0.3
103.05479	0.6
105.07026	2.3
106.07349	0.6
107.08595	0.9
109.06537	0.4
109.10163	0.5
112.05029	0.3
116.98637	0.5
117.07020	0.4
119.03552	2.4
119.08583	1.6
120.08089	3.1
120.08867	0.4
121.10076	0.3
131.08574	0.5
132.08052	0.4
133.10123	1.0
135.11693	0.6
136.06177	100.0
137.04588	2.6
137.06549	0.9
143.08487	0.4
145.10068	0.9
146.06000	0.8
146.10483	0.8
147.11626	0.7
148.06078	0.3
148.12001	0.4
157.10066	0.7
158.10501	0.3
158.99623	0.4
159.11705	1.9
160.12025	0.6
161.09596	0.4
161.13281	0.5
174.13589	0.4
177.00677	0.5
177.11432	0.5
177.12766	0.7
188.07053	0.3
188.15152	0.6
189.16344	0.3
190.08603	0.8
190.10840	1.5
206.08162	0.3
216.14674	0.9
217.15819	0.9
230.25211	0.2
234.13449	59.7
235.13812	0.9
235.16971	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01859	1.2
55.05503	3.0
57.03434	5.4
67.05489	5.0
69.03423	3.1
69.07055	2.7
70.98171	3.0
71.04974	2.2
75.04476	4.9
79.05500	6.6
80.18572	1.2
81.07057	13.6
83.04971	3.7
84.90598	1.0
91.05475	11.2
93.07037	13.1
95.04993	6.2
95.08587	5.1
97.06519	3.4
105.07027	30.0
107.04927	2.0
107.08597	12.9
108.79971	1.1
109.06552	5.9
109.10153	2.6
111.08066	1.4
115.05404	1.9
117.07014	11.7
119.05040	1.4
119.07796	1.7
119.08588	16.9
121.06512	4.1
121.10149	3.0
123.08070	2.5
129.06960	7.6
130.07768	3.6
131.08575	21.3
132.08865	1.2
133.06564	2.0
133.10141	17.2
135.08037	4.7
135.11685	2.0
136.06181	11.6
137.09621	1.7
141.07034	2.3
142.07790	11.2
143.08595	7.3
143.32552	1.2
144.09367	8.4
145.06467	2.3
145.10120	27.4
147.08040	4.6
147.11693	7.4
149.09602	3.9
149.13237	1.3
153.09084	1.4
155.08551	3.4
156.09337	4.3
157.10127	27.1
158.07312	1.6
158.10806	1.1
159.08067	5.7
159.11693	51.1
160.08891	1.5
161.09608	3.0
161.13242	2.9
163.11169	3.0
167.08586	1.8
167.14349	1.2
169.10144	3.8
171.11732	4.5
173.09607	12.4
173.13261	12.0
175.11183	27.0
177.09079	2.6
177.12704	3.3
180.38577	1.1
182.10892	4.3
187.11165	1.2
187.14847	12.8
189.12720	3.8
191.14299	2.6
197.13281	7.4
200.11917	2.3
203.10817	2.4
203.14293	1.3
205.15843	2.6
215.10876	1.3
215.14326	33.5
233.11589	2.9
233.15367	100.0
234.13490	5.4
234.15669	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25628	0.3
55.05509	0.8
57.03430	1.8
57.22373	0.3
59.73273	0.3
64.05447	0.3
67.05491	0.4
70.41341	1.2
79.05499	1.5
81.07050	5.1
82.07423	0.3
91.05511	0.5
94.04073	0.9
95.04974	0.4
95.08601	0.5
105.07027	0.8
106.07367	0.4
107.08575	0.5
109.05143	0.4
109.06536	0.3
118.07320	0.4
119.03561	2.4
119.08604	0.7
128.44427	0.3
136.06181	100.0
137.04575	2.2
137.06552	0.6
146.10474	0.5
148.06131	0.3
149.09540	0.3
150.10011	0.3
150.53293	0.3
159.11690	0.5
160.12071	0.5
161.13310	0.3
167.10689	0.7
176.11540	0.5
177.12781	0.3
177.59128	0.3
188.15181	0.5
189.16447	0.4
190.10834	1.5
199.14830	0.3
216.14619	0.6
217.15913	0.6
234.13496	67.1
235.13834	1.3
235.16968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
54.61535	1.1
55.05498	3.4
57.03426	5.2
60.04495	1.6
67.05500	5.8
69.03409	2.9
69.07056	3.0
71.04979	2.3
71.09266	3.6
75.04459	3.4
77.13334	1.3
77.19442	1.2
79.05482	7.6
81.07055	15.5
83.04967	4.0
86.09675	3.4
91.05473	12.8
91.09310	1.0
93.07046	10.4
95.04975	5.7
95.08575	6.2
97.06509	4.0
103.05501	1.7
105.07024	25.9
107.04916	1.7
107.08584	13.0
109.06480	4.5
109.10123	1.7
115.05449	2.3
117.07015	14.3
119.08576	17.7
121.06512	3.2
121.10112	3.1
123.08058	2.3
128.06224	1.5
129.06992	7.2
130.07768	2.1
131.08554	24.8
133.06497	1.3
133.10107	11.7
135.08037	5.0
135.11700	1.4
136.06174	17.1
137.09590	1.6
141.07007	1.7
142.07809	9.1
143.08553	4.2
144.09320	9.4
145.06491	3.5
145.10115	24.3
146.11699	1.9
147.08037	3.6
147.11691	5.7
149.05965	1.3
149.09669	2.0
153.07001	1.2
153.09079	1.2
154.07797	1.2
155.08553	4.4
156.09334	2.1
157.10112	19.1
158.10887	1.8
159.08119	6.0
159.11687	55.2
160.08795	2.5
161.09563	3.4
161.13249	2.8
163.00655	1.4
163.11176	2.2
167.08528	1.7
169.10100	3.2
171.11667	3.6
172.08850	1.5
173.09604	11.4
173.13242	8.2
175.11194	20.2
177.12679	2.0
182.10895	3.2
187.14848	11.3
189.12746	2.7
191.14243	1.5
197.13219	7.8
200.11971	2.7
203.10635	2.3
205.15843	2.7
215.10797	2.4
215.14296	37.6
233.11697	4.8
233.15355	100.0
234.13577	11.9
234.15685	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	234.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
57.07044	0.4
57.90138	0.2
58.23001	0.3
60.26237	0.2
67.05498	0.3
69.03435	0.3
69.07054	0.7
70.08337	0.3
71.63569	0.4
79.05470	0.8
80.05839	0.4
81.07042	0.6
81.53588	0.3
91.05488	1.3
92.05830	0.6
93.07065	0.4
95.05030	0.4
97.06535	2.4
98.06860	1.6
100.11302	0.3
105.07059	0.5
107.08588	0.4
118.07366	0.3
118.08680	0.3
119.04964	0.3
119.08553	0.4
120.05239	0.3
121.10093	0.5
131.08617	0.3
132.08896	0.3
133.06548	0.3
133.10092	0.4
137.05936	1.0
138.06355	1.3
141.96976	0.3
142.10902	0.4
146.10451	0.5
150.06346	0.3
158.73911	0.3
159.11775	0.3
160.11932	0.3
165.07042	0.7
176.06154	0.4
177.06979	0.9
177.12747	0.3
178.07748	2.3
179.08568	3.3
189.06958	3.2
190.07764	6.8
190.09416	0.6
191.08554	57.7
192.08958	1.6
202.07770	2.2
203.08556	10.2
204.09142	0.9
205.06439	0.9
205.10181	1.3
207.08031	1.6
216.11063	0.9
216.14484	0.4
217.06517	0.4
218.07283	3.0
219.08043	48.8
220.08420	1.6
233.09605	7.5
234.10374	100.0
235.07516	6.2
235.10803	3.7
235.16986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03925	4.7
55.01868	9.5
55.05509	13.8
57.03434	8.5
57.07075	2.3
65.03934	3.5
67.05504	20.0
67.34897	1.4
69.03425	7.2
69.07068	24.6
70.42303	6.4
71.04980	5.6
76.02209	3.1
77.84142	1.4
79.05491	38.8
81.03410	3.4
81.07056	39.0
83.04971	19.3
85.06525	5.0
91.05482	65.2
93.07041	33.5
94.08958	1.4
95.04964	19.6
95.08612	20.7
97.06529	97.9
99.04471	3.2
101.26379	1.5
103.05442	4.2
105.07030	51.8
107.04933	7.9
107.08592	41.1
109.02884	3.2
109.06524	14.2
109.10152	11.0
111.04473	4.2
115.05444	9.6
116.06207	1.7
117.07014	24.4
119.04944	16.7
119.08575	34.1
121.06515	11.4
121.10138	10.6
123.04424	4.5
123.08094	9.2
123.11671	3.1
125.05982	1.9
125.09614	3.6
128.06229	8.2
129.07013	13.0
130.07779	6.2
131.04912	6.4
131.08574	37.4
132.05603	2.0
133.06473	12.9
133.10132	28.6
135.04417	4.0
135.08051	15.1
135.11665	5.5
137.05975	74.0
137.09581	5.2
141.06947	9.4
142.07802	10.0
143.08545	15.7
144.01503	1.9
144.05649	2.3
144.09256	6.3
145.06491	23.0
145.10118	49.1
146.07216	1.7
147.04405	10.9
147.08047	5.6
147.11707	14.8
149.05960	11.8
149.09578	5.2
149.13266	2.2
151.11159	6.2
153.06985	3.3
153.09055	2.1
154.07790	6.5
155.05992	2.1
155.08539	11.0
156.09334	6.7
157.06520	4.2
157.10115	25.9
158.07272	9.8
159.04376	4.8
159.08084	20.4
159.11688	41.8
160.05167	5.7
160.08784	2.0
161.05980	8.7
161.09612	6.8
161.13240	4.9
163.03909	4.3
163.07507	5.4
163.11150	6.0
167.07057	3.8
167.08484	3.0
169.06471	3.2
169.10121	12.0
171.04321	2.9
171.07982	2.3
171.11676	13.0
172.05087	1.7
172.08830	3.6
173.05988	14.4
173.09622	17.7
173.13292	10.6
174.06657	1.8
175.07481	1.9
175.11186	19.3
177.09137	4.2
179.03473	2.4
182.07285	1.8
182.10925	8.1
185.05965	3.9
185.09686	1.6
185.13257	2.6
186.06789	5.8
187.07503	4.3
187.11174	10.3
187.14832	37.3
189.09109	24.0
189.12732	16.4
191.03384	18.5
191.07036	6.5
191.10611	2.1
191.14294	5.1
197.09543	3.5
197.13240	15.9
200.08376	3.0
200.11906	1.8
203.14438	2.0
205.12149	4.0
205.15869	6.4
215.07034	6.7
215.10696	86.1
215.14243	50.1
233.06018	2.4
233.08267	8.6
233.11717	62.4
233.15350	100.0
233.18945	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.95026	1.3
55.01859	1.7
55.05490	5.0
57.03421	4.2
57.07072	4.1
67.05505	12.9
69.03416	4.2
69.07047	3.1
70.89415	3.1
70.89790	2.4
71.04982	4.9
75.04465	2.9
79.05495	11.1
81.07059	22.1
83.04990	2.4
85.02882	2.1
85.06538	17.0
91.05484	15.1
93.07034	14.2
95.04962	11.7
95.08597	11.0
97.06522	6.1
105.07024	37.6
107.08586	20.3
109.06532	9.3
109.10162	4.7
111.08085	2.4
113.06004	1.5
116.06161	1.6
117.07012	15.0
119.08576	25.9
121.06509	6.0
121.10159	7.9
123.08045	4.5
125.09590	1.7
128.06285	1.6
129.06996	9.4
130.07800	2.6
131.08566	29.1
133.06474	1.6
133.10130	20.4
135.08043	8.0
135.11707	3.1
135.34273	1.7
137.09605	3.4
137.58095	1.3
141.06969	2.8
142.07782	16.5
143.08569	8.9
144.09360	7.2
145.06474	2.7
145.09021	2.6
145.10109	34.6
147.08029	6.8
147.11659	11.4
148.11957	1.3
149.09637	7.2
153.09138	2.1
155.08553	4.7
156.09338	3.9
157.10123	33.7
158.07109	2.2
158.10934	2.4
159.08070	9.9
159.11691	49.7
161.09608	4.2
161.13264	2.4
163.11208	4.3
167.08588	3.1
169.10150	5.8
171.11673	5.5
173.09631	13.0
173.13271	15.4
175.11179	38.3
177.12720	4.0
182.10933	6.6
185.09532	3.1
185.13330	2.0
186.10388	1.7
187.11195	3.9
187.14822	18.6
189.12766	4.9
191.14272	2.9
197.13245	9.1
203.10683	1.9
205.15860	6.3
215.11003	1.6
215.14311	46.1
233.15363	100.0
234.15726	2.5
240.45470	1.3
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	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
51.01227	0.6
51.10995	0.5
53.03921	1.4
55.01849	0.6
55.05506	4.4
57.07058	1.1
57.08979	0.5
62.28539	0.5
67.05499	8.4
67.91200	0.7
69.07056	5.1
71.03028	1.7
73.02900	0.9
78.76474	0.5
79.05483	9.9
81.07052	23.3
83.04987	1.0
83.08601	1.5
89.57735	0.6
91.05473	17.5
93.07037	19.1
95.04961	1.8
95.08600	20.4
97.06503	1.4
103.05433	1.3
105.07019	31.9
107.04955	0.9
107.08585	15.7
109.06505	1.3
109.10155	5.3
111.08056	0.8
115.05430	1.1
116.06234	1.2
117.07004	10.3
119.04900	1.0
119.08570	17.2
119.09871	0.7
120.49159	0.7
121.06477	2.0
121.10136	5.4
123.08063	1.1
125.05968	1.7
129.06981	2.2
130.07761	2.2
131.08557	37.5
133.06490	1.5
133.10138	10.0
135.04381	0.9
135.08008	1.6
135.11684	1.2
137.05951	2.5
139.07520	2.6
143.08577	4.0
144.09320	1.3
145.06508	1.3
145.10109	38.7
147.11662	7.9
149.05969	2.1
149.09586	1.0
149.13243	0.8
151.07520	2.7
155.08524	2.8
156.09248	1.4
157.10106	2.9
158.10854	1.2
159.08052	3.9
159.11688	20.9
159.33826	0.6
161.13232	14.6
163.07568	4.1
165.09119	0.9
167.08559	1.2
169.10100	2.6
171.11688	2.3
172.12531	1.7
172.92966	0.7
173.09561	3.5
173.13211	1.6
177.09094	8.3
182.10933	2.2
183.11589	0.6
183.13963	0.6
185.13269	1.1
187.11220	2.6
187.14807	100.0
188.15210	2.2
189.16347	1.8
191.10687	1.7
197.13214	7.5
198.05185	0.6
205.15913	3.7
215.14288	23.0
233.15349	41.2
234.15773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Sinodielide A
Peak:m/z	Relative Intensity
55.05499	0.8
56.01866	0.6
67.05473	1.4
69.07063	1.3
70.09602	3.5
79.05496	2.0
81.07050	10.9
83.05002	0.7
83.08594	0.7
83.99854	0.5
91.05460	3.6
93.07051	3.8
93.28529	0.6
95.04931	0.6
95.08588	5.7
97.06512	0.9
98.20781	0.7
103.05436	0.7
105.07011	9.5
107.08572	4.5
109.06531	1.0
115.05393	0.7
116.06252	0.7
117.07027	8.1
119.08568	6.7
121.06517	1.5
121.10163	1.3
123.08045	0.6
129.07014	3.2
130.07790	1.0
131.08560	19.0
133.10127	2.2
139.07524	0.8
142.07721	1.3
143.08536	2.3
144.09309	5.5
145.10115	11.8
153.09076	1.6
157.10127	6.3
158.10905	1.2
159.11684	100.0
160.12381	2.9
172.12479	1.0
173.13278	0.9
177.09157	3.9
177.12726	1.7
184.66943	0.6
187.14815	31.5
191.10634	0.7
205.15831	0.7
215.14333	2.7
232.62497	0.8
233.15341	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	233.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04869	1.3
50.75799	1.1
53.03933	2.0
55.01862	2.3
55.05493	6.7
55.62659	1.3
56.85941	1.4
57.07069	2.2
58.75997	1.4
62.16197	1.5
67.05497	11.4
69.03419	6.0
69.07066	8.5
70.34242	4.9
71.04988	11.0
79.05489	16.1
81.07053	24.3
81.53901	1.5
83.04957	4.0
83.08601	1.9
83.84536	1.4
85.06515	5.5
91.05475	31.2
93.07034	23.9
95.04961	23.2
95.08601	16.6
97.06531	20.9
105.07022	50.5
107.04961	2.1
107.08584	23.8
109.06510	17.6
109.10134	6.0
109.81630	1.4
111.08025	1.8
115.05431	3.4
117.07014	18.1
119.04914	3.5
119.08572	37.6
121.06522	9.6
121.10139	5.8
123.08038	6.0
125.05952	2.0
125.09624	4.3
128.06216	5.9
129.06984	14.5
130.07765	5.4
131.08553	27.6
133.06487	5.8
133.10138	16.0
135.08057	9.0
135.11717	2.7
137.05984	15.7
137.09592	5.9
138.06190	1.5
139.07536	1.7
141.06989	7.3
142.07776	29.5
143.08551	10.4
144.09375	3.1
145.06505	8.1
145.09026	3.1
145.10114	42.1
145.11264	2.2
147.08035	7.0
147.11685	22.4
149.06020	1.8
149.09657	2.2
155.08528	10.6
156.09317	3.1
157.10121	74.5
158.07280	5.0
158.10847	3.5
159.08060	21.3
159.11691	36.9
160.08784	4.9
161.09647	2.3
162.10533	1.8
163.11191	6.5
165.09143	2.5
167.08589	1.7
168.09366	1.8
169.10120	5.1
171.11662	7.1
173.09624	29.4
173.13217	17.7
175.11179	100.0
176.11658	1.6
177.09138	3.5
182.10915	5.7
185.26527	1.4
187.11197	4.2
187.14833	31.2
189.09007	1.6
189.12715	5.6
191.03363	2.1
191.14357	2.9
196.32326	1.4
197.13261	14.7
201.09120	6.2
203.14233	2.7
205.15855	3.5
215.10831	2.6
215.14297	42.9
233.11983	9.2
233.15353	95.8
234.15654	2.2
243.31487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03919	2.9
55.01861	2.4
55.05508	10.1
57.03424	1.9
57.07074	2.0
58.35827	1.8
65.03927	2.1
67.05217	1.6
67.05504	20.3
69.03415	4.3
69.07060	6.2
70.73383	6.2
71.04991	3.8
71.18773	1.7
77.03888	1.5
79.05485	17.3
81.07050	34.5
83.04972	28.9
83.08587	1.9
83.41675	1.4
85.06535	2.4
91.05473	27.3
93.07040	35.6
93.21181	1.7
93.73740	1.6
95.04356	2.2
95.04964	39.8
95.08601	23.8
97.06522	21.0
99.04442	4.0
105.07023	35.7
107.04941	3.9
107.08592	35.4
109.06528	11.2
109.10150	25.7
111.04430	4.7
111.08070	8.0
115.05437	2.9
117.07011	14.9
119.04932	3.2
119.08567	30.5
121.06480	6.8
121.10136	8.7
123.04454	2.8
123.08064	19.7
123.11659	1.7
128.06236	3.0
129.06987	5.5
130.07774	4.2
131.08549	25.6
133.06497	3.4
133.10107	16.8
135.08031	9.5
135.11670	5.1
137.05997	12.2
137.09607	9.4
141.07024	3.9
142.07744	6.0
143.08569	9.6
144.09262	3.1
145.06448	4.3
145.10114	40.3
147.08041	4.2
147.11711	12.5
149.09546	7.8
151.11180	3.9
155.08536	13.2
156.09331	6.8
157.10097	16.3
158.07208	3.3
158.10985	2.2
159.08067	10.5
159.11697	31.6
161.09650	2.4
161.13281	3.7
163.11116	3.9
167.08531	4.7
169.10147	5.5
171.11668	17.8
173.09616	13.0
173.13286	12.5
175.11192	17.1
177.09180	4.3
182.10922	5.4
185.13214	4.1
187.11214	3.4
187.14876	29.3
189.09019	1.5
189.12761	7.8
191.03371	1.8
191.14333	1.6
197.13229	18.6
201.09238	2.0
203.14322	6.2
205.15887	6.4
215.10773	3.2
215.14310	47.4
233.11682	7.2
233.15363	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.9
55.01858	1.7
55.05504	6.0
57.03423	1.4
57.07064	1.4
67.05502	8.1
69.03420	3.6
69.07056	6.6
70.16558	5.4
71.04988	3.9
79.05492	13.7
79.56825	1.0
81.07057	19.9
83.04979	2.5
85.06547	1.2
91.05473	22.0
93.07038	19.0
95.04966	8.8
95.08604	14.6
97.06532	9.6
98.21481	1.7
99.04498	1.5
103.05480	1.6
105.07022	30.5
107.04958	3.6
107.08591	14.1
109.06503	5.6
109.10148	3.9
111.04475	2.2
115.05442	2.3
116.06257	1.4
117.07027	13.5
119.04922	2.5
119.08570	17.3
121.06484	4.0
121.07247	1.2
121.10151	7.2
123.08081	2.6
125.09622	1.2
128.06230	3.9
129.07005	10.1
130.07826	7.2
131.08566	31.9
132.08859	1.5
133.06477	3.4
133.10143	8.9
135.08035	4.5
135.11668	4.7
137.05984	8.5
137.09598	2.2
141.07008	2.9
142.07777	7.5
143.08537	15.8
144.09291	2.1
145.06454	3.8
145.10123	48.6
147.08051	4.3
147.11682	9.4
149.09650	2.4
151.03252	2.9
153.06990	2.0
154.07652	1.3
155.08543	12.5
156.09338	3.8
157.10138	14.3
158.07318	6.0
158.10916	1.5
159.08072	10.1
159.11705	24.0
161.09636	2.7
161.13239	2.3
163.11148	2.4
167.08542	3.2
169.10109	7.4
171.11763	5.8
173.09631	17.9
173.13264	10.2
175.11154	10.7
177.09105	3.8
177.12715	1.7
182.10912	7.4
185.13292	9.1
187.11241	5.8
187.14870	25.0
189.09163	2.3
189.12672	5.1
191.10655	2.2
191.14291	1.5
197.13243	13.2
200.11919	1.4
201.09084	7.8
203.14337	4.7
205.15845	2.9
215.10968	1.4
215.14313	34.1
215.16304	2.4
233.12027	7.9
233.15363	100.0
234.15671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17687	0.5
55.71624	0.7
56.96561	5.6
57.26568	0.5
70.43002	2.1
78.58670	0.6
82.99856	1.8
84.96002	0.7
100.99137	2.6
101.00874	12.7
112.95161	0.6
115.02445	2.8
119.01917	41.7
120.02001	1.7
127.02407	8.0
128.98630	1.4
131.01889	1.8
133.03471	13.1
134.03561	0.8
137.02942	8.0
142.03485	1.8
143.01897	5.7
144.98097	1.1
145.03461	100.0
146.03574	2.2
146.99634	1.4
151.04526	1.9
157.03456	13.8
161.02968	17.7
161.04309	1.0
162.98930	0.7
163.04521	36.8
164.04758	1.1
165.00743	1.8
168.05048	3.2
170.84323	0.6
173.02959	20.2
175.04521	39.6
176.04660	1.5
179.03937	1.1
183.01692	0.6
185.03012	0.7
186.06117	1.2
187.04552	3.8
190.98662	1.7
191.04008	69.3
192.04108	2.3
197.01218	0.7
198.06174	1.5
203.03967	2.0
205.05586	1.7
208.99690	3.5
209.05106	0.8
214.05623	3.5
215.03864	0.7
233.05029	22.3
251.06184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50294	0.4
54.78112	0.3
56.96559	7.6
70.43626	0.8
70.44031	0.8
82.99804	2.2
84.96022	0.5
85.01396	0.5
91.56007	0.4
98.97575	0.8
100.99148	2.2
101.00868	21.9
102.00959	0.7
103.02445	0.6
105.00336	0.3
110.97582	1.0
115.02428	4.9
119.00143	1.6
119.01912	58.1
120.02006	1.4
121.03513	0.5
126.97056	0.6
127.02395	8.3
128.98610	1.7
131.01906	2.3
133.03458	20.7
134.03639	0.5
134.99696	0.4
137.02937	10.9
142.03505	1.4
143.00191	0.5
143.01883	4.6
144.98068	1.4
145.03452	100.0
146.03590	2.6
146.99652	1.4
147.04997	0.7
149.02933	0.7
149.78276	0.4
151.04514	2.8
151.39882	0.4
155.01872	1.1
157.03453	15.0
158.03500	0.5
159.04991	0.5
161.02956	18.1
161.04308	0.9
162.99129	1.6
163.04512	38.0
164.04642	0.8
165.00677	1.3
168.05032	3.2
169.09309	0.5
171.05025	0.4
173.02950	21.8
174.02994	0.5
175.04512	38.8
176.04649	1.0
179.03960	1.1
183.01741	0.4
185.02879	0.9
186.06142	0.9
187.04498	4.2
189.06093	0.5
190.98682	3.4
191.03995	80.1
192.04205	1.8
198.06105	1.4
203.03954	1.7
205.05565	1.6
206.01794	0.4
208.99680	5.0
209.04988	0.9
214.05569	3.7
215.03938	1.3
218.99295	0.5
221.05093	0.8
233.05017	29.7
234.05261	0.6
251.06113	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	233.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	1.8
55.05505	3.1
56.05031	4.2
56.96563	100.0
57.03440	3.8
57.07074	0.9
58.06587	0.9
59.04973	0.9
59.31743	0.8
60.04526	1.3
60.95856	1.7
61.02932	2.3
67.05514	2.5
69.03423	4.2
69.75549	4.7
70.06583	5.9
70.98115	2.3
71.01380	0.9
71.05003	2.2
71.95271	2.1
72.08150	5.2
72.96038	1.0
73.02921	3.1
73.06548	1.3
74.06078	22.3
74.97622	2.4
79.05479	1.7
79.42445	0.7
81.03431	2.0
81.07063	2.1
83.04989	1.8
84.04514	2.2
84.08155	3.3
84.96029	5.1
85.02911	5.9
85.06528	1.3
86.09708	8.4
87.04461	1.1
88.04007	0.9
88.07616	5.5
88.99170	1.6
89.00813	1.5
91.05505	2.0
95.01379	0.8
95.04971	1.1
95.08646	1.0
97.02881	5.6
97.06538	0.9
97.99200	1.2
98.20782	0.8
98.97580	68.6
99.04444	1.9
100.99139	14.2
100.99747	0.9
101.00865	6.3
102.97059	1.1
103.00717	1.1
103.02457	2.0
105.07072	1.0
105.78268	0.8
107.04919	1.0
107.08599	1.3
109.02886	1.3
110.07156	1.8
110.97576	5.0
111.04472	0.8
112.99155	2.4
113.06000	1.5
115.00710	2.0
115.02429	1.9
115.03918	0.9
116.98618	70.8
117.07072	1.2
118.98234	0.9
119.00186	14.7
119.01917	32.7
119.08632	1.1
120.01910	0.8
121.01653	4.3
121.03529	1.0
121.10173	1.0
127.00705	3.2
127.02469	0.9
127.03913	1.6
128.02399	1.8
128.07077	1.6
128.98605	10.6
130.08688	0.8
131.00180	7.2
131.01924	3.3
131.03555	1.0
131.08598	1.2
131.99747	1.0
132.10204	3.7
133.01799	3.7
133.03465	12.9
133.10164	1.0
134.99654	61.2
137.01257	3.0
137.02928	9.5
137.05975	0.9
139.02699	1.2
140.00157	3.8
140.98611	1.1
142.01784	1.4
142.03497	1.4
143.00189	4.2
143.01910	2.6
143.03796	1.3
144.98045	3.6
145.01761	18.0
145.03499	31.4
145.06508	1.3
145.10175	1.4
146.03587	1.0
146.06007	0.8
146.99637	12.8
147.03305	3.2
147.08073	1.1
148.03896	2.0
149.01228	9.7
149.02394	1.0
149.02913	1.2
150.96918	1.2
151.02849	1.2
151.04483	4.7
153.00705	12.1
154.02022	1.0
155.04671	1.7
157.03494	4.7
158.01282	4.2
158.99686	2.9
159.06583	1.4
159.11766	1.3
160.99860	0.6
161.01271	18.9
161.02983	12.8
161.04822	7.8
162.99115	9.0
163.02829	31.0
163.04544	12.7
165.00702	18.5
165.04364	1.5
167.00388	0.9
167.02322	2.2
168.03456	1.0
168.05312	2.4
170.99661	1.1
172.97621	1.9
173.01294	4.2
173.03017	9.6
173.04868	2.0
174.99207	2.1
175.02939	1.5
175.04520	14.0
175.11256	1.0
177.00751	4.3
177.02222	1.0
177.04350	0.9
177.05983	1.1
179.02318	6.6
179.03903	1.3
179.05946	3.3
181.00311	2.1
181.03857	7.2
182.99596	1.0
183.00035	1.2
183.01775	12.9
184.02867	1.5
186.04440	1.8
186.99182	2.0
187.00844	0.8
187.02849	2.0
187.04593	2.9
187.14520	2.8
188.02260	1.1
189.00682	15.4
189.04361	1.7
189.05974	1.1
190.95503	2.4
190.98653	10.5
191.02312	12.3
191.04073	27.5
191.05957	4.2
193.00165	4.4
195.01723	1.2
198.06099	1.0
201.00801	2.0
201.02715	0.9
203.04062	1.1
205.03870	2.9
206.03473	1.0
207.01764	42.2
208.96611	1.3
208.99718	19.3
209.03261	7.0
209.05132	1.1
209.07050	2.0
210.04398	1.7
214.05698	1.7
214.07516	0.8
215.03964	1.2
215.10811	1.1
215.14264	1.7
219.01871	2.5
221.03297	1.4
223.01347	0.8
225.02812	4.7
227.00876	2.5
230.03325	5.1
232.01395	1.6
232.96623	2.2
232.99789	2.5
233.03285	3.3
233.05132	14.3
233.07072	2.8
233.12292	2.1
233.15286	5.9
233.19081	1.4
237.02962	2.6
250.97594	1.8
251.00432	1.5
251.04430	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	1.8
55.05505	3.1
56.05031	4.2
56.96563	100.0
57.03440	3.8
57.07074	0.9
58.06587	0.9
59.04973	0.9
59.31743	0.8
60.04526	1.3
60.95856	1.7
61.02932	2.3
67.05514	2.5
69.03423	4.2
69.75549	4.7
70.06583	5.9
70.98115	2.3
71.01380	0.9
71.05003	2.2
71.95271	2.1
72.08150	5.2
72.96038	1.0
73.02921	3.1
73.06548	1.3
74.06078	22.3
74.97622	2.4
79.05479	1.7
79.42445	0.7
81.03431	2.0
81.07063	2.1
83.04989	1.8
84.04514	2.2
84.08155	3.3
84.96029	5.1
85.02911	5.9
85.06528	1.3
86.09708	8.4
87.04461	1.1
88.04007	0.9
88.07616	5.5
88.99170	1.6
89.00813	1.5
91.05505	2.0
95.01379	0.8
95.04971	1.1
95.08646	1.0
97.02881	5.6
97.06538	0.9
97.99200	1.2
98.20782	0.8
98.97580	68.6
99.04444	1.9
100.99139	14.2
100.99747	0.9
101.00865	6.3
102.97059	1.1
103.00717	1.1
103.02457	2.0
105.07072	1.0
105.78268	0.8
107.04919	1.0
107.08599	1.3
109.02886	1.3
110.07156	1.8
110.97576	5.0
111.04472	0.8
112.99155	2.4
113.06000	1.5
115.00710	2.0
115.02429	1.9
115.03918	0.9
116.98618	70.8
117.07072	1.2
118.98234	0.9
119.00186	14.7
119.01917	32.7
119.08632	1.1
120.01910	0.8
121.01653	4.3
121.03529	1.0
121.10173	1.0
127.00705	3.2
127.02469	0.9
127.03913	1.6
128.02399	1.8
128.07077	1.6
128.98605	10.6
130.08688	0.8
131.00180	7.2
131.01924	3.3
131.03555	1.0
131.08598	1.2
131.99747	1.0
132.10204	3.7
133.01799	3.7
133.03465	12.9
133.10164	1.0
134.99654	61.2
137.01257	3.0
137.02928	9.5
137.05975	0.9
139.02699	1.2
140.00157	3.8
140.98611	1.1
142.01784	1.4
142.03497	1.4
143.00189	4.2
143.01910	2.6
143.03796	1.3
144.98045	3.6
145.01761	18.0
145.03499	31.4
145.06508	1.3
145.10175	1.4
146.03587	1.0
146.06007	0.8
146.99637	12.8
147.03305	3.2
147.08073	1.1
148.03896	2.0
149.01228	9.7
149.02394	1.0
149.02913	1.2
150.96918	1.2
151.02849	1.2
151.04483	4.7
153.00705	12.1
154.02022	1.0
155.04671	1.7
157.03494	4.7
158.01282	4.2
158.99686	2.9
159.06583	1.4
159.11766	1.3
160.99860	0.6
161.01271	18.9
161.02983	12.8
161.04822	7.8
162.99115	9.0
163.02829	31.0
163.04544	12.7
165.00702	18.5
165.04364	1.5
167.00388	0.9
167.02322	2.2
168.03456	1.0
168.05312	2.4
170.99661	1.1
172.97621	1.9
173.01294	4.2
173.03017	9.6
173.04868	2.0
174.99207	2.1
175.02939	1.5
175.04520	14.0
175.11256	1.0
177.00751	4.3
177.02222	1.0
177.04350	0.9
177.05983	1.1
179.02318	6.6
179.03903	1.3
179.05946	3.3
181.00311	2.1
181.03857	7.2
182.99596	1.0
183.00035	1.2
183.01775	12.9
184.02867	1.5
186.04440	1.8
186.99182	2.0
187.00844	0.8
187.02849	2.0
187.04593	2.9
187.14520	2.8
188.02260	1.1
189.00682	15.4
189.04361	1.7
189.05974	1.1
190.95503	2.4
190.98653	10.5
191.02312	12.3
191.04073	27.5
191.05957	4.2
193.00165	4.4
195.01723	1.2
198.06099	1.0
201.00801	2.0
201.02715	0.9
203.04062	1.1
205.03870	2.9
206.03473	1.0
207.01764	42.2
208.96611	1.3
208.99718	19.3
209.03261	7.0
209.05132	1.1
209.07050	2.0
210.04398	1.7
214.05698	1.7
214.07516	0.8
215.03964	1.2
215.10811	1.1
215.14264	1.7
219.01871	2.5
221.03297	1.4
223.01347	0.8
225.02812	4.7
227.00876	2.5
230.03325	5.1
232.01395	1.6
232.96623	2.2
232.99789	2.5
233.03285	3.3
233.05132	14.3
233.07072	2.8
233.12292	2.1
233.15286	5.9
233.19081	1.4
237.02962	2.6
250.97594	1.8
251.00432	1.5
251.04430	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	231.138
Annotation	Kauniolide
Peak:m/z	Relative Intensity
55.01850	1.7
55.05504	5.7
57.07081	1.9
58.14319	1.6
63.53415	1.7
67.05502	5.8
69.07062	5.2
69.44923	15.1
79.05479	8.6
81.07063	18.7
83.08627	1.8
84.62615	1.8
91.05476	20.6
93.07038	16.3
95.04984	3.9
95.06104	2.0
95.08595	11.7
98.16269	1.7
105.07033	32.4
107.08617	9.7
107.68826	1.8
109.06443	1.7
110.07158	3.9
115.05499	2.1
117.07007	13.0
119.04951	1.7
119.08590	19.9
120.05613	1.6
121.06483	4.1
121.10131	4.4
122.07145	2.3
128.06213	13.8
129.07010	22.8
130.07840	2.2
131.08578	35.1
132.05545	1.8
133.06490	2.8
133.10147	7.3
134.07108	3.8
135.06729	1.9
136.08694	2.0
137.06006	2.3
141.06987	3.4
142.07787	14.2
143.08568	50.7
144.09256	2.3
145.06560	1.9
145.10130	32.1
146.10956	2.7
147.08061	6.8
148.07570	2.1
148.08620	3.4
149.08217	2.2
151.07558	3.3
151.09772	2.5
155.08556	6.6
156.09337	9.0
157.06500	8.4
157.10123	41.1
157.11325	3.3
159.08012	2.5
159.11694	29.5
161.06000	2.4
161.08383	2.0
161.09662	4.9
163.07455	3.5
165.07030	3.0
169.10097	2.3
170.10939	12.1
171.08041	11.6
171.11656	5.3
173.09615	3.0
175.07556	14.6
180.09348	4.5
183.11780	3.9
185.09727	3.8
185.13274	100.0
186.13765	1.8
187.14861	4.0
189.09138	8.9
190.10913	5.0
195.11662	9.9
198.10431	3.0
203.10626	3.3
203.14326	4.1
213.12759	22.5
231.13799	81.3
231.20898	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
55.05507	5.3
56.05863	2.6
57.03433	1.9
67.05489	5.5
68.05847	3.2
69.03417	2.0
69.07072	3.9
70.07407	2.8
70.93439	4.8
71.04993	2.0
79.05488	9.5
80.05819	5.2
81.03419	3.0
81.07051	8.0
82.07379	7.1
83.04966	1.8
83.91665	1.5
85.06534	5.1
85.20878	1.3
85.86499	1.4
86.06859	3.2
91.05486	15.2
92.05801	9.7
93.07037	7.9
94.07365	5.6
95.04961	7.9
95.08617	8.0
96.05292	5.2
96.08942	5.6
97.06523	4.3
105.07035	19.8
106.07355	21.5
107.04976	2.8
107.08612	5.4
108.08924	6.9
109.06509	4.3
110.06860	4.0
116.05766	2.9
117.07011	4.6
118.07382	9.7
119.08588	9.9
120.08913	11.5
121.06535	3.1
124.08411	2.3
128.06219	8.0
129.06577	8.5
130.07300	15.4
131.04881	2.2
131.08682	9.0
132.05237	3.1
132.08905	14.5
133.06500	2.2
133.10146	4.1
134.06793	2.9
134.10434	10.3
135.08145	2.7
135.95074	2.0
136.08356	4.2
137.05998	5.3
141.06952	2.1
142.07622	5.1
142.65161	1.5
143.08560	15.8
144.08881	36.6
145.06525	2.6
145.10165	11.5
146.06886	4.5
146.10472	20.7
147.08083	2.7
148.08408	6.8
148.12074	2.4
154.07352	2.8
155.08510	4.3
156.08882	14.7
157.10008	10.8
158.06900	4.2
158.09299	2.3
158.10478	26.4
159.07698	3.5
159.11729	3.7
160.08386	4.9
160.12041	10.8
161.09628	1.5
162.09952	8.4
162.13632	2.3
166.07370	5.2
168.08955	1.9
169.09723	3.0
170.10573	2.8
171.11366	5.5
172.08409	8.7
172.12036	14.2
173.09595	9.5
174.09958	37.1
176.07881	3.7
176.11551	3.9
176.15157	2.7
181.09688	5.5
184.08531	1.9
184.12027	7.1
185.13336	3.6
186.10042	1.9
186.13614	46.8
188.11562	4.1
188.15222	1.5
189.09120	2.0
189.12561	1.8
190.09444	3.6
190.13161	9.3
196.12090	10.6
199.10770	3.9
201.09106	2.8
204.11281	1.4
204.14706	12.5
211.76433	2.0
214.13074	26.8
230.30598	1.6
232.14166	100.0
233.11855	2.1
233.15359	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	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03930	1.9
55.01854	1.3
55.05515	5.4
65.03933	1.0
67.05493	4.9
69.03418	3.7
69.07066	2.9
70.44685	4.8
70.45067	1.4
71.04976	1.2
73.02917	1.1
79.05491	10.0
79.64483	1.0
81.03394	1.7
81.06621	1.8
81.07059	17.3
85.02893	1.3
91.04950	1.6
91.05480	16.8
93.07050	12.6
95.04958	2.8
95.08584	7.3
103.05460	2.0
105.07027	31.7
105.07758	1.6
107.08582	5.0
109.06561	2.2
109.10207	1.1
115.05427	5.4
116.06244	1.2
117.07006	20.1
119.04949	2.3
119.08582	16.1
121.06503	3.9
121.10097	2.1
123.04430	1.5
128.06221	17.1
129.07004	26.1
129.07904	2.2
130.07799	7.3
131.04878	1.3
131.07576	1.6
131.08569	31.8
133.06490	3.4
133.10147	5.5
137.05994	2.2
141.06979	7.7
141.54974	1.1
141.65729	1.0
142.07791	13.1
143.08554	49.5
144.09274	3.8
145.06464	5.3
145.10118	56.3
146.10718	1.8
147.08002	5.7
149.05983	1.2
151.07539	1.7
152.06358	1.1
153.07030	2.4
155.06041	1.1
155.08549	11.1
156.09346	7.7
157.06485	10.1
157.10127	30.3
158.07161	1.6
159.08025	2.8
159.11694	17.5
161.05965	2.1
161.09613	5.1
161.13251	3.2
165.07025	6.5
167.08572	1.8
169.10071	1.5
170.07220	2.3
170.10916	7.9
171.08026	7.8
171.11627	6.3
173.05951	1.5
173.09622	44.1
175.07550	10.7
180.09337	5.3
183.08012	2.8
183.11661	3.5
185.05896	1.4
185.13260	100.0
186.13582	2.5
187.07495	1.7
187.11174	2.0
187.14778	6.9
188.11978	1.5
189.09100	7.2
189.12775	3.4
195.08008	1.5
195.11708	11.1
198.10352	2.0
199.14830	2.4
201.09108	19.9
203.10570	2.2
203.14363	10.3
213.09203	2.5
213.12738	23.4
231.10342	14.7
231.13805	68.2
231.17332	1.8
232.11110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03942	1.0
54.06860	0.2
54.15999	0.2
55.01858	0.4
55.05511	10.9
56.05037	0.4
56.96535	0.2
57.03436	0.5
57.05811	1.1
59.04996	0.2
67.05497	0.5
68.99778	0.3
69.03429	6.9
69.07067	0.3
69.86806	0.9
69.87213	0.6
70.06593	0.8
71.04994	0.8
72.08154	100.0
73.07897	0.2
73.08485	0.5
73.70365	0.2
79.05494	1.1
81.03419	4.8
81.07059	1.6
83.01340	0.5
83.04964	0.5
83.08619	0.2
84.04497	0.4
84.08140	0.6
85.02421	0.5
85.02905	4.1
86.09704	5.4
87.00829	1.6
91.05495	1.7
93.07046	1.0
95.04987	0.8
95.08616	0.6
97.02895	1.6
97.06540	0.5
99.04446	1.5
103.20049	0.2
105.07039	2.4
106.80136	0.3
107.04949	0.3
107.08616	0.8
109.02890	0.8
109.06526	0.5
109.10168	0.3
111.04456	0.3
115.05470	1.3
116.06280	0.3
116.98685	0.3
117.07033	0.9
119.08566	1.8
121.02909	0.3
121.06503	0.3
121.10084	0.5
127.03912	2.7
128.06213	1.3
129.06979	1.8
129.10242	0.5
130.07796	0.6
131.04939	0.4
131.08543	1.7
132.09258	0.3
132.10205	3.6
132.95937	0.3
133.06476	0.4
133.10159	0.6
135.08072	0.3
137.06071	0.3
141.06987	0.4
142.07799	1.2
143.04965	0.4
143.08556	3.3
144.09343	0.3
145.04993	0.3
145.06474	0.7
145.10124	2.0
147.04405	0.5
147.08049	0.9
147.11790	0.3
149.09691	0.3
155.08548	0.6
156.09387	0.6
157.06535	0.5
157.10129	3.0
159.08124	0.6
159.11703	1.2
160.05199	0.4
161.06021	0.5
161.09679	0.5
161.13269	0.3
165.07069	0.6
167.04955	0.2
169.10194	0.3
170.10896	0.5
171.02985	0.2
171.04486	0.5
171.08083	0.5
171.11688	1.4
173.09596	1.1
175.03946	0.7
175.07526	1.3
175.11090	0.3
175.14709	0.3
178.10329	0.2
180.09393	0.4
183.11771	0.3
185.05948	0.3
185.09608	0.5
185.13268	4.2
185.16585	0.9
187.11206	0.3
188.04785	0.3
189.09154	0.5
189.12804	0.6
195.11757	0.6
198.10445	0.3
199.04057	0.3
203.03271	0.3
203.07111	1.0
203.10695	0.5
203.14349	1.0
213.12724	2.1
231.02913	0.9
231.04883	0.6
231.06610	1.0
231.10252	0.6
231.13771	5.6
231.17055	2.4
231.21111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03936	1.7
55.05496	4.3
65.03928	1.4
67.05490	4.5
69.07048	2.7
70.42186	4.7
77.03965	1.0
79.05496	7.7
79.05886	1.6
81.07053	18.1
83.32748	1.0
91.05482	17.6
93.07035	11.1
95.04964	2.3
95.08600	7.2
103.05472	3.1
105.06313	1.2
105.07025	23.3
107.08562	6.3
115.05431	2.5
116.06174	2.8
117.07021	13.0
119.08583	13.8
121.06473	2.3
121.10112	1.4
126.90833	1.2
128.06223	12.7
129.07007	24.4
130.07779	3.6
131.08566	36.3
133.06468	3.6
133.10097	3.6
137.06026	2.0
141.06981	2.6
142.07762	10.8
143.08559	51.3
144.09328	2.1
145.10120	28.2
147.08041	5.5
149.05943	2.8
151.07487	2.0
153.07014	1.5
155.06046	1.3
155.08531	5.9
156.09317	5.0
157.06506	5.2
157.10127	27.7
159.08098	1.5
159.11690	14.6
161.05937	2.3
161.09599	2.4
163.07436	1.6
165.07007	2.8
167.08533	1.4
168.09343	1.3
169.10089	1.4
170.10890	4.8
171.08035	8.5
171.11690	3.1
174.01935	1.0
175.07513	9.4
180.09399	3.1
183.11674	2.1
185.09752	6.3
185.13251	100.0
186.13586	1.5
187.14859	7.0
189.09122	6.9
195.11726	7.5
198.10376	1.3
203.10634	1.3
203.14343	5.6
213.12718	19.4
231.13794	72.0
232.14023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1377
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03934	1.9
55.05511	6.2
65.03935	1.5
67.05498	8.3
67.38231	1.2
69.03413	2.0
69.07061	6.7
69.39645	14.8
71.04978	2.8
73.02834	1.1
79.05476	11.1
81.03406	3.8
81.07059	13.5
83.08630	2.2
85.06541	10.8
91.04962	1.4
91.05482	20.0
93.07047	9.6
95.04982	13.8
95.08595	11.7
97.06516	3.6
103.05447	1.7
105.07021	35.0
107.04933	3.0
107.08580	10.8
109.06506	4.9
109.10132	2.4
115.05444	4.9
116.06256	2.2
117.07002	14.0
119.04933	3.8
119.08582	22.2
121.06487	3.7
121.10126	1.5
123.04367	1.7
123.08038	2.4
128.06223	15.7
129.07001	20.1
130.07797	7.3
131.04927	7.3
131.08566	18.6
132.05710	1.7
133.06487	4.6
133.10121	11.5
135.08054	4.4
137.06004	1.6
141.06970	8.1
142.07777	11.0
143.07472	2.7
143.08556	48.0
144.05704	2.1
144.09392	3.4
145.06516	7.5
145.10107	33.7
147.08051	9.7
147.11670	4.7
149.09613	1.8
153.06989	3.1
154.07755	2.8
155.08543	14.7
156.09346	8.4
157.06471	2.8
157.10100	21.5
158.07240	4.5
159.08047	5.9
159.11678	15.3
161.09621	8.1
161.13211	3.1
165.07013	7.1
167.08521	2.0
169.10121	4.5
170.10863	6.9
171.08070	8.9
171.11679	20.0
173.09621	43.8
173.13086	1.5
175.07483	2.8
175.11166	3.7
175.14793	3.5
180.09335	5.4
183.08046	2.9
183.11737	3.3
185.09602	2.8
185.13246	39.5
187.11142	4.2
189.09154	3.1
189.12756	8.4
195.11635	12.0
198.10402	2.0
201.12709	2.7
203.14314	17.6
213.12740	30.1
231.13789	100.0
239.67667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1377
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
51.02372	0.3
51.47066	0.3
51.52463	0.4
53.03938	2.3
55.01862	1.3
55.05504	6.7
57.03427	0.8
57.07064	1.1
59.04996	0.4
63.02384	0.4
65.03928	1.5
67.05498	5.3
68.48573	0.4
69.03422	1.2
69.07065	4.8
70.94266	0.6
70.94596	0.6
71.04974	0.4
73.20868	0.3
74.17861	0.3
77.03928	0.6
79.05045	0.8
79.05488	12.8
81.07050	21.6
83.04976	0.9
83.08621	0.7
91.05474	26.5
93.07040	17.2
95.04969	3.7
95.08598	11.6
97.02871	0.4
97.06499	0.8
103.05473	2.7
104.06268	0.4
105.07023	41.3
107.04941	1.1
107.08587	8.3
109.06520	1.5
109.10139	0.8
111.08077	1.0
113.65033	0.3
115.05432	6.3
116.06238	2.4
117.07008	17.0
119.04954	2.2
119.08574	23.2
121.06494	3.7
121.10121	2.7
123.04440	0.9
123.08085	0.8
125.05963	1.1
127.05434	0.6
128.06213	21.1
129.06999	28.8
130.07803	5.3
131.08560	33.8
132.09312	0.7
133.06508	2.7
133.10124	8.8
135.04407	0.7
135.08040	0.9
137.05972	1.7
139.07466	0.4
141.06990	5.9
142.07771	20.9
143.08551	60.4
144.09360	5.0
145.06467	4.0
145.10112	30.9
145.11807	0.5
146.10904	2.2
147.08046	6.1
147.11665	1.0
149.05983	2.2
151.07556	3.6
153.06973	1.2
154.07785	0.7
155.06023	1.4
155.08542	10.5
156.09335	10.0
157.06500	9.2
157.10118	45.4
158.10847	1.2
159.08076	2.1
159.11681	30.5
160.12029	0.4
161.05919	2.1
161.09610	4.2
161.13155	0.5
163.07536	3.3
165.06996	4.8
167.08578	1.4
168.09322	0.7
169.06453	0.7
169.10088	2.3
170.10899	14.3
171.08031	9.0
171.11673	5.4
172.08809	0.9
172.12398	0.5
173.09505	0.7
175.07538	12.6
175.11185	1.3
175.14815	1.2
176.08308	0.4
177.09216	0.7
179.08505	0.9
180.09311	4.1
183.08069	1.7
183.11690	2.1
184.08849	0.8
185.09868	2.6
185.13245	100.0
186.13748	1.8
187.11224	0.7
187.14796	6.4
189.09103	9.1
189.12776	0.6
195.11685	12.3
196.12047	0.4
198.10394	2.6
203.10646	1.9
203.14299	5.2
213.12730	21.4
214.13168	0.4
216.11526	0.4
231.13788	63.1
232.14236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
56.96561	55.6
57.03419	0.9
58.06592	1.4
60.08171	0.7
61.08454	0.6
69.03443	0.9
70.06586	7.3
70.21588	3.2
70.98121	0.8
71.05000	1.0
71.06922	2.2
71.95258	2.9
72.08156	1.4
72.96038	2.8
74.06087	1.0
74.97619	1.3
81.07039	0.8
83.97623	1.4
84.04494	0.7
84.08144	2.6
84.96040	1.7
85.02905	1.1
86.09703	7.0
88.99165	0.9
97.99194	1.2
98.20871	0.7
98.97578	100.0
99.04472	0.8
99.97883	0.8
100.99142	1.0
105.06950	0.6
110.97548	0.8
112.07623	0.9
112.99135	1.3
114.06769	0.7
116.00227	1.3
116.98613	83.7
119.01923	2.8
119.08595	0.6
120.02023	2.8
121.01701	1.2
124.00709	1.0
126.02279	2.0
127.03893	0.8
128.98618	2.1
131.00163	1.8
131.01888	0.7
133.03397	0.7
133.50548	0.6
133.84976	0.6
134.01268	2.0
134.99646	45.5
137.05968	0.6
138.03105	0.7
140.00191	3.1
140.03802	2.3
142.05391	1.7
142.08667	1.5
143.00131	1.5
143.09039	3.3
144.03304	1.4
144.08879	1.7
145.01753	0.7
145.10124	1.1
146.99600	1.9
149.01218	1.2
153.00694	6.8
156.08900	0.7
158.01218	2.4
158.04877	5.4
159.11613	0.9
160.06459	7.3
161.01237	3.7
163.02780	1.2
165.00722	0.6
169.09630	1.7
170.04886	1.5
170.10872	0.7
171.03329	2.1
171.11606	0.7
172.09618	0.9
176.05942	2.3
177.00714	1.2
178.07524	2.6
180.23004	0.7
184.12038	2.8
185.02896	0.6
185.13310	3.0
188.00972	1.1
188.05966	4.5
189.00740	1.4
189.02623	1.3
189.04321	13.9
193.00291	1.0
199.04549	1.0
202.07375	1.7
206.07002	9.4
207.01723	2.4
207.05406	11.5
212.05826	1.5
224.08055	13.3
225.02803	1.3
230.06979	11.1
230.12425	2.4
230.15796	14.4
231.05421	2.1
231.13879	2.1
248.08043	24.3
248.99239	1.6
249.02795	1.1
249.06363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Kauniolide
Peak:m/z	Relative Intensity
51.88253	1.0
55.05489	4.8
57.07047	1.2
61.32492	1.2
67.05493	4.0
69.07041	4.5
70.46464	3.1
70.59599	1.2
79.05483	9.1
81.07047	21.5
91.05470	20.6
91.33279	1.3
93.07041	16.2
95.04938	3.0
95.08597	10.6
103.05457	2.3
105.07023	33.2
107.08598	9.2
111.04420	1.3
115.05415	4.1
116.06236	2.1
117.06998	12.9
119.04922	3.4
119.07774	1.8
119.08566	19.1
121.06509	1.6
121.10139	2.5
123.04383	1.5
128.06204	13.5
129.06996	19.0
130.07784	2.4
131.08569	27.9
133.06459	3.2
133.10109	7.3
137.05937	2.4
141.06990	5.8
142.07758	15.7
143.08557	53.3
144.09283	3.4
145.06534	2.5
145.10115	28.1
146.10901	2.6
147.07962	7.2
149.05946	2.8
151.07497	3.8
153.06934	1.3
155.08604	8.9
155.93713	1.4
156.09349	9.5
157.06511	6.8
157.10120	38.8
159.11670	32.1
161.06007	2.2
161.09599	3.6
163.07512	3.6
165.07019	3.0
167.08525	2.3
169.10094	2.2
170.10916	11.8
171.08038	10.9
171.11650	4.6
175.07530	13.9
180.09282	3.4
183.08118	2.1
183.11705	1.6
185.13242	100.0
186.13603	2.9
187.14764	6.1
189.09106	9.3
195.11658	11.2
198.10419	2.6
203.10637	2.0
203.14317	4.8
213.12730	23.0
231.13780	73.1
232.14091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1377
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
51.02362	1.0
53.03945	1.2
55.05514	4.9
57.07053	1.0
59.80870	0.8
65.03913	1.3
67.05506	4.4
69.07044	2.7
70.18038	1.8
70.18456	2.8
79.05488	9.2
81.07055	17.7
83.05021	0.7
83.08623	1.1
91.05466	17.6
93.07032	13.3
95.04948	2.8
95.08601	7.8
100.60314	0.8
103.05434	1.8
105.07024	27.8
107.04983	0.9
107.08591	7.0
113.99610	0.8
115.05444	3.5
116.06210	2.2
117.07015	15.8
119.04959	1.0
119.08575	13.3
121.06510	1.9
121.10190	0.8
125.05979	0.9
128.06219	14.9
129.06995	23.7
130.07742	3.1
131.08562	27.3
132.09343	1.8
133.06477	2.9
133.10124	4.6
137.05956	2.1
141.06982	3.3
142.07773	11.8
143.08553	58.3
144.09230	3.6
145.06459	2.1
145.09023	1.6
145.10118	25.7
146.10800	1.6
147.08038	4.4
149.05971	2.3
151.07513	2.5
155.08522	4.2
156.09352	5.8
157.06496	3.6
157.10121	30.7
158.10619	1.0
159.08054	0.9
159.11688	21.4
160.11964	0.9
161.05942	3.1
161.09622	2.4
163.07538	1.4
165.06996	2.5
167.08524	1.3
168.09349	0.9
169.10139	2.1
170.10913	6.4
171.08061	6.5
171.11626	3.4
175.07532	12.9
175.11099	1.2
180.09319	2.8
183.11644	2.5
185.09663	3.0
185.13248	100.0
186.13632	2.9
187.14801	4.8
189.09100	8.7
193.97348	0.8
195.11656	8.2
198.10420	1.4
203.10619	2.2
203.14247	4.2
213.12733	18.4
231.13785	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11156	1.7
53.03933	2.4
53.19773	1.7
55.01865	2.8
55.05515	18.0
57.03431	6.3
57.07056	3.0
59.04995	4.6
60.39384	1.8
60.83150	1.7
67.05504	46.7
67.85078	1.9
69.03417	5.5
69.07058	11.3
69.63188	15.6
70.06593	8.4
71.04979	6.7
79.05477	10.3
81.07056	24.7
83.04972	3.8
83.08617	6.9
85.06548	13.9
86.09712	2.3
91.05468	23.1
93.07048	39.0
95.04986	5.0
95.08606	26.9
97.06522	1.9
97.10186	1.9
98.21458	4.4
99.08083	15.1
103.05465	3.5
105.07031	30.0
107.08597	41.7
109.06525	6.2
109.10156	71.2
111.08077	5.1
115.05409	5.8
116.06255	2.3
117.07021	10.5
119.08581	35.3
121.06549	2.0
121.10128	19.9
123.08064	4.5
123.11689	12.9
125.09656	4.9
127.11176	2.4
128.06218	18.5
129.07008	13.4
131.08569	17.2
133.06618	2.4
133.10133	89.8
135.04443	3.0
135.11690	71.7
135.12718	3.5
137.09612	11.8
139.11153	2.1
141.06987	13.6
142.07799	11.4
143.08569	31.0
143.22635	2.0
144.09338	2.8
145.06487	7.3
145.10095	10.2
147.07945	1.8
147.11707	4.1
149.05963	2.5
149.13237	5.2
151.11180	8.0
151.14821	5.3
153.06984	18.1
154.07748	2.8
155.06049	2.4
155.08554	30.7
155.10689	2.9
156.09344	4.3
157.10138	14.8
158.10800	2.0
159.08047	12.6
159.11693	13.3
163.14793	5.2
165.16417	6.3
167.08589	4.3
168.05701	2.3
168.09346	48.1
169.06390	2.4
169.07677	2.9
169.10077	5.8
171.08069	7.1
173.05960	11.1
173.09616	7.0
173.11737	7.0
173.13268	8.5
175.11278	2.6
175.14825	53.1
181.10213	2.4
183.08058	6.9
183.11697	100.0
184.12076	3.1
185.09604	3.2
185.13293	2.6
186.06781	2.5
187.07523	10.2
187.11182	13.0
193.10199	5.1
193.15884	51.1
196.08858	2.6
201.05551	2.8
201.09145	6.0
201.12741	22.1
211.07544	6.2
211.11169	17.2
211.16901	10.7
229.05144	4.3
229.08673	22.7
229.12239	60.2
229.14304	4.9
229.17793	10.1
230.12721	2.1
247.13353	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03962	0.3
55.01862	0.9
55.05506	0.7
56.05031	0.4
56.96561	17.4
57.03421	0.9
58.06596	5.2
58.99869	0.3
59.07370	1.2
60.08163	6.6
61.02908	0.7
67.05489	0.3
68.05014	1.2
69.03419	1.1
69.07060	0.4
70.06588	36.6
70.33809	1.4
70.98120	2.4
71.04966	0.6
71.95261	0.6
72.08148	1.4
72.96021	0.7
73.02897	1.3
73.10604	0.3
74.97593	0.4
77.00902	0.3
79.05499	0.4
81.03398	0.6
81.07035	0.7
84.04489	0.8
84.08125	1.0
84.96030	0.6
85.02890	1.4
86.09696	1.5
87.04464	0.4
88.99138	0.8
89.00779	0.4
91.05463	1.4
96.08106	1.7
97.02885	0.7
97.99178	0.5
98.06044	1.0
98.97576	18.2
99.04464	0.4
101.00878	1.8
105.07030	1.5
107.00144	0.3
107.08571	0.7
110.01247	0.8
110.97534	0.6
112.08770	0.3
114.05530	4.0
114.09166	1.8
115.00690	0.3
115.02428	0.3
116.06316	0.3
116.07072	1.1
116.98615	14.5
117.07013	1.0
119.01905	8.1
119.08646	0.4
120.01954	0.3
121.06489	0.3
124.07594	3.2
126.09161	1.2
126.12761	1.2
127.03918	0.8
128.02284	0.7
128.06239	1.9
128.98624	1.4
129.06987	1.5
131.00119	0.4
131.01804	0.7
131.04962	0.3
131.08536	1.5
133.01624	0.3
133.03455	1.0
134.01237	0.8
134.99655	7.8
137.02960	1.8
140.03819	0.6
141.06969	1.3
142.08633	31.6
143.00175	0.8
143.08540	3.8
144.03264	0.5
144.09315	0.6
144.99825	0.8
145.01617	0.6
145.03502	0.5
145.06468	1.2
145.10100	0.8
146.99626	1.3
147.01367	0.4
147.03085	0.4
148.03853	1.0
149.05974	0.4
153.00648	1.5
153.06946	1.9
155.08542	3.4
157.04541	0.6
157.10091	1.4
158.01227	0.7
158.04919	1.6
159.03278	0.5
159.07977	0.8
159.11662	1.1
160.06448	1.4
161.01265	1.0
161.02927	0.9
161.05952	0.3
165.00743	0.6
167.08621	0.4
168.09340	3.6
168.99811	0.5
169.02524	0.6
169.10165	0.4
170.04890	0.4
170.08148	1.7
170.99677	0.8
171.08072	0.6
173.05997	0.9
173.09715	0.5
173.13246	0.5
174.04373	0.5
174.99051	0.4
175.02730	0.8
175.04593	0.6
177.00703	0.4
177.02327	0.6
177.04248	0.4
178.07626	0.6
183.11668	8.9
183.14966	0.6
184.03079	0.7
185.01221	0.8
185.02907	0.5
185.13231	0.3
186.99228	0.6
187.00877	2.1
187.04523	0.6
187.07471	1.0
187.11176	1.2
188.05914	1.3
189.00714	0.6
189.04311	3.1
193.10037	0.4
201.00735	0.4
201.12721	2.0
203.02292	0.7
205.01967	0.7
205.03813	0.6
205.05765	0.8
206.06958	2.4
207.01746	0.6
207.05342	1.5
211.11151	1.0
215.00331	1.1
219.01726	1.0
224.08060	3.6
229.12271	4.9
229.15459	100.0
230.06932	2.1
230.15799	1.7
247.01085	0.6
247.13371	0.7
248.08046	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.03932	0.7
53.40061	0.4
53.40338	0.4
55.01875	1.9
55.05516	0.9
56.05024	1.0
56.96288	0.8
56.96564	12.1
57.03438	5.2
58.06595	7.1
58.29796	0.4
58.99850	0.9
59.04992	1.0
59.07372	1.1
60.08161	8.0
61.02929	5.8
61.10690	0.4
67.05485	0.5
67.31684	0.4
67.89559	0.4
68.05016	1.3
69.03427	4.2
70.06590	44.7
70.21320	1.9
70.98104	1.0
70.99844	0.8
71.01340	0.5
71.05002	2.6
71.06129	0.4
71.95267	0.4
72.04475	0.4
72.08149	4.6
73.02915	4.9
74.97598	0.6
79.05504	0.6
81.03419	2.8
81.04530	2.9
81.07014	0.4
82.03761	0.7
83.00813	0.6
83.04966	0.6
83.06078	0.5
84.04506	1.9
84.08128	1.0
84.96008	1.7
85.02399	0.7
85.02895	6.8
85.06517	1.2
86.03225	0.4
86.09721	1.0
87.04475	2.1
88.99122	0.6
89.00842	0.9
91.03968	0.6
91.05438	0.5
92.01290	0.5
95.04970	0.7
95.06087	5.9
96.01502	0.5
96.08116	2.1
97.02328	0.7
97.02884	4.7
97.07649	0.5
97.96792	1.4
98.01296	0.5
98.03157	0.4
98.06060	1.0
98.09695	2.6
98.97583	12.1
99.04430	1.7
100.02429	0.5
100.05251	0.6
100.99128	1.3
101.00866	5.6
101.02348	0.4
103.02390	0.5
104.01276	0.7
105.02062	0.6
105.07047	0.9
109.02884	2.0
110.01300	2.1
110.03165	0.5
110.97565	3.3
112.99149	0.5
114.05519	4.7
114.06721	1.1
114.09167	2.3
114.10264	1.2
115.97872	0.4
116.07092	2.2
116.98636	4.9
117.01972	0.4
118.02837	0.5
118.08670	0.5
119.01900	23.3
120.02042	1.6
121.01656	1.3
124.07602	3.9
126.02538	0.7
126.09155	3.2
126.12804	2.1
127.03904	2.2
127.05030	2.5
128.02306	5.1
128.06219	1.0
128.98602	3.4
129.03967	0.5
131.00134	1.3
131.01874	3.0
131.08575	0.6
132.00732	0.9
133.01685	2.1
133.03471	3.6
134.99625	1.8
135.03108	1.0
137.01915	0.7
137.02921	6.4
138.02966	0.5
139.01520	0.6
139.03322	0.7
139.53177	0.4
140.02296	1.2
140.25407	0.4
140.65474	0.4
140.98615	0.5
141.01248	0.5
141.06981	0.7
142.03502	0.9
142.08632	35.9
142.96457	0.7
143.00146	1.7
143.01840	0.9
143.08549	1.4
144.02437	0.6
144.99867	2.1
145.01578	0.6
145.03392	0.8
145.04932	0.7
146.02283	1.2
146.99640	2.6
147.01331	0.8
147.03154	0.4
147.04993	0.4
148.02000	1.2
148.03845	5.8
148.04883	0.5
148.06551	1.8
149.01242	0.9
149.02924	0.5
150.10258	1.1
151.02780	0.6
151.04451	0.9
152.02313	0.6
153.06908	0.7
154.01961	0.5
155.00073	0.5
155.02809	0.5
155.08527	1.0
157.04497	3.0
157.10107	1.0
158.99666	2.2
159.05009	0.9
159.11562	0.6
159.54700	0.9
161.01167	1.6
161.02846	1.5
161.05551	0.8
162.01752	0.7
162.51964	0.5
162.99109	0.5
163.02829	0.7
163.04393	1.1
165.00734	1.4
168.01831	1.2
168.09334	1.8
168.11325	0.6
168.99828	2.1
169.02568	1.6
169.04352	0.6
170.06120	0.6
170.08154	2.0
170.99673	0.9
171.05006	0.5
171.08047	0.7
173.01175	0.6
174.01677	0.6
174.99142	0.7
175.02837	0.8
175.04494	2.0
176.03331	0.5
177.00671	1.8
177.02293	1.4
177.04330	0.5
177.06018	0.6
178.03064	0.7
180.53242	0.4
182.03378	0.8
183.02225	1.7
183.11409	6.9
184.03256	0.7
184.04836	1.4
185.03000	0.6
185.13953	1.2
187.00888	4.7
187.02599	0.6
187.11252	0.6
189.00681	1.7
189.04303	0.4
190.98587	0.7
191.02229	1.3
191.03906	0.8
192.02788	0.8
193.00146	0.6
193.03836	0.7
201.00667	1.1
201.12709	1.0
202.98674	0.4
205.00143	0.9
205.01901	1.5
205.03641	0.5
207.01718	0.8
211.11131	1.0
212.56383	1.0
213.03328	0.5
215.00403	3.3
215.02197	0.7
217.00044	0.5
219.01758	1.8
219.07106	0.7
220.05983	1.4
223.01213	0.5
228.57716	1.8
229.06494	1.4
229.12057	10.0
229.15456	100.0
230.15733	1.7
230.98085	0.6
237.02788	1.6
247.13203	0.7
248.98976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1222
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.72477	1.0
55.05487	3.3
56.58786	1.4
61.42970	1.0
67.05495	6.9
69.03401	4.5
69.07053	2.6
69.54917	9.5
70.06550	1.2
79.05471	3.4
81.07047	5.1
84.31137	1.1
86.09682	1.5
91.05476	7.9
93.07027	4.3
95.04952	2.1
95.08624	1.7
103.05437	1.4
105.07019	11.4
107.08602	3.0
109.10141	4.0
115.05470	2.5
117.06995	4.0
119.08553	6.8
121.06487	2.5
123.04332	1.3
128.06212	12.5
129.06998	10.6
130.07790	2.2
131.08540	15.4
133.06441	1.6
133.10098	1.9
141.06972	15.7
142.07773	11.3
143.07491	1.9
143.08557	25.1
144.09285	3.7
145.06445	4.5
145.10112	11.8
147.08020	1.9
149.05986	1.7
153.06975	16.6
154.07745	3.1
155.08542	30.1
156.09328	14.9
157.10117	12.0
158.07266	1.8
158.10828	1.7
159.08043	8.8
159.11659	10.2
166.07698	1.3
167.08562	5.5
168.09338	54.0
169.10167	5.6
171.08047	3.4
172.08789	2.7
173.05963	4.7
173.09641	6.7
173.11935	1.5
173.13237	7.5
181.06348	1.5
181.10088	2.1
183.08139	3.3
183.11684	100.0
184.12224	1.9
185.13286	2.8
186.10295	1.4
187.07530	6.6
187.11162	10.8
193.10216	2.2
196.08841	3.7
201.09085	1.3
201.12737	26.3
211.07524	5.9
211.11125	10.1
229.08586	3.5
229.12221	60.7
247.13274	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	229.1221
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03954	1.0
55.01855	4.5
55.05494	3.4
57.03422	1.4
67.05501	8.9
69.03416	2.0
69.56031	4.4
69.56458	5.4
73.02907	2.5
79.05473	4.2
81.03365	1.6
81.07038	5.5
91.05479	13.0
93.07042	4.6
95.04977	2.1
98.20667	2.3
99.90364	1.1
103.05459	2.8
105.07028	24.5
107.08598	3.9
109.10166	3.3
110.56248	1.5
115.05454	5.2
116.06198	2.8
117.07021	14.9
118.43831	1.1
119.04953	1.1
119.08562	7.0
121.06516	2.0
128.06210	17.2
129.06993	18.0
130.07784	2.6
131.08559	31.4
131.40799	1.1
133.10127	2.0
135.04381	2.1
136.51901	1.0
141.06973	14.4
142.07788	18.2
143.08553	32.2
144.09343	12.3
145.06477	8.1
145.10114	9.4
147.08026	2.1
147.11731	1.5
149.05954	2.4
152.06253	1.8
153.06978	17.5
154.07759	7.6
155.06073	1.3
155.08553	27.1
156.09322	3.1
157.06535	1.5
157.10109	23.7
158.10861	1.6
159.08049	11.4
159.11676	64.5
161.06039	1.8
165.06923	2.0
166.07828	1.6
167.08565	6.6
167.68408	1.1
168.09337	47.7
169.06450	2.3
169.10118	19.3
170.10907	2.7
171.08060	4.7
171.11668	1.7
172.08879	2.5
173.05983	6.4
173.09618	3.7
173.13249	6.3
175.07571	1.8
175.11157	4.6
178.07751	1.9
181.06544	2.3
181.10117	5.0
183.11684	100.0
184.08841	1.8
184.12225	2.7
185.09622	4.4
185.13246	6.8
186.10385	2.0
187.07616	6.8
187.11166	83.5
188.11505	1.8
192.11244	1.2
193.10109	6.8
196.08762	2.4
199.11147	8.6
201.09042	3.8
201.12724	29.0
201.14471	2.3
211.07581	2.0
211.11147	21.5
214.09828	1.9
229.08589	4.2
229.12236	94.9
230.12527	2.2
247.13358	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03937	1.1
55.01866	1.4
55.05497	4.0
58.81012	1.1
65.03923	1.0
66.03580	0.9
67.05486	4.0
69.03418	1.3
69.07058	1.0
69.42912	1.2
69.43136	3.3
69.43555	5.6
69.62584	1.0
77.02213	0.9
79.05485	8.5
81.07056	10.9
91.05476	23.0
93.07048	8.9
95.04942	2.4
103.05448	4.2
105.07024	26.3
105.99068	0.9
107.04927	1.2
107.08575	5.9
109.06532	1.2
115.05458	7.4
115.20376	1.0
116.06217	1.5
117.06994	10.3
119.04916	2.1
119.08586	7.7
121.06510	2.3
128.06215	17.7
129.07016	24.3
130.07764	2.3
131.04866	1.3
131.07594	1.4
131.08574	23.5
133.06485	1.8
133.10133	2.6
135.04428	1.8
137.06003	1.5
141.06978	21.9
142.07780	19.0
143.08559	32.5
143.65103	0.9
144.09355	5.5
145.06458	4.1
145.10132	10.1
146.07263	1.3
147.04420	1.3
147.08076	1.5
147.11665	2.6
149.05960	3.3
152.06212	1.2
153.06992	16.7
154.05840	0.9
154.07796	6.3
155.08548	39.2
156.09245	1.4
157.10124	29.6
158.10902	1.5
159.04408	3.0
159.08035	8.4
159.11708	7.6
161.05956	2.1
165.06931	1.0
166.07816	2.5
167.08560	6.2
168.09346	40.1
169.06480	1.1
169.10130	6.2
170.10909	1.3
171.08064	4.2
173.06004	5.2
173.09639	5.9
173.13229	5.1
175.11206	7.8
178.07797	2.4
181.06468	1.3
181.10068	5.6
183.11690	100.0
184.12057	1.8
185.09708	1.9
185.13295	4.1
186.10362	2.3
187.07565	13.1
187.11163	6.9
193.10117	7.1
196.08954	2.5
201.09027	1.9
201.12752	23.9
211.11179	18.6
214.09924	1.1
229.12236	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03939	1.5
54.68914	0.7
55.01855	0.8
55.05511	3.0
57.03424	1.3
60.66614	0.5
65.03931	0.8
65.15626	0.6
67.05492	5.3
69.03409	1.6
69.07064	0.8
69.89467	1.3
69.89880	2.3
71.04977	1.1
76.86860	0.6
78.53629	0.6
79.05494	4.4
79.05879	0.6
81.07059	4.5
91.05470	10.0
93.07030	5.3
95.04968	1.8
98.20728	1.0
99.49262	0.7
103.05448	2.7
105.07017	18.2
107.04957	1.3
107.08566	4.1
109.10141	3.2
109.60319	0.7
115.05457	4.4
116.06217	1.4
117.06992	6.5
119.08568	4.8
121.06495	1.9
128.06209	21.2
129.06995	15.6
130.07808	1.6
131.04912	1.5
131.08559	21.5
132.01077	0.7
133.10156	1.0
135.04413	3.5
135.80803	0.7
141.06964	11.3
142.07765	13.3
143.08549	40.1
144.09358	3.9
145.06471	8.2
145.10115	7.8
147.08025	1.3
149.05981	4.0
152.06143	1.2
153.06976	16.1
154.07745	3.4
155.06073	1.4
155.08539	31.2
156.09262	1.9
157.06488	1.3
157.10109	17.8
158.10878	2.2
159.04405	1.7
159.08037	9.3
159.11687	13.7
161.05957	1.6
165.06937	0.8
166.07674	0.9
167.08516	4.8
168.09337	43.2
169.06396	1.5
169.10101	6.5
170.10931	0.8
171.08009	7.3
171.11693	1.8
172.08800	1.5
173.05975	7.1
173.09692	3.8
173.13222	4.9
175.11198	4.3
178.07770	1.2
181.06482	2.1
181.10115	2.5
183.11679	100.0
184.12146	2.6
185.09682	1.7
185.13248	3.2
186.10400	1.5
187.07542	8.1
187.11168	18.4
193.10127	5.1
196.08800	3.1
199.11124	3.6
200.08250	1.0
201.09050	2.7
201.12738	25.5
202.08897	0.8
206.42497	0.6
211.07692	1.5
211.11168	17.9
214.09862	0.7
229.08554	3.3
229.12218	71.5
229.17786	2.6
230.12543	1.4
247.13307	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	229.1224
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
51.02397	0.8
53.03928	1.9
55.01862	1.2
55.05513	4.5
57.03428	1.8
65.03928	1.4
67.05507	12.8
69.03407	1.3
69.07069	1.2
70.31231	1.7
70.31628	1.7
71.04987	1.1
79.05487	7.4
81.03404	1.4
81.06600	0.8
81.07056	13.1
83.04980	1.0
83.08606	0.8
83.40276	0.8
83.90870	0.7
85.12848	0.8
91.05480	16.6
93.07046	7.1
95.04960	3.3
95.08584	2.4
98.21444	0.9
99.04420	0.7
102.35790	0.6
103.05445	3.4
105.07032	19.6
107.04951	1.5
107.08577	3.2
109.06506	1.0
109.10157	7.5
115.05442	6.4
116.06226	1.3
117.07008	8.0
119.04955	1.1
119.08578	6.5
120.09394	0.9
121.06486	2.2
122.01683	0.7
123.04428	0.9
128.06230	18.1
129.07007	23.5
130.07802	1.4
131.04936	1.7
131.08568	14.3
133.06471	1.4
133.10127	1.3
135.04434	1.2
135.08035	0.9
137.05965	1.5
141.06989	23.5
142.07787	19.4
143.08560	32.5
144.09337	5.3
145.06505	5.4
145.10147	6.6
147.08012	2.4
147.11656	1.8
149.05933	2.7
152.06242	1.3
153.06987	19.2
154.07803	6.6
155.05983	2.0
155.08559	47.2
156.09372	3.8
157.10126	24.1
158.07248	0.9
158.10947	0.8
159.08073	7.5
159.11700	7.4
161.05988	1.3
165.06995	2.3
166.07771	2.0
167.08588	6.2
168.09346	42.4
169.06445	1.7
169.10124	7.7
170.10870	1.9
171.08023	5.0
171.11694	4.7
172.08862	1.0
173.05936	4.5
173.09615	5.5
173.11772	1.7
173.13135	4.5
175.07527	2.6
175.11201	1.6
178.07751	2.4
181.06511	2.7
181.10083	3.6
182.07318	1.3
183.08130	3.3
183.11691	100.0
184.12143	2.9
185.09615	2.2
185.13274	5.2
186.06645	0.9
186.10376	1.0
187.07559	6.9
187.11177	6.4
193.08464	0.8
193.10095	5.6
196.08839	4.1
199.11200	11.2
200.08420	0.8
201.09131	5.4
201.12752	15.3
211.11188	19.5
229.08955	5.9
229.12239	80.0
229.15939	2.1
230.12645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1223
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.01854	2.1
55.05492	3.9
61.84087	1.1
67.05495	5.2
67.26028	1.0
69.03408	2.2
69.07056	1.4
69.99684	6.6
71.04984	1.7
79.05502	8.0
81.07061	14.4
91.04957	1.7
91.05486	19.1
93.03342	1.2
93.07039	9.1
95.04964	3.1
95.08570	1.2
97.02896	2.1
103.05450	4.0
105.07025	31.2
107.04939	3.7
107.08588	2.9
115.05431	5.4
116.06225	1.9
117.07014	10.3
119.04935	1.9
119.08562	6.1
121.06472	2.4
123.04374	1.3
128.06238	16.7
129.07001	22.3
130.07777	1.8
131.04916	2.6
131.08571	25.0
133.06496	3.4
135.04391	1.9
137.05881	1.2
141.05943	2.4
141.06984	25.7
142.07780	18.5
143.08557	31.3
144.09300	4.8
145.06470	6.5
145.10110	10.4
147.04425	1.5
147.08035	1.7
149.05968	3.4
152.06224	1.7
153.06996	14.1
154.07761	4.7
155.04968	1.2
155.08553	41.6
156.09247	1.6
157.10129	26.8
159.04369	1.9
159.08032	9.8
159.11703	7.5
161.06023	6.1
165.07039	1.8
166.07793	1.7
167.08557	6.4
168.09355	38.2
169.06480	2.0
169.10117	8.1
171.08028	5.9
172.08762	1.8
173.05956	5.5
173.09642	4.4
173.11856	1.8
173.13255	8.9
175.11180	4.9
178.07761	3.6
181.06482	1.6
181.10095	3.7
183.11699	100.0
184.12144	2.3
185.09663	4.6
185.13248	4.2
186.10449	2.4
187.07590	8.7
187.11205	11.5
193.10117	8.1
196.08823	2.4
199.11172	1.6
201.09152	3.2
201.12737	21.4
211.11192	26.9
229.12236	93.3
230.12610	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	229.1222
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03935	1.1
55.01861	1.2
55.05492	2.2
57.03416	1.1
67.05481	1.6
69.03430	1.7
69.07080	0.8
70.12850	4.4
71.04979	1.1
79.05477	3.7
81.03418	1.1
81.07055	4.3
91.05473	10.2
93.07040	5.4
95.04949	2.0
97.35496	0.9
103.05441	1.9
105.07027	16.2
107.04939	1.2
107.08550	5.1
109.06491	1.5
115.05447	4.5
116.06211	1.2
117.07024	7.1
119.08568	6.1
121.06493	2.1
127.05325	0.9
128.06216	17.0
129.07016	15.2
130.07774	1.5
131.04932	1.1
131.08565	17.0
133.06476	1.5
133.10097	2.5
135.04398	3.2
135.81464	0.8
141.06979	12.4
142.07776	15.1
143.08562	33.3
144.09361	5.3
145.06491	5.1
145.10120	7.3
147.07994	2.0
147.11684	1.0
149.05956	3.3
152.06149	2.1
153.06987	19.3
154.07759	3.7
155.08539	29.5
156.09265	2.0
157.06468	0.8
157.10130	18.2
158.10866	2.0
159.04402	1.4
159.08052	11.8
159.11684	8.5
160.08830	1.0
165.06938	1.4
166.07744	0.9
167.08597	5.8
168.09341	42.5
169.06436	1.1
169.10136	7.1
170.10890	1.5
171.08034	8.1
171.11671	1.4
172.08778	1.8
173.06000	5.1
173.09622	4.7
173.13310	5.2
175.07645	1.1
175.11165	3.2
178.07773	1.9
181.06480	2.5
181.10089	3.0
183.11688	100.0
184.12109	3.3
185.09665	1.5
185.13258	4.4
186.10410	3.1
187.07526	9.0
187.11143	13.9
193.10152	5.2
196.08835	3.1
201.09003	1.3
201.10823	0.9
201.12740	30.1
211.11159	19.8
229.12228	78.6
230.12538	1.9
241.15033	0.9
247.13310	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	229.1221
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
51.02369	0.3
53.03948	0.7
55.01871	0.7
55.05509	2.4
57.03432	0.3
60.09776	0.2
63.02380	0.2
65.03944	0.6
67.05499	1.3
69.03419	0.6
69.07065	0.9
71.04979	0.6
71.28591	0.3
71.28923	0.3
76.03246	0.2
77.03912	0.4
78.04726	0.2
79.05489	3.5
81.03384	0.2
81.07052	2.6
83.04979	0.3
91.05473	9.4
93.03406	0.2
93.06459	0.3
93.07038	4.8
95.04971	1.9
95.08655	0.3
97.02888	0.6
99.04449	0.4
103.05460	1.9
104.06253	0.3
105.04527	0.3
105.07022	14.2
107.04938	1.6
107.08585	3.0
109.06515	0.6
115.05443	4.5
116.06257	0.9
117.07014	4.9
119.04932	0.8
119.08569	3.3
121.01829	0.2
121.02916	0.2
121.06493	1.5
123.04373	0.4
123.08102	0.3
127.05428	0.5
128.06213	16.7
129.06999	14.2
130.07813	1.5
131.04947	1.3
131.08556	14.2
133.06476	0.7
133.10150	0.7
135.04408	3.2
135.08078	0.3
137.05975	0.3
141.06979	11.8
142.07774	15.8
143.08551	31.2
144.05705	0.4
144.09344	4.2
145.06473	5.6
145.10110	4.9
146.07231	0.3
147.04445	0.2
147.08055	0.8
147.11693	0.4
149.05969	3.5
149.45856	0.2
152.06218	1.5
153.06981	21.5
154.07755	4.8
155.06024	1.1
155.08545	29.1
155.80290	0.2
156.09380	1.5
157.06569	1.0
157.10120	14.7
158.07257	0.6
158.10857	0.7
158.39859	0.2
159.04482	1.1
159.08043	6.7
159.11685	7.3
160.08818	0.4
161.06006	1.1
161.09538	0.2
165.06987	1.4
166.07771	1.2
167.08546	5.5
168.09332	48.9
169.06473	1.5
169.07796	0.3
169.10112	6.7
170.10938	1.1
171.08038	2.7
171.11739	0.4
172.08832	1.4
173.05980	4.6
173.09587	2.0
173.13237	3.2
175.07433	0.9
175.11157	2.0
178.07747	1.3
181.06493	2.0
181.10153	2.5
182.10886	0.3
183.11681	100.0
184.12163	1.8
185.09598	0.6
185.13234	3.8
186.10414	1.1
187.07571	5.4
187.11169	22.5
188.11484	0.3
193.10123	4.4
195.08002	0.4
196.08820	2.4
199.07555	0.2
199.11107	0.3
200.08327	0.3
201.09134	1.1
201.12729	14.0
211.11165	12.9
212.11465	0.3
214.09837	0.5
229.12219	39.0
230.12500	0.5
247.13269	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1221
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
50.49870	0.2
51.02372	0.3
53.03940	0.8
55.01857	0.8
55.05288	0.2
55.05504	2.3
55.21210	0.2
63.17313	0.2
63.62532	0.2
65.03941	0.6
65.88073	0.2
67.05497	1.4
69.03414	0.7
69.07057	0.7
70.60258	0.2
71.04986	0.5
71.52761	0.4
77.03919	0.4
79.05487	3.1
81.03412	0.5
81.07040	2.3
91.05473	8.8
93.07040	4.5
95.04979	1.4
95.08607	0.5
97.21139	0.2
99.04464	0.3
103.05463	1.6
105.03391	0.2
105.07024	13.0
107.04968	1.8
107.08589	2.7
109.06516	0.9
115.05431	4.0
116.06226	1.2
117.07014	3.5
119.04914	0.8
119.08573	3.0
121.06515	1.4
123.04389	0.3
127.05466	0.3
128.06213	12.9
129.07001	11.9
130.07809	1.4
131.04900	1.2
131.08559	12.2
133.06511	0.6
133.10118	0.6
135.03403	0.3
135.04410	4.1
141.06975	10.8
142.06636	0.5
142.07767	13.2
143.08551	20.7
144.05690	0.4
144.09334	4.1
145.05383	0.4
145.06471	5.4
145.09018	0.4
145.10109	5.0
146.07257	0.2
147.08038	0.8
147.11658	0.5
149.05971	3.8
152.06192	1.3
153.06981	20.9
154.07761	3.6
155.05983	0.8
155.08543	26.4
156.09326	1.6
157.06505	0.5
157.10115	13.7
158.07297	0.4
158.10902	0.9
159.04420	1.0
159.08049	6.5
159.11690	4.6
160.08780	0.3
161.06006	1.1
161.09528	0.3
165.06932	1.2
166.07770	1.2
166.23178	0.2
167.08554	5.9
168.09334	46.0
169.06480	1.2
169.10124	5.9
170.10869	0.8
171.08032	3.2
171.11673	0.4
172.08847	1.1
173.05981	3.8
173.09631	2.2
173.13254	3.9
175.07556	0.4
175.11180	1.8
178.07741	1.5
181.06509	1.5
181.10103	2.2
182.10840	0.3
183.11682	100.0
183.81371	0.2
184.12393	0.9
185.09671	0.5
185.13246	3.3
186.10373	1.8
187.07539	4.6
187.11174	6.2
193.10114	3.9
195.07980	0.6
196.08817	2.8
199.07526	0.5
199.11237	0.3
200.08261	0.6
201.09081	1.0
201.12733	18.4
211.11166	12.6
214.09903	0.9
229.12221	41.3
247.13306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1066
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
55.01867	1.6
55.05510	3.2
59.29813	0.6
61.54992	0.6
64.72575	0.7
65.03946	1.1
67.05499	1.0
69.03423	4.5
69.07053	1.0
71.62788	0.8
73.02900	0.6
76.28806	0.6
78.04684	0.8
79.05492	3.3
81.07050	4.8
83.08623	1.4
91.05485	4.7
93.07016	2.5
94.08719	0.6
95.04966	1.6
95.08598	0.8
97.10187	1.7
100.11235	1.5
103.05451	2.1
105.03403	0.7
105.07041	3.3
107.04960	1.5
107.08600	1.0
109.10175	0.7
115.05437	7.1
117.06999	2.2
119.04862	0.7
119.08496	0.7
121.06503	3.5
123.04424	2.6
125.09579	0.6
126.65266	0.6
128.06223	11.4
129.07019	15.7
130.07771	1.9
131.04924	4.6
131.08546	2.3
133.10152	0.9
135.11769	0.8
137.05942	2.1
140.04633	1.4
141.06978	14.9
142.07785	11.3
143.08566	16.1
145.06522	4.3
145.10104	2.8
148.05316	0.6
149.05942	4.2
152.06169	1.7
153.06979	6.9
154.07765	9.6
155.07172	1.1
155.08554	10.4
156.09343	19.3
157.06494	13.9
157.10124	8.6
158.07259	3.0
159.04410	10.4
159.08069	1.5
165.06984	7.2
166.07767	9.1
167.07054	23.2
167.08545	3.0
168.09358	5.1
168.10609	0.9
169.06485	10.9
169.10126	43.3
170.07266	5.9
170.10513	1.0
171.08063	8.0
171.11679	15.9
173.05962	2.0
173.09616	2.3
177.05455	5.5
181.06598	1.2
181.08578	0.7
181.10120	14.1
182.52528	0.7
183.08052	3.7
183.11690	2.9
184.08815	18.3
185.05949	9.7
185.09596	7.7
185.13287	0.9
194.07207	0.7
197.05983	2.0
197.09628	1.3
198.06688	3.3
199.07498	3.3
199.11177	59.9
200.11540	1.3
209.08032	1.4
209.09639	5.1
211.07434	0.8
212.08318	8.3
227.07013	3.5
227.10666	100.0
228.10980	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	1.6
54.05282	0.4
55.01857	1.1
55.05507	0.8
59.63652	0.3
65.03946	0.5
67.05497	1.3
69.03369	0.4
69.07062	0.7
69.59112	0.3
69.59450	3.3
73.02909	0.8
78.04704	2.7
79.05482	2.5
81.07057	1.8
83.08617	0.3
89.03905	1.2
91.05475	8.1
93.03413	0.5
93.07048	3.8
94.04165	0.5
95.04973	3.3
97.06613	0.3
97.10165	0.4
98.20786	0.7
100.11253	1.0
103.05462	6.9
105.03382	0.8
105.04494	0.6
105.06992	0.5
106.04173	2.3
107.04966	4.0
109.02862	0.6
109.06519	1.0
111.04456	0.4
117.03340	1.0
119.04916	1.6
120.05718	0.5
121.05656	0.8
121.06506	12.6
122.03626	1.2
122.06793	0.4
123.04424	7.7
123.05305	0.4
124.05221	2.8
125.09586	0.5
129.06979	0.7
131.04927	5.3
133.02866	2.0
134.03600	2.5
135.04417	1.9
137.05971	8.9
140.04659	3.8
141.06865	0.4
142.07800	0.5
143.08586	1.0
145.02867	1.3
147.04425	1.1
148.05161	1.6
149.05977	14.0
151.03908	2.0
152.04691	2.2
153.05457	0.7
153.06955	0.6
155.07057	2.4
155.08241	0.4
157.10130	0.6
159.04430	4.4
162.17535	0.4
163.03867	1.1
165.05479	1.0
166.06290	0.5
166.07759	0.7
167.07037	100.0
168.07388	1.5
171.08031	0.5
171.11736	0.6
176.04643	1.0
177.05467	26.4
178.05951	0.7
181.04935	0.7
181.08588	1.6
181.10112	1.0
183.06505	1.0
185.09636	0.4
187.00708	0.4
191.07071	0.9
194.05746	1.2
195.06445	0.9
197.08060	0.8
199.07550	0.5
199.11211	1.0
206.00420	0.4
209.08054	7.2
209.09860	0.7
212.14267	0.4
227.06935	1.1
227.08861	0.9
227.10670	2.2
227.12685	0.7
227.14465	0.6
228.17551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01874	9.8
55.05512	25.0
56.96559	3.5
57.03429	4.6
57.07072	5.3
59.05001	1.8
61.02911	2.2
65.03932	7.9
67.05505	18.7
67.24506	1.8
69.03426	18.7
69.06727	2.0
69.07070	24.6
70.88965	4.9
71.04996	23.1
73.02909	7.1
74.94444	1.7
78.04705	3.4
79.05493	29.1
81.03403	5.4
81.07059	33.6
81.89790	1.6
82.06606	2.4
83.04992	13.2
83.08620	11.7
83.52276	1.6
85.06553	8.5
86.09697	4.1
87.04463	2.4
88.00272	1.7
90.58501	1.6
91.05482	100.0
92.05816	3.3
93.03419	3.3
93.07043	32.1
95.04955	14.8
95.08614	26.6
97.06499	8.5
97.10158	10.0
98.09712	1.6
98.97578	16.7
99.04450	28.8
99.08098	2.7
100.07707	1.5
100.09411	2.3
100.11260	23.3
103.05447	10.1
105.03387	1.9
105.07032	15.6
106.04164	4.0
107.04967	14.2
107.07863	3.5
107.08590	51.4
109.06525	11.9
109.10168	18.0
110.06042	2.6
111.04449	5.5
111.08083	10.4
114.09166	2.4
115.05410	2.1
115.07577	4.0
116.98633	9.4
117.07018	2.5
119.04980	1.7
119.08563	6.4
120.05713	3.5
121.02869	2.2
121.06516	38.6
121.10139	19.4
123.04419	17.4
123.08077	10.3
123.11691	7.8
124.05283	1.9
125.06006	8.2
125.09644	16.6
131.04941	3.6
131.08578	9.0
133.10144	10.9
134.99628	1.8
135.04404	8.3
135.08031	13.6
135.11668	6.3
137.05956	5.4
137.09608	4.7
139.07515	6.5
139.11147	2.7
140.04675	8.2
141.11455	5.2
143.08527	3.0
143.10643	2.4
145.10081	4.5
147.04349	2.8
147.11728	8.3
148.05202	25.6
149.05983	29.0
149.09625	9.7
149.13278	8.9
151.03889	8.0
151.07523	2.2
151.11177	12.4
152.04634	2.7
153.05475	6.7
153.06781	1.6
153.09090	3.7
154.12317	4.2
155.07043	8.4
157.10081	2.0
158.10930	2.6
158.99675	6.2
159.04326	2.0
162.03114	3.3
163.03873	4.0
163.07584	3.4
163.11172	5.2
163.14803	7.5
163.64410	2.7
165.05421	2.1
165.12737	4.8
166.06232	5.8
166.07660	2.8
167.07033	69.2
167.10713	1.9
168.07449	2.3
169.08586	8.2
169.12315	1.8
171.07947	1.9
171.11746	4.0
173.13284	16.2
174.39343	1.8
176.04622	3.7
177.00737	10.2
177.05481	24.3
178.06194	3.3
181.05000	16.7
181.08545	4.0
181.10034	2.5
182.15411	7.3
183.13818	3.0
185.09700	1.7
191.14331	16.9
194.05745	26.1
195.06525	42.0
196.06915	1.7
199.18060	2.2
201.00682	3.4
209.08083	90.5
209.15320	12.9
210.08385	2.4
211.18816	1.8
212.08443	1.6
213.17828	6.3
217.03833	3.5
219.01788	2.8
227.07008	5.9
227.09140	10.3
227.10854	5.6
227.16411	7.0
227.18239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.56281	0.4
51.02363	0.5
53.03933	1.2
55.01863	1.2
55.05516	2.6
57.03419	0.7
57.07069	0.7
65.03939	0.8
65.48143	0.4
67.05488	1.9
69.03416	0.5
69.07057	1.8
70.06582	0.4
71.05007	0.4
71.56254	0.4
71.62543	0.5
71.62962	0.7
73.02907	1.1
78.04720	4.2
79.05499	3.8
81.03408	0.6
81.07052	2.1
83.04968	0.8
83.08617	1.6
85.06527	0.7
89.03911	1.5
91.05478	7.3
93.07046	5.2
95.04951	3.3
95.08604	1.7
97.06530	0.9
97.10162	1.3
99.08085	0.6
100.11258	1.4
101.06078	0.5
103.05470	6.5
104.17486	0.4
105.03400	0.6
105.04507	0.8
105.06995	1.4
106.04164	2.0
107.04956	3.5
107.08569	1.0
109.02896	0.5
109.06544	0.6
109.10149	0.9
111.04500	0.5
117.03371	0.8
117.34564	0.5
118.04169	0.7
119.04950	1.4
120.05708	1.1
121.05676	0.6
121.06514	11.9
121.10155	0.8
122.03644	1.4
123.04428	7.8
124.05220	3.3
125.02296	0.7
125.09638	0.7
127.07505	0.5
128.06213	1.4
129.06993	0.7
131.04922	5.2
133.02856	0.7
134.03595	2.0
135.04404	1.9
135.08041	0.5
135.11661	0.9
137.05974	8.3
140.04683	3.9
141.06975	0.9
141.73691	0.4
142.07808	0.8
143.08554	1.7
145.02818	0.9
147.04401	1.4
148.05191	2.0
149.05981	14.9
151.03854	2.0
152.04701	2.4
153.05475	0.7
153.06931	1.2
154.07805	0.5
155.07021	2.1
155.08453	1.1
156.09265	0.9
157.06526	0.8
157.10197	1.0
159.04379	3.9
163.03897	1.1
163.07524	0.8
165.05513	1.3
165.07025	0.9
166.06281	0.8
166.07764	1.2
167.07037	100.0
168.07396	1.7
168.09378	0.5
169.06439	0.5
170.07248	0.6
171.08105	1.1
171.11662	1.6
176.04694	0.9
177.05467	26.9
178.05891	0.8
179.06998	0.5
181.04974	1.1
181.06505	0.9
181.08546	1.2
181.10135	1.6
183.06494	0.9
184.05255	0.5
185.07147	1.4
185.09657	0.8
185.13281	0.5
191.07045	1.4
194.05711	2.0
195.06541	1.5
198.06795	1.0
199.07518	0.9
199.11165	3.1
201.47562	0.5
209.08043	7.7
209.09669	0.8
209.13516	0.5
215.20831	0.4
227.06956	2.0
227.10847	6.6
227.12785	1.3
227.14359	1.4
227.17841	1.4
228.17455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03932	2.4
55.01867	7.8
55.05507	7.6
57.03423	3.0
57.07074	2.3
61.02919	1.9
62.18097	1.3
62.58033	1.3
65.03938	5.4
67.05497	5.7
68.99780	2.1
69.03413	2.2
69.07068	5.8
69.76387	5.7
69.76798	3.3
70.69235	1.3
71.05003	9.2
73.02913	4.4
78.04708	3.3
78.25992	1.2
79.05482	9.3
81.03410	2.2
81.07046	7.5
83.04967	2.7
83.08610	3.1
84.04513	3.8
84.86143	1.1
85.02911	2.1
85.06540	4.5
86.09713	6.0
89.03921	1.5
91.05476	16.0
93.03417	3.1
93.07042	15.5
95.04963	14.4
95.08591	5.0
97.04016	2.2
97.06532	4.4
97.10167	1.4
98.20625	1.3
98.97585	1.3
99.04467	14.0
99.08089	3.0
100.11251	17.2
103.05461	15.4
105.03371	1.5
105.07021	4.7
106.04148	3.3
107.04948	10.4
107.08598	10.6
109.02835	1.9
109.06506	3.7
109.10123	7.0
110.03683	1.8
111.04443	4.3
111.08064	1.7
119.04951	3.8
120.05690	4.6
121.02892	1.9
121.06496	38.8
121.10149	7.2
123.04415	16.6
123.08088	3.9
123.11713	1.7
124.05209	3.6
125.05968	8.6
125.09628	5.0
127.07580	1.6
128.06221	2.5
131.04922	6.2
131.08574	2.9
133.02837	2.6
133.10153	5.7
134.03670	3.4
135.04428	5.5
135.08080	1.4
135.11707	1.6
137.05988	6.7
139.03928	2.6
139.07530	3.0
139.11191	2.0
140.04697	7.1
143.08568	1.7
147.04408	3.8
147.11737	1.4
148.05191	28.3
149.05975	31.9
149.09612	3.9
149.13240	1.7
150.03085	1.5
151.03917	9.3
151.11200	3.6
152.04701	2.2
153.05461	10.0
153.09032	1.6
154.12283	4.1
155.07048	7.2
155.08385	1.1
156.13872	2.3
157.10181	2.4
159.04396	1.8
162.03146	2.9
163.03970	3.3
163.07465	1.5
163.11169	1.6
165.05557	3.3
165.07024	2.5
166.06262	4.3
166.07730	3.2
167.07042	80.5
168.07381	1.5
169.12274	1.3
171.11691	2.2
171.14914	8.0
173.13243	3.0
176.04680	4.7
177.05463	35.6
178.06148	1.4
179.03432	1.8
181.04941	11.2
181.08696	2.7
181.10181	3.2
183.06519	1.8
184.05254	1.4
185.04698	1.7
185.09627	2.5
191.07060	2.4
191.14357	2.9
193.04938	4.3
194.05734	30.8
195.06520	53.3
199.07518	2.3
199.11122	4.2
209.08069	100.0
209.15402	5.5
210.08328	2.3
212.08400	1.8
227.07010	4.7
227.09131	14.8
227.10774	6.0
227.16043	1.6
227.17839	2.6
228.06563	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.30643	0.5
53.03928	0.8
55.01867	6.7
55.05488	2.3
57.07062	0.6
65.03934	7.9
67.05493	3.4
67.99763	0.6
69.03407	2.1
69.07053	1.5
70.54925	2.3
73.02910	43.0
79.05460	1.7
81.03386	0.8
81.07041	1.0
82.04189	2.6
83.08623	0.7
85.02895	5.6
86.09690	1.4
91.03920	1.0
91.05464	2.6
93.03397	2.4
93.07022	1.6
95.04954	6.1
95.08579	1.0
97.02884	1.2
97.06516	2.4
98.97550	1.2
100.11245	6.6
103.05425	1.4
105.07042	0.8
107.04939	1.1
107.08554	1.6
108.02097	1.6
109.02850	0.6
109.06491	1.4
109.10152	0.5
109.21861	0.5
110.03669	3.3
111.04417	2.0
119.08538	1.0
121.06549	2.8
121.10135	2.6
123.04411	10.1
123.08106	0.6
125.02332	2.5
125.05989	2.9
125.09531	0.6
128.06168	0.7
131.08551	0.5
133.10130	0.8
137.05981	0.9
138.03079	2.2
139.03874	0.8
140.04671	51.8
141.05077	0.5
142.02579	1.8
143.08560	0.8
143.10681	0.6
149.02350	0.6
149.05992	1.5
149.09605	0.7
153.05460	2.2
153.06837	0.8
155.07018	64.3
156.07379	1.0
157.09978	0.7
163.03946	0.7
166.04814	0.5
166.06316	1.1
166.07726	0.7
167.07039	7.8
171.06560	5.1
173.08084	5.7
177.00777	0.8
177.05466	2.0
178.06255	1.6
179.07086	3.1
181.04945	100.0
181.08495	3.6
181.10170	1.7
182.05266	2.2
185.09659	0.7
187.07515	0.6
193.17610	0.7
195.06619	0.9
199.07498	1.1
199.11140	1.1
209.08058	24.8
209.16470	1.5
218.23865	0.6
227.06987	2.7
227.08968	15.3
227.14075	0.7
227.17610	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02380	0.4
53.03935	1.5
55.01867	0.9
55.05492	0.7
57.03416	0.4
65.03926	0.7
67.05476	0.9
69.07053	1.1
70.06385	0.7
70.06785	1.0
73.02901	0.8
78.04703	3.2
79.05499	2.5
81.03379	0.5
81.07045	1.4
85.02872	0.4
89.03904	1.0
91.05473	7.6
93.07039	3.9
95.04953	3.2
95.08639	0.6
97.06517	0.6
99.04452	0.5
100.11237	1.3
103.05459	5.9
105.03375	0.6
105.04531	0.6
105.06989	0.5
106.04163	2.4
107.04933	4.2
107.08595	0.6
109.06499	1.3
109.10168	0.7
117.03362	0.9
119.04941	1.7
120.05663	0.7
121.06501	12.1
121.10126	0.5
122.03637	1.4
123.04425	8.0
123.08053	0.5
124.05205	3.0
128.06244	0.8
131.04919	6.0
132.01976	0.3
133.02826	1.5
133.10065	0.4
134.03673	2.1
135.04404	2.0
135.11681	0.5
137.05971	10.0
140.04680	3.9
143.08582	0.6
145.02823	1.0
147.04416	1.5
148.05188	2.2
149.05975	14.8
151.03896	1.3
152.04677	2.2
153.05486	0.4
155.07091	2.0
155.08434	0.5
157.06543	0.5
159.04398	3.8
162.03067	0.5
163.03882	0.8
163.07567	0.6
165.05495	1.3
165.06955	0.5
166.06232	0.6
166.07687	0.4
167.07031	100.0
168.07361	2.1
171.08072	0.6
171.11618	0.5
176.04713	1.1
177.05464	25.8
178.05995	0.6
179.07021	0.7
181.04950	1.2
181.06459	0.9
181.08556	1.3
181.10158	1.0
183.06555	0.6
191.07042	1.3
194.05777	1.2
195.06491	0.8
199.07561	0.8
199.11185	0.9
209.08080	6.7
209.09903	0.6
227.06964	2.0
227.08925	0.8
227.11017	2.0
227.17911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02475	0.5
53.03933	1.8
55.01859	1.6
55.05492	0.9
57.78873	0.5
62.17554	0.5
65.03922	0.6
67.01847	0.5
67.05496	0.8
71.09841	1.2
73.02902	0.9
78.04711	3.0
79.05479	2.1
80.03452	0.5
81.03407	0.6
81.07053	0.6
82.85844	0.6
83.08593	0.6
89.03896	1.0
91.05489	7.0
93.07037	3.7
94.04153	0.7
95.04965	3.8
100.11250	1.1
103.05466	5.8
105.03354	0.9
106.04159	2.1
107.04958	4.0
109.06511	1.9
115.87584	0.4
117.03351	1.2
119.04929	1.7
121.06503	12.1
121.10062	0.6
122.03638	1.3
123.04422	8.6
124.05177	2.2
129.06973	0.7
131.04929	5.8
133.02844	1.0
134.03633	3.0
135.04405	1.5
137.05980	9.0
140.04678	3.5
143.08589	0.9
145.02834	1.0
147.04440	0.9
148.05225	2.3
149.05977	14.0
151.03885	1.5
152.04668	2.0
153.05490	0.6
154.84839	0.4
155.07016	2.2
155.08310	0.6
157.10150	0.6
159.04419	3.3
163.03894	1.4
163.07567	1.0
165.05490	1.1
165.06894	0.9
167.07036	100.0
168.07364	2.0
169.04927	0.6
176.04681	0.7
177.05466	25.1
178.05917	0.8
180.07748	0.6
181.04971	0.8
181.06546	0.5
181.08585	1.7
181.10052	1.0
182.15385	0.5
184.07321	0.6
191.07074	1.2
194.05785	1.2
199.07436	0.8
199.11212	1.3
209.08070	6.6
209.09862	0.7
227.07056	1.3
227.10686	1.4
227.17990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.3
66.85841	1.9
70.15411	3.1
70.15805	5.7
73.02905	4.4
79.83813	1.9
85.02925	3.4
86.03723	2.0
94.93015	16.1
97.02938	2.3
98.21375	2.5
98.97589	3.3
101.00872	5.3
109.02924	3.7
119.01917	15.7
128.98671	2.2
131.01938	5.6
133.03499	2.2
137.02962	4.3
143.01956	4.0
145.03482	9.1
150.95580	100.0
154.51443	2.5
157.03465	3.9
159.05081	2.8
161.02968	9.1
163.04472	2.5
166.95100	4.2
169.03522	5.2
173.02948	4.6
180.96649	7.0
181.10405	2.3
185.03014	7.1
187.04521	8.9
197.02942	3.9
199.04712	2.2
202.17213	1.9
203.03969	5.9
208.96111	14.8
226.97166	25.1
245.05222	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.82904	0.9
53.03959	1.0
55.01873	5.4
55.05503	1.6
55.97939	0.8
57.03444	1.0
57.07098	1.0
65.03944	8.0
67.05499	4.3
68.55955	1.0
69.03429	1.3
69.07050	1.4
71.17572	1.1
71.17909	2.2
73.02918	39.7
77.08243	1.0
79.05479	2.2
81.64458	0.9
82.04192	2.9
85.02901	8.0
85.06554	1.2
86.48859	0.9
91.05467	2.0
93.03421	2.5
93.07040	2.3
95.04975	16.5
97.06522	2.3
99.04455	1.8
99.08084	2.2
100.11242	1.3
107.08604	2.1
108.02070	1.8
109.06506	2.1
110.03664	5.1
111.04453	2.7
121.06479	2.6
121.10176	1.3
123.04440	8.5
125.02340	3.6
125.06005	2.6
125.09612	2.7
127.07589	1.3
132.67055	1.0
138.03116	2.8
140.04681	56.2
142.02654	2.4
149.05933	1.0
149.13228	1.4
153.05449	2.9
153.09125	2.2
155.07030	53.9
159.44746	0.9
163.11224	1.1
167.07071	4.1
171.06512	6.4
173.08083	4.3
173.13188	1.3
179.07034	3.6
181.04958	100.0
181.08571	3.8
182.05341	1.3
191.14319	1.1
209.08098	19.6
209.15300	2.5
227.09076	12.7
227.16454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03936	1.8
55.01856	1.7
55.05510	2.9
57.07064	0.6
65.03911	0.5
67.05490	1.7
69.03413	0.7
69.07057	1.4
71.04980	1.5
71.63631	0.5
72.53900	0.4
73.02906	0.9
78.04709	3.0
78.22388	0.4
79.05483	3.0
81.07043	2.3
83.04964	0.8
83.08580	1.2
85.06532	0.9
86.09696	1.6
89.03896	0.7
91.05478	6.3
93.07037	5.3
95.04961	3.5
95.08606	1.4
97.06521	0.9
97.10143	1.7
99.04455	1.7
99.08083	0.6
100.11253	1.5
103.05468	7.1
105.03362	0.8
105.07033	1.0
106.04160	2.1
107.04957	4.0
107.08580	1.9
109.06518	1.0
109.10111	1.0
111.04446	0.5
111.08042	0.4
112.15141	0.4
117.03355	0.9
119.04935	1.9
121.06500	11.9
121.10149	1.5
122.03643	1.2
122.60188	0.4
123.03564	0.7
123.04422	8.4
124.05203	2.8
125.09656	1.2
128.06233	0.9
129.07013	0.5
131.04927	6.5
131.08603	0.4
133.02864	0.8
133.10136	3.3
134.03645	2.3
135.04405	1.5
135.11684	0.4
137.05972	8.1
140.04645	3.1
143.08566	0.7
145.02808	0.9
145.10094	0.6
147.04430	1.2
148.05173	2.2
149.05977	13.8
149.13358	0.5
151.03903	2.2
151.11035	0.5
152.04681	1.8
152.06175	0.6
153.05576	0.6
153.06934	0.6
155.07007	2.3
155.08408	0.4
156.09302	0.7
157.10136	0.5
159.04430	4.5
162.03156	0.6
163.03914	1.0
163.07579	0.6
163.11172	0.5
165.05511	1.2
165.06917	0.6
166.06316	0.6
166.07722	0.5
167.07037	100.0
168.04285	0.5
168.07361	1.6
169.06450	0.6
171.08018	0.9
171.11745	0.5
173.13252	0.9
176.04707	1.1
177.05470	25.7
178.06035	1.0
181.04982	1.4
181.08586	1.4
181.10081	0.8
184.08755	0.5
189.11195	0.9
191.07022	1.4
191.14278	0.8
194.05754	1.3
195.06505	1.0
197.08008	0.4
199.07620	0.5
199.11156	1.4
209.08083	7.8
212.08449	0.6
227.06967	1.7
227.08865	1.0
227.10667	3.9
227.12813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
53.03934	4.0
55.01869	4.8
55.05509	26.8
57.03429	5.4
57.07079	1.3
65.03951	1.6
67.05499	22.1
69.03437	5.7
69.07072	8.1
71.04996	7.7
71.66166	1.4
79.00677	1.2
79.05489	25.9
81.03414	100.0
81.07049	29.8
83.04980	31.2
83.08617	33.5
85.02883	3.0
85.06536	3.8
86.92559	1.2
91.04951	2.4
91.05476	29.7
93.07047	13.4
95.04961	38.2
95.08597	9.2
97.02886	4.1
97.06532	4.9
97.10178	5.4
99.04443	4.2
99.08096	2.0
105.03375	4.1
105.07026	19.6
107.04942	8.8
107.08594	9.0
108.41792	1.1
109.06492	6.8
109.10150	2.8
111.04432	3.1
111.08076	12.6
115.05437	3.0
119.04887	2.2
119.08573	15.6
121.06475	2.9
121.10147	7.6
123.04466	1.3
123.08054	3.9
123.11683	2.8
125.05948	1.2
125.09650	1.4
128.06232	1.8
129.06996	11.6
131.08562	12.6
133.06493	4.4
133.10127	10.6
139.03912	2.2
141.06993	4.6
142.07771	3.4
147.08049	3.3
147.11668	12.6
149.09598	7.3
151.07561	2.0
153.07025	2.3
154.07782	2.7
155.08527	2.0
156.09195	1.1
157.10121	14.6
161.13261	1.8
165.03700	1.9
165.05562	1.2
165.06976	3.9
165.12743	3.4
166.07755	2.4
167.07033	2.2
169.06458	1.6
169.10139	3.9
175.11209	16.8
179.08492	2.4
180.04161	1.8
182.07346	2.4
183.08014	1.4
193.03239	2.3
193.04984	1.8
193.12228	39.8
197.06004	2.0
197.09654	4.2
207.06467	1.5
207.08282	1.7
207.13820	3.0
210.06764	2.0
225.05475	4.0
225.09189	18.4
225.12801	2.8
225.14871	5.3
226.09610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.72117	1.3
55.05500	5.0
56.51173	1.3
56.96552	1.3
57.03433	2.9
57.07071	2.8
59.04981	5.3
60.73784	1.3
63.32095	1.3
67.05513	6.3
67.81763	1.3
69.03419	5.6
69.07059	5.1
69.56933	5.4
69.57373	5.3
71.04975	5.0
79.05498	7.3
81.03383	1.3
81.07055	17.5
83.04968	6.0
83.08588	1.6
85.02895	2.1
85.06529	5.3
85.47498	1.3
87.04439	2.1
91.05477	13.2
93.07033	13.0
95.04951	12.1
95.08593	12.1
97.02883	1.5
97.06538	2.3
97.10133	1.7
98.21463	2.6
99.04469	4.1
105.03407	3.7
105.07033	17.1
107.04944	3.0
107.08592	16.0
109.06517	100.0
109.10147	8.1
111.08048	3.5
111.51495	1.3
117.07009	3.4
119.04933	2.6
119.08573	17.6
121.02941	1.3
121.06444	1.9
121.10137	25.2
123.04418	2.1
123.08072	23.8
123.11704	3.5
125.09613	2.4
129.07010	2.7
130.07780	2.2
131.08569	10.5
133.02818	3.2
133.06468	1.9
133.10132	7.6
135.08067	11.5
135.11656	3.4
137.05991	5.8
137.09628	7.7
137.13228	2.3
139.11198	2.6
140.88513	1.4
141.06990	4.7
143.08563	3.2
144.09428	2.0
145.10100	8.7
147.08029	9.8
147.11708	10.4
149.09621	22.7
150.10399	3.2
151.03894	1.8
151.07547	3.2
151.11179	15.8
153.09114	2.2
156.09337	13.9
159.11699	9.9
161.09624	3.7
161.13228	7.1
163.03786	1.5
163.11169	31.4
165.05490	2.3
165.07071	1.3
165.09154	2.2
165.12776	5.8
167.07079	3.4
171.11700	20.6
174.10460	1.8
177.12775	4.1
179.14304	5.8
180.04161	3.2
189.12732	39.5
193.04956	3.5
195.06483	1.6
197.05984	2.0
197.09680	2.1
207.06561	1.7
207.13797	35.3
225.05548	10.6
225.09172	7.1
225.12755	1.9
225.14746	19.9
226.06015	1.6
226.09799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.95917	1.1
53.03942	1.4
55.05493	6.4
57.07070	6.3
59.04983	3.3
61.30140	1.4
67.05499	5.4
69.07059	5.5
70.00514	6.6
71.01345	3.0
71.04600	1.9
71.04990	38.6
71.08646	1.8
72.46741	1.5
72.69109	1.1
79.05482	5.5
79.60400	1.3
81.03418	3.3
81.07055	13.3
83.04967	3.5
83.08608	8.7
85.02890	2.7
85.06523	4.0
91.05485	7.4
93.07029	4.7
93.68475	1.1
93.88878	1.3
95.04969	3.8
95.08605	13.5
97.06525	16.4
99.04450	100.0
99.08096	1.8
105.03370	2.0
105.07006	6.7
107.05009	2.1
107.08594	41.1
109.06512	27.4
109.10152	5.3
111.08065	2.3
111.11785	3.1
112.21732	1.4
113.05981	1.3
113.09633	4.3
119.08569	6.0
121.06491	2.7
121.10139	13.7
123.04408	1.7
123.08064	20.7
123.11694	21.2
125.05963	2.0
125.09632	8.9
128.06238	2.3
131.08595	2.6
133.02908	1.2
133.10121	3.6
135.04413	1.5
137.06026	3.0
137.09637	2.2
137.13251	4.2
139.11156	4.2
141.07001	2.1
141.12712	2.6
147.11678	9.6
149.00967	1.5
149.09641	13.3
151.07516	2.7
153.05577	1.3
153.06955	3.1
153.12723	1.4
154.07759	4.0
155.10606	1.4
156.09300	1.2
161.09634	2.1
161.13243	1.9
163.11189	3.1
165.05621	2.0
165.06973	19.3
165.09071	2.0
165.12766	14.5
166.07764	4.2
167.07022	4.1
167.08514	4.9
167.10681	27.5
169.10127	1.7
171.08035	2.0
171.11740	2.2
175.03851	1.4
179.08626	2.3
179.10689	1.8
179.14339	2.1
180.04182	3.6
181.06470	5.3
182.07240	13.2
183.08052	1.6
183.13795	41.4
189.12753	5.5
193.04912	1.5
193.06558	2.3
197.06059	1.4
197.09644	15.5
207.06520	3.6
207.13782	11.3
210.06738	4.3
216.68602	1.1
225.05658	1.7
225.07135	2.0
225.09120	34.1
225.12764	2.9
225.14786	19.3
226.09695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01842	2.0
55.05513	6.7
56.96576	1.5
57.07072	4.1
59.05005	4.3
59.74354	1.5
67.05516	9.7
69.03410	4.7
69.07062	4.6
70.53941	4.6
70.54358	3.1
71.04983	2.0
71.98985	1.6
79.05496	5.4
81.07052	23.4
83.04980	3.7
85.02905	100.0
85.06543	3.2
85.63342	1.6
91.05486	5.8
93.07034	7.7
93.87174	1.7
95.04975	3.0
95.08607	37.3
97.06553	2.5
99.04440	3.8
105.03378	2.2
105.07049	6.7
107.04916	2.5
107.08602	8.1
109.06519	6.4
109.10137	12.7
113.06087	3.3
119.08583	6.9
119.97609	1.5
121.06467	3.4
121.10147	12.9
123.08076	21.3
123.11703	83.4
125.05986	7.5
128.15997	1.9
131.08548	2.2
133.10211	2.2
135.11671	2.2
135.96544	1.5
137.05954	3.6
137.09538	2.6
141.09129	2.5
145.10152	3.9
147.07997	2.6
147.11717	5.3
149.09648	12.7
151.07555	5.3
151.14790	3.0
161.13216	4.1
163.11203	3.3
165.05444	2.0
165.09103	6.8
165.12698	4.2
167.07069	1.9
174.10446	2.0
179.14320	4.1
180.04271	1.9
189.12679	8.6
193.04922	2.4
197.09540	1.8
207.13800	29.0
225.09290	1.8
225.14851	9.7
242.56575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03932	1.7
54.05903	1.0
55.01855	2.1
55.05509	6.7
56.72852	1.4
57.03418	4.5
57.07051	2.4
59.04975	3.7
65.03939	1.6
66.85727	1.1
67.05504	7.7
69.03416	4.0
69.07062	3.8
71.04992	15.4
71.64603	1.5
74.96189	1.1
79.05487	8.6
81.03435	1.5
81.07057	16.3
83.04971	5.6
83.08619	2.7
85.02893	3.1
85.06521	4.5
91.05478	10.4
93.07056	10.4
95.04961	9.4
95.08605	12.6
97.06504	3.5
99.04456	29.0
100.28423	1.2
103.05457	2.3
105.03372	2.5
105.07029	19.4
107.04927	2.8
107.08593	16.5
108.52293	1.2
109.06514	100.0
109.10134	5.4
111.04443	2.6
111.08094	2.7
113.09631	1.7
115.05452	1.2
116.98516	1.3
117.07017	2.9
119.04903	2.4
119.08570	16.9
121.10133	26.0
123.04408	1.6
123.08065	25.9
123.11696	7.2
125.05986	2.0
125.09543	2.7
129.06918	1.3
129.47205	1.2
130.07796	1.8
131.08572	9.4
133.10112	7.9
135.08057	9.1
135.11674	2.5
137.05984	3.9
137.09610	4.3
141.06982	5.5
143.08516	4.0
145.10133	9.8
146.95769	1.2
147.04385	1.6
147.08057	9.1
147.11684	10.6
149.09628	21.7
150.10397	1.9
151.07512	4.1
151.11188	6.8
153.05449	2.5
156.09344	15.6
159.11671	10.3
161.09660	1.8
161.13228	6.8
163.11186	23.1
165.06995	2.1
165.09140	2.9
165.12753	6.7
167.07042	5.0
167.10689	6.6
171.11697	18.6
174.10367	1.8
177.12700	3.0
179.10724	1.6
179.14278	6.2
180.04077	2.7
181.06488	1.5
182.07190	1.8
183.13730	7.6
189.12743	35.9
190.13077	1.2
193.04855	1.5
197.09583	2.3
205.04471	1.4
207.06358	1.4
207.13802	26.3
225.09239	7.6
225.14812	14.9
226.05220	3.7
238.85036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.7
69.40215	0.7
70.17751	2.9
75.54784	0.7
81.07046	0.7
81.47847	0.7
82.99833	1.3
84.96033	3.7
93.56039	0.6
98.97601	2.7
101.00871	10.7
115.21170	0.7
116.98630	2.5
119.01916	63.1
120.01978	1.9
134.99838	5.7
137.02950	22.0
138.03180	0.8
140.98779	1.9
142.03502	5.1
153.00920	3.6
158.99870	4.8
159.99930	1.1
160.04523	2.2
161.02861	0.7
173.01329	0.9
175.02809	0.9
177.00949	100.0
178.01041	10.7
179.00783	2.2
179.04010	3.3
181.84468	0.7
182.99744	2.3
183.06198	1.0
184.04443	0.9
193.04048	1.6
195.02028	1.7
200.02554	2.5
201.00832	9.1
201.02527	1.9
202.02574	1.3
202.05592	1.2
217.04048	10.8
218.04028	1.4
219.01996	89.9
220.02081	16.1
221.01837	1.5
224.02467	0.8
225.00917	2.4
226.05550	0.8
242.03604	3.5
242.83151	0.9
243.01921	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	225.0757
Annotation	Sepedonin
Peak:m/z	Relative Intensity
53.03934	4.8
53.60941	1.4
55.01859	6.2
55.05491	5.8
56.96544	1.8
57.03420	4.6
57.07063	4.7
65.03933	8.2
66.04716	2.7
67.05499	12.5
68.99788	2.6
69.03411	7.1
69.07061	7.4
69.60606	3.8
69.61013	11.6
70.06558	2.8
71.04994	9.5
77.03932	3.6
79.05486	17.9
80.06328	1.2
81.03405	5.9
81.07053	28.2
83.04976	12.4
83.08617	3.0
83.12070	1.5
84.08124	6.0
85.02903	49.8
85.06538	2.9
86.09703	2.4
89.03909	3.9
91.05478	79.7
93.07034	12.1
94.04185	2.4
95.04962	28.1
95.08611	13.1
97.02879	4.4
97.06521	6.9
98.21590	1.9
98.23207	1.5
99.04458	19.7
100.86734	1.6
103.05459	4.1
105.03400	13.3
105.04474	2.0
105.07024	14.2
107.04948	39.6
107.08598	17.3
109.06513	20.9
109.10145	10.4
111.04448	3.7
111.08070	3.5
113.05980	1.8
113.92371	1.5
116.98579	2.1
118.04147	6.6
119.04936	64.8
119.08566	15.5
120.08139	1.9
121.02856	4.0
121.06510	5.9
121.10137	16.1
122.03627	4.9
123.04430	18.0
123.08042	13.5
123.11695	36.6
124.05190	2.1
125.06008	12.2
125.09616	4.2
129.06987	2.4
131.04881	1.9
131.08517	3.9
132.02055	7.0
133.02859	17.2
133.06444	2.4
133.10074	5.7
135.04419	19.8
135.08037	4.5
135.11652	2.3
136.05168	2.5
137.05957	28.0
137.09584	4.6
137.13225	2.4
139.03874	6.1
139.07512	2.9
139.11121	2.7
140.04659	2.5
143.08543	2.8
145.10075	4.5
146.03636	3.6
147.04408	54.5
147.08054	4.3
147.11668	9.7
149.02301	8.7
149.05954	1.8
149.09642	13.3
150.03075	4.0
151.03868	4.3
151.07539	8.1
151.11211	2.5
153.05453	5.9
154.07663	2.4
155.07082	2.8
157.03958	5.0
161.02318	5.4
161.09624	7.7
161.13232	6.0
163.03894	29.3
163.11197	14.1
164.04648	8.4
165.01810	12.0
165.05496	25.5
165.06911	4.4
165.09154	4.0
165.12726	3.9
167.07024	17.0
167.10680	5.2
168.10260	1.6
169.04851	2.4
169.08630	2.2
171.11726	1.8
174.03200	1.8
175.03899	78.6
177.01851	3.5
179.03427	3.4
179.07068	7.5
179.10678	3.2
179.14330	4.2
180.04167	66.1
181.04889	3.1
181.06432	3.0
181.12242	3.7
182.05649	4.4
183.06511	15.3
183.13828	2.2
189.12798	7.6
192.04158	23.0
193.04942	47.0
193.06725	2.3
194.05554	2.3
195.06532	17.4
197.06244	2.2
197.08054	7.6
197.09639	2.8
207.06517	100.0
207.09940	3.4
207.13770	21.6
209.04445	2.1
210.05107	2.8
210.06862	2.2
213.07570	2.1
224.28419	2.0
225.03995	5.6
225.07329	31.8
225.09196	10.5
225.12891	3.5
225.14845	20.6
225.22205	2.1
226.05472	3.2
231.43011	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	223.2055
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
53.03937	5.8
55.05501	22.2
57.03421	5.9
57.07060	21.8
58.49098	5.0
67.05498	47.5
69.07068	38.0
71.04994	6.2
79.05472	23.4
81.07052	80.6
83.08607	22.7
85.06513	15.7
88.43871	5.1
91.05461	18.9
93.07034	52.5
95.04961	12.0
95.08026	9.4
95.08599	90.6
96.14110	5.0
97.06532	10.5
97.10173	7.2
105.07002	15.9
107.04934	9.8
107.08591	53.7
108.14856	4.4
109.10148	100.0
111.08079	8.0
115.49717	4.2
117.07027	6.4
119.08573	10.5
121.06505	6.2
121.10158	29.2
123.08087	6.2
123.11687	22.7
131.08568	12.3
135.11670	21.8
144.93594	4.9
145.10014	5.0
149.02335	38.5
149.09595	5.9
149.13235	49.9
162.03075	9.3
163.03807	6.2
163.11208	6.6
163.14801	22.9
165.06963	8.8
165.16406	17.0
166.07710	4.7
167.07114	6.1
167.08534	9.6
170.72647	4.9
177.05482	5.5
179.06992	6.5
179.08521	8.2
181.10083	14.1
187.14777	5.4
190.02570	12.2
193.10104	27.4
194.10890	6.2
195.11694	9.8
205.04773	4.7
205.12186	6.2
205.19487	29.9
208.03639	10.6
208.12479	10.9
223.05917	50.2
223.11224	9.5
223.13165	14.2
223.14812	42.1
223.16911	14.7
223.20532	17.5
225.04250	17.4
227.02138	10.0
229.68730	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	224.128
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03946	0.7
55.05507	1.0
55.94452	0.6
56.96567	0.9
57.07096	0.7
58.06596	3.1
59.05016	1.6
59.06124	0.8
63.28613	0.6
67.05496	0.8
68.05031	2.3
70.06601	1.5
70.20152	3.1
72.08167	1.4
79.05492	5.0
81.04533	1.0
82.06587	0.9
83.04963	1.0
83.27180	0.6
84.08160	0.8
85.02927	0.9
91.05470	8.2
91.05926	0.6
93.07056	2.3
94.06547	0.6
95.04985	1.9
95.08619	1.1
97.02895	0.9
97.07650	0.8
97.69980	0.6
98.21529	0.6
98.97593	0.9
103.05459	12.0
104.04980	0.7
105.03398	0.8
105.07030	33.3
107.04952	4.8
109.06486	1.6
109.07628	0.8
111.04462	0.7
115.05477	1.2
116.98666	0.7
117.05784	0.7
117.07011	1.7
118.06541	14.1
119.04925	1.1
119.07331	2.0
119.08520	1.0
120.08110	20.0
123.04430	0.7
125.06039	1.0
128.06224	5.8
129.32857	0.7
130.06538	2.4
131.04936	3.2
131.07295	2.8
131.08531	1.3
132.08086	2.0
133.10144	0.9
134.99683	0.7
136.07573	0.7
137.05969	0.8
139.03922	0.7
141.20892	0.6
143.08551	3.4
147.04375	1.0
149.05978	0.9
151.07587	0.7
160.11217	100.0
161.11530	1.9
163.11180	2.2
164.06982	0.9
165.05499	0.8
175.03867	1.4
178.12267	82.9
179.12541	1.3
185.54233	0.6
189.57307	0.6
199.22470	0.6
206.08212	0.6
206.09961	1.0
206.11763	13.6
207.06494	1.4
207.12259	0.8
224.07040	1.1
224.09161	2.3
224.12798	31.3
225.04002	1.5
225.13000	0.8
226.04343	4.4
228.02406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2055
Annotation	Laggerol
Peak:m/z	Relative Intensity
55.05253	2.6
55.05506	32.9
57.03415	4.5
57.07073	11.7
59.04977	2.4
67.05173	3.0
67.05500	48.6
69.07059	50.6
69.48131	8.8
69.48552	10.1
71.04989	9.0
71.08621	4.2
71.88506	1.7
79.05479	18.0
81.06572	3.3
81.07047	58.2
83.04964	4.4
83.08612	100.0
85.06522	7.0
85.10160	6.5
91.05473	4.8
93.07037	31.9
95.04949	2.7
95.08599	50.4
97.06505	4.1
97.10159	11.7
99.08077	4.2
105.07029	5.0
107.08571	20.4
108.13265	1.9
109.10150	38.6
111.08076	6.0
111.11688	4.9
113.09615	5.1
121.10140	22.6
123.11691	18.3
125.09612	3.6
126.33921	2.0
127.11148	3.7
131.08536	2.1
133.10075	1.9
135.11678	36.4
137.13237	4.8
139.11147	2.1
141.12714	3.0
149.02312	9.7
149.13254	17.4
163.03815	1.8
163.11095	2.4
163.14816	3.8
164.49794	1.9
165.07047	2.6
166.07713	1.7
167.08575	3.7
179.08519	3.5
181.10078	5.6
190.02666	2.3
193.10109	11.4
194.10886	2.6
195.11674	6.7
205.19519	37.0
208.12335	7.3
223.05943	10.5
223.14932	29.4
223.16925	3.2
223.20549	45.2
225.04274	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	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20924	0.6
52.14265	0.8
54.70968	0.8
56.96574	3.6
70.80476	2.3
75.52512	0.7
79.05504	1.0
83.42770	0.7
84.96037	3.7
95.04984	1.4
95.08604	1.7
98.97585	3.1
101.00871	9.5
102.97055	0.8
105.03391	1.4
107.08604	1.0
116.98584	4.0
119.01923	60.9
120.02045	1.5
121.10035	1.0
134.99786	5.7
136.04582	0.9
137.02966	22.9
138.03105	1.1
140.98816	0.7
142.03540	6.3
153.00955	3.8
158.99893	4.2
160.04527	2.2
161.02957	1.6
173.01222	1.6
175.03032	1.0
177.00957	100.0
178.01068	9.6
179.00774	2.4
179.03973	4.3
182.99753	2.9
183.06230	1.2
184.04530	1.0
193.04135	2.7
195.02068	2.4
200.02504	3.3
201.00789	8.5
201.02513	3.3
202.02571	1.8
202.05516	2.1
217.04099	7.6
219.01997	88.1
219.94594	0.9
220.02103	15.1
221.01851	1.7
225.00938	3.2
225.04202	1.1
225.09349	1.9
225.14973	0.8
242.03499	4.1
243.01900	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
52.45720	1.1
53.03951	2.3
55.01876	3.9
55.05505	9.4
56.96574	1.9
57.03429	1.5
57.07081	8.7
59.04983	4.7
59.33804	1.2
61.02917	4.9
67.05506	18.9
69.03436	2.9
69.07076	11.1
71.05003	22.6
71.64257	2.9
78.59856	1.3
79.05502	16.4
81.03416	5.5
81.07058	100.0
83.04987	5.7
83.08612	5.4
85.06528	4.6
91.05479	14.8
93.07046	26.5
94.07380	1.3
95.04980	7.3
95.08607	80.1
97.06528	14.4
97.10146	1.9
99.08103	9.8
105.07027	68.6
106.07376	1.5
107.04947	6.7
107.08592	47.5
109.06525	8.1
109.10151	8.9
111.08080	18.8
113.09645	72.7
115.05423	2.6
117.07022	6.0
119.04931	1.6
119.08574	25.3
121.02872	2.0
121.06499	5.8
121.10146	20.4
123.08083	10.0
123.11722	3.9
125.09641	5.4
129.06982	2.6
131.08575	19.0
133.10143	7.1
134.03651	1.5
135.04433	4.0
135.08078	6.1
135.11729	8.7
137.05948	1.7
137.09628	21.7
137.13361	1.6
141.06909	1.4
143.08540	2.2
144.09242	1.6
145.06543	1.4
145.10124	41.1
145.11273	2.6
147.11694	28.8
149.02347	14.3
149.09587	3.6
149.13229	2.1
152.06227	7.3
159.11676	8.5
161.13263	30.9
162.03116	5.3
163.03944	4.4
163.07532	2.9
163.11208	8.9
163.14824	38.4
165.07034	7.3
165.12794	5.6
166.07733	2.8
167.07248	2.1
167.08585	14.4
167.10670	1.5
177.05551	2.7
177.07025	2.1
177.12767	34.0
177.16357	9.0
179.03374	2.8
179.08513	3.3
181.08617	1.8
181.10074	2.5
187.14816	24.9
190.02672	5.7
193.10152	3.4
195.06453	2.5
195.08055	16.4
195.11699	2.0
205.12230	3.0
205.15884	45.3
207.02960	2.7
208.03683	5.6
208.12468	3.8
223.04012	2.9
223.05997	23.0
223.07628	15.1
223.11156	8.1
223.13002	15.1
223.15123	1.8
223.16850	20.8
225.04231	9.0
227.02209	2.6
241.08658	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	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
62.42945	0.4
70.11414	1.2
70.11829	0.5
78.04337	0.4
78.04712	4.4
79.05468	0.6
84.78741	0.3
85.47858	0.3
91.05473	0.6
92.02623	0.3
95.04971	0.6
105.03400	1.4
106.04189	3.2
107.04958	2.0
107.08600	0.6
118.04172	0.4
121.06434	0.5
121.10147	0.4
123.04443	0.4
125.19603	0.4
133.02823	0.9
134.03630	5.7
135.04411	9.7
135.08005	0.4
139.07481	0.4
144.02095	0.6
149.02341	0.7
150.03088	0.5
151.03792	0.6
152.04675	0.4
161.02316	1.1
162.03125	25.6
163.03891	11.8
165.01724	0.5
167.06982	0.9
169.53004	0.3
178.02570	1.0
179.03394	9.8
180.04170	1.6
190.02605	34.3
191.03069	0.7
193.01294	2.9
194.02112	3.2
195.06589	2.0
205.01219	0.7
207.00911	0.8
207.02876	14.8
208.03661	25.8
209.04024	0.4
223.06004	100.0
224.06375	2.5
225.04256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03937	0.5
55.01871	0.4
55.05493	0.3
63.90927	0.3
69.76540	1.0
69.76955	0.9
72.86503	0.3
77.25918	0.3
78.04701	3.1
79.05483	1.9
81.03384	0.4
81.07037	0.5
89.03916	0.4
91.05474	1.1
93.07030	0.8
95.04948	1.1
95.08617	0.4
97.06544	0.4
97.08285	0.3
98.20683	0.3
101.99841	0.3
105.03377	1.1
106.04185	1.7
107.04955	15.6
107.08555	0.4
117.03350	0.3
118.04149	0.5
119.04948	0.4
121.02874	0.4
121.10110	0.5
125.09633	0.3
133.02844	0.8
134.03630	5.0
135.04424	5.4
145.03926	0.9
145.46205	0.3
149.02306	1.1
149.05989	0.3
150.03165	0.5
151.03900	0.4
152.04608	0.4
152.06229	0.6
161.02303	1.0
162.03122	20.7
163.03918	8.6
165.01842	0.8
167.07018	0.9
167.08557	1.1
177.01804	0.4
177.06906	0.4
178.02650	0.8
179.03375	6.2
179.06993	0.5
180.04164	1.7
181.04730	0.3
190.02611	25.1
191.03372	1.5
193.01317	2.2
194.02158	2.4
194.22255	0.3
195.06459	1.3
195.08081	1.1
205.12308	0.5
207.02895	9.8
207.46088	0.3
208.03673	16.0
223.05997	100.0
224.06355	2.4
225.04236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.01863	0.3
55.05502	0.4
59.04974	0.3
60.84557	0.3
67.05482	0.7
69.03407	0.5
70.06575	0.5
71.04964	0.6
71.62310	0.5
73.73463	0.3
74.07350	0.3
78.04288	0.3
78.04708	4.3
79.05500	1.4
81.03393	0.6
81.07030	0.8
81.54971	0.3
83.04946	1.0
83.08607	0.4
84.08118	0.4
85.06512	0.4
91.05444	0.8
93.03391	0.3
93.07020	1.1
95.04935	0.8
95.08606	0.7
97.06541	0.4
103.05491	0.3
105.03368	1.1
105.07016	1.0
106.04168	2.8
107.04959	2.0
107.08572	1.1
109.06532	0.3
109.10071	0.3
111.08052	0.4
114.04592	0.3
117.03283	0.3
117.06967	0.4
118.04155	0.5
119.08565	0.8
121.02835	0.3
121.06472	0.8
121.10118	1.0
123.04408	0.7
123.08045	0.6
133.02817	1.0
133.10101	0.4
134.03624	5.2
135.04411	9.3
135.08054	0.8
135.11702	0.6
137.05940	0.5
139.07477	0.6
144.02089	0.3
145.06441	0.5
145.10088	0.8
149.02350	1.8
149.05965	0.5
149.09596	0.6
150.03171	0.4
151.07494	0.3
152.06198	0.4
159.08043	0.4
159.11676	0.7
161.02301	1.0
162.03117	21.9
163.03896	9.7
163.07474	0.4
163.11179	0.5
165.01813	0.5
165.09070	0.3
167.07011	0.8
167.08492	0.6
177.01880	0.4
177.05415	0.6
177.06866	0.4
177.09053	0.6
177.12694	0.6
178.02643	0.7
179.03381	9.0
179.06967	0.4
180.04117	1.4
187.14818	0.3
190.02600	30.3
191.03192	1.1
193.01297	2.9
194.02078	2.8
195.06502	1.8
195.08067	0.8
198.06847	0.3
205.01283	0.7
205.08420	0.4
205.12106	0.7
205.15833	0.3
205.44193	0.3
207.00888	0.7
207.02878	14.5
208.03653	24.1
209.03954	0.7
223.05995	100.0
223.16864	1.2
224.06349	2.1
225.04291	1.0
227.02112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.03390	1.2
53.03934	3.9
53.23447	1.2
55.01852	2.0
55.05506	20.1
57.03403	1.5
57.07068	6.3
59.04979	5.6
65.03934	2.7
67.05500	25.5
69.03435	2.9
69.07066	44.5
70.06577	2.8
71.04978	4.3
71.25142	1.7
71.25471	1.8
74.27926	1.2
79.05059	1.9
79.05490	24.8
81.07050	100.0
83.04978	3.0
83.08611	12.6
85.06523	4.2
91.05476	14.3
93.07040	29.5
95.04962	5.7
95.08599	46.0
97.06514	4.6
97.10165	3.3
99.08056	2.8
105.07024	33.4
107.04897	1.4
107.08588	40.2
109.06528	9.6
109.10147	34.0
111.08099	6.8
111.11739	6.8
113.09620	1.6
119.04931	1.3
119.08570	31.2
121.06488	2.1
121.10130	26.3
122.20718	1.2
123.08039	5.0
123.11708	16.1
124.12067	1.2
125.09615	8.3
131.08572	3.2
133.06444	1.9
133.10124	27.7
135.08032	1.9
135.11693	11.2
137.05952	3.0
137.09589	7.8
137.13248	3.6
139.11159	4.0
143.08545	1.9
145.10081	2.7
147.07982	4.1
147.11687	26.7
149.13274	6.0
151.11162	3.5
153.12787	1.9
156.89586	1.4
157.10239	1.2
159.11713	2.3
161.05946	1.2
161.09648	2.0
161.13252	13.6
163.11118	1.4
163.14835	7.9
165.05573	1.5
165.06985	2.0
165.09079	2.6
165.12766	5.0
175.11182	2.6
175.14824	5.3
177.09003	1.6
177.16469	1.4
185.13332	1.5
203.10727	1.6
203.14316	2.8
203.17949	16.9
204.44830	1.1
206.10878	3.1
206.16191	1.8
221.07951	1.5
221.09776	2.9
221.13274	3.6
221.15332	7.5
221.19046	31.6
222.07433	1.3
222.19125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	(+-)-Carnegine
Peak:m/z	Relative Intensity
54.69177	0.6
60.11988	0.5
66.89941	0.5
71.35332	0.8
71.35678	1.0
79.05483	0.8
84.08186	0.5
84.62489	0.5
91.05471	2.0
105.07012	1.7
107.80817	0.6
117.06985	2.1
119.08564	1.6
121.06480	2.5
129.06917	0.9
131.04926	0.7
131.08586	0.7
133.06491	1.3
134.03630	0.7
134.07214	0.8
135.08046	1.1
137.05957	0.9
144.05733	0.7
145.06461	2.5
147.08075	3.0
148.08698	0.9
149.05980	2.0
149.09566	1.1
150.06744	2.6
151.07512	2.3
159.08061	2.1
160.08841	17.2
161.06004	1.5
161.08322	1.9
161.09575	1.4
163.07568	2.2
164.08334	8.7
165.09119	11.6
166.09698	0.9
174.10397	1.6
175.09941	0.6
176.08321	8.7
176.10643	0.8
178.08600	1.2
178.09908	8.1
179.10672	59.9
180.11023	1.0
190.12326	1.3
191.10675	32.0
193.12286	15.5
205.12233	2.0
207.12575	1.8
211.62764	0.6
222.14888	100.0
223.15251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.05498	0.3
67.05505	0.4
69.07050	0.3
69.60565	1.0
69.60992	1.3
70.06596	0.3
78.04265	0.3
78.04707	5.1
79.05488	0.9
81.03397	0.3
81.07039	0.4
90.78843	0.3
91.05463	0.5
93.07074	0.4
95.04955	0.6
105.03392	0.8
105.07041	0.4
106.04178	3.6
107.04936	2.7
107.07833	0.2
107.08565	0.7
109.06498	0.4
110.03630	0.4
117.03345	0.4
118.04131	0.3
119.08675	0.3
121.02840	0.3
121.06499	0.3
121.10126	0.9
133.02850	0.9
134.03630	4.9
135.04417	6.5
137.02365	0.3
137.09723	0.3
146.03630	0.3
149.02327	0.8
150.03122	0.4
152.06145	0.7
156.21182	0.3
161.02325	0.6
162.03122	28.9
163.03912	8.6
163.11172	0.3
165.01874	0.5
165.06902	0.4
167.07001	0.7
167.08546	0.9
177.01764	0.4
177.05495	0.4
178.02615	0.3
179.03395	6.8
179.06990	0.5
180.04121	1.1
190.02614	32.4
191.03084	0.8
193.01271	2.3
194.02069	2.1
195.06473	0.8
195.08058	1.3
205.01277	0.5
206.87611	0.3
207.02892	9.8
208.03667	25.5
209.03961	0.3
223.05998	100.0
224.06297	2.2
225.04260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.6
54.82235	2.4
55.05502	14.6
57.03421	3.0
67.05501	33.6
69.07061	19.3
71.03354	8.2
71.04993	3.0
77.02734	2.3
79.05486	20.0
80.50578	2.2
81.07050	100.0
83.04946	3.2
83.08604	9.3
85.06500	3.8
91.05474	18.5
93.07039	47.0
94.89669	2.4
95.08600	89.1
97.06514	10.3
97.10167	7.3
103.80267	2.9
105.07021	41.9
107.08586	68.1
109.06506	3.4
109.10144	43.6
111.08097	7.7
116.38461	2.6
117.07037	2.5
119.08571	37.9
121.10131	40.2
123.08069	2.7
123.11686	23.7
125.09612	7.8
133.10127	26.1
135.11697	13.6
136.12192	2.5
139.11171	4.4
145.10139	2.9
147.10617	4.2
147.11685	47.4
147.47926	2.7
149.13261	12.9
151.11176	11.0
157.10841	2.9
161.13235	24.3
161.46454	2.7
163.14815	65.0
165.12723	7.7
168.83014	2.4
174.29373	2.8
175.14835	11.8
177.16418	3.3
178.07780	5.7
203.17943	75.9
203.19724	5.3
221.09663	6.1
221.19012	63.7
233.57791	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	1.2
55.05508	5.6
57.07056	4.0
59.04995	1.4
67.05496	13.2
69.03395	1.3
69.07060	11.5
71.04988	16.3
71.65067	1.8
79.05482	14.5
79.15177	0.9
81.06569	1.7
81.07050	33.4
83.04941	2.1
83.08620	4.8
85.06522	2.9
91.05463	13.3
93.07036	22.7
95.04951	3.5
95.08599	54.9
97.06501	1.9
97.10161	1.9
101.20662	1.1
105.07021	35.6
106.07339	1.2
107.04968	1.8
107.08589	54.7
109.06483	3.4
109.10149	25.3
111.08043	3.1
115.05444	1.1
117.07018	1.5
119.04821	1.0
119.08572	30.0
121.06480	3.2
121.10133	27.6
123.08029	2.3
123.11678	6.1
125.09606	2.4
128.06183	2.6
129.07002	6.1
131.04910	1.2
131.08554	4.2
132.05630	1.2
133.06487	3.1
133.10124	25.4
135.08084	2.2
135.11659	10.2
137.05931	1.5
137.09593	3.6
137.13228	3.3
143.08559	4.2
144.09418	0.9
145.10109	4.0
145.81517	1.0
146.07329	1.6
147.04398	1.6
147.08049	1.8
147.11670	45.9
148.11998	1.4
149.09523	1.4
149.13243	3.0
151.07504	1.1
151.11029	1.8
151.14795	1.9
157.06448	2.4
157.10136	2.2
159.11697	2.8
161.05962	1.5
161.09630	5.8
161.13258	15.5
163.11177	2.4
163.14824	23.6
165.12708	2.9
170.10941	1.3
171.07959	1.8
174.06679	1.7
175.07509	3.7
175.11179	2.7
175.14819	10.0
177.09085	1.6
177.16411	10.8
178.07715	1.8
179.10698	1.3
179.14230	1.1
185.13269	2.8
189.09050	4.2
193.10098	1.1
203.10730	4.9
203.14214	4.4
203.17937	100.0
204.18329	1.7
206.07315	1.2
206.11087	1.3
206.16159	3.4
221.04427	3.0
221.07912	2.6
221.09679	2.5
221.11696	4.4
221.13390	2.1
221.15358	10.1
221.19009	29.5
222.11331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	3.6
55.05510	15.7
57.07065	7.5
59.05003	4.4
60.84543	2.3
65.12980	2.5
67.05503	23.3
69.07063	31.1
70.18869	10.6
71.04979	5.3
79.05475	15.4
81.07053	63.5
83.08624	11.2
85.06496	2.9
91.05475	11.6
93.07050	23.0
95.04964	3.3
95.08602	100.0
97.06520	11.1
97.10141	8.3
99.08047	2.4
105.07028	34.6
107.08588	50.4
109.06527	3.7
109.10149	61.4
111.08082	8.0
111.11708	3.4
117.61995	2.1
119.08570	40.1
121.10139	32.1
123.08051	3.7
123.11696	29.8
124.70927	2.4
125.09621	10.0
133.10126	41.4
135.08028	2.5
135.11647	13.6
137.09630	4.0
137.13272	10.9
139.11183	2.7
145.10101	3.0
147.11681	44.7
149.13216	13.9
151.11182	6.7
161.13239	25.7
163.14815	43.6
165.09106	3.9
165.12762	5.4
167.30292	2.5
175.14761	13.2
177.16327	11.9
193.07007	2.1
193.19489	3.1
203.17958	80.3
204.18245	3.1
206.03114	2.0
206.10918	2.4
206.16304	3.0
221.13391	3.7
221.15405	6.7
221.19006	98.1
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
51.47253	1.7
53.03928	2.3
55.05507	20.6
57.03426	2.4
57.07056	6.5
59.04982	2.6
65.03934	2.2
67.05502	30.2
69.07061	28.5
70.76196	6.6
71.04976	5.2
79.05484	19.5
79.16010	2.1
81.07053	100.0
83.05006	2.1
83.08614	17.2
85.06541	5.1
91.05471	18.9
93.07037	51.8
95.04945	3.6
95.08602	99.4
97.06507	9.8
97.10168	4.7
99.08083	5.4
105.07028	52.6
106.07373	2.3
107.07848	4.0
107.08590	77.3
109.06508	5.6
109.10149	60.3
111.08070	13.5
111.11734	4.0
119.08581	52.7
121.10135	42.0
123.08065	4.8
123.11703	25.0
125.09618	7.4
127.11160	2.3
131.08516	5.8
133.06416	2.0
133.10121	37.7
135.11678	29.9
137.05948	2.2
137.13260	6.5
138.78636	1.8
139.11200	2.8
145.10196	3.2
147.10518	3.5
147.11679	64.3
149.13286	13.7
151.11188	5.3
159.11703	4.5
161.09610	2.5
161.13268	24.3
163.14810	31.2
165.12776	4.4
175.14883	15.7
177.16371	15.6
189.09052	1.9
201.39455	1.8
203.10782	3.4
203.17955	93.2
221.11682	4.8
221.15549	3.4
221.19005	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.45273	2.0
52.20237	1.9
53.03918	2.1
55.05510	12.6
57.07063	5.4
59.04967	2.1
67.05505	19.4
69.07075	17.9
70.76082	7.3
71.04989	8.4
71.08622	2.8
72.98168	2.1
79.05487	16.9
81.06598	2.6
81.07059	48.5
83.04962	2.3
83.08604	9.1
84.49538	2.1
85.06510	5.3
88.52806	2.0
91.05478	13.0
93.06480	3.1
93.07043	40.8
95.04942	5.4
95.08603	59.5
97.10155	2.8
99.08083	2.6
105.06406	3.6
105.07040	50.0
107.07876	3.5
107.08589	71.6
109.06488	3.7
109.10149	55.5
111.08096	3.3
111.11754	4.6
113.09631	2.6
119.07801	4.1
119.08582	46.7
119.75832	2.3
121.10131	28.0
123.11702	17.2
125.09639	2.9
131.08536	2.3
133.10130	31.8
135.11688	13.2
137.05862	2.2
137.09589	4.0
139.11098	2.7
142.13687	2.2
147.11687	59.1
149.13226	6.9
151.11198	5.0
151.14832	2.5
159.38373	2.1
160.12381	2.4
161.13249	28.4
163.14833	39.1
165.12740	5.0
171.11641	2.8
175.14844	10.1
177.16411	6.0
178.07751	7.0
179.08548	6.5
191.08521	11.8
192.09311	4.3
193.10072	7.7
203.17960	100.0
204.18306	3.4
205.10187	2.6
206.10921	32.8
207.11467	3.0
221.09770	3.7
221.13297	46.6
221.15358	5.3
221.19003	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05502	18.1
56.96554	2.4
57.03411	7.0
57.07066	7.0
67.05505	25.8
69.07066	19.5
70.93584	7.6
71.04996	4.1
71.08620	2.4
73.06538	3.6
73.10594	2.2
75.65670	2.7
79.05490	16.4
81.07051	74.9
83.08615	17.2
85.06540	5.5
89.83997	2.5
91.05453	14.5
93.06457	3.6
93.07038	43.0
95.08603	87.8
97.06522	28.1
97.10149	10.1
98.97546	2.5
99.08098	2.6
102.10995	3.3
105.07020	49.5
107.08591	61.7
109.06522	6.3
109.10144	59.4
111.08068	9.0
119.08575	48.5
121.10132	29.4
123.08071	7.7
123.11698	28.8
125.09615	7.9
131.08571	5.2
133.10117	31.0
135.08035	3.2
135.11667	16.7
137.13245	6.7
147.11685	61.9
149.13232	20.3
151.11171	13.0
161.13275	26.1
163.14813	28.0
165.12762	4.2
175.14842	15.3
177.16383	5.9
203.17953	99.7
204.18393	2.8
221.19002	100.0
222.19240	3.3
236.96852	2.3
243.26926	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	3.8
55.05508	14.7
57.07067	3.6
58.74984	1.7
65.05042	2.0
67.05499	33.5
69.07057	21.9
71.04957	4.2
71.05297	3.0
73.20637	1.6
79.05486	25.7
81.07049	100.0
81.78664	1.6
83.08607	8.3
85.06529	3.0
90.78804	1.7
91.05472	22.1
93.07038	44.2
95.04982	4.2
95.08601	87.6
97.06523	9.7
97.10165	5.5
105.07024	58.3
107.08586	72.8
109.06503	3.7
109.10146	45.4
111.08075	13.0
111.11726	2.8
119.08572	46.3
121.10130	37.2
123.11692	19.6
125.09640	7.9
131.08594	3.9
133.10112	24.2
135.11681	15.9
137.09612	2.3
137.13330	2.9
145.10132	2.9
147.08162	2.0
147.11679	51.8
149.13254	16.1
151.11188	4.0
159.11647	2.3
161.13245	26.5
163.14818	58.4
165.12759	5.5
175.14830	9.8
177.16385	2.4
203.17950	79.9
221.15508	3.9
221.18980	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.99921	1.6
55.05517	14.1
57.07074	9.7
58.32174	1.7
59.05005	3.3
60.00880	2.1
60.26200	1.8
61.17810	1.7
67.05171	2.4
67.05501	26.7
69.07067	23.0
69.69488	11.1
71.04978	3.1
79.05479	15.4
81.07057	64.3
83.04962	4.1
83.08627	10.7
85.06547	7.2
91.05474	14.5
93.07050	29.8
93.67604	1.9
95.04961	2.7
95.08607	65.8
97.06539	5.8
97.10171	5.2
105.06314	2.9
105.07027	55.0
107.08592	56.5
109.06506	4.9
109.10156	60.8
111.08105	16.1
111.11682	3.2
113.09653	2.6
117.07052	2.5
119.08582	53.9
121.10146	30.5
123.08059	5.3
123.11716	29.4
125.09621	5.5
131.08591	1.9
133.10117	37.4
135.11697	15.2
137.09631	7.7
137.13232	6.8
139.11192	3.1
145.10071	3.0
147.11688	58.1
149.13246	14.4
151.11172	9.4
161.13252	33.8
163.14819	24.4
165.09088	2.0
165.12794	11.6
166.34421	2.0
175.14853	14.8
177.16389	4.3
191.08601	5.4
192.09235	2.2
193.10115	4.2
203.17950	92.6
204.18298	2.2
206.10858	15.4
206.16104	2.2
221.11543	2.1
221.13385	22.0
221.15411	6.7
221.19011	100.0
222.19341	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91059	0.1
55.01901	0.2
55.05536	0.2
67.05530	0.4
69.07093	0.2
71.09556	0.1
71.09892	0.2
79.05520	0.4
81.07083	0.5
91.05461	1.1
93.07082	0.5
95.04993	0.2
95.08614	0.7
103.05457	0.3
105.07016	1.0
107.04944	0.2
107.08576	0.6
109.06527	0.3
109.10174	0.5
111.08073	0.2
115.05441	1.2
116.06237	0.6
117.07015	4.6
118.06587	0.2
118.07392	0.1
119.04954	0.4
119.06841	0.2
119.08575	0.8
121.06517	0.5
121.10178	0.4
123.08070	0.2
123.11711	0.2
128.06209	1.2
128.06985	0.1
129.07016	0.4
131.04959	0.1
131.08583	0.2
132.05748	0.2
133.06506	0.8
133.08444	0.2
133.10136	0.4
134.07274	1.1
135.08038	0.7
135.11684	0.2
137.05957	0.2
143.05017	0.1
143.08549	1.1
144.05710	0.8
145.06511	0.9
145.10147	0.1
147.04422	0.3
147.08043	0.3
147.09967	0.1
147.11699	0.4
149.09625	0.2
152.06163	0.1
157.10028	0.2
159.08029	0.2
160.05226	0.3
160.08826	0.1
161.05968	0.7
161.13286	0.2
162.06757	5.2
163.07344	0.1
163.09502	0.2
165.07063	0.2
170.07297	0.1
171.08064	0.7
175.07547	2.8
175.14799	0.2
176.14442	0.2
177.09097	100.0
177.14442	1.3
178.07771	3.6
178.09427	1.9
188.08272	0.2
189.06985	0.3
190.07745	0.4
191.12563	0.2
193.08580	0.1
203.10648	0.8
203.14323	0.2
206.07239	1.3
207.34412	0.1
221.05959	0.2
221.09668	5.7
221.11682	0.6
221.15541	0.3
221.17250	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	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
55.01863	2.4
55.05506	14.4
57.03424	2.3
57.07070	3.8
59.04972	2.2
61.02922	4.6
67.05504	18.1
69.03421	5.6
69.07064	13.0
71.04989	2.2
71.34552	1.6
71.64482	2.0
71.64857	1.7
79.05487	16.6
81.03396	2.7
81.07053	58.2
83.04980	11.1
83.08603	5.5
85.06509	2.6
87.04457	6.8
91.05470	33.0
93.07037	36.4
95.04953	10.7
95.08044	3.0
95.08603	39.1
97.06514	6.3
101.06007	5.6
103.05433	3.2
105.07027	100.0
107.04957	5.5
107.08593	41.7
107.81479	1.6
109.06499	7.6
109.10149	14.0
111.04424	4.0
111.08065	5.9
113.06021	1.9
115.05466	8.7
115.70117	1.5
117.07013	21.3
119.04939	2.1
119.08576	76.9
121.06504	5.1
121.10141	17.4
123.08056	5.7
123.11702	6.1
128.06203	15.2
129.07002	36.4
131.04877	2.6
131.07683	1.8
131.08556	26.9
132.05724	4.1
133.06482	10.5
133.10120	54.0
135.08061	10.9
135.11694	15.1
137.05978	4.7
137.09659	2.7
141.06989	5.4
142.07780	13.8
143.08569	33.9
144.09332	4.9
145.06491	4.8
145.10120	29.5
146.07259	6.9
146.10495	1.7
147.04416	2.5
147.08064	10.2
147.09035	1.8
147.11682	51.9
148.11993	1.8
149.09601	1.7
149.13242	2.3
151.07576	2.5
153.09172	2.0
155.08563	4.9
156.09331	7.1
157.06505	11.8
157.10129	43.2
158.10419	1.6
159.08040	4.9
159.11684	35.2
160.05249	2.1
160.08618	2.4
161.05914	3.7
161.09656	25.7
161.13255	54.1
162.06766	2.2
162.13567	2.4
163.11214	4.4
163.14870	8.1
165.07004	2.4
165.09073	4.7
170.10921	9.6
171.07968	2.6
173.13223	10.6
174.06686	3.2
175.07559	32.9
175.11159	12.9
175.14795	26.9
175.55496	1.5
177.12778	2.7
177.16405	2.0
178.07693	3.3
179.10635	2.0
185.13266	54.6
188.08215	2.0
189.05434	2.2
189.09175	21.2
191.14366	2.1
193.10172	1.8
193.12202	3.0
203.06802	2.8
203.10733	12.6
203.14334	35.1
203.17879	9.2
206.16203	3.7
221.04332	3.2
221.07788	9.2
221.09718	5.4
221.11740	18.0
221.15356	64.8
221.18939	12.7
229.95714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03888	0.6
55.01815	0.8
55.05438	1.9
55.05700	0.6
56.96503	0.6
57.07004	1.9
57.07254	0.5
60.50222	0.5
66.57450	0.4
67.05434	3.6
67.44531	0.5
69.03348	1.8
69.07026	1.1
70.06521	3.7
71.04932	0.6
71.26500	0.8
71.26817	0.7
74.88022	0.4
79.05428	1.9
81.07058	6.1
82.02871	1.7
83.04914	1.7
83.08553	2.0
84.04432	0.6
85.02823	0.6
91.05413	3.8
93.07050	3.0
94.06566	3.6
95.04905	1.9
95.08616	4.4
97.02835	1.4
97.06473	0.8
98.06036	0.5
99.55998	0.5
103.05453	1.1
105.07021	5.4
107.04907	0.9
107.08575	4.2
109.06464	2.2
109.10157	3.8
111.04398	0.8
111.08067	4.3
115.05401	2.0
116.07050	1.2
116.98576	0.7
117.06991	0.8
119.04946	0.8
119.08594	4.6
119.09351	0.9
120.08038	1.1
121.06538	4.1
121.10114	1.9
123.04414	1.0
123.07988	0.7
123.11659	1.1
125.02396	0.6
127.67782	0.5
129.06967	1.4
130.06528	52.4
131.04907	1.3
131.06845	1.3
132.04449	38.9
133.06451	1.3
133.10135	3.5
134.06013	3.1
135.08014	2.3
135.11670	0.9
137.05923	2.2
137.09575	1.8
137.13220	0.9
145.10156	0.8
146.06006	0.8
147.04378	1.7
147.06326	1.5
147.08020	1.4
147.09151	1.0
147.11662	2.4
148.07590	3.2
151.07558	0.8
151.11119	1.1
153.09138	1.3
157.07622	22.1
157.10092	0.8
158.06010	77.8
159.06429	1.5
160.07550	1.9
161.05946	3.6
161.09636	1.6
161.13274	1.8
162.05507	7.7
163.07497	0.6
163.11142	0.7
163.14737	0.5
164.08212	0.5
165.05470	0.8
165.09122	1.3
175.08679	100.0
175.11189	3.3
175.14674	2.5
176.07069	2.3
176.09038	1.8
179.06996	0.6
179.10678	0.7
186.05470	4.2
193.05016	0.7
193.06831	0.6
193.15881	2.8
203.03508	0.7
203.07071	1.6
203.10670	1.4
203.14349	1.5
203.17995	1.6
204.06537	13.4
204.08440	0.8
205.14915	1.3
206.16238	3.5
221.04532	2.4
221.09315	21.1
221.11772	2.3
221.15323	3.9
221.18436	1.6
222.07640	3.2
222.09563	0.8
239.09569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.00890	0.4
55.05509	0.7
56.96558	2.9
57.03435	0.4
57.07048	0.4
57.74591	0.3
60.11560	0.4
61.02932	0.5
67.05512	0.6
68.86461	0.3
69.03411	0.7
69.07047	0.5
69.14597	0.4
70.06589	0.5
70.44086	1.2
71.04997	0.5
73.02902	0.6
74.02431	0.9
77.03925	0.5
81.03432	0.5
81.07041	0.8
82.02952	1.9
82.03352	0.4
85.02907	1.0
88.77349	0.4
91.05457	0.4
94.06571	4.5
95.04958	0.4
95.08560	0.4
97.02879	0.8
98.97575	2.5
103.05512	0.5
104.04996	0.7
105.07016	0.5
107.08603	0.4
110.97569	0.6
111.08115	0.5
113.84602	0.3
115.05459	0.8
116.98611	1.2
117.02126	0.3
119.08507	0.5
120.08086	1.0
121.06519	0.5
128.02330	0.5
130.06525	65.6
131.06873	1.3
132.04453	39.5
133.04832	0.5
134.99614	0.6
137.05983	1.6
140.04929	0.5
147.04424	0.9
147.09180	0.8
148.07617	4.0
148.08740	0.6
150.28340	0.4
155.04626	1.6
155.54733	0.5
156.06818	0.7
157.07617	32.5
158.06010	74.7
159.06342	1.1
161.01262	0.4
164.05193	1.5
175.08672	100.0
176.07199	1.9
176.08995	2.1
177.00768	0.8
185.07135	0.7
186.05521	2.9
203.08160	14.1
204.06546	4.0
205.41621	0.4
217.00104	0.5
221.09225	18.8
221.15282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
69.07024	0.2
73.38287	0.2
75.54524	0.2
79.05456	0.2
79.50761	0.2
81.07049	0.3
82.07340	0.2
90.13347	0.2
91.05489	0.2
93.06996	0.2
95.08615	0.3
98.20733	0.5
105.07010	0.4
106.06609	0.2
106.07373	0.3
117.07011	0.2
118.06533	11.0
119.07338	0.2
119.08572	0.2
120.08111	0.2
120.08891	0.2
121.10134	0.3
132.08072	2.9
132.08981	0.4
133.08865	1.4
133.10077	0.3
134.09605	0.6
134.10518	0.3
144.08040	0.4
145.10033	0.3
146.09590	2.4
146.10536	0.3
147.10469	0.3
151.10002	0.2
160.11218	0.7
162.09128	6.8
162.13573	0.4
176.10770	4.2
176.14336	28.4
177.09160	0.5
177.11464	1.7
177.14702	0.5
178.12088	0.2
184.44363	0.2
190.12238	3.0
190.70624	0.2
191.13025	0.3
192.08810	0.3
202.15738	0.9
204.14594	0.2
205.15819	0.7
218.10867	0.2
220.16948	100.0
221.17238	2.2
226.00980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01867	1.9
55.05503	2.2
56.01417	0.8
56.05046	0.7
57.07069	9.1
59.04994	5.1
61.02935	0.8
67.05502	7.4
69.03416	1.6
69.07063	5.7
70.02955	6.6
70.06593	1.4
70.07400	0.5
70.43068	1.5
70.43462	1.8
72.04515	15.3
72.08151	2.2
73.02905	3.0
74.06077	0.9
75.04456	0.7
79.05489	1.4
81.07051	2.7
81.30399	0.7
83.04985	1.7
83.06087	0.7
84.04489	1.9
85.06543	13.1
86.06071	2.1
86.09696	2.0
87.04462	3.5
87.08087	1.2
90.05551	100.0
91.05458	1.3
92.05798	0.6
93.07023	1.3
95.04964	7.2
96.04482	0.8
96.08127	2.5
98.02409	13.4
98.06037	3.3
98.20821	1.0
99.04448	0.7
100.03963	2.2
103.07577	8.1
103.51247	0.6
104.04266	0.7
105.07008	2.5
106.07317	1.3
107.04883	0.7
107.08597	1.1
109.10184	0.8
111.05659	0.7
111.08069	0.8
111.52351	0.7
112.07603	0.8
113.06021	3.5
113.72266	0.7
116.03457	15.4
119.04956	0.7
119.08584	1.3
120.08896	1.6
121.10175	0.9
122.10426	1.1
122.18437	0.6
124.07591	18.4
125.02398	0.8
131.04887	0.9
131.07001	1.4
131.08577	1.1
132.08879	1.1
133.10147	1.3
134.10484	1.0
135.04459	1.0
136.06177	1.9
137.05954	1.3
140.10698	3.1
142.08627	7.6
145.10091	1.9
146.05930	0.9
147.07988	0.9
148.11934	0.9
156.10236	1.1
158.11758	13.2
160.03174	0.8
160.09656	2.5
161.08212	0.7
162.13643	0.9
166.08662	2.0
174.05392	1.6
174.11224	2.5
174.13600	0.9
175.07469	0.9
177.12737	2.2
178.04994	0.9
184.09679	20.9
189.12566	0.7
192.02887	3.9
192.06676	0.9
202.10745	25.4
202.14394	1.1
203.07068	1.2
204.14644	5.7
205.15863	15.6
220.02408	2.1
220.05833	1.5
220.09859	2.2
220.11786	28.0
220.13467	1.1
220.17798	21.2
221.04366	0.7
221.12163	0.9
221.15378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01857	2.0
55.05488	3.1
56.05825	1.3
56.96545	1.7
57.07072	10.4
58.77190	1.0
59.04986	5.8
61.97701	1.0
65.03917	1.2
66.84370	1.0
67.05507	7.5
68.05013	1.3
69.03425	1.9
69.07059	7.0
69.80272	7.1
70.02946	7.8
70.06561	1.9
72.04512	14.0
72.08118	1.8
73.02908	4.9
74.02416	2.0
74.06068	0.9
79.05463	2.9
81.03427	1.2
81.07027	2.5
82.31548	1.0
83.04957	3.2
84.04489	5.2
85.02824	1.1
85.06546	9.5
86.09686	2.8
87.04434	1.5
87.08109	1.8
90.05548	100.0
91.05458	3.4
92.05804	1.1
93.07021	2.2
94.06560	1.7
95.04963	7.1
95.06065	1.5
95.08588	1.7
96.08096	2.3
96.08933	1.1
97.02863	2.1
98.02410	13.5
98.06040	2.2
98.97534	1.5
100.03958	2.8
103.07582	9.4
105.07011	2.8
106.07346	2.2
107.08545	1.1
108.08920	1.6
108.48096	0.9
109.02865	1.7
109.06487	1.8
111.04415	1.2
111.08131	1.6
113.05975	3.4
114.81850	1.0
116.03448	17.4
119.08578	2.9
120.08887	3.0
121.06509	2.2
121.10170	2.5
122.10452	2.1
124.07589	18.5
125.02361	1.1
129.07014	1.3
130.06512	10.3
131.04936	1.5
131.07011	1.5
131.08543	1.8
132.04436	7.2
134.10413	2.5
135.07977	1.2
136.06128	2.3
137.05968	2.1
140.10658	1.5
142.08635	9.1
145.10072	3.3
146.05989	18.4
146.07060	1.4
146.10437	2.3
147.04408	1.2
147.06335	1.4
148.11998	1.4
149.05977	1.3
150.05444	3.1
156.10185	1.5
157.07596	3.4
158.05994	12.2
158.11739	4.4
160.03192	1.8
160.09677	2.5
160.11975	1.4
161.05894	2.2
161.13124	1.0
162.05350	1.2
163.03896	1.7
166.08582	2.2
174.05495	2.2
174.07642	1.2
174.11224	1.6
174.13554	1.8
175.07324	1.6
175.08644	15.3
176.07039	1.5
177.12738	2.5
178.04974	3.4
181.04909	1.8
184.09677	21.5
192.02922	2.2
192.06471	4.8
202.10742	30.4
202.12621	1.4
203.14336	1.1
204.06607	1.6
204.14674	12.4
205.15868	29.8
220.06015	5.5
220.09743	4.6
220.11813	31.6
220.13881	1.8
220.17773	41.8
221.09291	2.2
221.15242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01857	3.5
55.05517	10.3
56.05034	2.6
56.96567	44.6
57.03426	7.9
57.07080	10.2
59.04990	4.0
60.04523	14.3
60.95850	3.0
61.02907	5.8
61.04869	2.4
61.78876	1.9
65.03931	7.6
67.05487	6.9
69.03434	16.0
69.07057	4.7
70.06575	6.7
71.04983	7.3
71.63850	3.5
72.04494	6.9
72.08134	6.2
73.02906	9.5
73.06540	7.9
74.06074	3.3
79.05472	5.3
81.03400	8.5
81.07046	6.2
82.07346	2.5
83.04973	2.4
84.04495	8.8
84.08169	2.1
84.96014	6.5
85.02908	19.5
85.06562	12.8
86.06050	4.1
86.09699	4.4
87.04446	9.0
87.10005	3.9
88.03946	2.6
90.05558	31.9
91.05478	33.5
92.05798	3.8
93.07027	3.7
94.07365	2.4
95.04933	5.7
97.02885	21.4
97.96792	3.1
98.02400	3.6
98.06084	11.9
98.97585	59.3
99.04438	2.7
99.97876	2.3
103.05479	2.4
105.07029	5.8
106.07304	2.9
107.04913	2.7
107.08560	2.2
109.02876	7.0
110.01358	2.3
110.97543	4.9
111.04444	4.9
112.99169	3.9
113.06016	2.5
113.56350	2.6
116.03474	4.3
116.98624	52.4
117.07020	2.1
117.98947	3.8
118.06555	4.2
118.07339	3.2
119.01885	3.0
119.04950	24.7
119.08591	5.4
120.02017	2.9
120.05300	2.2
120.08887	5.3
121.06454	3.7
121.10099	3.3
122.03635	2.6
122.10507	3.9
124.07558	6.2
125.02402	2.3
125.03579	2.8
127.03929	5.3
128.02327	2.0
128.98582	7.3
129.10258	2.8
130.06490	5.2
131.00160	7.9
131.08536	4.3
132.04449	23.2
132.08952	2.9
132.10190	2.8
133.03246	3.2
133.10117	2.0
134.10458	5.5
134.99661	34.4
135.03099	2.6
135.04297	2.2
136.06224	4.2
136.11946	2.6
137.02248	2.3
137.05981	37.6
138.06354	3.0
140.00208	3.5
140.10680	6.0
142.08580	4.1
143.00092	3.8
145.01741	2.4
145.04973	2.9
145.10089	8.1
146.06017	33.2
146.10426	3.3
146.99635	9.6
147.03238	5.4
147.04407	50.4
147.55977	2.6
148.04794	4.8
148.07425	2.7
149.01205	8.1
151.07515	2.9
153.00694	3.7
155.04677	20.0
158.01184	2.2
158.05991	5.3
158.11783	26.4
158.99696	16.6
160.12009	2.9
161.01207	6.2
161.05876	2.4
162.03123	3.0
162.13550	4.1
163.02725	3.5
163.03931	2.8
164.05214	11.8
164.06992	4.0
165.04370	3.1
167.07077	3.8
170.50983	2.3
170.99651	3.2
174.05516	56.6
174.13448	6.9
175.02768	2.9
175.08667	6.6
175.55966	2.8
177.00742	32.9
177.12747	7.8
179.07077	10.7
184.09689	7.6
184.12099	2.0
189.00668	4.8
189.04146	2.3
191.03824	2.2
192.06535	8.7
193.03773	2.6
195.01724	4.4
197.01189	2.5
200.02341	2.9
202.05002	6.4
202.10846	9.9
202.14522	2.6
204.14651	26.7
205.15880	66.4
208.04909	7.7
215.02284	3.1
217.05455	11.8
217.55647	3.6
219.01726	3.7
220.05913	20.2
220.09715	12.7
220.12013	11.8
220.17801	100.0
235.02785	4.4
235.04910	6.9
237.02798	6.6
238.03389	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.77940	0.6
53.03940	1.1
55.01864	0.9
55.05506	6.2
55.18628	0.8
57.03424	1.6
57.07049	2.0
59.04998	1.6
59.71255	0.6
65.03931	0.7
67.05503	7.2
67.95803	0.7
69.07067	24.7
71.04982	2.9
71.53645	1.0
71.53992	1.0
79.05489	4.0
81.07054	11.5
83.04979	2.0
83.08633	3.5
85.06554	2.3
91.05486	7.6
93.07043	15.3
95.04991	3.2
95.08604	21.9
97.06509	2.7
97.10170	1.8
103.05442	0.8
105.07027	19.3
105.44870	0.6
107.04963	0.9
107.08591	20.7
109.06522	3.9
109.10155	20.3
109.10917	1.0
111.08049	2.6
113.09616	0.7
116.06252	0.7
117.07034	4.4
119.08580	20.7
121.06474	2.4
121.07289	0.8
121.10139	18.8
121.69404	0.6
123.08034	3.3
123.11687	5.9
125.09627	2.1
129.07010	1.8
130.07774	1.3
131.08543	9.0
133.10123	11.0
135.08080	3.9
135.11688	12.4
136.08836	0.7
137.09601	10.1
137.13235	1.3
143.08566	1.3
144.09390	0.9
145.09041	1.2
145.10129	19.9
147.11681	6.3
149.09627	8.2
149.13242	5.0
150.10330	0.9
151.11165	2.3
157.10144	1.0
159.08054	1.0
159.11690	12.5
161.13260	11.8
163.11174	14.1
163.14827	1.6
168.09421	0.7
171.11862	0.7
173.09558	0.9
173.13264	7.1
175.14812	6.9
176.11865	0.8
177.12758	2.3
177.16382	1.6
189.09160	0.8
189.12752	1.2
191.17947	8.6
201.12708	1.6
201.16394	17.9
203.14261	4.5
205.15706	0.8
219.13885	2.9
219.17435	100.0
220.17770	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03934	2.5
55.01856	1.5
55.05511	8.8
57.07069	2.5
59.35766	1.1
65.03920	2.8
67.05499	16.2
69.03407	3.4
69.07063	14.1
70.85540	3.0
70.85880	1.7
71.04964	2.1
79.05067	2.0
79.05488	23.8
81.07053	78.1
83.04971	10.9
83.08635	6.2
91.05473	15.8
93.07041	32.3
95.04958	13.9
95.08604	23.6
97.06530	7.2
97.10179	1.9
98.20650	1.2
103.05439	1.5
105.07027	44.0
107.08588	26.5
109.06517	15.9
109.10154	16.3
111.08106	6.7
113.34586	1.2
115.05412	1.5
117.07008	12.8
119.08578	30.9
121.06508	2.9
121.09315	2.3
121.10137	31.1
123.08060	6.5
123.11721	8.0
125.09602	2.3
129.07013	4.3
130.07787	4.9
130.91214	1.1
131.08559	23.1
133.10132	15.6
135.08023	8.1
135.11681	8.0
137.09590	4.4
143.08542	3.6
144.09328	3.7
145.10118	39.8
147.11696	9.6
149.09619	15.0
149.13258	3.7
150.10310	1.4
151.11185	17.6
157.10222	1.2
158.10873	1.8
159.08113	1.8
159.11685	32.3
160.12054	1.3
161.09636	1.5
161.13257	27.0
162.10368	1.4
163.11183	22.9
163.14792	2.6
168.09242	1.8
173.13242	15.2
175.14815	3.7
176.54886	1.4
177.12706	4.8
177.31989	1.5
183.11708	3.9
191.17926	4.3
201.12669	6.5
201.16373	17.9
203.14268	3.8
208.21054	1.2
219.10239	1.7
219.13832	6.1
219.17433	100.0
220.17757	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.32755	1.0
53.03941	2.4
55.05507	5.3
57.07051	1.4
59.36826	0.9
67.05499	12.9
69.03414	2.1
69.07059	8.9
70.18792	2.0
70.19172	4.5
71.04976	2.0
77.01078	1.1
77.58608	1.0
79.05483	11.8
81.07053	34.3
83.04990	2.1
83.08604	3.8
85.06536	2.5
91.05479	16.2
93.07038	24.8
95.04949	5.1
95.08595	24.3
97.06519	5.3
98.21519	1.0
99.08061	1.3
102.75232	1.2
105.07023	38.2
107.05004	1.3
107.08584	26.3
109.06520	6.2
109.10143	11.0
111.08067	6.9
117.07005	9.1
119.08574	30.5
121.06489	4.0
121.10139	15.0
123.08064	5.0
123.11721	6.8
125.09623	1.7
129.07063	2.3
130.07762	2.3
131.04831	1.2
131.08560	23.0
133.09219	1.8
133.10129	21.9
135.08043	6.8
135.11700	7.5
137.09622	4.5
141.03275	1.0
141.06941	1.8
142.07852	1.1
143.08582	2.5
144.09334	2.2
145.09029	2.0
145.10120	32.7
146.10892	1.7
147.11684	6.6
149.09616	6.3
149.13255	4.2
151.11148	1.0
157.10123	2.2
159.08035	4.3
159.11685	24.1
161.13248	41.3
163.07652	1.3
163.11191	15.5
168.09483	1.5
171.11592	1.5
173.13252	14.5
174.06599	1.3
175.14813	4.1
177.12717	3.3
177.16373	1.7
183.11739	1.7
191.18074	1.3
201.12729	4.3
201.16371	41.5
203.14333	9.1
219.06500	1.4
219.10156	3.4
219.13857	4.5
219.17426	100.0
220.17828	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
53.03944	2.0
55.05512	7.3
57.03427	3.8
57.07052	1.6
60.82940	1.5
67.05505	8.9
69.03432	1.5
69.07064	9.9
70.26464	5.8
70.35326	1.4
71.04971	4.4
79.05495	12.6
81.06591	1.6
81.07056	28.0
83.04980	3.4
83.08627	2.6
85.06533	3.5
91.05487	15.1
93.07040	26.5
95.04964	6.0
95.08606	32.1
97.06519	4.4
97.10133	1.6
105.07035	40.1
107.08589	33.4
109.06532	8.2
109.10155	16.7
111.08095	7.0
117.07030	10.2
119.07782	2.6
119.08578	28.5
119.09355	1.0
121.06499	3.1
121.10138	18.8
123.08076	8.1
123.11701	5.4
125.09626	3.6
129.07045	3.0
130.07788	1.9
131.08565	22.7
133.10126	20.0
135.08072	11.9
135.11676	25.9
135.97765	1.4
137.09657	2.0
142.07834	1.6
143.08546	1.7
144.09322	2.1
144.74918	1.9
145.10123	38.3
147.11687	16.6
149.09595	6.4
149.13232	5.8
151.11180	2.7
157.10176	2.5
159.11681	26.6
161.13251	32.1
163.07613	1.4
163.11208	10.8
163.14882	2.0
173.13277	13.1
175.14786	7.6
177.12761	5.7
183.11690	3.4
191.14151	1.7
191.17952	6.9
201.12698	5.3
201.16359	35.5
202.16615	1.7
203.14297	4.2
219.13843	6.5
219.17441	100.0
220.17805	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.08075	0.9
52.39562	1.0
53.03941	1.1
55.05507	6.5
56.99775	1.0
57.07064	1.7
65.03924	1.4
67.05504	11.1
69.03411	1.8
69.07061	8.1
69.90420	2.0
69.90824	3.4
71.04970	1.3
79.05488	12.2
81.06583	2.0
81.07055	34.3
82.07358	1.0
83.04955	1.8
83.08601	1.9
85.06521	1.6
90.89412	0.9
91.05481	14.8
93.07039	22.3
94.51128	1.0
95.04970	5.7
95.08607	24.3
96.83913	0.9
97.06501	5.2
97.10146	1.1
101.01041	0.8
103.05497	1.5
103.89626	0.8
105.07030	37.9
107.08601	21.1
109.06496	4.0
109.10155	13.3
111.08086	5.2
115.05475	1.5
116.06241	1.9
117.07028	7.2
119.08583	26.3
121.06480	2.5
121.10138	18.2
123.08043	4.1
123.11698	3.2
125.05959	1.1
125.09624	1.5
129.06975	7.3
130.07767	2.8
130.22900	1.0
131.08577	24.4
133.10132	15.4
135.08072	2.8
135.11690	9.7
137.05963	1.5
137.09592	1.3
141.06931	2.7
143.08598	2.2
144.05708	3.2
144.09300	2.2
145.06503	2.0
145.10127	34.5
146.10858	1.0
147.11694	11.4
149.09586	2.7
149.13263	3.8
157.10136	2.3
158.07263	1.3
158.10881	1.7
159.08066	13.2
159.10463	1.7
159.11697	28.2
161.13258	40.6
163.11124	6.2
163.14801	7.4
169.07568	1.6
172.05125	1.0
173.09618	1.5
173.13264	16.7
175.07471	1.1
175.14813	3.6
176.11926	1.1
177.12706	3.9
177.16364	1.1
183.11659	2.5
187.07571	7.9
189.09048	1.5
191.18016	6.0
201.12747	5.7
201.16382	42.8
201.18266	2.4
203.14290	6.9
219.10121	4.9
219.13814	7.1
219.17427	100.0
220.17706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
51.27032	0.9
53.03928	2.3
55.01849	1.9
55.05504	11.2
57.03415	1.7
57.07059	1.2
65.03928	2.5
67.05498	20.0
69.03416	3.1
69.07064	18.7
69.45116	4.5
69.45547	5.8
71.04967	4.1
74.82004	1.0
75.52709	1.1
79.05051	1.6
79.05489	26.0
79.47670	1.3
81.07050	68.5
83.04987	1.9
83.08603	3.6
85.06511	5.0
85.07000	1.0
91.05471	40.8
93.06464	2.4
93.07037	42.4
95.04963	9.6
95.08600	41.5
97.06503	4.0
98.21493	2.1
99.08044	2.0
103.05418	2.5
104.87820	1.1
105.07023	94.4
106.07317	1.3
107.04961	1.3
107.08588	42.4
109.06515	7.6
109.09445	2.1
109.10148	24.6
111.04387	1.8
111.08047	3.8
115.05439	4.7
115.88181	1.0
116.06224	5.5
117.07016	24.9
119.08576	65.9
121.06470	5.7
121.10140	24.4
123.08072	5.6
123.11718	5.2
125.05953	1.7
125.09599	3.0
128.06184	2.5
129.06998	15.0
130.07779	5.1
131.08560	71.4
132.08923	1.5
133.10121	38.0
134.10867	2.7
135.04373	1.5
135.08031	3.7
135.11713	8.2
137.05916	1.2
137.09610	3.4
139.07593	1.5
141.06950	4.5
142.07761	2.1
143.08568	8.0
144.05714	5.9
144.09343	6.3
145.06436	3.9
145.10115	79.7
146.10574	2.6
147.08040	1.1
147.11678	44.2
149.05946	5.0
149.09587	5.4
149.13306	5.6
151.07620	1.8
151.11250	1.3
153.07051	2.0
155.08536	8.3
157.10098	6.3
158.07245	3.1
158.10847	4.3
159.08051	35.3
159.11679	53.2
160.08324	1.9
160.12097	1.2
161.09573	3.3
161.13246	64.0
162.13472	1.2
163.07529	10.0
163.11165	8.2
163.14760	1.4
168.09309	11.5
169.07660	2.2
171.11598	2.5
172.05063	1.1
173.09627	4.5
173.13255	68.1
174.06737	1.4
174.13652	2.2
175.14841	9.6
177.09122	5.7
177.12662	2.2
177.16232	1.3
183.11679	19.2
187.07524	11.1
191.14293	1.9
191.17932	3.2
201.09390	1.2
201.12733	35.3
201.16365	62.9
202.13126	1.3
202.16780	1.3
203.14314	9.6
219.10318	10.7
219.13911	38.2
219.17409	100.0
220.14104	1.1
220.17757	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	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.50465	0.8
51.02350	0.8
53.12524	0.9
55.01842	1.0
55.05510	7.1
57.03419	3.6
57.07074	1.4
61.55232	0.7
61.99340	0.7
67.05174	1.2
67.05505	13.0
69.03415	1.6
69.07070	8.4
69.45667	6.1
69.46072	1.9
71.04977	1.8
71.81657	0.9
79.05488	9.9
79.97640	0.8
81.07059	26.5
82.07410	1.3
83.04990	2.0
83.08609	2.5
85.06538	1.3
91.05480	15.0
92.05838	1.0
93.06481	1.3
93.07043	20.2
95.04967	12.6
95.08604	28.3
97.06528	3.4
97.10147	0.9
98.21479	1.7
103.05440	1.2
105.07030	43.7
107.04910	0.9
107.08590	22.6
109.06512	9.1
109.10151	15.9
111.08109	4.3
111.11708	1.2
115.05473	2.8
116.06201	1.1
117.07016	5.8
119.08588	29.4
120.59688	0.8
121.06483	2.4
121.10144	15.6
123.08073	5.1
123.11681	3.8
125.09586	1.2
128.06197	1.4
129.07033	4.1
130.07809	2.2
131.04973	0.9
131.08568	17.2
133.06482	1.0
133.10126	14.9
135.08061	5.1
135.11700	8.5
136.13689	0.8
137.09618	6.6
141.06998	2.7
144.05690	2.6
145.06456	1.6
145.10126	33.4
146.10860	1.0
147.11685	24.0
149.09610	6.5
149.13268	4.6
157.06503	1.0
157.10121	1.1
158.07321	1.2
159.08073	5.7
159.11696	25.4
161.09618	2.0
161.13255	39.7
163.11205	5.3
163.14769	4.8
173.13283	9.5
173.49399	0.8
174.06717	2.2
175.07480	1.3
175.14841	5.8
177.12700	1.5
177.16359	1.1
186.06734	0.9
187.07541	5.0
189.05600	1.1
189.09132	3.4
190.07683	1.4
191.08519	2.5
191.10706	0.9
191.14349	1.3
191.17935	5.6
201.09088	1.3
201.12694	1.3
201.16382	40.3
203.14304	8.6
219.08025	5.0
219.10204	6.9
219.13931	2.6
219.17438	100.0
220.17825	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03931	0.8
54.56311	0.4
55.05510	6.4
57.03435	5.5
57.07064	1.8
59.04966	0.5
65.03944	1.2
67.05173	0.8
67.05505	12.9
68.08896	0.5
69.03425	1.4
69.07058	7.8
71.04989	1.6
71.08626	0.5
71.63692	0.9
77.03967	0.5
79.05486	8.1
81.07053	24.7
83.04977	1.8
83.08604	2.2
85.06530	0.7
88.07610	1.4
91.05476	12.6
93.06477	0.9
93.07046	15.7
94.98721	0.5
95.04965	14.4
95.08606	25.6
97.06525	4.8
97.10139	1.5
99.08029	0.6
103.05480	0.9
105.07027	36.6
106.07316	0.6
107.04924	0.8
107.08596	19.9
109.06516	8.2
109.10151	15.3
109.10912	0.7
111.08076	3.2
111.11698	1.7
115.05441	2.1
116.06233	1.5
117.07027	6.0
119.08578	28.1
120.08913	0.6
121.06508	1.5
121.10144	15.2
123.04418	0.5
123.08080	6.1
123.11688	4.0
125.09632	1.4
128.06224	1.3
129.07014	6.4
130.07764	1.7
131.04919	1.2
131.08568	19.3
133.10130	15.3
135.08069	4.9
135.11693	10.6
137.05951	0.7
137.09625	5.3
141.06981	3.6
143.08551	1.7
144.05722	2.9
144.09360	1.2
145.06454	1.2
145.10120	29.8
146.10735	0.5
147.11685	22.7
149.09613	5.2
149.13258	3.3
151.11166	0.8
155.08549	1.2
157.06502	1.6
157.10129	1.4
158.07268	1.3
158.10901	1.2
159.08057	10.5
159.11691	22.1
160.08438	0.6
160.12366	0.8
161.05965	0.7
161.09657	2.5
161.13255	39.7
162.13605	0.9
163.11153	3.8
163.14832	3.4
168.09317	0.6
169.06358	0.6
169.07629	1.2
171.11646	0.6
172.05208	0.7
172.12549	0.5
173.09665	0.7
173.13264	9.0
174.06786	4.9
175.07550	1.2
175.14844	5.8
177.05453	0.7
177.12708	1.7
177.16325	1.1
186.06784	1.0
187.07529	6.8
187.11124	0.6
189.09105	4.8
190.07770	1.4
191.08524	2.6
191.10429	0.6
191.14337	1.7
191.17943	5.2
201.09085	2.6
201.12724	1.9
201.16380	42.5
202.16772	1.1
203.14320	8.8
219.08032	3.8
219.10190	8.8
219.13867	3.8
219.17436	100.0
219.21198	7.7
220.09879	0.6
220.17723	2.6
232.82764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
50.69975	1.0
55.05503	6.1
57.03423	4.1
57.07064	2.5
64.19872	1.1
65.03951	1.0
67.05505	10.1
69.07073	6.6
70.06571	3.0
70.09445	2.2
70.09840	3.0
71.04979	1.6
74.38425	1.0
77.03910	1.2
79.05488	9.7
81.07052	25.5
83.08601	2.9
88.07639	7.1
89.07950	3.0
91.05469	12.4
93.06457	1.9
93.07034	18.8
95.04963	15.2
95.08604	30.3
97.06519	6.3
97.10189	1.9
98.20704	1.2
102.09155	1.5
105.07024	45.9
106.08659	2.2
107.08578	21.1
109.06526	12.1
109.10153	17.7
111.08101	2.7
111.11732	1.3
115.05389	1.2
117.07019	6.6
119.08574	29.3
121.06454	1.4
121.10141	16.0
123.08107	6.0
123.11678	4.4
128.06122	1.6
129.07004	3.1
130.07776	1.4
131.08569	16.9
133.10115	17.4
135.08069	6.2
135.11661	12.1
137.09612	6.3
138.43982	1.0
141.06938	1.4
143.08585	3.0
144.09320	1.7
145.10117	32.0
147.11684	25.2
149.05986	1.2
149.09581	6.8
149.13211	3.7
155.08534	1.8
157.10129	1.4
158.11032	1.4
159.08090	1.5
159.11690	22.3
161.09602	6.5
161.13252	45.5
163.11153	3.7
163.14803	3.7
173.13255	16.4
175.14845	4.9
177.12694	1.9
177.16315	1.5
183.11681	2.9
190.07709	2.4
191.08559	8.6
191.14322	1.4
191.17914	5.6
201.12675	5.3
201.16379	47.1
201.20425	3.2
203.14246	1.8
219.08017	9.1
219.10168	3.0
219.13838	10.9
219.17429	100.0
219.21457	47.5
219.23627	2.5
220.17905	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	219.1736
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.78152	1.0
55.05503	3.2
57.03442	1.0
65.03927	1.3
67.05494	6.5
68.05831	4.1
69.03429	1.6
69.06164	1.4
69.07047	4.0
69.17783	0.8
70.03757	1.3
70.28425	2.3
70.28823	2.1
71.04981	2.2
79.05491	6.7
80.05818	3.2
81.07047	17.1
82.07381	7.1
83.04983	0.9
83.07694	2.8
83.08601	1.2
85.06538	1.4
86.06869	1.2
91.05482	7.7
92.05801	4.8
93.06145	1.2
93.07037	13.2
94.07377	8.2
95.04962	10.7
95.07716	2.7
95.08597	10.5
96.05296	12.9
96.08928	4.4
97.05350	4.4
97.06548	2.3
97.09262	1.8
98.06821	1.0
105.07025	20.1
105.98268	0.8
106.07355	10.1
107.07691	5.4
107.08578	11.2
108.08910	5.2
109.06492	5.2
109.09302	1.8
109.10135	5.0
110.06857	6.6
110.10487	2.4
111.07118	2.0
111.08025	1.1
111.10818	1.6
115.05476	1.8
117.07024	5.0
118.07309	1.6
119.07735	1.1
119.08554	11.7
120.08913	8.1
121.06476	1.1
121.09241	5.6
121.10138	14.7
122.10480	17.0
123.08051	1.5
123.10815	9.4
123.11673	1.7
124.08407	3.5
125.08609	1.4
129.07021	2.2
131.07689	1.7
131.08582	9.2
132.08910	4.8
133.09190	3.2
133.10129	9.7
134.10440	2.2
135.08041	1.9
135.10764	3.6
135.11705	2.3
136.08379	1.7
137.08719	1.4
138.09959	0.9
142.07780	2.2
143.08539	3.0
144.09032	1.9
145.09215	2.5
145.10197	10.8
146.10408	3.2
147.10667	1.9
147.11740	5.6
148.12027	1.8
149.09605	3.3
149.12343	3.9
157.10124	4.6
158.10463	6.4
159.08051	2.4
159.10732	8.7
159.11897	13.6
160.11992	7.7
161.12234	15.6
161.13231	2.8
162.09959	3.2
162.13492	1.2
163.10146	4.7
163.13852	1.2
168.09363	1.3
173.13419	7.7
175.14937	1.8
176.11533	1.7
177.11830	3.6
183.11755	1.5
190.16811	1.7
191.07028	1.1
191.14450	1.5
191.17059	2.7
199.14793	2.6
201.12752	2.0
201.13608	1.4
201.15666	7.9
201.16325	8.9
203.14302	3.2
219.16370	100.0
220.09702	1.5
220.16624	1.1
223.77658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01857	1.2
55.05514	5.8
57.07054	1.4
65.03929	1.4
67.05232	0.9
67.05502	10.2
69.03404	1.0
69.07074	5.4
69.30325	7.4
69.30750	3.5
71.04994	1.0
79.05486	13.4
80.60405	0.9
81.07055	22.4
83.04940	2.2
83.08596	2.2
91.05482	13.5
93.06476	1.4
93.07040	21.2
95.04935	2.6
95.08611	25.1
97.06508	2.6
97.98221	0.8
98.97580	1.5
103.05436	1.9
105.07030	34.9
107.08595	25.1
109.06491	2.9
109.10147	8.1
111.08051	2.1
115.05462	2.4
116.06234	1.6
117.07034	10.7
119.08578	26.2
120.08106	0.9
121.06464	1.5
121.10143	11.4
123.08070	3.3
129.07013	5.3
130.07756	3.8
131.08574	30.9
133.10132	16.7
135.08057	2.5
135.11681	7.1
141.06960	2.3
143.08527	2.1
144.05692	2.3
144.09290	2.0
145.06497	1.7
145.10118	72.4
146.10805	3.1
147.08112	1.0
147.11710	6.5
149.09625	1.1
149.13223	2.8
157.10194	2.3
158.07260	1.2
159.08070	7.2
159.11691	41.8
161.05995	1.1
161.09590	1.6
161.13274	10.7
163.11194	7.8
169.07582	1.6
171.11687	1.3
172.12517	1.1
173.06029	2.5
173.09726	1.2
173.13258	11.0
174.06746	1.5
175.07468	2.5
175.14821	3.1
177.12730	1.3
186.14024	1.3
187.07556	4.9
189.09087	1.1
189.16354	5.1
199.14758	1.8
201.05522	2.0
201.09106	2.1
201.16382	100.0
202.16728	2.6
203.14351	10.7
219.08052	3.6
219.10173	7.9
219.13823	3.2
219.17435	89.6
220.09622	1.1
220.17708	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	219.1378
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
52.74069	1.9
53.03936	3.5
55.05504	10.2
55.62570	1.8
56.70638	1.8
57.03123	2.1
67.05498	17.8
69.07063	8.4
70.76305	6.4
70.89050	1.9
79.05488	22.7
81.06573	3.7
81.07055	74.3
83.04944	2.9
83.08620	1.9
91.05482	45.1
93.07045	35.4
95.04973	5.2
95.08609	26.5
97.06521	2.9
103.05463	2.5
105.04563	2.6
105.07029	66.7
107.08597	33.3
109.06492	3.5
109.10156	9.3
111.16014	2.0
115.05463	4.9
116.06221	4.1
117.07018	33.6
119.08570	42.0
121.06495	6.1
121.10168	12.9
123.08034	2.8
125.05996	7.6
129.07031	9.4
130.07805	3.2
131.08568	92.1
133.10132	27.4
134.10910	4.5
135.04375	2.9
135.08049	3.5
137.05939	3.1
139.07536	3.2
141.07010	4.2
142.07799	2.8
143.08530	10.0
143.30972	2.3
144.09349	6.9
145.06502	6.1
145.10115	75.5
147.08066	2.2
147.11690	66.5
149.05974	7.3
149.09596	3.2
153.07002	7.2
155.08553	12.7
157.10054	10.6
158.10919	9.3
159.08073	24.9
159.11694	26.0
161.09642	3.3
163.07555	13.7
168.09351	22.8
172.08842	2.2
173.09627	7.2
173.13261	100.0
175.14815	5.0
177.09132	10.6
180.24649	2.0
183.11702	37.8
191.10652	2.3
191.14342	6.7
201.12741	63.4
201.16403	6.1
203.14299	2.0
219.13806	60.2
219.17229	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	219.1379
Annotation	(2R)-Pterosin B
Peak:m/z	Relative Intensity
53.03930	1.3
55.01868	0.9
55.05506	4.4
57.02451	0.6
57.07050	0.5
65.03928	1.6
67.05167	0.8
67.05502	11.0
69.03416	0.7
69.06715	0.9
69.07060	9.1
70.08909	1.9
71.04945	0.6
73.02911	1.5
79.05058	1.1
79.05487	14.2
81.07055	21.7
83.04950	1.6
83.08602	1.0
91.05476	28.7
93.03458	0.6
93.07042	20.6
95.04953	3.4
95.08043	0.8
95.08609	13.3
97.06503	1.8
98.57053	0.5
103.05476	4.2
105.04488	0.6
105.07028	35.5
106.07261	0.7
107.04923	1.4
107.07866	0.7
107.08592	13.2
109.06503	2.2
109.10151	3.5
111.04467	1.2
111.08088	1.2
115.05453	3.7
116.06259	2.8
117.07013	25.4
118.07823	0.8
119.04946	0.7
119.08578	26.4
121.06501	2.2
121.10159	6.5
123.04447	1.0
123.08028	1.2
125.05967	2.4
128.06203	2.4
129.07011	9.6
130.07767	2.0
131.04948	0.9
131.08565	56.4
133.06458	1.6
133.10118	11.4
134.10912	0.6
135.04375	1.4
135.08025	1.6
135.11699	1.3
137.05974	2.1
139.07516	1.4
141.06999	4.0
142.07793	1.9
143.08525	4.5
144.05716	3.6
144.09357	2.4
145.06511	4.8
145.10121	43.3
146.10526	0.8
147.08081	0.9
147.11682	37.7
149.05997	4.6
149.09697	0.9
151.07542	2.3
153.07002	1.4
155.08548	4.6
156.09511	0.6
157.06454	0.7
157.10078	1.9
158.07207	0.8
158.10887	3.6
159.08054	17.0
159.11702	6.9
160.08778	0.6
161.09645	1.6
161.13222	2.3
163.07552	9.2
163.11226	1.1
167.08501	0.7
168.09344	4.7
169.07661	1.1
171.11717	2.0
172.05292	0.9
173.09840	3.6
173.13258	100.0
174.06767	1.9
174.13600	1.7
175.07521	0.9
175.14833	1.9
177.09126	4.1
183.11687	10.9
186.06845	0.7
187.07549	7.7
189.09109	2.2
190.07724	0.6
191.08559	1.2
191.10577	0.9
191.14301	2.7
201.09103	1.2
201.12744	29.4
201.16338	1.5
203.14334	3.6
204.07721	0.6
219.08011	3.3
219.10173	5.0
219.13811	37.9
219.17328	17.0
223.69975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.03951	0.6
55.01871	0.7
55.05511	2.0
56.96564	3.8
57.03431	0.5
57.07065	0.5
59.05002	0.6
59.06121	0.3
60.04527	100.0
60.95881	0.4
61.02927	0.9
61.04855	0.5
67.05513	2.3
69.03434	1.5
69.07061	2.7
70.02943	0.7
70.06596	0.6
71.01329	0.7
71.04980	0.6
71.09121	0.4
71.38170	1.0
72.04521	0.6
72.08158	1.1
73.02918	0.6
74.02457	0.4
75.04493	0.9
78.73504	0.4
79.05484	2.1
81.03410	0.7
81.07060	3.4
83.04976	1.3
84.04513	0.8
84.08136	0.6
85.02918	1.2
85.06546	0.8
86.06095	0.3
86.09707	75.3
87.04470	1.3
87.05589	4.2
87.10028	0.8
89.03922	0.6
89.97194	0.4
90.05550	0.7
91.05481	2.9
93.07053	3.3
95.04981	1.4
95.08618	2.1
97.02894	1.1
97.06493	0.5
98.06073	1.0
98.81448	0.4
98.97586	3.4
103.03947	0.9
103.05494	0.6
105.07028	4.2
107.04962	0.7
107.08604	2.0
109.06523	1.2
109.10146	0.8
110.97610	0.5
111.04408	0.6
116.03500	0.4
116.98627	3.1
117.07018	1.4
119.01909	0.7
119.04935	0.6
119.08582	5.2
120.08102	0.8
121.06538	1.1
121.10152	5.8
123.08070	1.1
126.09164	1.0
128.10670	2.0
128.98651	0.5
129.06995	0.9
131.04951	0.4
131.08577	3.2
132.10207	49.8
133.10144	5.3
134.99675	2.1
135.04416	1.0
135.08060	0.7
135.11682	1.4
137.05959	0.8
143.08594	1.1
144.09296	0.5
145.06516	0.9
145.10114	3.5
146.99617	0.7
147.04388	1.1
147.05733	0.5
147.08044	0.9
147.11700	1.9
149.09668	0.6
155.07130	0.5
155.08524	0.6
157.07486	0.5
158.11803	2.5
158.99695	0.6
159.02957	0.9
159.07988	0.8
159.11681	2.1
161.01131	0.4
161.09682	1.8
161.13242	3.1
163.03928	1.8
163.07497	0.5
163.11208	0.6
168.09325	0.5
170.10858	1.0
173.09697	1.0
173.12868	27.8
174.06755	0.5
174.10414	0.5
175.11183	0.6
175.14821	1.5
177.00665	1.4
183.11601	0.8
185.13278	0.7
187.11244	0.8
188.11992	0.7
190.08604	0.5
193.22232	0.4
201.12402	5.5
201.16391	1.3
203.14326	23.1
205.15887	0.6
219.06689	1.1
219.10233	1.3
219.13609	9.6
219.17441	69.6
220.09669	1.1
220.17735	0.7
233.05235	0.7
237.02863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03425	1.3
67.05495	1.9
69.72247	6.1
70.06571	1.5
70.22947	0.9
81.07026	1.8
85.15856	1.0
88.07621	2.4
91.05466	14.3
93.07040	2.1
95.04965	1.3
98.21432	1.0
102.09155	1.3
103.05457	4.3
105.07002	4.5
107.08556	1.6
115.05442	17.2
116.06249	5.0
117.06995	3.3
119.08557	2.1
128.06210	16.5
129.06996	52.5
130.07756	3.4
131.04926	9.9
131.08562	51.0
133.06451	1.8
133.10127	1.9
136.48364	1.0
137.05986	5.0
141.06978	45.9
143.04901	2.1
143.08546	3.2
144.05675	8.6
145.06488	10.2
145.10141	2.5
146.07265	6.6
147.04428	1.2
148.05159	2.6
152.29071	1.3
153.07076	1.3
155.04884	1.7
155.06030	2.2
156.05724	1.7
157.06476	22.2
158.07277	28.4
159.04425	6.3
159.08049	26.2
159.11679	2.0
160.05222	6.4
161.05968	1.7
161.09615	3.8
163.07526	2.8
168.05687	1.4
169.06458	18.1
169.07689	1.5
170.07280	8.2
171.04398	1.8
173.05942	7.1
173.13254	2.6
174.06752	100.0
175.07506	13.7
176.04665	1.2
183.08127	1.1
185.05942	1.5
186.06750	21.9
187.07530	3.4
188.08308	4.7
189.09096	94.2
190.07764	1.8
190.09462	2.8
191.06996	1.3
191.08749	2.0
191.10638	7.3
201.09103	38.2
201.20502	1.6
202.09406	1.3
203.14330	1.3
218.42371	1.0
219.10147	89.0
219.17345	5.1
219.21475	14.7
220.10536	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99131	0.3
55.05513	0.6
57.03431	0.8
57.07064	0.3
67.05503	1.5
69.07063	0.7
70.46439	1.2
71.04986	0.4
72.29647	0.3
79.05496	1.2
81.07057	2.0
91.05483	4.5
93.07030	1.8
95.04969	0.7
95.08604	2.0
97.06499	0.7
101.93371	0.3
103.05468	1.3
105.07027	4.0
107.08587	1.8
109.06541	0.4
109.10160	0.7
111.04438	0.3
115.05458	3.3
116.06218	1.3
117.07033	2.0
119.08594	3.5
120.08076	0.5
121.06445	0.4
121.10152	1.8
123.04418	0.4
123.08067	0.4
128.05324	0.5
128.06197	3.0
129.06992	10.7
129.07884	0.6
130.07822	0.6
131.04897	2.7
131.05775	0.4
131.08562	12.1
133.10138	2.8
135.08072	0.3
135.11684	0.8
137.06012	0.9
141.06982	9.4
143.08536	1.1
144.05721	2.0
144.09340	0.5
145.06476	2.3
145.10112	2.9
146.07259	1.7
147.11673	1.1
149.05937	0.4
152.06209	0.7
155.06058	0.4
155.08466	0.6
155.73077	0.3
157.06491	4.6
157.10129	0.6
158.07246	4.8
159.04468	0.8
159.08049	8.9
159.11650	2.5
160.05171	1.6
161.05951	0.5
161.09619	1.2
161.13263	1.0
163.07492	0.8
163.11229	0.9
164.11203	0.3
165.07021	5.0
169.06436	3.1
169.07628	0.5
170.07298	1.9
173.06010	1.9
173.09590	0.7
173.13237	1.6
174.06761	20.0
175.07530	4.0
175.14832	0.7
177.05472	0.4
186.06732	4.6
187.07506	1.1
188.08307	1.0
189.05640	0.5
189.06995	19.1
189.09090	20.5
190.07768	38.5
191.08543	100.0
192.08911	3.5
201.05428	1.1
201.09100	10.7
201.12715	0.6
201.16414	2.6
203.14296	4.3
204.07774	0.4
218.07338	1.1
219.08028	44.7
219.10159	24.3
219.13789	1.9
219.17422	18.2
220.08498	2.1
220.10516	0.7
220.17757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0803
Annotation	2-Hydroxypyrene
Peak:m/z	Relative Intensity
55.05402	0.7
55.05645	0.3
62.10045	0.3
67.05407	0.6
69.06952	0.5
71.04881	0.3
71.37540	0.8
79.05405	0.6
81.06922	1.8
84.82990	0.3
91.05347	2.6
93.06915	1.4
95.04827	0.4
95.08477	1.3
95.09037	0.5
97.06454	0.4
103.05365	0.5
105.07021	1.9
107.08468	1.3
109.10061	0.6
115.05455	1.6
116.06195	0.4
117.06892	1.3
119.08559	2.1
121.06408	0.3
121.10146	1.5
123.07955	0.5
125.09547	0.4
128.06125	1.3
129.06999	5.4
130.04053	0.4
130.07700	0.5
131.04832	1.3
131.08563	5.6
133.10106	1.8
135.08005	0.4
135.11676	0.7
137.05830	0.6
141.06992	4.6
143.08493	0.4
144.05605	0.8
145.06435	1.4
145.10133	2.8
146.07161	0.8
146.10745	0.3
147.04349	0.4
147.07964	0.4
147.11586	0.9
149.05849	0.5
149.13222	0.3
152.06148	0.7
154.79938	0.3
155.08482	0.5
157.06517	2.2
157.10103	0.4
158.07288	2.6
159.04352	0.7
159.08066	3.7
159.11723	2.2
160.05176	0.7
161.09592	0.8
161.13280	1.5
163.07460	0.4
163.11143	0.5
165.05743	0.4
165.06995	5.7
169.06416	1.4
170.07236	0.7
173.05960	1.4
173.13213	0.7
174.06761	9.9
175.07430	1.8
175.14819	0.5
176.06154	0.6
186.06715	1.7
187.07545	0.4
188.08250	0.4
189.05699	0.5
189.06987	17.8
189.09077	10.5
190.07770	37.9
191.08546	100.0
192.08897	3.5
201.05482	0.6
201.09111	4.8
201.12907	0.3
201.16396	2.3
203.14288	3.4
218.07358	0.8
219.08107	46.1
219.10216	10.2
219.13896	1.0
219.17441	12.9
219.19609	0.4
220.08551	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06574	6.6
66.97595	6.9
68.21172	6.3
68.78214	6.9
69.89732	45.5
72.32379	6.6
81.03407	12.8
94.06570	100.0
94.07119	13.7
98.97581	60.7
101.03188	7.9
108.98085	6.7
116.98575	35.7
119.01891	14.5
121.02348	7.4
124.35818	6.5
131.01907	9.3
134.99648	15.4
153.05730	8.5
162.36800	7.4
164.31604	7.5
177.00610	11.7
196.02925	7.5
196.04549	13.6
219.07141	19.0
219.17429	23.4
220.04608	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	218.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00012	1.8
53.03936	5.0
55.01865	5.2
55.05510	16.3
56.05035	4.8
56.05834	5.6
56.96564	100.0
57.03437	11.8
58.06579	1.9
59.04993	2.5
60.04518	7.3
60.05634	2.4
60.08178	4.6
60.95845	7.2
61.02912	9.8
65.03933	2.8
66.96543	1.8
67.05507	5.8
67.43275	1.9
68.05019	2.7
69.03429	10.7
69.07069	9.3
69.86996	1.7
70.06593	25.7
70.08937	8.0
70.98114	4.3
71.01347	4.4
71.04987	7.8
71.95266	3.8
72.04517	22.3
72.08153	11.4
73.02911	13.9
74.06071	2.6
74.97639	2.2
76.50601	2.1
77.00812	1.9
79.05486	5.2
81.03407	9.0
81.17923	1.9
82.06577	3.8
83.04976	16.0
84.04491	7.5
84.05309	9.4
84.08144	35.2
84.96044	6.2
85.02901	23.1
86.06062	12.7
86.09704	6.1
87.00827	3.0
87.04465	17.7
88.07625	4.5
88.99181	2.5
89.02416	2.2
89.03905	10.5
89.06024	2.1
91.05450	2.6
94.02933	14.7
95.01299	2.4
95.04957	4.7
96.04511	3.1
97.02908	9.4
97.06523	5.4
97.96802	3.2
97.99217	3.0
98.06054	4.7
98.97578	62.9
99.04471	5.8
100.03951	9.1
100.99143	2.6
101.00880	5.1
101.02428	2.4
101.06020	6.7
102.05531	6.9
102.06331	3.2
102.97070	3.7
103.02406	2.4
107.04951	2.4
107.08624	2.1
109.02896	8.0
110.01254	4.6
110.06047	5.3
110.07165	2.0
110.09682	1.9
110.97556	6.7
111.04441	15.1
111.99384	1.8
112.04012	4.2
112.04777	13.3
112.05443	1.7
112.07610	3.2
112.99146	2.7
113.02370	5.1
114.01897	3.0
114.05537	4.7
115.03983	3.1
116.07073	2.5
116.97822	3.8
116.98627	54.9
117.02024	5.7
117.03402	6.3
117.99010	2.3
118.01054	2.1
118.03527	4.0
118.06550	2.1
119.01918	35.5
120.01189	2.8
120.01970	16.0
120.08145	2.6
121.01660	4.5
121.03408	3.7
124.03937	5.4
124.99134	4.1
126.02583	8.0
126.05547	3.7
127.03911	7.6
127.07515	2.2
128.01289	3.1
128.02286	4.4
128.07095	9.6
128.07898	2.4
128.98604	10.7
129.04028	2.5
129.05481	4.8
129.10265	7.9
130.04991	30.6
130.05823	3.9
130.08623	4.5
131.00186	6.1
131.01894	7.9
131.03461	2.5
132.01993	2.1
133.01645	6.9
133.03456	12.6
134.99660	44.4
135.03123	8.9
135.04414	19.7
135.99965	3.3
136.02740	3.4
136.06207	7.7
136.93102	3.7
137.02930	11.0
137.06007	2.7
137.53464	2.2
138.03090	6.4
138.05490	6.3
139.02710	3.5
140.00243	2.5
140.03421	3.7
142.03845	4.0
143.00157	16.6
143.01877	4.7
144.03545	2.5
145.01685	4.1
145.02812	6.1
146.01230	3.4
146.03471	14.5
146.99619	13.1
147.03188	2.2
148.03917	2.6
149.01224	7.8
150.01810	4.9
151.04404	11.0
152.05687	2.1
153.00719	8.2
154.03641	2.1
154.04927	3.9
154.08678	2.6
154.94156	4.3
155.04683	3.2
155.07042	9.3
156.06393	49.4
156.07440	11.1
156.10168	15.9
157.03534	3.2
158.01253	4.9
158.99692	11.1
159.03088	4.2
159.05136	2.8
159.06679	2.6
161.01236	25.3
161.02942	11.8
163.03882	60.8
164.02345	3.0
164.04424	9.7
165.00748	4.1
165.04324	2.2
167.04619	2.2
168.99937	1.9
169.01730	3.2
170.04524	3.5
170.99690	3.2
171.05016	6.7
172.04662	3.5
172.06053	36.2
172.95229	9.2
173.01282	3.5
173.02928	4.6
173.08112	4.6
174.08492	14.5
174.11263	17.7
174.99161	4.8
175.02780	4.5
175.04424	5.1
175.11981	2.0
175.99532	5.0
176.02269	3.0
176.04259	8.7
177.00723	22.5
177.04265	2.4
179.02310	3.0
182.04903	2.0
185.01228	8.8
185.02794	2.8
187.02721	5.8
187.04449	4.2
189.00752	7.5
189.06108	7.3
190.05678	2.5
190.07176	16.9
190.96301	6.6
190.98575	2.4
191.02296	5.8
191.03966	4.3
192.04121	5.4
193.00220	11.3
194.00552	12.5
194.05244	28.6
195.01843	4.5
195.03551	4.5
195.05290	3.8
200.05441	5.6
200.07202	2.6
200.09422	2.9
200.12794	3.8
201.00795	4.6
201.02475	7.2
201.05945	2.0
201.08823	2.5
203.02289	8.4
203.03960	2.5
208.03441	2.3
209.05672	2.8
212.06325	7.9
212.98512	5.3
213.00687	7.9
213.04388	2.6
218.05141	8.3
218.06790	34.3
218.08382	4.3
218.11052	15.6
218.13895	3.1
218.17459	28.7
218.21150	3.5
219.01759	6.6
219.03658	9.3
219.07068	22.4
219.17477	5.9
221.03299	2.2
230.99594	4.0
231.01863	7.3
236.06285	17.1
237.02843	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	218.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67733	5.4
55.05494	15.5
56.05021	9.7
56.05830	7.7
56.96564	90.6
57.07049	8.1
58.52900	6.0
60.95825	9.9
67.05506	7.0
70.81174	9.6
70.81547	11.3
71.08604	6.4
77.00871	6.3
83.04980	20.8
84.05302	15.8
95.01949	13.3
95.08621	7.1
98.97578	72.5
100.02466	11.5
101.00890	10.9
102.06374	5.9
111.04474	10.5
112.04754	17.3
114.06336	7.7
116.98617	75.0
118.03512	11.7
119.01922	59.9
120.02024	35.5
121.01672	16.5
129.03867	5.5
130.05804	7.1
133.03447	16.9
134.99661	69.2
137.02965	26.7
138.03056	16.3
145.49687	6.4
146.03601	13.5
146.06749	6.2
151.04514	11.5
153.00658	18.7
155.07065	12.0
156.05109	11.6
156.07404	39.8
158.01292	10.2
160.11990	6.2
161.02931	11.2
164.04738	10.3
171.05046	8.3
172.01550	11.2
172.94125	30.2
173.02962	15.3
173.08080	7.0
174.06216	10.4
174.08405	13.5
175.06136	5.3
176.02290	9.3
176.04305	11.0
176.05869	8.1
177.00865	44.0
178.00967	6.5
189.06055	8.0
190.02530	8.0
190.05905	5.8
190.95244	58.3
191.03885	6.1
192.04166	5.0
193.98705	7.4
194.05255	13.1
195.04977	11.6
196.04547	16.6
208.96507	6.5
212.98599	8.0
213.00671	6.9
213.02458	9.6
213.04265	9.5
213.06123	31.9
213.96910	10.9
217.98840	6.4
218.11060	20.4
218.21107	6.7
219.01959	100.0
219.07147	32.0
219.17479	7.2
230.93347	31.3
230.99420	6.3
231.01709	6.6
235.99866	33.5
236.07700	12.2
236.99518	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	217.1586
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03954	1.7
55.01863	2.9
55.05264	2.1
55.05510	35.3
56.96570	5.5
56.96792	1.3
57.03408	1.1
59.04981	3.7
63.31393	1.3
65.03909	1.2
67.05501	17.9
69.03436	7.0
69.07073	6.8
70.88783	1.2
70.89117	2.2
71.04981	2.9
73.02915	1.7
79.05485	13.3
81.07054	28.7
83.04977	49.0
83.08607	4.5
85.06548	5.4
87.04462	5.0
89.02381	4.2
89.03908	2.4
89.06013	8.9
91.05476	21.4
93.07037	22.1
95.04959	10.2
95.08601	21.3
97.06531	4.1
99.04436	3.1
101.06023	18.5
103.05425	1.3
105.07024	49.5
107.04949	2.0
107.08602	15.3
109.06516	9.6
109.10146	9.4
111.04436	69.3
111.08064	2.6
113.06006	7.5
115.05451	4.8
117.03355	2.9
117.07013	18.1
119.08575	38.0
121.06494	5.4
121.10161	11.7
123.08075	8.6
127.07523	10.2
128.06198	6.0
129.05490	16.6
129.06981	14.7
130.07768	3.1
131.08560	31.2
133.06508	1.5
133.09212	2.0
133.10127	22.3
135.04410	4.2
135.08029	9.0
137.06018	1.4
137.09586	1.7
141.06998	2.2
142.07776	14.7
143.00208	1.6
143.08559	28.9
144.09332	10.3
145.02869	3.2
145.10126	18.3
147.08070	7.8
147.11702	14.4
149.09596	3.9
155.07025	82.6
156.07390	1.7
156.09370	9.8
157.10123	41.8
158.10872	2.8
159.11690	100.0
160.12431	1.4
161.01225	2.3
161.05966	1.7
161.09612	13.6
161.13269	13.3
162.10320	1.3
163.03911	20.3
169.10139	2.5
170.10828	1.8
171.08018	1.6
171.11668	16.1
173.08095	52.8
173.13272	13.4
175.07594	1.5
175.11160	9.1
175.14818	6.4
184.08969	1.3
184.12488	2.4
185.01193	2.2
187.14815	1.4
189.00743	2.1
189.09145	1.6
189.12753	5.4
189.16379	17.0
199.09625	3.5
199.11224	4.4
199.14822	43.7
203.02295	1.7
217.04985	1.7
217.08727	3.5
217.10631	43.2
217.15881	89.9
218.16165	1.6
231.01823	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	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03936	2.6
54.05480	1.7
55.05276	2.0
55.05504	13.5
57.03411	1.6
67.05499	19.6
69.03412	3.2
69.07067	7.1
71.04993	2.6
71.44899	4.0
73.31699	1.8
75.28318	1.6
79.05486	29.8
81.07053	68.1
83.04964	10.5
83.08628	2.8
91.05476	30.4
92.34184	1.6
93.07040	29.2
95.00146	1.7
95.04964	16.5
95.08610	21.4
97.06511	1.9
101.06052	2.5
103.05444	2.9
105.07025	49.1
106.07363	1.6
106.69046	1.5
107.08594	25.7
109.06520	12.2
109.10160	12.7
109.97260	1.4
111.04443	12.0
113.05975	2.3
115.05459	3.0
117.07011	13.0
119.08582	29.7
121.06528	3.8
121.10143	18.5
123.08052	4.7
128.06203	12.0
129.05495	2.2
129.07021	18.0
131.08568	26.5
133.10133	17.4
135.08038	10.9
137.09639	3.0
141.07025	2.5
142.07764	13.6
143.08556	38.5
144.09334	6.0
145.10103	20.2
147.08099	4.3
147.11699	10.1
149.09657	2.2
155.07024	17.3
155.08354	3.3
156.09344	5.2
157.08928	3.3
157.10127	44.9
158.10942	3.2
159.08006	2.1
159.11687	57.9
161.06064	1.9
161.09631	12.8
161.13257	4.0
169.10121	4.4
170.10870	1.9
171.11679	28.5
173.08067	9.0
173.13306	13.1
173.69507	1.7
175.11153	5.3
175.14891	2.7
184.12517	3.4
187.14735	2.0
189.09061	2.9
189.12779	2.5
189.16371	8.4
199.14810	43.4
199.16568	2.9
202.06339	2.2
217.08755	3.5
217.10661	6.6
217.15875	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	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03922	0.8
55.05510	8.5
58.25415	0.8
59.05002	0.8
65.03905	0.8
67.05226	0.8
67.05512	8.9
69.03408	2.0
69.07073	4.3
69.89713	5.5
71.04979	2.4
79.05498	9.1
81.07056	20.0
83.04976	7.2
85.06533	1.3
91.05482	13.3
93.07043	15.9
95.04358	1.5
95.04969	27.8
95.08598	12.5
97.06491	1.5
98.20837	1.6
101.06011	1.5
103.26910	0.8
105.07028	44.2
107.08585	10.9
109.06528	11.7
109.10171	7.7
111.04450	6.0
111.08095	0.9
115.05452	2.8
117.07012	9.2
119.08577	22.1
121.06485	2.6
121.10143	18.2
123.08096	5.4
127.07600	1.2
128.06224	7.6
129.06999	10.3
130.07808	1.9
131.08571	18.2
133.10118	11.8
135.08060	2.3
135.11716	1.2
137.09607	1.6
141.06998	3.9
142.07770	15.4
143.08559	26.3
144.09326	6.0
145.10129	13.5
147.08043	4.2
147.11678	9.5
149.09637	2.3
155.07022	7.2
155.08554	2.7
156.09366	5.2
157.10126	41.2
158.10805	2.6
159.11696	38.8
161.09636	9.6
161.13219	4.2
169.10106	3.1
170.10851	2.3
171.11661	12.5
173.08104	4.0
173.13220	4.5
175.11192	11.7
175.14813	3.0
182.10837	1.4
184.12473	2.7
187.14854	1.3
189.12723	3.3
189.16409	6.6
199.14822	29.4
217.10698	3.0
217.12369	2.7
217.15878	100.0
218.16273	1.8
224.04881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03931	1.9
55.05511	9.2
57.03439	2.0
57.07077	1.7
58.64062	1.0
67.05502	11.3
69.03432	1.5
69.07068	5.9
69.96552	5.1
69.96954	1.9
75.59137	1.1
79.05500	12.1
81.07056	23.2
83.04962	5.3
83.08607	2.2
91.05478	19.4
93.07049	19.1
93.67363	1.1
95.04986	8.4
95.08599	20.7
97.06542	2.1
101.06007	1.9
105.07027	45.7
107.04954	1.7
107.08603	17.2
109.06493	6.8
109.10168	7.3
109.79428	1.2
111.04472	6.6
115.05477	2.8
117.06997	5.8
119.08583	27.0
121.06484	3.4
121.10148	8.9
123.08080	4.1
128.06212	9.8
129.07005	14.2
130.07835	2.1
131.08569	22.9
133.06471	2.7
133.10132	18.5
135.08066	3.9
135.11742	2.2
141.06993	3.7
142.07776	16.3
143.07469	2.4
143.08562	36.7
144.09328	4.2
145.10133	15.0
146.07272	1.2
147.08035	4.7
147.11658	9.3
149.09599	3.1
155.07022	5.8
155.08392	2.4
156.05693	2.7
156.09369	5.3
157.10133	42.1
158.10934	3.0
159.10423	2.1
159.11696	31.5
161.09615	12.5
161.13226	4.3
169.10158	4.4
170.10944	3.9
170.66563	1.2
171.11691	13.2
173.08109	4.0
173.13271	7.1
174.06786	1.6
175.11237	7.4
175.14828	4.0
184.12511	4.0
187.14822	3.3
189.09038	1.5
189.12726	2.4
189.16321	10.5
197.13237	1.3
199.14819	42.0
200.15007	1.4
202.13547	1.4
203.26566	1.3
217.08702	2.4
217.10637	3.4
217.15883	100.0
218.16206	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03925	1.9
55.05507	10.0
57.77945	0.9
65.03944	1.1
67.05500	8.7
69.03413	2.1
69.07069	6.7
70.23878	5.0
71.04965	3.0
79.05487	7.6
80.98051	0.9
81.07055	20.6
83.04980	11.3
83.08607	1.7
85.06537	1.3
87.19335	1.2
89.06030	2.1
91.05474	12.9
93.07042	14.7
93.35003	0.9
95.04958	11.6
95.08039	1.4
95.08605	20.1
97.06495	2.0
101.06002	3.8
105.07024	40.1
106.07338	1.2
107.08595	17.0
109.06522	7.3
109.10149	5.9
111.04440	10.7
111.08113	1.7
113.06034	1.6
117.07018	11.1
119.08574	34.4
121.06508	3.2
121.10132	13.4
123.08043	7.0
127.07523	2.0
128.06212	6.1
129.05490	2.3
129.07007	9.9
130.07806	2.9
131.08571	23.5
133.06404	1.2
133.10135	19.1
135.08057	3.6
135.11700	2.0
137.09586	3.0
141.07001	1.7
142.07761	13.4
143.08551	17.6
143.09650	1.0
144.09329	9.3
145.06468	1.1
145.10123	18.0
147.08040	3.7
147.11682	17.6
147.12785	1.7
149.09628	1.8
155.07033	13.0
155.08463	2.1
156.09329	5.3
157.10127	44.5
158.10712	1.4
159.08102	2.0
159.11687	82.3
161.06047	1.1
161.09605	17.2
161.13208	9.4
161.14426	1.2
169.10132	1.9
170.10959	1.6
171.11679	13.6
173.08122	8.0
173.13239	10.0
175.11180	11.2
175.14796	3.6
184.12480	1.5
187.11148	1.3
187.14716	1.5
189.12752	4.6
189.16383	14.8
197.13405	1.1
199.14821	30.1
202.13499	1.2
212.72472	1.1
217.08569	2.8
217.10704	5.4
217.12466	2.9
217.15878	100.0
218.16200	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
52.18020	0.6
53.03942	2.3
55.01860	1.0
55.05508	6.1
57.03415	0.8
57.07079	0.8
59.20054	0.8
60.69759	0.7
63.65186	0.7
67.05506	7.3
69.03413	2.0
69.07074	4.3
69.07407	1.0
70.53687	1.4
70.54074	1.5
71.04982	2.6
79.05486	8.4
81.07058	20.5
83.04967	2.6
83.08605	1.4
85.06537	2.0
91.05470	10.6
93.06477	1.1
93.07045	19.8
95.04971	24.0
95.08614	11.6
97.06532	3.9
97.10191	0.8
97.37438	0.7
103.05441	0.8
105.07030	26.8
107.04965	1.8
107.08591	14.0
109.06516	11.7
109.10158	5.7
110.30195	0.7
111.04436	2.4
111.08064	1.6
115.05446	0.9
117.07018	8.1
119.04942	0.8
119.08585	21.2
121.06499	2.4
121.10143	29.3
123.08079	7.8
128.06216	2.9
128.29187	0.7
129.07011	7.9
130.07727	1.6
131.08569	16.0
133.06499	1.3
133.10130	11.8
135.08083	3.5
135.11671	2.3
137.09613	3.1
141.06956	1.1
142.07764	8.8
143.08545	10.2
144.09366	4.3
145.10129	8.0
147.08037	4.1
147.11684	9.0
149.09605	2.7
150.90433	0.8
155.07042	3.2
155.08467	1.2
156.09337	3.0
157.10127	29.9
158.10907	0.9
159.11696	44.5
161.09619	17.7
161.13200	3.5
162.10391	0.9
166.74500	0.8
169.10120	1.6
170.10947	1.2
171.11711	4.8
173.13278	4.5
175.11203	11.8
175.14799	2.3
177.06911	0.7
184.12436	1.1
189.12744	2.4
189.16362	6.7
199.14825	19.0
202.13544	1.1
217.15874	100.0
218.16249	3.0
222.57518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03946	1.0
55.01859	1.5
55.05511	8.9
57.03431	1.0
62.44660	0.7
64.37020	0.7
67.05493	7.0
69.03412	2.2
69.07065	4.8
70.60246	2.5
71.04975	2.2
75.16677	1.0
75.30890	0.8
77.03950	0.8
79.05491	6.9
81.03451	0.8
81.07050	14.6
83.04983	6.3
83.08592	2.0
85.06547	1.1
89.06017	1.7
91.05478	13.5
91.06013	1.7
93.07043	13.9
95.04967	17.1
95.08607	13.2
97.06499	1.1
101.06032	1.3
105.07023	50.6
107.08588	12.7
109.06522	6.5
109.10138	6.1
111.04453	10.0
113.05943	1.2
115.05438	1.9
117.06995	7.0
119.08578	26.4
121.06477	3.1
121.10133	13.5
123.08060	6.2
124.04409	0.9
124.33457	0.7
127.07523	1.0
128.06209	10.3
129.05513	1.7
129.06995	8.9
130.07759	1.2
131.08562	15.4
133.06424	0.9
133.10120	15.4
133.91557	0.8
135.08029	2.2
137.09605	1.5
141.06990	1.4
142.07764	10.9
143.08539	16.8
144.09352	4.4
145.10124	11.2
146.07339	1.4
147.08043	3.2
147.11673	13.8
149.09612	1.9
155.07045	10.8
155.08342	1.1
156.04501	1.6
156.05695	19.2
156.07011	1.2
156.09341	4.4
157.10124	31.9
159.08051	1.7
159.11684	38.9
161.05945	1.2
161.09610	10.2
161.13251	5.2
169.10158	2.1
170.10909	1.1
171.11711	8.8
173.08131	6.5
173.09525	1.1
173.13243	4.7
174.06679	2.5
175.11163	10.4
175.14874	1.3
184.05112	1.2
184.12488	1.5
187.14746	1.0
189.09132	2.2
189.12767	7.4
189.14317	0.9
189.14851	1.1
189.16313	7.5
199.14809	21.3
202.06265	3.5
204.56454	0.8
217.08720	16.5
217.10742	4.2
217.12344	3.8
217.15865	100.0
218.16240	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03945	1.5
54.96869	1.5
55.01869	1.5
55.05505	9.4
55.48713	1.4
57.03424	2.3
57.07069	1.4
67.05503	12.2
69.03404	2.0
69.07060	5.6
71.04971	1.4
71.07531	4.3
75.75108	1.4
79.05482	14.1
81.06596	1.7
81.07053	32.4
82.07462	1.2
82.19747	1.3
83.04956	6.3
84.36880	1.2
85.06549	1.5
91.05478	23.2
93.07038	22.4
95.04980	9.9
95.08604	28.9
97.06513	2.8
99.58370	1.3
101.06049	1.8
105.07027	44.5
105.60719	1.3
107.04937	2.1
107.08588	21.4
109.06515	9.4
109.10148	7.6
111.04453	5.1
115.05444	2.6
117.07006	14.8
119.08574	29.0
120.04458	1.3
121.06487	5.6
121.10143	10.8
122.74779	1.4
123.08048	5.6
128.06210	9.1
129.07004	17.2
130.07751	1.8
131.08556	28.8
133.06520	2.4
133.10109	17.2
135.08060	6.4
135.11667	2.2
137.09590	1.6
141.07051	3.3
142.07745	12.4
143.08557	41.2
144.09344	3.8
145.10110	18.0
147.08018	5.8
147.11685	10.5
149.09627	2.3
149.13277	4.6
155.05934	2.1
155.07040	9.8
155.08464	3.5
156.09344	7.2
157.10132	38.8
158.10789	1.4
159.08035	2.1
159.11681	37.5
161.05899	2.5
161.09584	12.4
161.13261	5.5
169.10204	2.7
170.10867	1.9
171.11685	22.6
173.08070	5.3
173.13298	10.2
175.11188	5.4
175.14828	3.0
184.12474	3.3
187.14795	5.7
189.12730	2.3
189.16347	12.5
199.14818	45.6
217.10574	3.1
217.12366	4.8
217.15868	100.0
218.16168	3.9
222.72179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03934	2.1
54.78701	1.3
55.05513	13.2
55.07962	1.6
57.03426	2.1
65.03935	1.5
67.05503	9.9
69.03434	1.7
69.07056	4.4
70.64208	1.2
70.94704	3.1
71.04968	2.5
75.97126	1.4
79.05492	7.6
81.07051	19.1
83.04990	10.5
85.06543	2.2
91.05469	16.6
93.07037	15.8
95.04949	8.5
95.08601	20.5
97.06521	1.6
98.20885	1.2
101.06004	3.0
105.07029	42.2
107.08585	14.9
109.06486	6.4
109.10136	6.2
111.04438	10.8
115.05441	2.1
117.07017	18.4
119.08589	39.6
121.06507	2.9
121.10106	8.2
123.08031	4.3
127.07551	2.5
128.06212	5.3
129.05498	2.1
129.07024	9.1
130.07744	3.0
131.08562	29.7
132.64536	1.4
133.10139	20.3
135.08083	2.6
141.06943	1.8
142.07796	13.9
143.08575	19.2
144.09355	10.7
145.10141	12.2
146.76134	1.3
147.08051	4.9
147.11682	16.3
155.06181	1.1
155.07074	12.6
155.08345	2.6
156.09317	5.3
157.10129	39.3
159.11691	100.0
160.12154	1.4
161.09615	11.1
161.13266	12.7
166.19708	1.3
169.10040	1.7
170.10773	1.5
171.11659	7.5
173.08076	5.8
173.13269	8.6
175.11234	6.3
175.14864	3.2
182.64357	1.6
189.12730	1.9
189.16382	19.9
199.14812	26.9
217.08737	1.4
217.10646	3.0
217.15874	62.3
218.16205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03913	1.4
55.01864	1.6
55.05309	0.9
55.05508	11.4
67.05508	10.0
69.03414	1.8
69.07057	5.3
69.55084	9.6
69.70845	1.0
70.07894	1.1
71.04978	3.0
79.05479	6.1
81.07062	19.3
83.04983	13.1
83.08601	2.1
85.06519	1.5
87.04446	2.2
89.06043	1.7
91.05470	12.4
93.07052	13.9
95.04967	7.8
95.08598	21.0
97.06508	2.5
101.06007	2.9
102.98540	1.0
105.07024	37.8
107.04989	1.2
107.08589	12.4
109.06520	9.1
109.10161	8.1
111.04434	15.5
111.08083	2.3
113.06021	1.3
115.05433	2.9
116.06285	1.3
117.07012	14.4
119.08582	34.3
121.06498	2.7
121.10134	10.4
123.08073	3.6
127.07533	2.0
128.06207	5.2
129.05461	3.1
129.06972	10.7
130.07771	2.5
131.08559	22.5
133.06506	1.4
133.10121	23.4
135.08070	2.9
137.09668	1.6
141.06972	1.8
142.07776	12.9
143.08559	19.8
144.09346	10.8
145.06483	1.9
145.10117	14.2
147.08051	3.1
147.11678	14.9
149.09575	2.6
155.07045	19.0
155.08315	1.6
156.09341	2.5
157.10129	38.8
158.10646	1.3
159.11687	100.0
161.06001	1.9
161.09604	11.9
161.13234	10.2
162.73819	1.2
169.10184	2.5
170.10883	2.1
171.11703	9.7
173.08115	14.3
173.13231	11.8
174.10336	1.2
175.11179	7.7
175.14880	5.0
184.12500	3.3
189.12769	5.1
189.16385	16.6
199.14822	38.2
215.58000	1.1
217.08702	2.5
217.10745	9.8
217.15877	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
50.73124	1.0
51.17863	1.1
54.10358	0.9
55.05508	16.5
57.07075	1.3
65.03918	2.0
67.05222	1.1
67.05509	11.9
69.03409	3.3
69.07069	7.4
71.04973	3.2
71.40437	2.1
79.05486	7.8
81.07056	20.4
83.04978	15.1
83.08585	3.3
85.06530	3.3
89.02381	1.3
89.06025	1.5
91.05484	16.2
93.07046	15.8
95.04971	12.9
95.08041	2.1
95.08607	25.0
97.06531	2.2
101.06012	5.1
103.05485	1.2
105.07027	45.0
107.04922	1.2
107.08605	15.0
108.03156	1.2
109.06535	9.5
109.10167	8.2
111.04436	22.1
111.08010	1.2
113.06036	1.2
115.05438	2.1
117.07025	17.8
118.95190	1.2
119.08578	34.9
121.06477	1.5
121.10131	12.2
122.71774	1.1
123.08046	4.3
127.07514	2.0
128.06216	3.4
129.05487	4.2
129.07005	11.8
130.07773	3.7
131.08565	29.6
133.10115	23.7
134.10255	1.3
135.08012	2.1
135.11630	2.3
141.06921	2.2
142.07777	14.2
143.08559	20.9
144.09357	12.5
145.10132	15.0
147.08034	4.3
147.11694	15.7
149.09593	1.4
155.07033	23.2
155.08392	2.3
156.09334	3.2
157.10126	43.8
158.10835	1.4
159.11691	100.0
160.12291	1.8
161.09618	16.3
161.13268	11.8
169.10176	1.9
170.10960	2.1
171.11693	10.4
173.08101	14.8
173.13254	8.2
175.11186	7.3
175.14775	3.6
184.12514	3.0
189.12772	2.8
189.16374	18.8
199.14809	32.6
210.05153	1.1
217.10728	10.5
217.15874	63.0
218.16222	1.4
222.11508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1585
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
50.43650	0.9
55.01867	1.0
55.05502	12.9
59.04996	1.0
65.03939	1.5
66.35551	0.9
67.05495	9.5
69.03425	1.9
69.07052	3.0
71.04981	4.4
71.27283	2.2
74.57283	0.9
76.11978	1.1
76.31671	0.9
79.05487	6.8
81.04552	1.1
81.07049	14.4
82.35558	0.9
83.04968	14.0
83.08611	1.5
85.06538	3.2
87.04459	2.6
89.02386	1.6
89.06033	3.8
91.05490	8.7
93.04539	1.2
93.07034	19.7
95.04963	35.2
95.08606	9.1
97.06519	2.2
101.06012	6.8
105.07024	20.5
107.08588	8.5
109.06519	15.0
109.07629	1.2
109.10168	5.3
110.07156	1.7
111.04438	21.4
113.06030	1.6
117.07023	4.9
119.08576	15.8
121.06499	1.7
121.10130	34.5
122.07154	1.1
123.08066	4.4
127.07551	2.7
128.06200	3.6
129.05470	9.7
129.06987	4.4
130.07793	1.5
131.08546	8.8
133.10112	8.0
134.07115	2.8
135.06651	1.6
135.08028	1.5
135.11693	2.0
136.07451	0.9
136.08669	1.0
137.08208	1.5
137.09581	1.3
142.07779	5.2
143.08525	9.7
144.09344	3.6
145.10077	6.2
146.06093	0.9
147.08003	1.9
147.11687	6.4
149.08261	2.7
149.09538	2.2
151.09689	1.0
155.07030	38.0
155.08386	2.2
156.09312	1.1
157.10112	21.1
158.10907	1.3
159.11687	26.9
161.09624	9.8
161.13242	2.9
163.09740	1.1
170.10826	1.2
171.11691	6.7
173.08113	19.1
173.13196	2.5
175.07683	0.9
175.09761	3.2
175.11197	5.1
175.14806	1.6
176.09348	4.0
177.10085	1.9
189.12756	1.6
189.16377	4.8
190.10886	1.5
199.09541	1.6
199.14821	9.5
200.09338	1.3
217.08594	1.7
217.10699	14.9
217.12263	8.2
217.15883	100.0
218.14110	1.5
218.16148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01854	1.1
55.05510	17.1
57.03428	1.8
58.49692	0.9
59.04993	1.9
65.03899	1.5
67.05499	11.2
69.03428	3.2
69.07080	6.8
71.04987	1.9
71.10354	1.9
71.10687	1.5
79.05489	13.3
81.03405	1.6
81.07053	29.6
81.44912	0.9
83.04973	18.2
83.08632	1.7
85.06541	2.2
87.04462	1.5
89.02367	1.0
89.06010	3.0
91.05478	15.9
93.07038	21.2
95.04960	21.0
95.08601	17.8
97.06525	2.4
97.10151	1.8
98.43115	1.2
101.06009	6.9
103.97717	0.9
105.07026	37.8
107.04980	1.2
107.08582	20.3
109.06511	13.2
109.10140	9.2
111.04430	24.4
111.08063	1.8
113.05978	2.0
115.05411	1.4
117.06995	5.5
119.08572	26.9
121.06481	3.9
121.09304	1.5
121.10143	21.6
123.08079	9.2
127.07584	2.6
128.06216	6.6
129.05463	5.6
129.07002	8.4
131.08562	15.4
133.06491	2.1
133.10130	14.6
135.08070	5.4
135.11681	3.2
137.09630	4.3
141.06950	1.9
142.07758	10.4
143.08563	24.8
144.09312	3.6
145.06517	1.6
145.10132	10.9
146.10976	1.2
147.08032	4.1
147.11679	9.5
149.09598	2.8
155.07036	31.0
155.08383	2.8
156.09322	3.8
157.10124	33.4
158.10893	1.7
159.08115	1.4
159.11687	29.4
161.05989	2.3
161.09593	14.1
161.13266	5.7
169.10083	2.4
170.10918	1.8
171.11659	12.2
173.08081	16.3
173.09483	1.9
173.13255	9.0
175.07562	1.2
175.11238	7.3
175.14809	2.9
184.12415	2.9
187.14854	2.0
189.09042	2.2
189.12738	5.9
189.16359	9.1
195.58171	1.1
199.11197	1.2
199.14809	29.1
217.04982	1.1
217.08618	3.6
217.10692	12.5
217.12376	3.1
217.15869	100.0
218.16205	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01851	1.6
55.05260	1.1
55.05507	20.1
56.96515	1.0
57.03430	1.6
57.07050	1.9
59.04961	1.3
65.03937	1.2
67.05501	18.1
69.03424	2.2
69.07066	8.8
69.73356	1.9
69.73764	5.3
71.04980	2.5
79.05487	22.7
81.03381	1.9
81.07053	38.2
83.04971	16.6
83.08604	3.8
83.59558	1.0
85.06557	1.6
87.04448	1.3
89.02382	1.5
89.06020	2.7
91.05475	34.1
93.07045	32.4
95.04964	17.5
95.08601	26.9
97.06496	2.3
97.10152	1.7
99.04457	1.4
101.06033	6.4
103.05423	1.6
105.07027	51.2
107.04952	3.6
107.08589	34.5
107.09239	0.8
109.06507	14.4
109.10159	14.5
111.04440	23.2
111.08082	3.3
113.05990	1.8
115.05446	4.3
117.07014	18.2
119.08578	37.0
121.06499	5.3
121.10142	17.4
123.08075	7.4
127.07508	3.1
128.06209	12.4
129.05510	6.7
129.06995	23.9
130.07779	3.1
131.08556	26.5
133.06467	3.8
133.10127	19.5
135.08034	5.2
135.11661	4.1
137.09564	3.2
141.06992	4.0
142.07773	19.0
143.08556	52.1
144.09282	4.1
145.10117	22.2
147.08051	6.0
147.11685	13.4
149.09593	4.1
155.07045	29.0
155.08511	4.7
156.09344	5.9
157.06520	1.9
157.10121	51.1
158.10838	3.4
159.08037	1.9
159.10417	2.2
159.11684	32.0
160.12341	1.1
161.09627	24.4
161.13234	5.0
162.10352	1.2
169.10121	4.0
170.10861	2.2
171.07909	1.0
171.11679	19.3
173.08092	13.0
173.09488	1.7
173.13249	7.5
175.11183	6.4
175.14854	2.5
184.12469	3.4
185.67775	1.0
187.14854	4.8
189.09193	1.3
189.12680	3.4
189.16359	10.1
194.22188	1.1
199.09637	2.3
199.14813	47.8
217.08672	2.2
217.10677	10.7
217.12383	2.8
217.15872	100.0
218.16183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
53.03930	1.4
54.38128	0.9
55.01868	1.6
55.05511	13.4
57.03419	1.9
57.07075	1.6
60.18886	1.0
65.03916	1.2
67.05508	12.5
69.03422	2.0
69.07062	11.4
69.24052	0.9
69.99080	6.0
71.04981	2.8
79.05491	13.8
81.03434	1.3
81.07059	23.7
83.04983	10.2
83.08605	4.4
91.05477	23.8
93.07042	20.9
95.04969	8.4
95.08606	20.2
97.06524	2.9
98.20753	1.0
103.05437	1.7
105.07029	51.4
107.04976	1.3
107.08598	24.2
109.06519	12.0
109.10147	7.7
111.04407	5.8
111.08026	1.5
115.05434	2.6
117.07033	10.1
119.08578	34.6
121.06514	5.9
121.10126	12.4
123.08082	6.7
127.07549	1.0
128.06215	9.1
129.05501	1.2
129.07001	13.0
130.07829	1.5
131.08577	24.3
133.06494	3.8
133.10133	25.7
135.08058	3.9
135.11685	2.3
137.09627	2.2
141.06917	2.4
142.07779	15.9
143.08557	36.9
144.09314	4.3
145.06505	1.1
145.10118	17.3
147.08058	11.2
147.11697	13.1
149.09601	5.1
155.07024	6.1
155.08542	3.9
156.09335	5.4
157.10129	36.8
158.10876	2.0
159.08130	1.8
159.11685	27.5
161.09630	16.8
161.13251	5.0
163.11116	1.1
169.10152	3.3
170.10846	2.1
171.11676	11.7
173.08073	3.7
173.09505	1.6
173.13257	15.3
174.10455	1.7
175.11186	11.0
175.14822	4.1
184.12462	4.4
187.14813	2.0
189.09129	1.3
189.12726	3.7
189.16383	12.5
199.14822	39.5
202.13652	1.3
203.42857	1.0
217.15878	100.0
218.16182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	R-(-)-alpha-Cuparenone
Peak:m/z	Relative Intensity
50.57067	0.4
53.03933	0.8
55.01861	0.5
55.05505	2.6
57.03436	0.5
64.54047	0.4
64.69913	0.4
65.03937	0.6
66.55366	0.4
67.05503	6.3
69.03411	1.3
69.07071	2.1
70.98309	1.0
70.98647	0.5
71.04993	3.4
74.66558	0.4
79.05486	5.6
81.06585	0.8
81.07052	14.4
83.04965	0.9
83.08614	0.9
85.06534	0.5
91.05483	6.4
93.07040	16.3
95.04966	26.1
95.08602	7.8
97.06515	2.4
105.07027	17.3
107.08595	8.7
109.06519	12.0
109.10146	5.6
111.08070	0.8
115.05415	1.0
117.07025	5.3
119.04987	0.5
119.08578	14.5
121.06477	1.7
121.10138	30.6
123.08051	6.2
128.06206	1.4
129.07008	4.5
130.07806	0.8
131.08563	9.2
133.10135	7.8
135.08055	1.6
135.11671	1.6
137.09602	2.1
141.06941	0.7
142.07776	5.1
143.08554	7.9
144.09320	3.1
145.10115	5.5
146.07314	0.6
147.08058	1.4
147.11664	6.1
149.09604	1.4
155.08629	0.5
156.09274	1.2
157.10130	21.6
158.10884	0.7
159.11690	28.8
160.08870	0.6
161.09631	8.2
161.13251	2.7
171.11678	3.8
173.13257	2.6
175.11197	5.2
175.14821	1.5
184.12514	1.3
189.12781	1.0
189.16386	4.5
199.14816	13.6
202.13425	0.5
214.93381	0.4
217.15871	100.0
218.16211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1587
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
50.57037	0.6
53.03945	0.8
55.05506	4.0
65.03925	1.2
67.05502	7.0
69.03400	1.4
69.07054	2.7
70.73778	1.3
70.74170	1.4
71.05005	3.5
71.05307	0.7
79.05473	4.1
81.07047	8.2
83.04964	2.6
83.08595	1.0
85.06552	1.0
91.05473	6.9
91.65742	0.6
93.06477	0.9
93.07040	11.6
93.57394	0.6
95.04964	36.3
95.08599	7.0
97.06528	1.1
101.05997	1.4
105.07027	23.1
107.08588	8.4
109.06517	6.2
109.10170	3.8
111.04407	3.1
111.08076	0.9
115.03178	0.7
115.05429	1.7
117.07001	4.5
117.67304	0.6
119.08574	13.4
121.06482	1.4
121.10133	18.9
123.08078	5.2
128.06213	2.9
129.05440	1.0
129.06981	4.6
130.07860	1.0
131.08565	10.9
133.06509	1.0
133.10117	7.8
135.08015	1.9
135.11649	1.4
137.09573	1.0
141.06941	1.2
142.07802	5.9
143.08559	10.3
144.09338	3.0
145.10115	8.6
147.08044	2.8
147.11682	7.7
149.02786	0.7
149.09615	1.7
155.07001	4.4
155.08344	1.0
156.09334	3.9
157.10127	26.1
158.10762	0.7
159.07991	2.2
159.11688	29.6
161.05942	1.0
161.09596	9.8
161.13255	2.4
169.10063	1.2
170.10831	0.8
171.11694	6.2
173.08102	3.4
173.13283	3.6
175.11206	6.9
175.14853	2.2
184.12567	1.5
189.12714	1.9
189.16347	4.5
190.00789	0.6
199.11121	1.0
199.12968	0.9
199.14821	14.3
206.79912	0.7
213.74644	0.7
217.10544	1.6
217.12350	2.9
217.15866	100.0
218.16226	1.4
222.13120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1586
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03936	3.1
55.05511	8.4
57.03428	1.1
57.07082	1.0
65.03928	1.1
67.05502	13.1
69.03420	1.9
69.07069	9.1
70.84763	1.3
71.04980	2.9
77.03868	1.0
79.05488	17.9
81.06581	1.7
81.07056	30.1
83.04975	3.1
83.08617	3.5
91.05477	25.5
93.07043	26.1
95.04987	8.2
95.08607	23.3
97.06522	2.3
97.10181	1.1
103.05444	2.1
105.07027	66.5
106.07332	1.3
107.04992	1.4
107.08594	27.2
109.06521	12.1
109.10156	9.6
112.74140	0.9
115.05450	2.1
117.07021	8.9
119.08579	42.3
121.06522	5.8
121.10139	12.0
123.08080	6.2
123.11697	1.6
128.06212	10.2
129.07010	14.9
130.07750	2.1
131.08565	22.1
133.06467	3.2
133.10121	23.2
135.08049	4.4
135.11649	1.7
137.09544	1.0
141.06990	3.3
142.07779	19.2
143.08557	41.4
144.09290	3.5
145.10115	15.7
146.30405	0.9
147.08072	5.3
147.11688	13.6
149.09624	1.7
155.07198	1.6
155.08560	3.4
156.09302	4.7
157.10136	45.8
158.10851	2.0
159.11688	30.7
161.09628	15.3
161.13237	6.4
169.10152	3.0
170.10889	3.3
171.11697	15.8
173.13257	10.3
175.11183	7.8
175.14810	5.5
184.12482	3.4
187.14816	2.0
189.12788	1.6
189.16391	9.0
193.18515	1.1
199.14827	53.4
200.15263	1.3
217.15877	100.0
218.16229	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
55.50624	0.7
56.96565	66.5
58.99877	0.7
70.98108	2.0
71.18014	1.5
71.95265	1.4
74.97595	1.0
77.00906	0.7
81.03404	0.8
82.99867	1.4
83.04971	2.2
84.96037	1.1
85.01408	2.7
88.99146	1.4
89.06012	0.6
97.96806	1.9
98.97585	21.7
100.99142	0.6
101.00873	19.8
102.01022	0.7
103.02442	14.9
104.00594	0.6
108.99780	0.7
110.00572	1.0
110.97565	1.2
111.04443	2.5
113.00882	0.8
115.02460	0.6
115.97791	1.3
116.00521	0.7
116.98624	14.8
118.00262	2.4
119.01919	100.0
120.02039	1.8
121.01657	1.0
121.03494	9.0
124.99169	0.9
125.01073	2.3
127.00792	1.5
127.02354	2.9
127.99065	0.7
128.98636	1.6
129.00272	0.7
130.00177	0.8
130.96548	0.6
131.00227	0.8
131.01070	1.0
131.01912	12.2
132.01945	1.1
133.00798	0.7
133.98883	0.9
134.99654	7.1
137.02957	30.3
138.03053	1.0
139.00786	3.2
140.00208	0.6
140.01526	1.6
141.98633	0.7
142.03502	2.2
143.00175	1.6
145.03461	63.4
145.95222	4.5
145.98900	0.7
146.01572	0.8
146.03624	1.6
146.99644	3.3
147.01401	5.9
148.01367	1.8
149.01167	0.9
149.02968	4.7
151.00797	0.8
152.01555	1.7
153.00629	1.3
153.02266	0.9
153.98654	0.9
155.07002	2.8
156.00223	1.0
156.03584	0.6
156.97556	0.6
157.01799	2.0
157.03468	1.3
157.51797	0.7
157.97816	0.6
158.99672	0.7
159.02361	1.4
159.05101	0.6
160.01360	0.9
160.04524	0.9
161.01234	1.6
161.02991	1.0
162.99249	1.7
163.04521	38.0
163.96297	5.9
164.01544	1.0
164.04620	0.8
165.00735	7.2
165.02315	1.0
166.01321	0.8
167.02081	0.6
168.02850	0.7
168.05089	3.9
169.01846	1.4
171.01404	3.9
173.02982	1.9
173.08141	1.2
174.01135	1.4
174.97749	0.8
174.99139	4.3
176.02528	0.7
176.98994	1.4
182.02559	7.4
182.52766	1.9
183.01694	6.2
183.99744	0.8
184.02403	1.4
185.00661	0.8
185.02853	0.8
186.06223	0.7
188.98888	1.1
189.02443	21.4
189.06036	0.7
189.51740	0.7
190.03261	1.2
190.98730	3.8
191.02921	1.0
191.04128	1.7
191.48772	0.8
191.53279	1.0
192.02084	1.2
193.00226	23.6
193.01817	1.5
193.53389	1.6
194.00673	1.2
194.02827	2.3
196.02354	1.2
199.00954	2.0
199.02863	1.3
202.00804	1.1
203.01309	0.7
203.03085	1.2
203.51349	0.7
205.02829	1.3
207.01756	1.3
207.03491	11.6
211.01251	9.2
211.03107	1.0
211.51965	0.6
211.99361	1.1
212.01920	1.1
212.03812	1.2
214.00639	0.8
214.95740	0.6
216.01830	0.7
216.98688	1.2
217.01930	4.9
226.01535	0.9
226.03423	2.9
226.53644	1.0
235.03024	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03937	3.9
55.01861	1.6
55.05506	5.9
57.03424	1.2
65.03941	1.3
67.05499	6.2
69.03406	2.0
69.07062	2.0
70.91229	2.3
71.04991	2.1
71.67775	0.8
73.76694	0.9
74.09681	0.8
77.03899	1.6
79.05482	23.2
79.27754	0.7
81.03410	5.8
81.07048	19.3
83.04987	6.7
89.03881	0.9
91.05469	29.3
93.07042	12.2
95.04964	11.5
95.08582	5.2
101.59559	0.7
103.05456	4.0
104.06257	0.9
105.03358	0.9
105.04539	1.5
105.07018	23.6
107.04951	3.3
107.08581	12.5
109.06516	4.9
115.05422	7.0
116.06209	2.4
117.07008	16.1
119.04938	5.4
119.07754	1.4
119.08569	15.1
120.05717	0.8
121.06493	5.0
121.10150	1.5
123.08078	1.2
124.42870	0.7
128.06219	8.0
129.06989	16.6
130.07822	5.0
131.04921	2.9
131.07556	1.5
131.08554	27.5
132.95854	0.8
133.02852	3.1
133.06505	4.1
133.10114	8.3
135.04393	1.5
135.08037	4.2
137.05957	13.6
140.06192	2.2
141.06976	31.0
142.07777	12.2
143.08540	17.6
144.05688	2.7
144.09319	2.6
145.06471	15.9
145.10104	26.0
146.10585	0.7
147.04453	1.6
147.08002	2.6
150.96870	3.3
152.06142	1.0
153.06993	5.7
154.07776	22.9
155.06013	1.6
155.08539	43.4
156.09325	9.8
157.06480	4.1
157.10120	26.0
158.07253	7.1
158.10854	3.2
159.04413	2.5
159.08047	29.5
159.09392	1.4
159.11679	14.5
160.08698	1.5
161.02327	7.1
161.05901	0.7
161.09573	1.1
162.06165	0.7
165.06915	1.5
167.08560	16.6
168.05692	9.9
168.09335	5.4
169.06462	15.2
169.07748	2.0
169.10112	54.8
170.10550	1.5
171.08029	4.8
171.11653	10.2
172.08836	3.0
172.12439	2.5
173.02330	22.7
173.05949	5.8
173.09610	19.3
173.13261	7.5
174.06737	1.0
176.12975	0.7
179.08548	4.2
181.06381	1.2
181.10106	2.0
182.07336	2.0
182.10895	24.2
185.06000	2.2
185.09581	6.6
185.13219	2.7
186.03223	2.0
186.06746	18.2
186.10341	1.6
187.03957	1.0
187.07520	8.0
187.11195	9.7
187.14798	17.7
191.97037	1.1
197.09604	24.2
197.13242	55.4
198.13478	1.4
200.04675	1.7
200.08267	1.8
200.11972	1.7
215.07314	15.1
215.10684	100.0
215.14250	83.0
215.17805	2.0
216.07242	0.8
216.11011	2.1
216.14661	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	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03943	2.3
55.05507	5.3
57.03433	1.2
57.07064	1.2
58.82979	1.0
63.63806	1.0
67.05502	6.9
69.03429	2.4
69.07051	4.2
70.06619	1.0
71.04976	2.5
71.37139	1.4
71.37498	1.5
73.14894	1.1
79.05490	9.5
81.03400	2.0
81.07062	14.0
83.04994	1.1
83.08636	1.0
86.09702	1.1
91.05480	18.0
93.07048	12.1
95.04977	9.5
95.08598	7.9
97.06500	2.1
98.97588	1.1
99.04469	1.1
105.07027	23.5
107.04949	1.9
107.08591	13.4
109.06559	5.0
109.10152	1.2
115.05447	3.6
116.06226	1.8
117.07018	12.1
119.08582	16.4
121.06522	6.3
123.08051	2.4
128.06218	4.3
129.07010	10.9
130.07755	4.6
131.04967	1.6
131.08562	25.8
132.95859	2.2
133.10138	8.2
135.08012	6.4
141.07001	9.5
142.07768	19.4
143.08572	17.3
144.05779	1.2
144.09375	1.9
145.06485	7.3
145.10115	45.0
147.08014	2.6
150.96881	6.6
153.07007	2.8
154.07761	2.5
155.08553	26.5
156.09361	9.4
157.10123	44.0
158.07274	4.8
158.10867	4.4
159.08061	24.4
159.11696	20.1
160.08830	1.5
161.09583	2.8
167.08569	13.7
168.09315	3.7
169.06419	1.6
169.10115	18.8
171.08101	2.1
171.11705	11.6
172.08810	1.7
172.12427	2.1
173.09624	27.3
173.13231	4.7
181.10168	1.4
182.10924	21.3
185.09662	3.3
185.13223	2.7
186.10397	2.0
187.07770	1.0
187.11171	4.5
187.14803	17.8
197.13242	35.0
198.13564	1.3
200.11942	3.3
210.07819	1.3
215.10764	4.2
215.14314	100.0
216.14598	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03934	1.9
55.01875	1.7
55.05519	5.4
55.05739	1.3
56.96536	1.3
57.32207	1.0
65.03922	1.2
67.05497	7.5
69.03414	3.2
69.07056	2.8
70.06577	1.1
71.04967	1.4
71.44001	1.9
79.05493	10.5
81.07053	14.1
83.04966	1.3
84.68346	1.2
86.09710	1.4
90.49493	1.1
91.05480	17.9
93.07034	16.4
94.23746	1.1
95.04959	8.3
95.08599	10.1
98.97570	8.6
103.05490	1.6
105.07024	26.7
107.07939	1.6
107.08595	15.4
109.06503	5.0
115.05465	4.8
116.98595	3.5
117.07007	11.8
119.08577	18.2
121.06502	8.3
121.10120	1.6
123.08125	1.7
128.06227	7.4
129.07007	9.8
130.07777	3.2
131.08569	23.5
132.95810	2.4
133.10124	7.3
134.99582	1.6
135.08040	7.2
141.06975	13.4
142.07770	14.4
143.08556	18.2
144.05650	2.4
144.09282	2.6
145.06482	4.7
145.10117	30.7
147.08052	2.7
150.96867	4.1
153.07045	5.8
154.07768	8.2
155.08556	37.0
156.09351	13.2
157.08929	1.7
157.10133	25.3
158.07245	3.9
158.10864	2.3
158.99681	3.1
159.08052	37.1
159.11700	12.7
160.08763	1.6
161.09668	1.3
165.06985	1.9
167.07240	1.9
167.08565	23.4
168.05804	1.4
168.09338	6.4
169.06439	2.4
169.07806	1.5
169.10110	31.7
171.11646	11.7
172.08795	2.2
172.12434	1.7
173.09627	16.0
173.13245	7.7
177.00703	3.0
179.08492	1.2
181.10150	3.0
182.10905	24.4
185.09610	4.1
185.13223	4.2
187.11136	6.6
187.14783	13.1
191.97235	1.7
195.11673	1.4
197.09547	3.2
197.13251	38.5
200.11925	3.4
215.07152	2.3
215.10721	7.6
215.14311	100.0
216.14601	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	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.01391	0.9
53.03938	1.1
55.05506	5.1
56.96542	1.0
57.03449	1.4
57.07066	1.2
67.05508	5.4
69.03444	2.1
69.07053	3.9
70.97050	1.2
70.97377	2.5
71.04974	3.3
79.05487	7.9
81.07055	11.9
83.04980	0.9
91.05483	14.3
93.07044	12.0
95.04955	6.2
95.08601	5.3
97.06474	1.6
98.97558	1.3
99.19241	0.9
103.05432	1.4
105.07030	20.2
107.08594	10.3
109.06508	5.4
109.10133	2.1
115.05437	2.8
116.06233	1.8
116.98649	1.1
117.07016	10.7
119.08583	12.2
121.06488	3.7
123.08043	1.1
126.60427	1.0
128.06227	3.0
129.07002	10.2
130.07768	4.6
131.08566	23.7
133.06497	1.6
133.10098	4.0
135.08023	3.2
141.06966	7.9
142.07777	21.9
142.08818	1.9
143.08572	14.7
144.09381	2.3
145.06458	5.4
145.10117	39.0
147.08044	2.4
150.96855	1.4
153.07030	3.3
154.07751	2.6
155.08553	16.7
156.09358	11.1
157.10132	51.2
158.07265	3.4
158.10849	4.1
159.08051	25.2
159.11693	23.8
160.08717	1.5
161.09610	1.9
167.08557	13.1
168.09361	2.0
169.10118	16.4
171.07977	1.4
171.11700	7.7
172.08794	1.3
172.12436	3.2
173.09624	23.5
173.13248	5.8
181.10114	1.2
182.10895	17.0
185.09590	2.6
185.13329	2.2
186.10341	1.7
187.11186	3.9
187.14825	17.3
197.13226	30.7
200.11992	4.6
213.12665	1.3
215.14313	100.0
216.14662	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.56183	0.6
53.03937	1.0
55.01870	0.7
55.05505	3.9
56.96547	0.7
57.03429	0.9
65.03893	0.8
67.05492	3.4
69.03411	2.2
69.07044	2.9
69.63448	4.1
69.63859	1.5
71.04979	1.6
72.93765	0.6
77.03951	0.8
79.05486	6.6
81.03416	0.8
81.07045	9.3
83.04971	0.7
85.06570	0.7
86.09695	0.8
86.36403	0.7
88.45195	0.5
90.94799	1.5
91.05471	13.9
93.07045	9.5
95.04975	7.1
95.08607	6.0
98.20741	1.4
103.05412	0.9
105.06371	1.1
105.07028	17.2
107.08580	11.6
109.06504	6.1
109.10110	0.9
115.05434	3.1
116.06216	1.0
116.98570	0.8
117.07006	9.9
119.08578	15.5
121.06496	4.4
123.08037	1.2
128.06194	4.8
129.06992	8.7
130.07793	3.7
131.08559	20.2
132.09264	0.6
132.95805	2.3
133.06473	0.9
133.10095	4.1
135.08054	5.4
141.07010	6.2
142.06744	1.0
142.07779	16.3
143.08553	12.8
144.05710	1.3
144.09328	2.5
145.06464	4.9
145.10106	30.6
147.08028	2.2
149.96120	0.9
150.96880	5.7
153.06978	3.0
154.07764	3.0
155.08543	17.8
156.09331	8.7
157.10120	35.0
158.07262	2.5
158.10896	4.9
159.08051	28.4
159.11674	17.9
160.08665	1.1
161.09610	1.8
167.07227	1.3
167.08546	10.8
167.97211	0.7
168.09293	2.1
169.07607	2.9
169.10107	14.1
171.08005	1.1
171.11656	8.9
172.08847	2.3
172.12427	2.0
173.09610	20.6
173.13245	5.5
173.98401	0.6
182.10910	14.0
185.09576	5.0
185.13277	1.5
186.10289	2.1
187.11165	3.0
187.14806	15.3
191.97142	1.6
197.09589	1.2
197.13254	23.5
198.13490	0.8
199.11226	0.7
200.10265	0.7
200.11868	4.3
209.98215	1.3
215.14296	100.0
216.12553	0.8
216.14638	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	215.1429
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.23208	0.6
53.03938	1.1
55.05510	3.8
57.03423	0.8
57.07064	1.9
65.03921	0.9
67.05500	3.6
69.03420	1.8
69.07057	2.1
71.04988	1.5
71.45856	1.1
79.05486	10.4
81.03399	1.3
81.07052	13.0
83.04971	1.4
91.05479	14.4
93.07041	10.0
95.04970	5.5
95.08585	6.1
97.06545	1.2
103.05527	1.0
105.07026	19.7
106.31724	0.8
107.04948	2.0
107.08587	21.1
109.06520	3.2
109.10155	0.9
115.05418	3.2
116.06232	1.4
117.07014	7.9
119.08572	14.0
121.06529	4.9
123.08067	1.6
123.09381	0.8
128.06216	3.1
129.06993	7.5
130.07777	2.9
131.08557	21.9
133.06488	2.4
133.10132	6.1
134.25890	0.7
135.08078	3.8
141.06979	6.1
142.07777	8.8
143.08568	11.5
144.05644	1.6
144.09285	2.1
145.06468	6.8
145.10117	32.4
147.08076	2.6
150.96976	0.8
153.07005	2.7
154.07750	2.4
155.08540	19.7
156.09349	9.6
157.10121	25.8
158.07259	3.3
158.10852	1.4
159.08046	27.0
159.11682	13.6
160.08736	1.7
161.09660	1.3
167.08545	9.3
168.09271	1.6
169.10115	14.3
171.08038	1.8
171.11676	9.8
172.08836	4.0
172.12381	2.8
173.09610	19.3
173.13229	6.4
182.10909	17.7
183.72816	0.7
185.09602	1.8
185.13281	2.6
186.10379	2.2
187.11188	13.4
187.14819	18.9
195.11682	0.8
197.13243	36.5
198.13499	0.8
200.11952	2.2
215.14310	100.0
216.14621	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
51.02380	1.5
53.03942	2.4
55.01854	2.2
55.05511	9.1
57.03419	3.3
57.07059	1.1
62.47433	0.9
65.03921	1.9
67.05505	10.2
68.13343	0.9
69.03410	3.1
69.07052	2.8
70.92950	1.0
70.99142	1.6
70.99500	2.4
71.04978	1.8
74.09705	1.0
77.03914	1.5
79.05489	11.7
81.03388	3.3
81.07052	27.0
83.04973	5.8
89.03906	1.1
89.96845	1.0
91.04958	1.7
91.05478	23.5
93.07041	15.8
95.04972	11.8
95.08601	8.4
97.39778	0.9
98.98445	1.4
103.05441	3.0
105.03365	1.6
105.07026	26.8
107.04925	3.6
107.07870	1.1
107.08591	18.0
109.06509	5.7
109.10118	1.7
115.05450	10.0
116.06200	2.9
117.07006	16.5
119.04925	1.7
119.08569	20.3
121.06505	5.9
121.10120	2.5
121.63921	1.0
123.08083	1.4
128.06197	7.9
129.07002	14.7
130.07790	5.4
131.04865	5.9
131.08559	32.9
133.02809	3.4
133.06471	5.9
133.10115	12.3
135.08029	8.0
141.06984	23.7
142.07785	13.1
143.08568	18.8
144.05742	6.7
144.09329	3.1
145.05385	1.5
145.06470	21.4
145.10112	40.0
146.07086	1.3
147.04369	3.0
147.08017	2.8
147.11639	1.0
150.96834	4.1
153.06990	7.3
154.07790	9.9
155.05980	2.5
155.08553	40.2
156.09358	9.3
157.06490	5.3
157.10115	29.1
158.07259	9.3
158.10847	3.8
159.04413	9.3
159.06836	1.8
159.08060	28.6
159.10451	1.2
159.11685	21.5
160.08798	2.2
161.02335	11.3
161.09573	1.3
166.07683	1.1
167.08553	18.7
168.05679	1.3
168.09375	5.3
169.06470	8.8
169.07751	1.5
169.10117	36.4
171.04454	7.1
171.07996	3.0
171.11694	11.2
172.08754	3.5
172.12431	3.0
173.00931	1.6
173.02368	23.4
173.05981	11.9
173.09616	24.8
173.13226	8.0
174.02710	1.2
177.05139	0.9
179.08525	2.2
181.10049	1.9
182.07318	2.7
182.10899	31.0
185.05959	4.2
185.09506	2.1
185.13223	4.8
186.03105	2.8
186.06758	5.7
186.10297	1.2
186.13953	2.0
187.03830	1.3
187.07515	8.8
187.11163	7.3
187.14810	20.2
191.97282	1.1
197.05969	6.3
197.09613	5.9
197.13248	51.5
200.04706	2.2
200.08308	2.1
200.11916	2.1
215.07095	34.5
215.10699	68.1
215.14275	100.0
215.17830	4.5
216.10878	1.2
216.14635	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.47825	0.5
53.03939	1.9
55.01861	1.2
55.05509	3.5
57.03423	0.8
57.07064	1.6
65.03944	1.3
67.05502	9.0
69.03420	2.1
69.07044	2.7
71.64832	1.0
79.05489	9.7
81.07053	19.4
83.04959	1.2
91.05473	16.9
93.07040	19.1
95.04965	4.5
95.08601	16.7
96.03712	0.7
99.61242	0.5
103.05457	1.3
105.07025	35.5
106.07368	0.6
107.04948	1.8
107.08587	15.4
109.06522	4.4
109.10163	2.0
115.05448	2.4
116.06229	1.6
117.07020	15.0
118.07346	0.6
119.04942	0.8
119.08578	19.7
121.06496	5.6
121.10123	2.6
123.08056	7.5
128.06226	3.1
129.06966	6.1
130.07832	4.0
131.08562	42.3
132.62187	0.6
133.06441	1.7
133.10143	8.5
135.08064	3.9
141.06984	5.1
142.07784	4.1
143.08562	14.3
144.05603	0.7
144.09306	3.3
145.06430	3.1
145.10117	46.4
146.10526	0.8
147.08017	2.3
147.11711	3.1
153.06978	3.1
154.07727	3.1
155.08551	21.8
156.09351	5.5
157.10118	12.0
158.07289	1.5
158.10872	3.0
159.08051	16.3
159.11682	27.0
160.08795	1.0
161.09624	1.8
161.13245	6.7
167.08566	8.6
168.09280	2.2
169.10121	17.3
171.11691	8.7
172.08865	1.5
172.12422	1.5
173.09634	13.7
173.13229	5.9
181.10056	0.9
182.10895	15.7
185.09557	1.3
185.13228	2.0
186.10417	1.8
187.11226	6.2
187.14810	37.9
188.15170	0.9
195.11681	0.9
197.13257	30.4
198.13553	0.9
200.11932	2.3
215.14305	100.0
216.14618	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	215.1431
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03940	2.9
55.01846	1.3
55.05508	8.4
57.03419	3.1
57.07074	1.7
64.35683	1.4
67.05495	8.5
69.03423	1.9
69.07050	4.6
70.07508	7.7
71.04990	2.4
74.09705	1.4
78.76322	1.4
79.05492	14.8
81.07057	25.8
82.40495	1.6
84.21876	1.3
91.05479	26.7
93.07040	18.8
93.50611	1.2
95.04956	4.9
95.08608	11.4
98.03843	1.1
103.05490	2.1
105.07027	47.6
107.04984	1.4
107.08598	13.1
109.06503	5.3
109.10159	1.7
112.59647	1.2
115.05459	5.2
116.06233	4.3
117.07014	22.3
119.04939	2.4
119.08583	27.1
121.06503	5.8
121.10165	2.9
123.08050	2.2
128.06203	8.4
129.07007	14.9
129.74040	1.4
130.07768	6.5
131.04987	1.2
131.08568	55.8
133.06502	2.9
133.10147	7.1
135.08041	6.1
136.70659	1.2
141.06995	9.6
142.07800	14.7
143.08556	25.1
144.05710	2.2
144.09319	3.2
145.06499	6.2
145.10120	63.0
147.08069	5.7
150.96826	2.2
153.06973	6.8
154.07777	7.3
155.08549	53.2
156.09373	13.7
157.10124	26.4
158.07280	3.8
158.10860	3.4
159.08055	35.5
159.11697	28.2
160.08672	1.5
161.02399	1.5
165.07056	3.8
167.08556	19.6
168.09325	5.7
169.10138	34.9
171.08076	2.0
171.11710	9.1
172.08656	2.1
172.12502	3.1
173.02390	1.4
173.09612	18.4
173.13246	7.3
181.10109	2.6
182.10922	33.6
183.88870	1.4
185.09639	1.9
185.13272	4.4
186.10318	2.1
187.07610	1.8
187.11214	5.5
187.14812	29.4
195.11723	1.7
197.09605	2.0
197.13258	50.7
198.13602	1.7
200.12067	1.7
215.07051	3.6
215.10739	6.5
215.14322	100.0
216.14677	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	215.143
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
55.05499	4.9
65.03593	1.1
65.03904	2.1
67.05505	8.9
69.03411	2.4
69.07053	3.0
70.96783	3.6
71.04979	2.1
75.02734	1.0
79.05487	12.5
81.03396	4.9
81.07053	23.4
83.05008	1.9
91.05474	26.9
93.07032	14.6
95.04966	26.7
95.08601	10.1
103.05475	2.0
105.04543	1.2
105.07024	31.8
107.04945	2.3
107.08582	18.5
109.06563	5.4
109.10140	2.2
115.05436	5.7
116.06272	1.5
117.07010	19.1
119.04946	1.2
119.06055	1.0
119.08570	23.6
121.06491	6.5
121.10161	3.2
123.08021	2.0
128.06187	7.1
129.06999	16.3
130.07841	5.7
131.08562	34.8
133.06473	3.4
133.10094	10.3
135.08017	6.5
141.06987	13.0
142.07791	11.4
143.08554	20.0
144.09334	3.7
145.06450	8.3
145.10120	43.2
147.08025	3.7
147.11694	1.3
150.96884	2.5
153.06993	8.7
154.07762	10.4
155.08546	41.0
156.09349	13.8
157.08919	1.8
157.10136	25.9
158.07262	2.4
158.10864	3.1
159.08031	16.9
159.10384	2.4
159.11676	27.2
160.08842	1.5
161.02339	1.4
166.37599	1.0
167.08568	20.0
168.09364	8.4
169.06485	1.6
169.10126	31.4
171.08046	1.7
171.11662	12.2
172.12447	1.6
173.02325	3.8
173.09610	14.5
173.13232	6.5
174.10291	1.4
181.10092	1.9
182.10936	28.1
185.09622	2.0
185.13237	4.3
186.06705	1.4
186.10397	1.7
186.13994	2.6
187.07477	1.5
187.11182	5.2
187.14806	20.6
195.11734	1.5
197.06021	1.5
197.09570	3.8
197.13252	41.4
200.11949	2.9
215.07129	5.3
215.10704	9.2
215.14302	100.0
216.14622	2.5
224.78235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.28609	1.4
52.50270	1.4
53.03938	3.8
55.01866	2.1
55.05507	8.4
56.96567	3.5
57.03420	4.2
65.03930	1.6
67.05509	9.6
69.07050	4.5
71.04987	3.2
71.14387	2.8
74.09709	1.6
79.05486	16.9
81.03405	1.8
81.07050	26.4
83.04971	4.2
91.02980	1.3
91.05476	30.9
92.12816	1.7
93.07047	18.1
95.04948	6.2
95.08600	15.2
103.05457	4.4
105.07028	49.4
107.04958	2.8
107.08584	11.9
109.06504	5.0
115.05436	9.4
116.06228	5.1
116.25072	1.7
117.07015	24.4
119.04935	3.4
119.08572	28.7
121.06483	7.8
121.10144	3.3
123.08112	1.6
128.06229	10.4
128.37793	1.7
129.07013	21.7
130.07751	6.1
131.04924	2.9
131.07594	3.3
131.08560	59.6
133.02831	2.1
133.06477	4.2
133.10110	4.9
135.08034	5.6
137.05998	1.7
141.05972	2.3
141.06984	25.2
142.06943	1.3
142.07779	15.4
143.08568	26.1
144.05692	2.5
144.09044	1.4
145.06476	10.1
145.10118	64.1
147.08041	2.1
152.06136	2.0
153.06996	10.0
154.07764	18.0
155.08554	54.0
156.09377	16.5
157.06445	3.1
157.10127	33.4
158.07300	7.2
158.09630	3.6
158.10817	1.9
159.08058	33.1
159.11697	25.4
160.08763	1.8
161.02306	2.8
161.13315	1.9
165.06905	2.5
167.08580	22.5
168.05714	4.1
168.09285	6.6
169.06473	8.6
169.10129	58.6
170.10489	6.2
171.08060	5.0
171.11714	8.5
172.08664	4.0
172.12466	1.9
173.02347	9.3
173.06013	3.2
173.09648	21.9
173.13231	5.2
178.07890	1.9
179.08537	2.2
181.10127	2.8
182.10893	36.2
185.09610	4.0
185.13298	3.3
186.06668	3.4
186.10214	2.0
186.13850	2.1
187.03891	1.6
187.07559	3.0
187.11241	8.7
187.14830	29.8
195.11719	2.2
197.05925	1.6
197.09605	13.3
197.13246	53.0
200.04678	2.8
200.07887	4.5
200.11960	2.6
215.07166	17.5
215.10696	46.4
215.14302	100.0
216.14070	2.0
233.84686	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	215.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03930	1.2
55.01866	1.4
55.05510	10.0
57.03442	1.7
57.07062	0.5
60.10836	0.3
63.02386	0.4
63.89252	0.3
65.03925	0.6
65.83348	0.3
67.05509	3.7
67.62127	0.3
69.03410	0.9
69.06719	0.3
69.07055	1.5
70.91814	0.8
71.05000	0.5
77.03899	0.5
79.05492	5.4
81.03418	0.5
81.06586	0.4
81.07053	5.7
83.04977	15.3
89.03925	0.4
91.05478	9.7
93.07029	3.5
95.04949	2.9
95.08607	3.4
97.06517	0.4
103.05466	2.2
105.03378	0.9
105.04517	0.4
105.07024	11.0
107.04954	2.6
107.08588	3.1
109.06544	1.5
112.91074	0.3
113.00846	0.3
115.05439	5.0
116.06221	1.5
117.03367	0.3
117.07016	12.1
119.04941	0.5
119.08569	5.8
121.06487	2.3
121.10128	0.9
123.04407	0.5
128.06215	4.4
129.07008	10.0
130.07796	3.1
131.04927	4.2
131.08566	16.7
132.05710	1.0
132.09268	0.4
133.02849	2.5
133.06482	5.7
133.10098	1.8
135.08011	1.4
137.05971	0.4
140.06166	0.4
141.06989	11.5
142.07774	5.1
143.04906	0.4
143.08559	7.6
144.05701	3.8
144.09377	2.0
145.06479	17.8
145.10110	13.3
146.07228	1.2
147.04439	3.0
147.08084	0.6
147.11678	0.8
149.05995	0.7
150.96814	0.5
152.06111	0.5
153.06982	4.2
154.07761	8.0
155.04950	0.5
155.06041	1.8
155.08551	13.1
156.09325	3.2
157.06474	3.3
157.10123	9.4
158.07265	8.2
158.10858	1.2
159.04457	2.4
159.08057	14.4
159.11685	7.5
159.13022	0.4
160.05159	0.9
160.08836	0.5
161.02342	7.7
161.05978	1.0
161.09612	0.6
165.06995	0.7
167.08551	6.6
168.05702	2.1
168.09360	2.1
169.06458	3.2
169.07671	0.6
169.10120	13.6
170.10544	0.3
171.04369	2.5
171.07977	2.1
171.11705	3.3
172.05165	1.4
172.08820	3.9
172.12498	0.8
173.02342	17.0
173.05966	8.9
173.09630	6.2
173.13272	2.7
174.02660	0.5
174.06673	0.8
174.10387	0.3
178.07713	0.6
179.08638	1.6
181.06474	1.3
181.10138	0.8
182.07332	1.9
182.10905	8.5
185.05957	4.0
185.09612	1.3
185.13249	1.3
186.03226	1.5
186.06766	6.0
186.10353	0.6
187.03862	0.7
187.07558	2.8
187.11163	4.9
187.14803	5.5
197.06023	0.5
197.09615	5.7
197.13248	13.3
199.07487	1.4
199.11214	0.8
200.04701	0.4
200.08322	4.6
200.11932	1.9
215.07083	8.3
215.10675	100.0
215.14191	39.7
216.07651	0.3
216.11020	2.1
216.14594	0.3
222.47591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1067
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
51.02364	0.5
53.03930	1.2
55.01866	1.4
55.05510	10.0
57.03442	1.7
57.07062	0.5
60.10836	0.3
63.02386	0.4
63.89252	0.3
65.03925	0.6
65.83348	0.3
67.05509	3.7
67.62127	0.3
69.03410	0.9
69.06719	0.3
69.07055	1.5
70.91814	0.8
71.05000	0.5
77.03899	0.5
79.05492	5.4
81.03418	0.5
81.06586	0.4
81.07053	5.7
83.04977	15.3
89.03925	0.4
91.05478	9.7
93.07029	3.5
95.04949	2.9
95.08607	3.4
97.06517	0.4
103.05466	2.2
105.03378	0.9
105.04517	0.4
105.07024	11.0
107.04954	2.6
107.08588	3.1
109.06544	1.5
112.91074	0.3
113.00846	0.3
115.05439	5.0
116.06221	1.5
117.03367	0.3
117.07016	12.1
119.04941	0.5
119.08569	5.8
121.06487	2.3
121.10128	0.9
123.04407	0.5
128.06215	4.4
129.07008	10.0
130.07796	3.1
131.04927	4.2
131.08566	16.7
132.05710	1.0
132.09268	0.4
133.02849	2.5
133.06482	5.7
133.10098	1.8
135.08011	1.4
137.05971	0.4
140.06166	0.4
141.06989	11.5
142.07774	5.1
143.04906	0.4
143.08559	7.6
144.05701	3.8
144.09377	2.0
145.06479	17.8
145.10110	13.3
146.07228	1.2
147.04439	3.0
147.08084	0.6
147.11678	0.8
149.05995	0.7
150.96814	0.5
152.06111	0.5
153.06982	4.2
154.07761	8.0
155.04950	0.5
155.06041	1.8
155.08551	13.1
156.09325	3.2
157.06474	3.3
157.10123	9.4
158.07265	8.2
158.10858	1.2
159.04457	2.4
159.08057	14.4
159.11685	7.5
159.13022	0.4
160.05159	0.9
160.08836	0.5
161.02342	7.7
161.05978	1.0
161.09612	0.6
165.06995	0.7
167.08551	6.6
168.05702	2.1
168.09360	2.1
169.06458	3.2
169.07671	0.6
169.10120	13.6
170.10544	0.3
171.04369	2.5
171.07977	2.1
171.11705	3.3
172.05165	1.4
172.08820	3.9
172.12498	0.8
173.02342	17.0
173.05966	8.9
173.09630	6.2
173.13272	2.7
174.02660	0.5
174.06673	0.8
174.10387	0.3
178.07713	0.6
179.08638	1.6
181.06474	1.3
181.10138	0.8
182.07332	1.9
182.10905	8.5
185.05957	4.0
185.09612	1.3
185.13249	1.3
186.03226	1.5
186.06766	6.0
186.10353	0.6
187.03862	0.7
187.07558	2.8
187.11163	4.9
187.14803	5.5
197.06023	0.5
197.09615	5.7
197.13248	13.3
199.07487	1.4
199.11214	0.8
200.04701	0.4
200.08322	4.6
200.11932	1.9
215.07083	8.3
215.10675	100.0
215.14191	39.7
216.07651	0.3
216.11020	2.1
216.14594	0.3
222.47591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31061	0.3
55.01849	0.4
55.05500	1.0
57.07096	0.4
62.39517	0.3
67.05485	0.4
69.06432	0.3
69.07060	1.5
71.64439	0.6
71.99484	0.4
77.64115	0.3
79.05493	1.0
81.07050	0.9
91.05506	0.9
93.07063	1.1
95.04994	0.5
95.08593	0.6
102.24508	0.4
105.07021	1.8
107.04963	0.8
115.05458	1.0
116.06212	0.4
117.07005	0.4
119.04924	0.5
119.08580	1.2
119.81848	0.4
121.10061	0.4
125.05936	0.4
125.41731	0.4
128.06236	4.1
128.50417	0.3
129.07001	12.2
131.08559	0.9
141.06998	3.2
142.07782	16.8
143.08572	8.3
145.10127	1.2
152.06180	0.6
153.07011	0.4
154.07715	0.7
155.08565	2.9
156.09349	2.4
157.10126	100.0
158.10472	2.0
159.08061	0.7
159.11694	1.3
165.06990	3.5
167.07172	0.7
167.08583	1.3
168.09442	0.4
169.10190	2.2
170.10912	1.9
171.08072	2.5
171.11673	6.5
179.08539	0.4
180.09355	2.9
183.07854	0.4
183.11658	1.1
185.09622	1.2
185.13242	5.4
195.08124	0.8
195.10106	0.7
195.11700	6.0
198.10403	0.6
198.14133	0.3
213.09343	2.3
213.13051	8.8
213.16376	54.7
214.16705	1.5
214.21635	0.6
223.66737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1067
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
55.01859	0.9
55.05512	0.6
56.34672	0.5
56.63298	0.5
58.81749	0.5
61.02811	0.5
64.29582	0.5
65.11851	0.5
71.36922	1.3
84.04512	0.8
91.05470	2.2
105.06981	1.0
107.04926	0.6
111.95688	0.6
114.10383	0.6
115.05435	2.0
117.07047	2.7
119.08597	1.4
123.04419	1.5
128.06218	3.4
129.07005	5.0
130.07780	1.4
131.04916	0.8
131.08572	6.0
139.05397	0.7
140.06209	2.1
141.06984	22.9
142.07753	0.6
143.08559	2.0
144.05682	0.8
145.06458	1.3
145.10110	2.0
152.06232	1.1
153.06987	3.6
154.07768	23.4
155.08492	2.2
157.06506	1.2
157.10091	1.7
158.07266	3.2
159.08034	3.0
159.11697	3.1
167.08542	2.2
168.05704	15.0
169.06491	16.3
169.10124	43.9
170.10483	0.6
171.08095	1.0
173.05974	5.5
173.09607	2.2
174.06769	0.7
178.07774	1.6
179.08517	5.1
181.06476	1.2
182.07309	1.7
185.05865	1.3
185.09560	1.2
186.06766	16.5
187.07524	7.1
187.11172	6.7
197.09624	33.6
197.12836	2.8
198.09869	0.8
200.04704	1.2
200.08203	1.2
205.04854	0.6
215.10672	100.0
216.10979	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.16028	1.4
54.24603	1.2
55.01857	3.7
55.05506	13.9
57.03429	7.2
67.05499	23.1
69.03414	3.4
69.07063	9.6
69.97590	7.7
70.80722	1.2
71.01359	3.6
71.04979	4.3
79.05058	1.4
79.05486	20.8
81.03412	4.7
81.07042	12.4
83.04975	7.7
83.08609	2.5
85.06521	1.8
88.07597	2.3
91.05471	14.6
93.07042	31.1
95.04948	4.6
95.08603	3.6
97.06526	4.0
97.10149	3.4
103.05457	1.9
104.25363	1.4
105.07019	24.0
107.04950	6.5
107.08584	15.5
109.10128	2.7
115.05434	4.8
117.07014	7.8
119.04906	1.8
119.08588	14.3
121.06507	2.9
121.10119	5.5
123.04450	1.5
128.06212	26.2
129.06993	26.6
130.07729	2.0
131.08571	8.7
133.10117	2.5
135.11665	22.7
141.06995	10.5
142.07771	22.4
143.08551	61.1
144.09305	3.2
145.06520	3.4
145.10112	12.3
152.06184	3.1
153.05634	1.3
153.06963	6.6
154.07741	2.9
155.08537	21.3
156.09311	19.5
157.06511	8.9
157.10115	60.3
158.07182	1.5
158.10545	1.6
159.08041	3.0
159.11687	11.1
163.07497	1.8
163.11153	4.6
165.06993	34.5
166.07741	3.1
167.07031	8.1
167.08553	9.5
168.09308	3.8
169.10100	9.4
170.10909	16.2
171.08037	26.3
171.11668	15.7
172.08769	4.3
178.07722	1.8
179.08534	5.6
180.09322	31.4
181.12190	3.5
183.08058	7.2
183.11670	5.8
184.08937	1.6
185.05934	2.4
185.09694	8.8
185.13246	47.8
193.10172	1.5
195.08035	4.3
195.11676	64.6
196.11972	2.6
197.09624	2.3
198.06725	1.7
198.10361	10.0
205.17012	1.2
213.05527	3.6
213.09129	11.9
213.12740	100.0
213.16170	18.1
214.13078	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.16028	1.4
54.24603	1.2
55.01857	3.7
55.05506	13.9
57.03429	7.2
67.05499	23.1
69.03414	3.4
69.07063	9.6
69.97590	7.7
70.80722	1.2
71.01359	3.6
71.04979	4.3
79.05058	1.4
79.05486	20.8
81.03412	4.7
81.07042	12.4
83.04975	7.7
83.08609	2.5
85.06521	1.8
88.07597	2.3
91.05471	14.6
93.07042	31.1
95.04948	4.6
95.08603	3.6
97.06526	4.0
97.10149	3.4
103.05457	1.9
104.25363	1.4
105.07019	24.0
107.04950	6.5
107.08584	15.5
109.10128	2.7
115.05434	4.8
117.07014	7.8
119.04906	1.8
119.08588	14.3
121.06507	2.9
121.10119	5.5
123.04450	1.5
128.06212	26.2
129.06993	26.6
130.07729	2.0
131.08571	8.7
133.10117	2.5
135.11665	22.7
141.06995	10.5
142.07771	22.4
143.08551	61.1
144.09305	3.2
145.06520	3.4
145.10112	12.3
152.06184	3.1
153.05634	1.3
153.06963	6.6
154.07741	2.9
155.08537	21.3
156.09311	19.5
157.06511	8.9
157.10115	60.3
158.07182	1.5
158.10545	1.6
159.08041	3.0
159.11687	11.1
163.07497	1.8
163.11153	4.6
165.06993	34.5
166.07741	3.1
167.07031	8.1
167.08553	9.5
168.09308	3.8
169.10100	9.4
170.10909	16.2
171.08037	26.3
171.11668	15.7
172.08769	4.3
178.07722	1.8
179.08534	5.6
180.09322	31.4
181.12190	3.5
183.08058	7.2
183.11670	5.8
184.08937	1.6
185.05934	2.4
185.09694	8.8
185.13246	47.8
193.10172	1.5
195.08035	4.3
195.11676	64.6
196.11972	2.6
197.09624	2.3
198.06725	1.7
198.10361	10.0
205.17012	1.2
213.05527	3.6
213.09129	11.9
213.12740	100.0
213.16170	18.1
214.13078	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.02377	0.8
53.03944	4.8
54.22233	0.6
55.01857	1.8
55.05495	2.9
56.96556	2.0
57.03391	0.7
57.07077	0.9
58.99570	0.5
61.02925	9.4
65.03935	7.2
67.05501	4.8
68.99780	1.1
69.03416	2.2
69.07045	2.1
70.06585	4.7
71.01329	0.7
71.04962	1.4
71.63645	1.1
72.08156	5.5
72.93774	1.4
77.03945	0.8
79.05490	20.5
81.03410	4.3
81.07043	2.6
83.04953	2.0
85.02886	2.1
85.06520	0.7
86.09718	4.9
88.07632	1.5
89.03941	1.5
90.94807	1.2
91.05466	7.9
91.57710	0.6
93.03388	5.0
93.07040	3.3
94.04182	1.0
95.04963	7.7
95.08588	0.8
97.02927	0.9
99.04435	1.0
103.05470	1.0
105.03374	2.0
105.04521	1.8
105.07024	4.7
107.04947	31.0
107.08586	1.4
108.02086	3.3
108.05250	0.9
109.02870	2.2
109.06514	1.3
110.03652	26.1
110.07164	1.3
111.04436	17.3
116.07044	1.1
117.03377	2.9
117.07006	1.4
119.04947	2.4
119.08570	1.4
121.06499	11.9
121.10112	1.1
122.03609	5.5
123.04359	1.2
124.05189	1.7
125.02396	0.9
125.05984	66.2
126.06299	1.1
127.03902	1.1
128.06223	5.5
129.07014	6.5
130.96295	0.6
131.08560	2.3
133.02844	12.6
134.99664	0.9
135.04407	30.7
136.04753	1.0
137.05963	5.1
139.07465	0.7
140.04669	1.1
141.05453	4.7
141.07024	2.9
142.07774	5.7
143.07016	0.8
143.07233	0.9
143.08539	12.7
143.09540	1.0
145.06458	1.0
145.10043	1.0
148.97380	2.3
149.05977	23.9
150.03113	10.5
150.06438	0.8
151.03902	100.0
151.05011	10.4
152.04305	2.1
153.05460	15.2
153.06822	1.2
154.06139	1.3
154.07658	1.1
155.08530	6.1
156.07652	1.3
156.09306	3.0
157.06464	1.7
157.10109	11.5
159.08057	1.7
159.11678	1.4
162.03148	1.7
163.03886	7.5
165.05487	39.8
165.07002	11.6
166.05931	0.6
166.07794	1.0
167.05592	0.7
167.07051	19.9
167.08565	3.7
168.07452	0.8
169.10042	3.8
170.10847	3.6
171.08029	5.5
171.11679	2.6
172.08762	1.0
177.05473	19.6
179.08647	1.4
180.09351	9.0
181.04883	0.9
183.08032	1.9
183.11690	2.2
184.98917	1.5
185.09618	2.3
185.13229	10.6
195.06526	15.6
195.08214	1.4
195.10156	0.8
195.11665	14.8
195.13399	1.0
196.12056	0.6
197.09538	0.7
198.10393	4.1
213.05489	2.9
213.07582	8.7
213.09251	1.7
213.12759	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	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
52.23597	1.1
53.03937	2.6
55.01864	1.9
55.05516	9.0
66.74431	1.1
69.03411	3.8
70.85535	3.9
72.34824	1.1
76.54871	1.1
79.05470	3.8
79.25860	1.2
81.07027	2.4
83.04972	3.5
91.05489	7.8
93.07047	11.7
95.04951	3.8
103.78036	1.1
105.07026	26.8
107.08575	2.1
115.05425	3.8
117.07006	3.9
119.04951	2.6
119.08579	7.7
121.06465	3.1
123.04575	1.1
128.06206	24.3
129.07011	20.7
131.08559	10.2
141.06990	9.0
142.06741	2.1
142.07782	30.6
143.08551	73.8
144.09280	4.1
145.06435	4.5
145.10158	5.7
152.06174	1.5
153.06975	5.4
154.07744	3.8
155.06032	1.7
155.08548	27.8
156.09346	16.6
157.06517	7.6
157.10124	64.2
158.07225	2.6
158.10545	1.4
159.08031	3.2
159.11676	16.7
164.40881	1.3
165.06998	44.9
166.07599	3.8
167.07266	1.4
167.08560	8.5
168.09320	4.1
169.06401	1.6
169.10141	14.4
170.10910	20.8
171.08052	31.2
171.11656	11.8
172.08736	4.3
179.08527	6.5
180.09335	40.7
181.09744	1.4
183.08038	5.7
183.11682	7.9
184.08795	4.7
185.09717	9.2
185.13245	57.6
195.11691	64.3
196.12094	1.7
197.09636	2.3
198.10397	12.7
213.12735	100.0
214.13034	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	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03942	1.7
55.01867	1.7
55.05508	7.8
57.03425	1.5
61.99998	1.1
67.05491	1.3
69.03408	2.8
70.83257	1.8
70.83588	1.8
71.04984	1.1
76.63300	0.8
79.05465	3.6
81.07024	1.4
82.74923	0.8
83.04957	1.3
85.60242	0.8
91.05470	7.2
92.73676	1.0
93.07024	11.0
95.04958	0.8
102.87296	1.0
103.05453	1.3
105.07022	21.4
107.08586	1.5
110.22269	0.9
115.05424	2.8
117.07022	2.8
119.04929	2.3
119.07903	0.9
119.08582	7.8
121.06489	2.5
128.06223	23.6
129.07014	19.0
130.07765	1.1
131.08566	9.7
133.06483	1.3
140.65372	0.9
141.06995	9.2
142.07771	25.8
142.70233	0.9
143.08557	61.4
144.09254	4.2
145.06474	2.5
145.10121	4.5
152.06232	1.1
153.07004	6.2
154.07698	2.3
155.06036	1.4
155.08540	25.0
156.09348	15.0
157.06523	6.9
157.10124	52.5
158.07230	3.0
158.10361	1.0
159.08006	3.7
159.11678	14.8
160.11987	1.0
165.06999	35.9
166.07684	2.7
167.08548	7.7
168.09346	4.4
169.06462	1.7
169.10104	9.3
170.10904	18.7
171.08046	25.7
171.11662	10.2
172.08899	4.4
178.07796	1.6
179.08623	5.0
180.09340	34.5
181.09732	1.2
183.08078	6.1
183.11699	6.4
184.08823	4.5
185.09731	5.7
185.13249	60.8
195.11690	65.8
196.12013	2.4
196.34128	1.0
198.10393	9.7
213.12737	100.0
214.13083	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	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.18886	0.8
50.70312	1.0
55.01851	2.6
55.05487	3.7
57.03419	1.3
67.05498	1.9
69.03409	3.0
69.43132	8.3
69.43530	1.9
77.03934	1.0
79.05462	2.1
81.07051	2.3
91.05454	4.2
93.07034	2.7
103.05450	1.3
105.07032	14.1
107.04935	3.0
110.36872	1.0
115.05448	3.4
117.07030	6.7
119.04929	1.1
119.08591	6.9
121.06453	1.4
128.06219	21.2
129.07011	19.0
131.08586	6.4
141.07004	6.0
142.07774	14.7
143.08559	56.9
144.08995	1.9
144.91620	1.0
145.06482	3.8
145.10110	5.6
147.08096	1.0
152.06213	1.5
153.06990	7.2
154.07745	2.6
155.06039	1.0
155.08551	25.4
156.09341	7.5
157.06500	10.7
157.10127	31.0
158.07178	2.2
159.08075	6.4
159.11662	7.3
165.06992	45.0
166.07587	3.4
166.75572	1.0
167.07036	4.9
167.08557	11.0
168.09366	1.2
169.10136	18.4
170.10918	3.8
171.08043	22.6
171.11658	5.4
172.08658	1.2
178.07770	2.6
179.08560	7.1
180.09334	46.9
183.08020	2.7
183.11635	2.6
184.05182	1.5
184.08853	2.1
185.09657	8.4
185.13251	21.4
193.10199	2.0
195.11693	100.0
196.12025	3.6
198.10370	4.9
213.09174	3.5
213.12733	84.4
214.13098	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.81290	1.6
53.03912	1.7
55.01854	2.2
55.05494	6.9
57.03418	2.2
67.05463	1.5
69.03409	4.9
69.96815	7.8
79.05460	3.1
81.07033	3.3
91.05475	6.9
93.07015	4.6
95.04948	1.9
103.05420	2.1
105.07023	15.0
108.80416	1.4
115.05459	5.2
117.06998	11.3
119.08577	9.4
128.06219	34.2
129.07004	20.5
131.08551	8.9
131.29506	1.5
141.07004	10.3
142.07794	22.0
143.08557	66.1
145.06462	5.9
145.10109	5.5
153.06989	8.2
154.07701	4.0
155.08545	27.7
156.09354	10.6
157.06511	11.5
157.10129	46.6
158.07248	3.0
159.08049	6.3
159.11717	8.5
165.06989	49.8
166.07625	2.7
167.08569	8.9
168.09184	2.0
169.10127	13.5
170.10849	8.6
171.08057	29.7
171.11633	6.5
172.08740	2.9
179.08534	7.6
180.09328	53.4
183.07976	4.6
183.11662	2.3
184.08772	1.7
185.09647	4.6
185.13249	26.8
191.39191	1.4
193.10132	2.0
195.11684	91.3
196.11917	2.0
198.10399	5.8
213.12732	100.0
214.13010	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1274
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.64609	0.9
55.01863	2.4
55.05497	4.0
60.02131	1.0
69.03399	1.6
70.42434	1.1
70.45279	3.9
81.07030	2.1
91.05466	3.0
93.07039	2.4
98.21433	1.1
98.98227	1.0
103.05409	1.2
105.07028	12.2
107.04992	1.2
115.05454	2.7
116.86047	1.0
117.06989	2.1
119.04963	1.0
119.08579	4.7
120.31419	1.1
128.06218	12.0
129.07022	10.0
131.08569	4.1
141.07031	2.7
142.07794	10.9
143.08554	35.2
143.09689	1.7
145.06441	5.2
145.10139	6.5
153.07021	5.1
154.07697	2.3
155.06033	1.2
155.08548	22.6
156.09348	5.4
157.06487	12.7
157.10118	22.8
158.07237	2.1
159.08026	5.5
159.11659	3.2
165.07011	40.3
166.07643	2.0
167.08543	7.1
169.10133	11.1
170.10913	3.2
171.08038	20.5
171.11726	4.6
175.11002	1.0
178.07800	2.1
179.08542	6.5
180.09340	47.6
181.09605	1.6
183.08084	1.7
183.11664	2.2
184.08847	1.3
185.09627	3.6
185.13234	14.6
193.10150	2.0
195.11696	100.0
196.12050	3.6
198.10350	2.0
213.12733	72.7
214.13077	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.60414	1.4
54.04888	1.4
55.05509	4.1
63.57460	1.6
67.05499	2.8
69.03429	5.0
71.07263	3.3
72.93329	1.3
75.42765	1.4
79.05497	4.2
81.07040	3.2
81.92866	1.4
83.04954	3.3
91.05484	5.8
93.07024	7.4
95.04987	2.2
103.05484	2.1
105.07021	12.2
105.82957	1.4
107.04949	3.6
115.05460	4.7
117.07014	2.0
119.08591	4.8
128.06230	16.4
129.07008	19.4
131.08575	9.0
135.08118	1.5
141.06110	1.5
141.06964	8.8
142.07787	18.6
143.07498	3.0
143.08563	47.6
144.09241	2.4
145.06476	3.1
145.10178	3.0
152.06169	2.5
153.07001	6.2
154.07695	3.8
155.08565	26.1
156.09337	7.5
157.06529	7.9
157.08945	2.5
157.10130	31.0
158.59668	1.5
159.08151	3.0
159.11778	3.0
165.07001	28.6
166.07735	2.5
167.07008	5.8
167.08557	9.8
168.09204	2.0
169.10121	8.8
170.10948	9.8
171.08080	24.0
171.11664	15.8
172.08714	2.1
175.08914	1.6
179.08591	4.9
180.09355	26.0
183.08063	4.6
183.11697	4.6
184.08813	1.6
185.09604	8.0
185.13275	41.0
195.08009	2.7
195.11699	48.6
196.12108	1.6
198.10367	9.9
213.05553	3.4
213.09503	12.5
213.12755	100.0
214.13113	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1273
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03929	1.1
55.01863	1.4
55.05513	7.6
57.03424	1.0
57.83528	0.7
62.17612	0.9
67.05491	0.9
69.03403	2.4
69.07031	1.0
69.18584	0.7
70.15376	2.2
70.15795	1.7
72.01584	0.7
72.79720	0.8
79.05495	4.5
80.69711	0.8
81.03391	1.7
81.07031	2.4
82.68292	0.8
87.12886	0.9
91.04940	1.0
91.05479	10.1
93.07049	5.5
95.04937	2.0
98.20755	1.0
103.05414	1.4
105.07029	15.0
107.04950	4.0
107.08582	1.8
115.05447	5.2
117.07018	4.1
119.04959	1.9
119.08593	5.5
121.06539	1.6
127.05415	0.9
128.06219	31.6
129.07013	28.6
130.07841	1.9
131.08539	9.6
132.08853	1.0
132.71376	0.9
133.06477	2.4
135.08051	0.9
136.62311	0.7
141.06984	13.7
142.07782	24.2
143.08559	63.3
144.09413	5.6
145.06471	4.5
145.10117	3.4
152.06207	2.1
153.06984	8.1
154.07761	3.8
155.05988	2.0
155.08556	37.2
156.09355	15.9
157.06573	5.4
157.10123	36.7
158.07260	2.1
158.10498	1.3
159.08047	2.2
159.11693	8.3
165.06999	48.9
166.07732	4.0
167.07193	1.5
167.08568	10.9
168.09363	6.9
169.06487	3.2
169.10104	11.6
170.07307	0.8
170.10915	14.7
171.08049	38.6
171.11688	13.3
172.08699	1.7
178.07770	1.9
179.08553	9.1
180.09343	34.8
181.09741	1.2
183.08046	7.8
183.11687	9.3
184.05093	1.0
184.08865	5.2
184.12305	1.5
185.09740	5.0
185.13255	47.3
186.13568	1.2
193.10095	1.6
195.11688	56.3
196.12122	2.0
197.09628	2.8
198.10387	16.4
213.12738	100.0
214.13080	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	213.1272
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
50.41806	0.9
53.03937	1.1
55.01877	1.0
55.05498	5.7
65.03922	1.1
69.03422	1.7
69.07050	1.7
70.94592	2.9
74.31126	0.9
79.05476	4.4
81.07050	1.6
91.05470	7.7
91.77280	1.0
93.07024	4.4
95.04936	2.4
103.05443	1.3
105.07021	12.0
107.04947	2.2
115.05489	4.7
117.06981	3.2
119.04932	1.3
119.08585	5.2
121.06481	1.8
128.06210	26.0
129.06995	27.7
130.07756	1.3
131.08551	7.3
133.06477	1.9
141.06969	13.9
142.06725	2.0
142.07774	22.9
143.08546	59.4
144.09291	3.4
145.06441	2.6
145.10097	2.5
152.06236	2.3
153.06984	6.5
153.63799	1.0
154.07776	4.8
155.06033	2.8
155.08536	33.0
156.09326	14.6
157.06529	5.3
157.10118	38.1
158.07240	3.6
158.10507	1.2
159.08058	2.7
159.11678	6.2
165.06979	39.1
166.07646	3.3
167.07187	1.9
167.08534	12.4
168.09348	5.6
169.06474	2.3
169.10132	11.6
170.10892	14.9
171.08034	34.0
171.11691	10.4
172.08809	3.0
179.08549	7.2
180.09323	28.9
181.09972	1.4
183.08049	8.0
183.11671	7.2
184.08810	3.8
184.12381	1.1
185.09691	6.5
185.13252	45.0
186.13583	2.1
195.11673	51.3
196.12036	2.1
197.09596	2.3
198.10410	15.5
204.75308	1.1
213.09158	3.9
213.12729	100.0
214.13098	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.00320	0.3
53.03947	1.4
55.01868	1.4
55.05502	1.0
57.00066	0.3
57.03444	0.7
58.28509	0.3
65.03934	0.9
66.58351	0.4
67.05501	1.3
68.99782	0.5
69.03423	1.5
69.07056	0.7
70.06593	0.7
71.04990	1.0
71.64619	0.4
72.08140	2.6
77.03922	0.5
78.04691	3.2
79.05492	8.3
81.03422	1.6
81.07048	1.4
85.02909	0.7
86.09703	3.9
88.07652	0.4
91.05481	5.5
93.03368	0.3
93.07030	1.5
95.04974	3.3
95.08611	0.7
96.05750	0.4
97.02905	0.9
97.06495	0.3
99.04444	0.6
103.05467	8.2
105.03410	0.4
105.07024	7.1
106.04156	1.2
107.04950	56.9
107.08571	0.8
108.05283	0.7
109.02886	1.8
109.06543	0.6
110.03650	0.9
111.04413	0.7
111.08045	0.8
115.05444	4.3
117.06998	1.4
119.04911	1.7
119.08580	0.7
120.05728	2.0
121.06485	1.2
121.10107	0.5
122.03677	0.6
123.04424	6.3
124.05205	3.1
125.04967	0.3
125.05973	1.5
126.09865	0.4
127.03919	3.9
128.06227	1.4
129.07022	2.1
131.04918	2.5
131.08549	0.7
133.02852	0.4
133.06458	0.6
134.03654	0.6
135.04404	0.7
135.08044	14.6
137.05988	1.4
139.03882	0.7
139.05379	0.5
140.04689	0.5
141.06990	1.1
142.07776	2.2
143.08563	3.2
145.06502	0.4
145.07579	1.3
147.04387	1.3
149.05940	0.7
151.03880	2.0
152.04681	2.5
152.06171	0.7
153.05450	0.6
153.07013	0.7
154.06256	3.4
155.08525	1.5
156.09332	0.8
157.06493	0.9
157.10121	3.2
159.11700	0.6
163.07541	25.7
164.08029	0.5
165.05438	1.0
165.07001	2.7
167.07037	100.0
168.07388	1.7
169.10098	0.9
170.10901	1.1
171.08060	1.6
171.11632	0.9
180.07787	3.6
180.09341	1.9
184.05107	0.5
185.05963	0.7
185.09496	1.6
185.13225	2.0
185.16612	0.5
195.08084	2.1
195.10150	14.1
195.11716	2.8
198.06766	0.5
198.10338	1.1
213.05510	1.3
213.09308	4.0
213.11128	1.4
213.12885	3.9
213.16313	1.2
223.53503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01861	0.6
55.05505	1.4
56.05035	0.5
56.96300	0.6
56.96565	9.9
57.03435	0.8
59.04996	0.5
61.02917	0.8
65.03950	0.4
67.05489	0.9
68.05007	0.5
68.99802	0.3
69.03423	1.5
69.07061	1.1
69.94804	1.1
69.95217	0.5
70.06591	4.0
71.01340	0.3
71.04976	0.7
71.08584	0.3
71.95285	0.3
72.04500	0.6
72.08163	1.5
73.02912	0.7
73.06541	0.3
74.97630	0.6
75.04477	1.6
78.03439	1.3
79.05492	1.4
80.05012	0.8
81.03396	1.4
81.07035	0.7
82.02945	6.2
83.04997	0.7
83.06133	0.3
83.08616	0.4
84.04506	0.5
84.08141	1.0
84.96028	0.5
85.02888	1.4
86.09708	1.9
88.07624	0.4
91.05468	0.7
93.03428	0.4
93.07037	1.0
94.02888	0.4
94.06578	0.4
95.04957	0.8
95.08592	0.4
96.04504	0.4
97.02882	1.2
97.06529	0.5
97.10161	0.3
98.06069	0.5
98.97586	3.3
99.04438	0.5
105.07026	0.5
107.04964	1.9
107.08626	0.4
108.04459	0.6
109.02859	1.0
109.06441	0.3
109.07661	0.4
110.03654	0.8
110.05993	0.4
110.07159	1.2
110.97547	0.5
111.04427	0.8
112.03974	0.3
112.07598	2.6
113.07895	0.6
114.05540	0.5
116.07069	0.4
116.98609	2.7
119.00217	0.3
119.01854	0.8
120.04472	0.7
121.02810	0.5
121.06516	0.7
121.10093	0.3
122.02406	0.6
122.03545	0.4
122.08423	0.4
123.04385	0.4
125.02357	0.8
125.05998	3.1
125.06932	0.5
126.05449	0.3
127.03870	0.6
128.06158	0.4
128.98586	1.3
129.07040	0.5
130.08649	1.0
131.00089	0.3
131.01871	0.6
131.99640	0.4
133.02861	0.4
134.99664	2.3
135.03113	0.5
135.04420	1.3
136.01660	0.3
136.02899	0.6
136.03938	11.0
137.02873	0.5
137.06000	0.6
140.03416	5.2
141.06892	0.5
142.05014	1.8
142.06017	0.4
142.07762	0.6
143.08540	0.6
144.06628	0.4
145.01743	0.4
146.99648	1.4
148.97360	1.0
149.01210	0.6
149.05963	1.7
150.00711	0.8
150.03110	0.5
151.03899	3.8
151.04996	0.6
152.07062	0.5
153.00726	0.5
153.04337	0.3
153.05484	1.4
153.10201	1.8
154.04973	0.8
155.04652	1.0
155.08400	0.5
155.99706	0.3
157.06470	0.4
157.10101	0.6
158.06540	1.2
158.99640	0.7
159.06746	1.4
161.01285	0.7
161.03058	0.3
161.04573	0.3
162.99135	0.4
163.03984	0.5
164.03468	0.6
165.00716	0.5
165.04353	0.3
165.05511	1.4
165.06874	0.7
167.07022	1.8
167.08324	0.4
168.01772	0.4
173.01195	0.4
174.00777	1.0
174.04340	0.6
177.00684	0.7
177.05450	1.1
177.07806	1.4
178.07439	0.5
180.09360	0.5
181.06152	1.0
182.04491	47.4
183.04785	0.5
185.13219	0.6
186.04361	1.0
188.07623	0.5
189.00533	0.6
189.02026	0.4
189.04396	0.4
189.07877	1.3
190.03786	0.4
190.98579	0.4
195.01617	0.3
195.06554	1.0
195.11678	0.9
196.05960	0.5
198.10338	0.4
204.05470	1.1
208.99614	0.4
213.08801	16.6
213.12402	3.1
214.07101	100.0
215.07417	1.8
217.00037	0.4
226.72614	0.3
231.08911	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	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	4.6
55.01857	1.3
55.05497	1.7
56.96543	1.2
61.02922	8.1
65.03932	8.7
66.95238	0.8
67.05487	2.5
69.03410	1.4
70.06579	2.7
70.88788	0.8
70.89149	2.0
71.01315	0.9
72.08140	3.1
77.03926	1.1
79.05486	22.1
81.03391	1.7
81.07037	1.6
86.09705	2.5
88.07608	1.1
89.03896	1.4
91.05492	4.5
93.03403	6.1
93.07021	1.3
94.04187	1.2
95.04954	6.0
95.08608	1.4
97.06532	0.8
99.04444	0.9
103.05474	1.1
105.03397	1.7
105.04523	0.9
105.07030	2.4
107.04949	27.3
107.08591	1.1
108.02098	3.2
109.02884	1.4
109.06510	1.2
110.03656	24.5
110.07145	0.8
111.04440	15.4
117.03420	1.7
119.04931	1.3
121.06492	10.8
122.03650	7.0
123.04448	1.2
123.50014	0.8
124.05211	0.8
125.05982	56.4
126.06340	1.2
127.03867	0.8
128.06180	1.8
129.07001	3.2
131.08524	0.7
133.02844	11.1
134.03629	1.1
135.04405	25.9
137.05975	5.8
141.05446	5.3
141.07010	1.5
142.07777	2.4
143.06880	1.0
143.08582	5.1
148.97336	1.1
149.05977	20.7
149.07114	1.4
150.03099	10.8
151.03900	100.0
151.05014	9.9
152.04277	1.6
153.05447	13.6
155.08542	2.1
156.09381	1.5
157.06554	1.5
157.10089	4.4
158.33235	0.7
159.11752	0.9
162.03134	2.5
163.03891	7.1
165.05487	40.7
165.06960	4.4
167.03401	1.2
167.07057	18.9
167.08578	2.1
168.09209	1.0
169.10120	1.7
170.10849	1.4
171.08064	2.4
171.11708	1.3
177.05453	17.9
180.09305	4.3
185.09644	1.7
185.13200	4.8
195.06506	10.9
195.11707	6.7
198.10413	1.4
213.05466	2.0
213.07585	7.1
213.09441	1.2
213.12790	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	213.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	18.4
56.96571	67.6
57.03425	33.3
57.31748	13.6
61.02898	17.6
65.88962	14.7
69.03433	38.7
69.63912	100.0
73.02921	81.4
81.03400	22.2
85.02901	59.1
86.03688	14.9
87.04478	27.7
97.02890	21.9
98.97577	37.0
101.00867	38.8
110.97583	17.2
116.98627	27.6
119.01912	50.2
121.01468	13.6
127.03912	16.5
128.98596	22.5
131.01869	37.0
143.01889	17.2
144.02582	18.4
145.03415	34.1
146.99734	20.7
147.03926	17.5
155.01842	14.6
161.01166	15.2
161.02979	28.8
163.02640	14.9
163.04469	16.9
169.04451	17.9
173.03021	39.0
184.04935	17.9
196.04808	75.6
203.03951	17.2
213.07568	50.2
221.05148	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	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
55.01852	2.5
55.05495	2.7
56.96563	42.8
57.03430	5.2
60.95842	0.7
61.01133	0.7
61.02922	3.9
65.03918	1.4
67.05484	1.0
69.03423	8.8
70.06576	4.2
70.97180	0.8
70.97504	1.2
70.98098	1.5
71.01347	0.7
71.04977	2.5
71.95242	1.9
72.08155	1.0
73.02915	8.0
79.05489	1.7
81.03403	3.6
83.04984	1.4
83.31078	0.6
84.08129	2.7
84.96024	3.3
85.02901	10.6
87.04457	1.2
88.99168	1.2
90.01517	0.8
91.05473	6.8
93.03371	1.6
94.06520	0.9
95.04945	2.0
96.08158	0.7
96.61081	0.6
97.02351	1.0
97.02886	8.8
97.22222	0.6
98.01360	0.6
98.06067	1.3
98.97575	20.3
99.04458	1.6
100.02475	0.8
101.00858	3.3
103.02416	1.5
104.01235	1.7
106.02818	1.1
106.06527	1.7
107.04948	1.2
109.02866	3.1
110.01262	2.3
110.97543	3.1
111.04427	2.3
112.07613	8.2
112.99110	4.2
113.00847	0.9
115.02439	0.8
115.03975	1.1
116.00229	1.0
116.98618	16.5
118.01075	0.8
118.03475	1.0
119.01880	11.8
119.04932	6.5
120.01960	0.9
120.08086	2.3
121.01637	1.1
121.03477	0.8
121.06467	1.5
122.03660	1.2
123.06821	0.8
124.07561	2.5
124.99107	1.1
125.05926	2.2
127.00674	1.4
127.03914	2.3
128.02280	3.4
128.98634	5.9
131.00194	6.7
131.01883	4.7
131.03583	1.2
131.99661	0.8
133.01674	0.8
133.03505	1.4
134.01169	0.8
134.04984	1.2
134.06007	21.9
134.99654	10.5
135.05055	1.1
136.07584	3.5
137.02904	3.5
137.05969	10.4
137.08353	1.2
138.05405	1.6
138.10208	0.9
140.02301	0.9
142.03499	1.7
142.96547	0.8
143.00134	3.1
143.01863	4.4
145.01680	2.0
145.03419	2.4
146.99643	6.5
147.01349	1.0
147.03224	1.5
147.04387	11.4
147.09290	0.7
148.04845	1.0
148.07535	4.7
149.01198	5.0
149.02898	1.7
149.04933	0.7
149.05969	4.8
151.04430	0.8
151.07503	0.8
152.02234	0.9
152.07059	31.1
152.08290	1.6
153.00682	1.7
153.05458	5.0
153.07504	0.7
154.03720	1.3
155.04579	1.5
157.01624	1.1
157.03444	1.1
158.01201	0.7
158.06638	5.6
158.38454	0.8
158.99629	3.8
160.02856	1.7
160.97549	1.3
161.01205	10.9
161.02925	9.8
161.05951	0.8
162.01775	0.9
162.03070	1.1
163.02721	1.2
164.05196	1.1
165.00726	1.4
166.08618	36.0
166.09688	1.6
170.06540	1.2
170.99648	3.1
171.01106	0.8
173.02904	1.6
174.99286	0.9
176.07430	6.4
177.00636	4.4
179.02254	2.4
179.07011	2.7
182.03337	1.2
184.04611	1.3
185.02911	1.4
186.05969	0.8
188.07663	5.5
188.97049	1.8
189.00710	11.9
189.02319	1.5
189.04323	1.6
189.05975	1.1
191.02382	1.1
191.03955	1.1
193.00258	1.2
193.03783	2.0
194.08118	100.0
195.04964	1.4
195.06642	1.4
195.08496	2.7
201.00679	1.3
203.03976	1.0
205.00159	0.8
205.03650	1.1
206.98199	2.7
207.01753	14.8
207.03569	1.7
207.05264	1.8
212.02271	1.3
212.07562	6.3
212.09193	37.3
212.16399	0.8
213.09445	1.0
213.12543	1.4
219.01749	2.2
219.05008	1.6
221.05099	1.5
225.02811	2.5
230.03320	1.0
230.08708	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	212.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36258	2.5
53.03961	3.1
55.01869	10.0
55.05528	2.3
56.96563	47.1
57.03443	31.0
59.04984	4.2
59.59282	2.3
61.02930	35.4
64.55630	2.7
65.79115	2.6
69.03427	29.3
70.01015	13.5
70.06556	6.1
71.01356	4.5
71.05002	7.4
71.95248	4.3
73.02919	44.1
75.04453	3.2
77.00881	4.4
81.03431	18.6
83.04984	4.2
84.96033	8.4
85.02905	54.8
86.03262	3.2
87.04494	12.2
90.01555	3.2
91.05469	3.3
97.02898	22.2
97.96833	2.9
98.03228	3.3
98.20835	4.0
98.97581	54.6
99.04467	9.9
100.05273	3.7
101.00866	13.0
102.02296	3.5
104.01328	3.4
108.51607	2.9
109.02877	8.1
110.01299	9.9
110.97561	16.7
111.02932	6.1
113.00871	4.0
113.02399	3.2
114.06814	4.3
115.02457	6.5
115.03235	2.7
116.98621	32.8
117.04023	3.0
118.01074	3.1
119.01877	41.1
120.02096	3.1
122.01281	3.3
123.02927	2.6
124.08715	4.7
127.03927	9.3
128.02328	18.1
128.98631	23.1
131.00240	5.3
131.01904	29.4
131.51906	2.9
133.03465	16.7
134.02303	3.4
134.06021	5.1
134.99681	16.3
135.03053	8.5
135.05072	4.3
137.01865	3.3
137.02858	8.1
138.03398	4.5
140.02330	6.5
140.04973	12.8
140.98599	3.4
142.96515	3.1
143.00111	6.3
143.01888	9.9
144.02528	2.7
145.03470	17.2
146.02275	7.5
146.99640	17.7
147.03046	2.8
149.02956	9.2
151.04424	3.4
152.01108	100.0
152.02203	5.0
152.07115	14.8
155.01830	5.8
155.02934	4.0
157.03418	5.9
158.99695	9.8
159.05040	4.9
161.01588	4.8
161.02863	24.1
163.02768	3.5
165.00748	5.3
166.08630	14.5
166.09799	5.4
170.99713	7.0
171.05000	7.4
172.04723	3.1
173.01352	3.3
173.02977	10.3
175.04576	5.3
177.00745	11.2
177.06128	4.0
182.03329	5.7
184.04587	2.7
185.02983	8.0
187.00929	2.9
188.97104	4.6
189.00735	19.6
189.02397	4.8
189.06171	4.5
190.01111	2.9
191.02298	4.3
191.03966	11.3
192.06461	5.1
194.03307	10.3
194.08124	47.3
201.00697	5.4
201.06073	3.1
203.03987	4.4
206.98161	6.0
207.01784	4.9
212.03975	3.2
212.09027	27.5
213.00951	3.1
213.06026	2.7
215.04059	3.5
217.05640	3.5
219.01791	9.7
219.07137	4.7
221.05052	6.2
231.03815	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.42944	1.3
55.01870	11.3
55.05510	13.0
55.06295	1.5
56.65727	1.4
57.03427	3.9
57.07059	3.2
58.77678	1.3
59.04994	1.3
59.38606	1.2
59.66392	1.2
60.14966	1.2
60.22981	1.2
65.03928	7.5
67.05502	17.1
69.03433	13.4
69.06730	2.0
69.07059	10.3
69.10020	1.2
71.04984	7.2
71.65133	2.7
78.04694	7.5
79.05487	16.7
81.03399	4.1
81.07058	22.5
83.04977	13.3
83.08620	6.0
85.02927	1.5
85.06539	4.7
91.05476	88.9
92.05771	1.8
93.07031	24.7
95.04960	17.1
95.08609	25.3
97.02943	1.8
97.06520	3.3
99.08092	8.8
101.06007	2.0
103.05460	17.6
105.03390	12.2
105.04502	1.5
105.07027	23.4
106.04174	4.2
107.04948	29.5
107.08583	14.5
108.05771	3.1
109.06517	25.4
109.10146	35.0
111.04447	2.2
111.08089	3.9
112.32580	1.4
113.05975	1.3
113.09609	1.9
115.05462	2.9
118.04190	3.5
119.04939	82.7
119.08559	12.3
121.06500	37.7
121.10122	8.1
122.03709	1.5
122.07312	1.4
123.04429	16.0
123.08060	16.8
123.11700	12.3
124.05193	5.4
125.05968	1.8
125.09624	18.0
129.07030	1.8
133.06500	15.0
133.10104	15.0
134.03656	12.4
135.04465	2.2
135.08026	2.5
135.11681	20.9
136.05174	1.8
137.05977	13.3
137.09619	9.2
139.11188	4.2
141.48462	1.4
142.07742	2.4
147.04391	12.8
147.11595	3.0
149.05980	47.9
149.13275	2.9
150.06474	1.4
151.03932	4.7
151.07542	39.6
151.11128	7.4
151.14850	5.2
152.04642	2.7
152.07933	1.4
153.05481	10.3
153.06990	4.7
155.08554	6.2
157.10127	2.3
161.05997	8.6
163.14836	2.7
165.05530	2.5
165.06947	2.1
165.09142	1.7
165.16389	4.0
166.06270	6.3
167.07037	100.0
168.07689	6.6
168.09326	7.2
169.10136	2.3
175.14847	14.6
179.07037	17.7
181.06398	1.5
181.06926	1.9
181.08618	23.6
181.10135	4.1
183.08151	2.0
183.11685	7.5
193.08589	2.3
193.10121	7.7
193.12154	2.7
193.15852	28.5
196.07274	2.2
196.08894	1.9
211.07544	7.0
211.09612	12.5
211.11420	11.2
211.14967	2.2
211.16885	15.0
212.11928	1.3
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	4.4
55.01875	4.9
55.05506	24.0
56.96567	2.8
57.03421	12.3
57.07066	8.6
58.94128	3.4
59.04985	9.1
67.05505	42.9
69.03415	11.9
69.07063	37.8
69.47166	27.8
71.04998	19.7
77.03890	4.2
79.05489	21.7
81.03393	6.5
81.07052	52.3
83.04969	13.9
83.08591	13.3
85.06540	6.9
87.68707	2.5
91.05475	28.6
93.07043	46.7
95.04970	19.6
95.08604	74.3
96.24274	3.1
97.06532	14.0
97.10166	9.2
99.04452	15.2
99.08080	7.8
103.05447	3.2
105.07018	27.0
107.07867	4.3
107.08582	55.9
109.06511	33.0
109.10153	90.5
111.04478	3.7
111.08060	10.3
113.05977	5.2
113.09612	5.2
117.06954	4.7
119.04919	12.1
119.08572	58.3
121.06481	9.2
121.10167	25.4
123.04396	12.2
123.08049	12.9
123.11697	19.0
125.02353	4.6
125.05995	3.4
125.09644	11.2
133.10129	100.0
134.03601	2.9
135.11697	61.3
137.05975	31.3
137.09613	38.7
137.13274	4.0
141.09138	2.9
142.07773	4.3
147.04395	7.4
147.08014	3.8
147.11656	8.0
149.05925	8.5
149.13246	11.8
151.03879	8.0
151.07507	13.0
151.11189	8.2
151.14822	6.7
153.01826	11.2
153.05446	4.2
153.06932	8.7
153.12761	14.0
155.08524	10.5
155.10667	10.9
157.10085	4.0
163.97682	3.8
165.05496	4.8
165.06978	6.4
165.09152	4.1
165.16365	9.2
167.07031	29.5
167.08437	6.6
168.05585	3.2
168.09312	15.4
169.10098	3.5
175.14822	73.7
178.07719	4.4
179.07013	9.2
181.06482	3.3
181.08597	5.8
181.10088	10.8
183.08043	5.5
183.11684	17.2
187.22089	2.9
193.10130	10.2
193.12152	3.3
193.15894	59.5
196.08824	4.1
211.07565	14.1
211.09393	5.6
211.11292	21.8
211.14967	4.3
211.16888	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03944	3.7
55.01871	2.7
55.05508	14.7
57.03421	2.9
57.07069	4.3
59.04995	2.3
60.06392	1.1
65.03934	2.8
66.63551	1.2
67.05161	2.3
67.05502	30.3
69.03423	9.8
69.07059	15.1
69.52907	10.6
71.04987	4.7
71.08627	2.0
78.45188	1.1
79.05495	14.1
81.03413	3.6
81.07050	30.9
83.04975	13.1
83.08605	9.0
85.06512	5.5
91.05472	15.8
93.07034	14.3
94.04199	1.9
95.04958	8.5
95.08603	39.6
97.06538	2.9
97.10162	3.1
99.08112	3.3
103.05479	7.0
104.06275	1.1
105.07030	21.4
106.07352	1.4
107.04955	4.1
107.08586	25.6
108.05769	1.9
109.06509	16.4
109.10149	100.0
111.08101	3.3
111.11784	1.2
113.09669	1.6
115.05430	2.1
117.07030	1.6
118.04155	4.6
119.04952	5.4
119.08571	23.2
121.06518	4.1
121.10125	11.3
122.03662	2.8
122.07289	1.7
123.04425	11.6
123.08070	17.2
123.11695	9.9
125.09635	2.9
127.11198	1.2
133.06477	11.6
133.09207	2.1
133.10127	21.9
135.04428	2.2
135.08025	2.7
135.11688	60.7
137.05972	59.1
137.07043	2.0
137.09616	16.9
138.06271	2.1
139.11198	2.3
147.04408	6.3
147.11717	3.8
149.06004	5.1
149.09665	1.3
149.13208	6.2
150.06789	4.7
151.03880	1.7
151.07565	9.5
151.11180	9.5
151.14836	10.9
153.05482	1.5
153.06978	3.3
153.12709	2.7
155.08549	4.5
161.05931	2.1
162.24998	1.2
165.09174	6.2
165.16379	1.9
167.07063	22.8
167.08406	1.5
168.07695	1.3
168.09341	4.9
169.10150	1.8
175.14825	18.2
178.06262	1.5
178.07735	1.4
179.07030	19.7
179.08522	1.7
181.08571	1.9
181.10123	1.7
183.11755	4.7
193.08606	17.7
193.10181	2.6
193.12326	1.7
193.15848	15.4
196.08723	1.8
211.07521	2.7
211.09601	5.4
211.11456	8.7
211.14915	1.5
211.16910	3.5
216.47427	1.3
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	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01860	7.3
55.05508	26.3
57.03426	7.9
57.07075	5.1
59.05005	4.3
66.04720	2.4
67.05504	52.7
69.03416	12.5
69.07056	23.4
71.04980	9.9
71.64396	4.9
75.04462	2.5
78.04684	2.8
79.05487	28.4
80.12144	2.9
81.03420	11.7
81.07056	44.5
83.04977	12.7
83.08611	18.8
85.06548	9.7
91.05479	34.6
93.07052	21.1
95.04962	16.7
95.08606	85.9
97.06524	8.1
97.10170	3.2
99.04457	13.8
99.08088	4.7
103.05482	15.3
105.07013	46.2
107.04974	12.8
107.08596	26.4
108.05741	5.2
109.02833	3.8
109.06516	14.5
109.10152	100.0
111.08067	6.9
112.61461	2.8
113.09637	3.8
115.05471	4.1
118.04169	20.3
119.04939	17.5
119.08584	33.6
120.05680	3.7
121.06480	11.1
121.10137	14.1
122.03632	8.7
122.07225	3.6
123.04412	22.2
123.08057	20.1
123.11706	13.4
124.05220	3.4
125.05936	4.5
125.09636	10.6
131.08498	3.6
133.06487	38.8
133.10156	24.7
135.04419	7.4
135.08054	6.9
135.11682	62.7
137.05963	86.2
137.09595	19.5
139.11185	4.2
142.07771	3.8
143.08623	2.5
146.03683	6.5
147.04430	12.1
147.11722	6.3
149.05981	11.3
149.13254	10.9
150.06757	20.1
151.07533	23.8
151.11185	8.3
151.14810	11.0
153.05478	7.8
153.06984	10.5
153.12737	4.0
155.08575	11.6
161.05969	4.4
163.14853	3.2
165.05463	2.7
165.06982	4.3
165.09079	19.3
167.07039	47.0
167.08440	5.3
168.07794	13.6
168.09338	11.7
169.10146	4.9
175.14803	30.6
178.06319	3.3
178.07764	4.3
179.07030	36.2
181.06517	6.9
181.08591	4.8
181.10115	7.7
183.07999	3.5
183.11661	20.7
193.08609	48.5
193.10178	13.4
193.12157	5.4
193.15868	29.0
196.08815	10.7
211.07497	13.4
211.09563	12.9
211.11287	31.0
211.14995	4.1
211.16945	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03945	2.5
55.01866	1.6
55.05508	14.7
57.03418	2.1
57.07069	3.6
59.04985	2.9
65.03935	1.1
67.05504	29.8
68.07600	0.8
69.03424	9.4
69.07067	17.3
70.07409	0.8
70.19910	5.1
71.04998	5.3
73.72393	0.8
77.71670	0.8
79.05502	7.8
81.03394	4.1
81.07057	32.9
83.04973	15.2
83.08624	10.7
85.06543	5.4
91.05479	9.9
93.07038	14.1
95.04961	9.1
95.08604	41.0
95.12188	0.9
97.06520	2.8
97.10175	2.6
98.20798	1.1
99.08075	3.7
103.05471	2.2
105.07035	13.3
107.04950	2.3
107.08596	25.9
109.06515	14.5
109.10155	100.0
110.10527	1.4
110.14781	0.8
110.95375	1.0
111.08054	4.6
111.11723	1.0
113.09657	2.4
115.05482	1.8
117.07009	1.2
118.04228	1.0
119.04932	3.2
119.08585	26.4
121.06512	1.9
121.10156	11.2
122.03657	2.1
122.07285	1.0
122.62371	0.8
123.04446	12.3
123.08071	16.2
123.11720	10.7
125.09622	2.1
127.11160	1.2
133.06485	4.2
133.10127	22.3
135.08102	1.1
135.11693	67.9
137.05972	20.2
137.09618	18.9
139.11191	1.9
146.36102	0.9
147.04356	3.1
147.11662	1.8
149.05952	3.8
149.13264	5.4
150.06706	2.0
151.03870	1.1
151.07568	8.6
151.11186	11.4
151.14799	11.3
153.12766	3.0
157.10020	1.3
161.05986	1.4
163.32515	0.9
165.09087	2.1
165.16345	2.3
167.07047	11.6
168.09361	1.4
175.14839	18.3
179.07039	22.4
180.07355	1.1
181.08568	1.7
183.11678	1.5
193.08624	5.1
193.10182	1.2
193.12267	2.5
193.15874	18.5
211.07726	1.4
211.09525	4.8
211.11389	1.4
211.16893	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	211.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23669	0.4
51.37357	0.4
53.03926	0.8
55.05501	2.3
62.19243	0.4
64.01781	0.4
65.03960	0.5
66.55346	0.4
67.05503	1.6
69.07066	1.8
71.64871	0.7
79.05484	1.4
81.03395	0.6
81.07051	3.8
85.35726	0.4
91.05469	4.2
92.22375	0.5
93.07051	1.8
95.04978	1.1
95.08579	0.9
103.05492	0.7
105.07025	6.9
107.50383	0.4
115.05447	1.5
117.07031	1.0
119.08581	4.3
122.03636	0.7
123.04460	0.7
123.08098	0.5
128.06213	2.9
129.06990	3.8
131.08572	3.6
133.10110	0.5
137.05972	10.3
141.06958	6.6
142.07771	3.3
143.08554	7.7
145.10083	1.0
147.04414	1.1
151.07504	0.9
152.06198	1.3
153.06989	7.4
154.07768	7.7
155.08546	59.1
156.09357	4.9
157.10120	4.2
165.07054	1.9
166.07739	3.0
167.07103	0.7
167.08556	10.9
168.09340	11.2
169.10120	53.2
170.10846	4.5
173.33751	0.4
178.07809	1.5
179.07021	1.7
179.08450	0.6
181.06531	1.8
181.10115	24.1
182.10904	8.9
183.08182	0.7
183.11682	23.8
184.12035	1.3
193.10138	3.6
194.10771	0.6
195.11656	1.6
196.08751	2.4
196.12462	27.4
197.13002	0.7
209.13278	0.8
211.07587	2.0
211.11537	12.5
211.14803	100.0
212.15231	3.4
215.82985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1116
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
52.19756	0.5
53.03932	1.6
55.01854	1.3
55.05499	1.9
56.96549	0.6
57.03430	0.9
62.86206	0.6
65.03905	1.1
67.05501	2.7
69.03421	6.2
69.07055	1.7
70.06580	1.3
71.04974	1.6
71.64548	0.9
77.03905	0.7
78.04682	1.9
79.05475	2.4
81.03413	1.2
81.07051	3.4
81.53898	0.5
83.04955	1.6
91.05470	5.8
93.07044	2.8
95.04958	5.1
95.08591	2.6
97.02905	1.2
97.06520	0.7
99.04448	1.7
103.05459	1.4
105.07030	4.8
106.04155	1.2
107.04922	1.8
107.08590	1.5
109.02854	1.0
109.06490	1.9
109.10119	1.7
111.04358	0.6
111.08061	1.0
113.97945	0.6
115.05429	1.6
119.04931	1.7
119.08566	2.0
121.06525	4.0
121.10101	0.8
122.03636	0.9
123.04424	8.2
123.08041	1.3
124.05190	2.5
125.02313	1.2
125.09588	1.5
128.06209	4.5
129.06969	3.4
131.04880	0.6
133.02869	0.8
133.06453	1.9
133.10124	1.2
134.03662	0.8
135.08009	0.6
135.11707	0.6
137.05968	6.2
137.09581	0.7
140.04678	0.7
141.06970	7.0
142.07750	8.8
142.08772	0.8
143.08559	6.6
145.06482	0.8
147.04417	1.2
147.11702	1.0
149.05974	5.4
151.03893	2.8
151.07504	1.8
151.11110	0.8
152.04616	1.1
152.06166	2.1
153.01823	1.6
153.06975	25.5
154.07747	3.4
155.08539	31.2
156.08946	0.9
157.10097	1.6
161.05986	1.1
164.43633	0.7
165.05556	1.2
165.06961	3.4
166.04997	0.7
166.06325	1.4
166.07767	5.0
167.07024	67.1
167.08537	14.1
168.05655	1.4
168.09332	45.7
169.06453	1.4
169.10089	5.5
169.12256	0.9
171.08026	1.6
178.07764	13.6
179.07019	2.1
179.08499	1.1
181.06471	29.3
181.08521	3.8
181.09998	10.9
182.07115	1.7
182.10841	1.1
183.06569	0.7
183.08136	3.2
183.11682	39.2
184.11987	1.1
193.05061	1.1
193.08635	1.8
193.10117	40.5
194.10553	0.9
195.08061	9.7
196.08823	53.7
197.09209	1.0
211.07652	4.7
211.11163	100.0
212.11461	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1116
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
51.22211	0.6
53.03931	2.6
55.01861	3.1
55.05510	10.0
57.03438	19.5
62.97926	0.7
67.05503	8.5
69.03431	3.6
69.07060	2.9
69.41836	7.3
71.04979	1.7
79.05488	10.4
81.03413	22.9
81.07058	11.9
83.04977	11.9
83.08620	7.8
85.06556	1.3
85.41066	0.7
88.62350	0.7
91.04971	1.4
91.05482	16.0
93.07044	5.2
94.04189	0.9
95.04969	10.5
95.08598	5.7
97.02904	0.9
97.06538	2.2
97.10171	2.5
103.05444	2.1
103.71687	0.8
105.07027	13.3
107.04942	3.4
107.08590	2.2
109.06529	3.8
109.10156	2.2
111.08056	2.3
115.05479	1.9
117.07053	0.9
118.04156	1.1
119.04936	4.9
119.08591	5.8
121.06503	2.7
121.10151	1.7
122.03643	2.7
123.04427	13.0
123.08072	2.2
128.06197	3.7
129.06995	8.2
129.83803	0.8
131.08560	2.2
133.06483	4.8
133.10139	1.3
137.05975	61.2
138.06287	0.9
141.06984	7.9
142.07773	15.2
143.08575	7.2
147.04419	6.6
147.08051	1.1
147.11678	2.1
149.05968	2.6
149.09647	1.8
150.06772	1.4
151.03883	1.7
151.07535	9.1
152.06168	2.0
153.05588	2.1
153.06990	24.7
154.06465	1.1
154.07756	5.2
155.08549	34.6
156.08775	0.7
157.10126	23.5
161.05913	1.5
163.03932	1.3
165.06927	5.0
165.09154	2.1
165.12605	0.8
166.07784	8.3
167.07042	10.6
167.08554	11.7
168.09335	44.3
169.06479	1.4
169.10117	11.3
175.11208	3.0
178.06300	1.2
178.07753	10.4
178.09221	1.0
179.07030	27.0
179.08325	1.2
181.06493	11.0
181.08546	2.0
181.10103	21.0
182.07178	1.1
182.10809	1.1
183.11691	54.8
184.12045	1.2
192.09285	0.8
192.78621	0.8
193.08624	2.9
193.10146	34.7
193.12219	9.5
194.10564	1.2
194.12491	0.8
195.08083	3.4
196.08833	17.8
211.09625	5.0
211.11203	100.0
211.12973	3.5
212.11584	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	4.7
55.01861	6.3
55.05509	39.0
57.03423	9.2
57.07055	2.8
63.46110	1.5
67.05502	29.6
69.03426	12.3
69.07066	9.1
71.04987	4.9
71.63448	2.8
75.65614	1.5
79.05491	28.3
81.03415	86.2
81.07057	36.7
83.04982	42.0
83.08614	27.2
83.23368	1.5
85.02924	1.6
85.06545	4.3
91.05482	35.6
93.07040	15.8
95.04964	32.1
95.08607	15.2
97.02886	4.4
97.06516	4.7
97.10185	7.1
105.07021	26.8
107.04961	5.7
107.08573	8.6
109.06514	10.9
109.10163	4.1
111.04454	2.7
111.08083	8.7
115.05459	4.0
119.04929	6.5
119.08568	18.5
121.06496	1.5
121.10130	7.1
122.03661	7.8
123.04401	6.0
123.08074	3.7
123.11700	1.9
125.02322	2.1
125.09623	2.7
128.06186	2.7
129.07018	14.3
131.08565	12.3
133.06483	4.6
133.10104	9.7
135.11713	1.4
137.05972	100.0
137.09569	2.0
138.06320	1.7
141.07001	5.3
142.07745	6.4
143.08511	2.7
147.04436	7.2
147.08049	3.1
147.11664	14.2
149.09586	7.2
151.07523	5.7
152.06223	1.7
153.05640	2.3
153.06973	10.2
154.07767	2.6
154.40779	1.9
155.08531	22.3
157.10110	20.6
165.05498	2.2
165.06877	3.4
165.12758	2.0
166.07787	4.5
167.07127	3.3
167.08571	6.8
168.09352	20.2
169.10130	10.8
175.11183	12.7
178.07759	6.9
179.07037	12.0
179.93033	1.8
181.06487	5.0
181.10115	11.8
182.10883	2.8
183.08160	3.2
183.11699	29.2
193.04919	1.7
193.10136	16.1
193.12242	27.5
195.08093	4.0
196.08833	6.9
211.07549	9.8
211.09608	3.9
211.11346	34.5
211.13257	10.8
211.15096	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.5
53.03943	3.0
55.01864	1.2
55.05499	1.3
56.05017	0.5
67.05496	2.0
69.03417	1.2
69.07057	0.9
69.58027	3.0
69.58437	1.0
71.04983	1.2
78.04710	3.7
78.27544	0.4
79.05069	0.5
79.05492	2.7
80.45593	0.5
80.65461	0.4
81.03394	1.1
81.07043	2.0
83.04987	1.0
83.08593	0.6
91.05473	12.2
93.07040	10.0
93.07609	0.8
93.74741	0.4
95.04960	8.7
95.08600	1.7
97.02869	0.6
97.06520	0.7
98.97573	1.3
99.04485	0.8
99.08088	1.5
103.05460	10.1
105.03403	0.5
105.04469	1.0
105.07006	3.7
106.04175	3.0
107.04928	1.3
107.08561	0.5
109.02876	0.6
109.06509	0.9
109.10151	2.3
111.98811	0.5
115.05461	1.0
116.98644	0.7
119.04949	1.2
119.08575	1.1
121.06497	20.1
123.04411	9.6
124.05202	2.9
128.70285	0.5
131.06116	1.1
133.06464	3.0
133.10127	1.3
134.03603	0.9
135.11694	0.9
137.05986	2.4
137.09593	2.1
142.07758	0.7
149.05969	32.3
151.03886	3.4
152.04723	2.6
153.06975	1.3
155.08521	1.0
155.10672	1.2
157.10147	0.7
161.05991	4.0
165.05438	1.5
165.06847	0.8
166.06261	7.3
166.07660	1.0
167.07031	100.0
168.07407	1.4
168.09312	1.3
175.14903	1.0
178.07828	0.8
179.06999	0.8
180.07805	2.4
181.08588	27.3
181.10013	1.4
182.08936	0.6
183.08098	0.4
183.11714	1.8
193.08577	1.3
193.10236	0.9
193.15884	1.9
211.05785	0.6
211.07533	1.9
211.09602	3.3
211.11458	2.4
211.16991	0.8
227.75977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1116
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01871	1.2
55.05516	0.7
55.07315	0.4
55.89639	0.4
69.03426	1.0
79.05511	0.4
83.60720	0.4
91.05466	1.7
105.07017	3.1
112.86658	0.5
115.05424	2.3
128.06206	4.2
129.07011	4.7
137.05951	1.4
141.06972	11.2
142.07771	15.5
143.08565	9.1
145.06435	0.8
152.06181	3.3
153.06985	35.1
154.07782	6.5
155.08542	43.5
156.08955	1.0
157.06567	0.7
157.10112	15.5
158.10443	0.5
165.07004	6.7
166.07776	8.8
167.07086	0.6
167.08549	14.6
168.09334	67.7
169.06519	1.3
169.10109	14.8
178.07767	12.9
179.08455	1.1
180.09323	0.5
181.06497	14.4
181.10101	24.6
182.07167	1.1
182.10658	1.2
183.08131	1.9
183.11684	77.2
184.12010	2.9
191.08467	0.5
192.09373	1.2
193.10118	38.7
194.10457	1.2
195.07930	3.1
196.08820	20.5
197.09213	0.8
205.43222	0.4
209.09579	0.6
211.11162	100.0
212.11514	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	211.1117
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
53.03924	0.7
55.01858	2.1
55.05501	1.4
65.03925	0.7
67.05496	1.4
69.03438	1.2
69.28487	0.5
71.02232	1.4
71.91926	0.5
78.46722	0.5
79.05510	1.3
81.03388	0.8
81.07020	1.0
83.04971	0.8
83.08617	0.9
91.05479	5.1
93.03395	0.6
93.07067	0.8
95.04951	1.3
95.08601	1.3
103.05464	0.9
105.07036	7.5
109.06538	1.4
115.05424	2.9
117.07029	0.9
119.04941	2.3
119.08612	0.7
122.03645	1.8
123.04403	3.3
124.38454	0.5
128.06215	4.0
129.07004	4.9
133.06555	1.0
137.05975	28.1
141.06984	12.6
142.07784	15.9
142.08817	0.4
143.08566	7.8
147.04396	2.8
149.05965	0.8
151.03876	0.7
151.07539	3.8
152.06201	3.6
153.06995	24.7
154.07793	6.5
155.08549	46.0
156.08945	0.9
157.10129	15.8
163.03902	0.5
165.06996	10.9
166.07791	15.7
167.07053	2.5
167.08533	15.0
168.09340	47.3
169.06470	2.4
169.10109	13.7
171.08000	0.8
178.07777	22.2
179.07021	8.3
179.08426	1.3
180.09251	0.6
181.06509	17.6
181.10110	54.4
182.07246	2.2
182.10564	1.7
183.08209	3.6
183.11691	60.5
184.12032	1.4
192.09325	1.6
193.10124	65.8
194.10442	2.2
195.08015	4.1
196.08832	19.0
211.11179	100.0
212.11559	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03947	0.9
55.01877	0.5
57.03400	0.6
63.43644	0.5
65.03937	1.0
65.58041	0.4
66.94858	0.4
67.05488	1.3
69.98865	2.5
70.49757	0.4
72.35892	0.5
78.04688	0.8
79.05489	3.8
79.33403	0.5
79.79411	0.4
81.07044	0.8
91.05482	7.9
93.07030	1.3
94.04171	1.6
95.04986	3.8
103.05480	2.6
105.07024	6.1
107.04962	1.1
108.05728	0.8
109.06492	2.8
110.03652	1.3
111.04430	0.7
115.05480	1.2
118.04133	1.5
119.04945	6.7
121.02900	0.8
121.06519	2.4
122.03632	5.3
123.04426	19.2
123.08088	1.9
133.06476	4.2
134.07199	0.5
135.04449	0.5
136.05179	0.8
137.05974	100.0
138.06300	1.6
139.03885	0.6
146.15968	0.5
147.04404	8.4
147.05501	0.5
149.05977	4.0
150.06718	1.5
151.03915	1.9
151.07544	16.2
153.05502	2.7
154.06259	1.0
161.05975	1.3
163.03908	1.0
165.09102	2.1
167.07034	7.8
167.08400	0.6
168.07797	0.7
178.06297	1.1
179.07037	46.3
180.07596	1.3
181.08621	2.1
183.11667	0.6
188.86096	0.5
193.08638	3.9
211.07655	0.4
211.09619	10.1
211.11440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
55.05496	0.6
57.03414	0.6
65.03928	1.0
65.26032	0.5
67.05483	1.2
71.08511	1.6
75.54785	0.5
79.05479	2.7
79.09504	0.5
81.03413	1.3
81.07033	1.5
83.04959	0.5
83.08595	0.6
91.05471	6.9
93.07021	1.2
94.04174	1.6
95.04962	2.8
95.08606	0.6
103.05471	2.0
105.07024	7.4
107.04950	1.4
109.06518	3.4
111.04423	0.6
115.05447	1.4
118.04156	1.0
119.04951	5.2
119.08605	0.8
121.06506	1.7
122.03643	6.2
123.04425	10.6
123.08064	1.7
125.05978	0.8
128.06201	1.3
129.07001	2.0
133.06483	3.0
135.04413	0.5
137.05972	100.0
138.06316	1.3
141.06958	4.0
142.07787	3.9
143.08566	2.0
147.04407	8.0
149.05963	1.7
150.06757	0.6
151.03882	1.0
151.07539	10.5
152.06248	0.7
153.05486	2.5
153.06987	7.2
154.06262	0.8
154.07739	1.7
155.08557	11.5
157.10123	5.0
161.06009	1.0
163.03873	0.8
165.05600	1.0
165.06984	2.4
165.09125	0.7
166.06441	0.9
166.07745	4.2
167.07057	4.7
167.08560	4.8
168.09346	11.5
169.10191	3.1
178.06322	1.0
178.07741	6.5
179.07028	26.1
180.07607	0.6
181.06523	4.3
181.08574	1.2
181.10092	12.2
181.11638	0.9
182.07262	0.9
183.08067	0.6
183.11685	15.0
189.96501	0.6
192.09326	0.8
192.69547	0.6
193.08556	2.5
193.10127	16.4
194.10510	0.6
195.08049	0.8
196.08815	5.0
204.77266	0.5
211.09569	6.6
211.11206	26.1
212.11647	0.6
233.83810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03928	0.8
55.01857	1.1
57.03425	0.9
62.43944	0.4
63.55726	0.5
65.03946	0.8
67.05497	2.0
69.03429	0.4
70.01400	1.1
70.01826	1.5
77.03915	0.7
79.05492	3.5
81.03391	0.9
81.07026	1.2
84.42783	0.5
91.05477	8.3
93.07040	1.2
94.04180	2.0
95.04976	2.7
95.08603	0.8
103.05473	2.8
105.07025	7.1
106.04176	0.6
107.04938	1.5
108.05733	0.8
109.06526	2.7
110.03648	1.3
115.05438	1.0
118.04139	1.1
119.04943	7.2
121.06525	2.9
122.03645	5.6
123.04424	22.2
123.08064	2.3
124.05223	0.4
125.05988	0.9
133.06465	4.3
135.04401	1.5
135.07945	0.6
136.05170	0.9
136.23462	0.5
137.05968	100.0
138.06322	1.9
139.03819	0.5
147.04404	8.9
149.05969	3.9
150.06757	1.8
151.03934	1.3
151.07538	18.0
153.05444	2.6
153.06665	0.4
154.06235	1.5
155.08595	0.8
158.94072	0.5
161.05960	1.0
161.07146	1.0
163.03873	1.2
165.09111	1.4
167.07034	10.3
168.07819	1.3
178.06244	1.4
179.07028	50.5
180.07471	1.1
181.08621	2.0
183.11699	0.8
193.08624	4.5
211.07574	0.7
211.09616	13.4
211.11183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69028	0.4
55.01846	0.4
55.54597	0.4
59.45197	0.4
62.52493	0.4
71.01839	0.7
71.02187	0.7
79.05487	0.7
80.77716	0.4
81.07059	0.9
91.05478	4.0
94.04198	1.5
95.04943	0.7
105.04451	0.4
105.07025	3.1
107.04945	0.7
109.06520	2.4
115.05457	0.5
118.04100	0.4
119.04946	3.7
121.06538	0.6
122.03646	5.3
126.01594	0.4
133.06516	1.8
135.04437	0.4
137.05977	100.0
138.06305	2.0
139.03850	0.7
147.04427	7.1
151.07558	4.1
151.80823	0.3
153.05466	1.7
153.06958	0.8
154.06241	1.1
155.08543	0.9
161.05948	0.9
163.03876	2.0
168.08009	0.4
168.09352	1.4
168.21301	0.4
178.06281	1.0
179.07039	5.3
181.10022	0.5
183.11673	0.9
193.10226	0.8
199.93588	0.4
211.09663	6.1
211.11264	1.1
221.13374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01861	0.4
55.05490	0.3
57.03421	0.6
57.07042	0.2
65.03917	0.4
67.05492	0.2
70.34431	0.8
79.05483	1.3
81.03384	0.4
81.07056	1.3
81.79543	0.2
91.05470	4.1
93.07021	0.4
94.04154	1.5
95.04960	0.9
95.08636	0.3
98.20750	0.2
103.05448	0.4
105.03394	0.3
105.07027	3.2
107.04986	0.9
108.05724	0.2
109.06512	2.5
109.10191	0.2
111.04433	0.2
115.05431	0.7
119.04939	5.5
121.06538	1.3
122.03633	5.8
123.04409	0.7
123.08052	0.7
125.05930	0.2
129.06969	0.5
133.06488	2.1
133.10164	0.3
135.04346	0.2
135.08041	0.2
137.05968	100.0
138.06310	1.6
139.03934	0.4
141.06982	0.8
142.07741	0.9
143.08543	0.4
147.03214	0.4
147.04393	6.9
149.05978	0.5
151.06407	0.3
151.07552	4.2
153.05469	2.5
153.06975	1.7
154.06236	1.1
154.07700	0.2
155.08534	3.0
157.10133	0.9
161.05952	0.6
163.03923	1.4
165.05605	0.3
165.06987	0.5
165.09091	0.3
166.07797	0.7
167.07239	0.2
167.08574	0.7
168.07993	0.2
168.09329	3.2
169.10110	1.2
178.06235	1.2
178.07785	0.8
179.07039	5.5
181.06572	0.9
181.08606	0.4
181.10028	1.9
183.08147	0.3
183.11685	4.1
193.08528	0.5
193.10144	2.2
195.07991	0.2
196.07376	0.2
196.08861	1.1
196.12476	0.3
211.07526	1.1
211.09610	5.7
211.11234	4.6
211.14651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89316	0.3
53.03939	0.5
55.01868	0.6
55.05496	0.6
56.96547	0.5
57.03426	0.7
65.03936	0.7
67.05496	0.5
69.03420	0.4
69.60265	0.5
69.60672	1.9
79.05493	1.8
81.03410	0.7
81.07050	1.2
83.04967	0.8
83.08621	0.5
91.05479	5.2
93.07040	0.6
94.04185	1.6
95.04957	1.4
95.08630	0.4
98.21455	0.6
103.05438	0.6
105.07036	3.1
107.04951	1.1
108.05752	0.5
108.45590	0.3
109.06506	2.8
109.14511	0.2
111.04422	0.3
115.05450	0.9
118.48961	0.3
119.04936	4.4
119.08547	0.4
121.06522	1.0
122.03645	5.6
123.04416	1.2
123.08089	0.7
125.05988	0.4
128.06235	0.9
129.06978	1.1
131.08559	0.3
133.06474	1.5
133.10124	0.4
137.05971	100.0
138.06323	1.6
139.03889	0.4
141.07002	2.3
142.07796	2.4
143.08534	1.6
147.04405	7.3
149.06004	0.7
151.07547	4.9
152.06203	0.6
153.05486	2.4
153.06987	5.6
154.06306	1.4
154.07758	1.1
155.03374	0.5
155.08546	8.6
155.09837	0.4
157.10124	2.8
161.05907	0.8
163.03914	1.1
165.05634	0.5
165.07021	1.6
166.07755	1.2
167.07066	1.1
167.08574	2.3
168.07910	0.6
168.09349	10.1
169.06491	0.6
169.10114	2.4
170.05728	1.5
178.06253	1.1
178.07820	2.1
179.07028	7.4
179.08549	0.5
181.06505	2.3
181.08630	0.5
181.10118	4.8
183.08104	0.9
183.11690	13.0
188.51726	0.3
193.08624	0.5
193.10135	6.9
193.12016	0.5
195.08121	0.7
196.08839	3.2
196.12383	0.3
211.07556	2.7
211.09578	4.5
211.11211	17.0
212.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01867	0.7
55.05488	1.2
56.96544	0.4
56.98431	0.3
57.03415	0.8
65.03925	0.7
67.05492	1.2
69.03418	0.4
69.07042	0.4
70.94842	1.1
71.04975	1.1
79.05487	1.9
81.03423	1.5
81.07054	1.8
83.04960	0.8
83.08628	0.5
85.87643	0.3
91.05477	5.8
93.07056	0.8
94.04187	2.0
95.04960	1.8
95.08596	0.7
97.06535	0.5
99.04459	2.0
103.05462	0.5
105.03365	0.3
105.07034	4.3
107.04942	0.8
109.06506	3.3
109.07617	0.4
115.05435	0.8
119.04936	4.6
119.08606	0.5
121.05750	0.3
121.06504	1.3
122.03649	5.0
123.04427	1.0
123.08039	0.5
128.06229	0.9
129.06998	1.1
131.08578	0.5
133.06491	1.9
133.10176	0.4
137.05971	100.0
138.06329	1.2
139.03899	0.6
141.06993	2.8
142.07784	2.9
143.04990	0.4
143.07568	0.4
143.08557	1.9
147.04407	7.1
149.05997	0.4
151.07539	4.5
152.06189	0.6
153.05479	2.4
153.06992	7.1
154.06285	1.1
154.07768	1.8
155.08542	10.8
157.10117	3.3
161.06012	0.7
163.03911	1.3
165.05556	0.6
165.06947	1.6
166.07785	2.2
167.07071	0.9
167.08488	3.8
168.09338	12.7
169.06482	0.5
169.10094	3.8
173.93567	0.3
178.06244	1.0
178.07797	3.0
179.07040	7.3
179.08400	0.3
181.06480	3.2
181.10103	6.3
182.07274	0.5
183.08098	1.2
183.11685	16.8
188.28096	0.3
193.08618	0.6
193.10129	8.5
195.08009	1.0
196.08824	3.5
196.12566	0.3
209.22583	0.3
211.07591	2.7
211.09563	4.5
211.11203	20.3
211.14709	1.0
212.11546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
57.03435	0.5
57.07067	0.4
65.03931	0.7
66.30394	0.4
67.05489	0.8
69.07070	0.5
70.87898	0.8
70.88285	1.0
74.02688	0.3
76.06835	0.3
79.05495	1.3
81.03414	1.0
81.07043	1.4
83.04956	0.6
83.57741	0.4
91.05486	4.8
93.07040	0.8
94.04187	1.1
94.87148	0.3
95.04961	1.6
95.08604	0.5
98.98453	0.9
103.05474	0.5
105.07040	3.2
107.04927	1.0
109.06518	2.9
109.10113	0.4
115.05465	0.4
119.04945	4.9
121.06495	1.0
122.03645	5.2
123.04444	0.9
123.08057	0.7
127.04018	0.4
129.07016	0.5
131.67799	0.4
133.06485	2.1
137.05977	100.0
138.06331	1.3
139.03899	0.5
141.07030	0.8
142.07776	0.9
143.08559	0.6
147.04408	8.5
151.07542	5.5
153.05489	2.9
153.06989	2.1
154.06212	1.0
154.07527	0.4
155.03377	0.6
155.08530	3.6
157.10130	1.1
161.06018	0.8
163.03966	1.0
165.06926	0.5
166.07787	0.6
167.07109	0.5
167.08467	0.8
168.09343	3.9
169.10133	1.3
170.05756	1.3
178.06252	1.2
178.07678	0.8
179.07027	7.4
179.08565	0.6
181.06569	0.6
181.08633	0.8
181.10127	2.1
183.06531	0.6
183.08005	0.5
183.11694	5.0
193.08641	0.8
193.10159	2.8
196.08885	1.3
211.07588	0.8
211.09618	6.0
211.11240	5.6
211.14877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01875	0.4
55.05528	0.4
56.96566	2.1
59.03508	0.3
60.04528	0.5
62.06093	0.6
65.03944	0.4
67.05506	0.5
68.05019	0.6
69.03429	0.6
69.07081	0.4
70.01784	1.6
70.06593	0.3
71.04989	0.3
72.04510	1.3
72.08158	0.4
72.93789	0.3
73.02933	0.3
74.06102	0.4
79.05480	2.4
81.03416	0.6
81.07067	0.5
83.04987	0.5
84.08131	0.4
84.95943	0.3
85.02912	0.5
85.06529	0.3
87.04473	0.3
91.05478	5.7
93.07046	1.2
95.04967	0.7
97.02893	0.9
98.97611	0.5
99.29770	0.2
101.04803	0.3
103.05469	6.3
105.07026	7.8
107.04945	2.7
109.02829	0.4
109.06543	0.3
110.06028	0.5
112.28004	0.3
113.05984	0.4
115.05465	0.4
116.98606	0.7
117.02033	0.3
117.05746	1.7
117.07005	2.9
118.06525	4.5
119.01845	0.3
119.04951	0.7
119.07329	7.2
119.08595	1.0
120.08112	8.7
121.06489	0.6
124.03966	0.3
125.02361	0.3
127.03858	0.3
128.02345	0.4
128.06235	1.3
129.07004	5.9
130.06531	0.8
131.04942	1.7
131.07263	1.9
134.09631	0.3
134.99677	0.5
135.04408	0.2
137.02783	0.4
137.05962	1.4
144.08069	1.2
145.06474	0.4
146.06075	0.3
146.09633	7.5
147.04413	1.6
149.05969	0.7
151.07584	0.5
161.01234	0.8
161.05984	0.6
163.03917	0.6
164.10709	100.0
165.11105	2.2
167.07028	1.8
167.08260	0.3
178.05972	0.4
178.08659	0.3
179.06996	0.3
181.08632	0.3
181.98686	0.3
192.06520	0.4
192.10190	1.0
193.08623	0.5
193.10899	0.3
205.03725	0.4
205.98718	0.4
210.11232	13.0
210.15251	0.4
211.11613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03923	4.0
54.00140	1.7
55.01866	14.3
55.05506	20.1
57.03425	5.2
57.07056	7.0
59.04994	4.4
65.03930	4.6
67.05497	19.1
68.99785	3.0
69.03429	14.3
69.07059	23.5
70.07663	4.2
70.08075	6.4
71.04993	13.7
78.04713	4.1
79.05491	18.0
80.75004	1.8
81.03393	6.0
81.07047	33.1
83.04975	27.5
83.08164	1.9
83.08562	9.0
85.02891	3.7
85.06538	10.4
88.33727	1.9
89.03918	4.0
91.05478	25.6
93.03391	8.5
93.07046	38.4
95.04961	22.0
95.08602	26.1
97.06510	17.7
97.10148	8.1
98.21420	1.9
99.04427	5.1
99.08083	24.8
103.05479	10.7
105.07021	16.5
106.04169	26.0
107.04939	5.2
107.08589	69.9
109.02888	2.5
109.06517	22.0
109.10149	20.7
111.04407	4.3
111.08067	11.3
113.06022	2.4
113.09594	2.2
117.03372	2.2
119.04916	2.5
119.08563	12.2
121.06499	34.8
121.10130	37.0
123.04525	2.0
123.08067	29.9
123.11698	7.6
125.05965	10.9
125.09627	40.8
129.06944	2.2
131.04922	5.1
131.08553	13.8
133.10117	23.9
134.03596	6.4
135.04387	1.8
135.08044	20.7
135.11661	12.3
137.05975	2.1
137.09612	10.5
139.07530	11.1
139.11156	4.9
145.02888	2.1
145.10118	4.9
147.11676	12.1
148.05157	5.8
149.05983	31.5
149.09610	100.0
149.13251	28.2
151.07541	2.1
151.11162	53.0
153.05396	4.1
153.09109	21.1
158.10957	2.7
163.07545	2.9
163.11203	4.1
163.14804	15.3
165.12782	4.1
167.07014	4.3
167.14272	3.8
173.13239	21.2
177.05449	20.2
181.08531	3.9
181.09979	2.1
191.06996	3.2
191.14299	43.0
193.04747	1.8
194.02142	2.5
194.05699	2.2
203.12447	2.0
209.04378	2.9
209.07959	13.9
209.15352	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	2.7
55.01864	5.4
55.05498	5.7
57.03428	2.4
57.07079	8.4
65.03929	2.2
67.05499	7.5
69.03426	18.7
69.07076	6.1
69.66062	6.7
69.66470	3.8
71.04969	1.8
75.04473	1.8
78.04697	1.8
79.05495	7.8
81.07057	12.7
83.04977	14.1
83.08636	2.5
85.02942	1.3
85.06531	7.6
89.03932	2.6
90.17487	1.2
91.05476	14.7
93.03391	5.4
93.07050	11.2
95.04990	8.2
95.08615	10.6
97.06530	3.4
97.10167	1.3
97.82314	1.2
103.05466	5.8
103.32499	1.2
105.07019	8.4
106.04167	9.9
107.04985	2.5
107.08592	30.6
109.06515	12.6
109.10155	5.7
111.08082	10.6
119.04950	2.9
119.08553	5.5
121.06499	18.6
121.10135	15.3
123.04404	1.8
123.08069	6.8
123.11673	5.4
125.05962	4.1
125.09628	62.2
131.04927	3.6
131.08536	7.1
133.10127	8.2
134.03589	3.0
135.08049	17.2
135.11664	6.7
137.05983	1.9
137.13298	1.8
139.07585	1.5
143.08568	2.0
145.10118	5.9
147.11702	6.2
148.05177	3.6
149.05988	18.6
149.09570	6.5
149.13274	11.0
150.10402	1.5
151.11162	5.1
153.05449	2.7
153.09093	13.8
158.10904	3.7
161.09610	1.7
163.07524	2.2
163.11182	5.6
163.14812	5.7
165.07008	1.6
165.12772	21.7
166.06294	1.6
166.07681	2.2
167.07112	2.9
168.58113	1.2
173.13258	19.6
176.11971	2.0
177.05484	14.5
177.06914	2.1
181.08601	3.6
191.07039	5.5
191.14302	100.0
192.14656	2.3
209.04382	2.0
209.07826	6.7
209.09874	2.6
209.15364	98.1
210.15608	1.7
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
50.99897	1.1
53.03934	1.5
55.01851	3.1
55.05511	34.3
57.03418	3.0
57.07076	5.8
59.04994	3.5
65.03931	3.0
67.05242	1.0
67.05507	12.4
68.99786	2.7
69.03428	29.9
69.07066	17.9
69.77979	2.9
69.78389	4.3
71.04977	5.0
72.86355	1.1
79.05488	8.6
81.03413	1.3
81.07057	18.0
83.04977	33.1
83.08620	15.0
85.02903	1.3
85.06535	9.1
90.17136	1.2
91.05468	11.7
93.03411	1.7
93.07047	20.5
95.04967	12.8
95.08610	18.4
97.06547	7.2
97.10161	20.9
98.15257	1.0
98.20745	1.7
99.04469	1.6
99.08104	14.1
101.16531	1.1
103.05430	2.8
105.04553	1.3
105.07018	10.9
106.04167	3.5
107.08597	42.1
109.06509	15.0
109.10168	15.1
111.04455	2.1
111.08084	13.2
113.06043	7.8
119.08572	4.3
121.06495	7.5
121.10146	31.5
123.08043	5.4
123.11708	6.9
125.06001	7.9
125.09630	100.0
125.13258	1.6
131.08542	5.8
133.10149	12.5
135.08055	13.7
135.11705	4.0
137.09613	4.6
139.07541	9.4
139.11168	2.8
145.10114	3.5
147.11697	3.3
149.06026	5.5
149.09621	62.5
149.13271	15.7
151.11179	41.5
153.09099	19.7
154.09842	3.3
155.10580	1.3
158.10934	2.1
163.07521	1.6
163.14847	12.5
166.07750	1.3
167.10648	1.9
167.14307	8.6
173.13237	11.3
177.05431	3.2
191.07112	1.1
191.14313	28.8
194.05795	1.5
209.04330	1.1
209.08076	5.0
209.15367	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.12720	1.2
53.03940	2.9
55.01857	4.8
55.05513	7.5
57.03411	1.4
57.07073	9.0
65.03929	1.8
66.42436	1.2
67.05493	11.1
69.03429	26.3
69.07054	7.5
70.59114	4.7
71.04980	2.7
78.04696	1.7
79.05491	10.0
81.07053	16.7
83.04983	20.0
83.08610	4.6
85.06547	9.4
91.05477	11.6
93.03382	2.8
93.07035	17.2
95.04971	11.1
95.08604	12.4
96.07874	1.2
97.06521	6.9
99.04453	3.5
99.08078	2.2
103.05446	4.5
105.07030	9.6
106.04160	8.3
107.04954	2.6
107.08588	33.9
109.06514	28.8
109.10149	5.6
111.08047	12.2
111.11669	1.7
119.08559	5.5
121.06525	11.7
121.09306	2.2
121.10139	26.0
123.08052	8.2
123.11681	5.6
125.05943	2.8
125.09628	65.4
131.04898	2.7
131.08574	7.3
133.10127	12.1
135.08041	18.1
135.11670	7.2
139.07501	1.9
143.08572	1.6
144.09311	1.8
145.10110	6.2
147.11638	5.2
148.05180	2.4
149.05974	11.7
149.09607	14.0
149.13251	12.0
150.10405	2.0
151.11166	6.1
153.09122	18.0
158.10912	4.5
163.07573	1.4
163.11165	5.5
163.14803	6.1
165.07062	2.1
165.12735	13.2
166.07732	1.4
167.10690	18.3
173.13264	21.4
176.11909	2.0
177.05470	7.1
181.05040	2.1
181.06496	2.6
181.08598	2.3
181.60509	1.3
191.07002	2.0
191.14307	100.0
192.14642	2.1
194.02193	2.0
209.04379	2.6
209.06319	1.7
209.08081	4.0
209.09637	4.6
209.15356	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
50.81043	0.7
53.03933	3.0
54.82317	0.7
55.01632	0.7
55.01869	9.0
55.05487	3.1
56.96568	0.7
57.07069	1.1
65.03928	4.5
67.05494	3.5
67.26658	0.7
69.03419	1.6
69.07059	1.4
70.78017	0.7
71.04958	1.2
71.64681	1.3
75.04456	2.9
76.23972	0.9
77.03893	0.7
78.04689	3.8
79.05472	7.6
81.03404	2.9
81.07057	5.2
83.04973	3.0
83.08602	1.3
84.08150	0.9
85.02886	2.1
89.03874	2.1
91.05476	23.6
93.03397	6.0
93.07033	9.4
95.04957	7.9
95.08610	2.5
97.02874	0.8
97.06512	2.7
98.97562	2.2
99.04424	0.9
103.05457	9.8
103.90559	0.9
105.03384	1.4
105.04505	1.4
105.07032	6.0
106.04168	16.4
107.04948	16.9
107.08603	6.1
108.05737	1.8
109.02843	0.9
109.06493	5.8
109.10137	2.1
110.03657	1.5
111.04421	2.0
111.08064	1.0
115.05431	2.8
116.06205	0.9
116.98569	1.6
117.03343	1.5
117.07003	3.9
117.95954	0.7
119.04937	13.4
119.08582	2.1
120.05717	1.4
121.06499	32.3
121.10135	2.3
122.07336	1.1
123.04427	4.4
123.08064	4.9
124.05229	1.2
125.05956	7.7
125.09603	1.3
130.04137	0.9
131.04935	6.3
131.08548	0.9
132.05698	0.8
133.02835	6.5
133.06508	5.6
133.10107	1.1
134.03644	3.9
134.07237	2.2
134.99588	1.5
135.04367	2.9
135.08041	16.5
135.11659	2.6
135.97028	0.9
136.05186	6.5
136.08760	0.8
137.05949	8.8
138.06770	3.6
139.07518	3.0
145.02856	1.8
145.06471	2.7
145.10086	1.9
146.07272	5.1
147.04402	19.4
147.08043	11.8
148.05199	11.2
148.08928	1.2
149.05971	30.1
149.09615	6.9
149.13229	1.7
151.03934	1.8
151.07532	19.4
152.08255	2.6
153.04298	1.3
153.05469	17.5
153.09070	6.6
154.06248	3.8
159.04431	0.9
161.05974	4.3
162.06767	11.5
163.03883	1.0
163.07544	25.7
163.11136	1.6
163.14848	1.3
164.08295	0.9
165.05484	13.6
165.06876	1.3
165.09184	1.2
165.12791	1.3
166.06262	19.4
166.07681	1.5
167.06982	2.0
167.10663	1.0
168.07816	26.7
169.08505	1.3
173.13196	1.4
175.07463	1.3
176.04755	0.8
176.08286	0.8
177.05475	11.8
177.09093	13.9
177.10594	1.0
178.09882	56.3
179.07034	25.8
179.08449	0.6
179.10547	3.4
181.08589	77.7
182.08916	1.7
191.07013	3.2
191.10698	0.9
191.14246	2.5
193.08611	1.1
194.09380	62.7
195.09715	1.8
209.04433	3.0
209.08247	8.9
209.09921	3.4
209.11703	100.0
209.15286	6.9
210.12065	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	8.3
54.48130	1.1
54.57440	1.7
55.01870	19.3
55.05258	1.2
55.05508	15.9
57.03421	4.9
57.07050	3.7
59.04988	4.0
61.02910	1.4
65.03936	8.1
67.05505	14.4
68.99776	1.9
69.03417	8.4
69.07059	14.3
69.17935	1.3
69.59408	1.1
71.04987	20.1
71.22749	2.0
71.23076	1.7
75.04475	6.1
77.03906	2.4
78.04698	10.7
78.34799	1.2
79.05484	18.1
81.03399	4.3
81.07054	30.1
83.01325	2.3
83.04979	18.2
83.08626	11.0
83.92829	1.3
85.02921	6.8
85.06541	5.1
89.03880	5.2
89.06027	2.0
91.04891	1.7
91.05473	54.5
93.03407	17.1
93.07037	45.4
95.04961	57.1
95.08603	22.1
96.05734	1.4
97.05902	1.4
97.06531	21.5
97.10134	1.5
98.97554	1.3
99.04451	16.0
99.08070	4.3
101.05994	1.2
103.05463	23.9
105.03378	2.7
105.04510	3.6
105.07021	25.8
106.04170	50.3
106.92289	1.2
107.04975	9.3
107.08585	49.7
108.05753	1.8
109.06509	39.5
109.10146	21.6
111.04428	4.4
111.08062	10.8
116.39334	1.2
117.03377	5.7
117.07000	3.2
118.04140	1.5
119.04935	3.7
119.05892	1.1
119.08575	10.3
120.05733	1.7
121.06500	74.0
121.10130	35.0
122.06818	1.9
123.04420	4.7
123.08081	13.4
123.11703	11.7
124.05163	1.9
125.05982	16.0
125.09626	9.1
129.07037	1.4
131.00127	1.7
131.04924	9.8
131.08553	23.0
133.02841	2.8
133.10126	100.0
134.03629	11.2
135.04393	4.3
135.08054	15.2
135.11691	16.3
137.05939	8.5
137.09583	3.4
138.06775	1.8
139.07516	6.0
139.11139	4.0
143.08537	4.1
145.02817	6.2
145.10126	12.3
147.04405	4.2
147.11700	9.9
148.05185	9.3
149.05972	80.2
149.09610	15.3
149.13254	24.5
150.06358	2.0
151.03883	1.7
151.07535	2.6
151.11176	40.6
152.08189	1.3
153.05431	6.5
153.09096	25.2
158.10922	6.3
159.04420	4.5
161.13200	1.8
162.03049	2.0
163.07547	6.1
163.11148	3.6
163.14822	17.2
165.05466	2.6
165.12726	3.3
166.06238	3.7
166.07712	3.0
167.07079	6.2
167.14339	8.2
171.11702	1.3
173.13251	52.4
176.04791	1.8
177.05463	51.7
179.06963	1.6
181.04936	1.5
181.08632	14.3
181.10085	2.0
191.06973	9.5
191.10684	2.4
191.14313	43.5
194.05696	4.0
194.07329	1.7
199.01125	1.1
209.04459	4.4
209.08046	21.4
209.09703	3.8
209.11482	2.2
209.15359	57.6
210.15729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
55.01852	3.1
55.05477	1.0
59.04955	0.8
59.90830	1.1
65.03918	2.4
67.05482	2.0
67.13187	1.0
67.90037	0.9
70.99574	2.3
70.99934	1.1
79.05460	3.4
81.07019	1.7
89.03853	1.0
91.05473	16.3
93.03402	2.1
93.07006	4.6
95.04944	2.7
95.08583	1.9
103.05461	3.9
105.03413	1.0
105.06991	5.4
106.04170	1.9
107.04948	16.2
107.08550	2.1
108.05723	1.4
109.06490	5.1
111.04424	1.1
115.05431	2.9
115.35178	1.0
117.07030	5.8
119.04934	13.1
119.08561	3.3
121.06493	19.4
123.04408	4.8
123.08076	4.7
125.05968	2.6
131.04893	4.5
133.02832	6.9
133.06514	5.6
134.07257	4.4
135.04478	1.6
135.08063	16.4
136.05196	6.8
137.05977	4.7
138.06717	2.1
139.07489	2.8
144.05663	1.0
145.06410	3.3
145.07491	1.8
146.07246	5.0
147.04401	18.1
147.08055	13.5
148.05171	7.6
148.08815	1.2
149.02161	1.1
149.05963	11.1
149.09604	4.5
151.03896	2.9
151.07532	23.1
153.05469	13.5
153.09105	2.0
154.06201	3.6
161.05933	4.0
162.06755	15.2
163.07526	24.5
164.08316	2.2
165.05511	14.4
165.06963	2.9
165.09128	1.2
165.12686	1.1
166.06267	19.3
166.07738	3.3
167.06993	2.4
168.07809	30.3
169.08507	1.1
177.05420	3.1
177.09106	17.4
178.09880	59.4
179.07027	26.1
179.10509	2.4
181.08588	78.8
181.10030	3.4
182.08925	1.7
191.07013	1.0
194.09377	64.3
195.09715	2.5
209.05980	2.0
209.09651	7.6
209.11696	100.0
209.15225	4.4
210.12030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
50.87488	0.8
53.03935	1.3
54.00043	0.9
55.01875	6.6
55.05501	2.0
57.03426	1.2
57.07051	1.8
65.03924	2.5
67.05476	2.8
68.99808	1.5
69.03405	1.6
69.07037	1.3
70.57509	0.9
71.62521	1.8
72.41271	0.8
79.05489	5.1
81.07018	3.2
83.04960	3.2
91.05476	18.2
93.03372	1.7
93.07037	6.3
95.04967	4.7
95.08571	3.1
97.06509	1.1
103.05479	8.0
105.03367	1.6
105.07011	4.9
106.04149	2.0
107.04310	1.1
107.04961	16.0
107.08605	5.7
108.05738	1.6
109.02916	1.7
109.06513	6.5
109.07637	2.4
109.10133	1.4
110.03645	2.2
111.04430	3.7
115.05438	3.2
116.06219	1.5
116.09940	1.1
117.07012	5.2
119.04958	12.9
119.08564	2.1
121.06500	21.0
121.10111	2.9
123.04375	3.6
123.08066	5.6
125.05991	5.5
125.09570	1.0
131.04936	4.8
132.05627	1.1
133.02838	7.5
133.06471	4.5
133.10037	1.5
134.07225	2.7
135.04401	2.6
135.08064	17.1
136.05212	6.1
137.05981	5.3
138.06691	2.8
139.07509	2.0
145.02838	1.2
145.06421	2.5
146.07268	5.4
147.04420	17.5
147.08040	12.8
148.05196	8.9
148.08791	1.4
149.05972	12.3
149.09601	7.0
149.13234	1.9
151.03876	2.0
151.07553	24.9
151.11075	1.5
152.06145	1.5
152.08231	1.6
153.05475	19.5
153.06816	2.0
153.09018	1.3
154.06201	3.5
160.75549	0.9
161.05977	5.6
162.06769	12.2
163.03838	1.1
163.07549	27.0
163.11223	1.3
164.08228	2.3
165.05428	13.3
165.06906	4.2
165.09123	1.7
166.06212	20.7
166.07722	5.1
167.06989	2.9
168.06432	2.0
168.07817	32.2
169.08490	1.2
173.13164	1.2
176.08328	1.4
177.05440	7.0
177.09103	13.5
178.09891	58.9
179.05493	1.6
179.06985	31.7
179.08531	5.6
179.10417	3.3
181.08606	78.1
181.10101	7.5
191.07036	2.1
191.14220	1.6
194.09377	66.1
194.10898	3.0
195.09718	1.5
209.04295	2.4
209.06021	2.0
209.07954	3.4
209.09618	11.5
209.11667	100.0
209.13245	5.3
209.15273	7.9
210.11919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.01323	1.3
53.03931	2.2
55.01872	14.0
55.05487	5.6
57.03416	3.1
57.07052	3.8
65.03920	2.4
67.05470	4.6
69.03404	3.1
69.07050	4.5
71.04967	2.5
71.63046	2.5
79.05496	8.5
81.03400	2.1
81.07092	6.9
81.07442	1.5
83.04977	5.8
83.08598	2.6
89.68606	1.1
91.05476	19.2
93.03377	1.3
93.07041	10.7
95.04960	6.8
95.08604	5.9
97.02892	1.6
97.06522	2.9
103.05471	10.2
104.06213	1.2
105.07037	6.5
106.04150	2.6
107.04954	16.7
107.08578	8.0
109.02847	2.6
109.06513	11.7
109.10105	3.5
110.03615	1.5
111.04409	4.9
111.08041	3.8
115.05417	4.1
117.03365	2.0
117.06981	5.6
117.95929	1.4
118.04088	1.3
118.96767	1.4
119.04958	10.4
119.05738	2.1
119.08530	5.2
121.05677	1.6
121.06503	27.7
121.10093	4.5
123.04387	3.5
123.08032	4.0
123.11703	2.0
125.05933	3.4
125.09592	4.6
126.42355	1.2
131.04951	8.1
131.08519	2.4
133.02824	6.3
133.06439	5.5
133.10071	2.0
134.03644	2.3
134.07240	2.2
135.04401	2.8
135.08051	17.5
135.11642	2.7
136.05193	7.1
137.06021	6.3
138.06747	3.2
139.03856	1.4
139.07500	3.3
145.02835	2.7
145.06430	2.8
146.07210	5.4
147.04411	22.1
147.07143	1.3
147.08061	14.7
148.05179	9.2
149.05969	17.0
149.09650	7.3
149.13258	1.7
151.03860	3.7
151.07549	22.5
151.11131	2.4
153.05475	16.4
153.06789	1.8
153.09050	4.3
154.06184	2.4
161.05951	6.6
162.06775	12.9
163.03854	1.9
163.07538	31.4
164.04601	1.6
164.08286	1.9
165.05418	17.0
165.06949	8.0
165.12709	1.5
166.06201	22.9
166.07722	6.7
167.06927	2.6
167.08525	2.2
167.10762	1.8
167.14330	1.7
168.07829	30.9
173.13145	1.5
175.07443	1.5
177.05486	12.7
177.07899	1.3
177.09113	17.5
178.09897	54.6
179.06979	29.9
179.08524	8.8
179.10448	3.6
181.08601	77.7
181.10104	7.7
191.06976	4.5
191.10501	2.3
191.14227	3.7
194.09378	60.7
194.10941	6.2
209.04352	6.4
209.07982	4.4
209.09599	13.5
209.11656	100.0
209.13316	9.0
209.15298	22.9
209.18808	3.3
210.11874	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Morinin G
Peak:m/z	Relative Intensity
51.23524	0.5
52.39120	0.5
52.53287	0.5
53.03949	0.7
55.01867	1.7
57.27554	0.5
65.03933	1.3
67.05505	0.7
70.80260	1.8
75.04480	1.0
77.03937	0.5
78.04726	0.7
79.05489	1.9
81.07066	0.7
81.34747	0.5
81.76696	0.4
83.04919	0.6
83.17068	0.5
91.05476	14.4
93.03405	2.1
93.07050	2.1
95.04970	1.8
95.08597	0.8
98.73994	0.5
101.26456	0.5
103.05472	4.5
104.06241	1.1
105.03397	1.0
105.07027	5.0
107.04953	15.6
107.05697	0.8
108.05740	1.5
109.06527	3.0
110.03649	0.9
111.04433	2.0
115.05446	3.1
116.06224	1.5
117.07011	5.1
119.04940	12.0
119.08606	1.9
121.06502	21.3
121.10165	0.5
123.04440	2.7
123.08071	3.6
124.05180	0.7
125.05970	3.1
131.04910	4.4
132.05667	1.0
133.02852	6.3
133.06479	5.1
134.07291	3.3
135.04425	1.9
135.07089	1.1
135.08060	14.6
135.09105	0.8
136.05191	7.1
136.08820	1.2
137.05978	6.4
138.06773	3.3
139.03870	0.7
139.07536	2.2
144.05736	0.7
145.06493	3.4
145.07491	0.6
146.07277	5.1
147.04404	19.2
147.08034	13.7
148.05182	9.0
148.08833	1.6
149.05995	9.8
149.09584	4.6
151.03920	2.3
151.07533	27.3
152.08263	2.0
153.05467	16.5
153.06717	1.0
153.09087	1.1
154.06268	3.3
159.08044	0.7
161.05983	5.2
162.06761	14.6
163.07538	25.8
164.08330	2.5
165.05478	14.4
165.06871	1.1
165.09125	1.1
166.06245	21.4
166.07663	1.2
166.09898	1.4
167.06982	0.5
168.07819	31.9
169.08473	1.5
176.08363	1.3
177.05534	0.6
177.09105	16.7
178.09885	63.0
179.07033	31.0
179.10445	3.0
180.07332	0.9
181.08588	83.9
182.08946	2.0
193.08597	1.2
194.09378	73.8
195.09790	1.5
209.11719	100.0
210.12045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01878	2.4
55.05522	1.1
57.07072	0.7
65.03945	1.6
67.05499	4.6
70.90169	1.6
71.05009	0.7
78.04700	0.6
79.05491	3.4
80.06319	0.5
81.07055	5.1
82.99246	0.6
83.04987	1.2
91.05471	14.6
93.03416	2.1
93.07041	4.2
95.04963	2.5
95.08617	3.8
102.04726	0.6
103.05473	4.4
104.06265	1.0
105.03385	0.9
105.07033	4.4
106.04181	1.0
107.04945	15.4
107.08592	2.0
108.05724	1.7
109.02866	0.9
109.06522	4.6
109.10149	0.8
110.03646	1.6
111.04435	2.4
115.05466	3.0
117.07016	5.4
119.04939	13.1
119.08620	1.4
120.05761	0.9
121.06497	17.5
121.10108	0.8
123.04417	4.3
123.08022	4.1
124.05247	0.6
125.06010	2.5
125.09560	0.7
131.04935	5.3
132.05675	1.4
133.02834	6.0
133.06496	5.2
134.03601	0.6
134.07269	2.5
135.04445	1.8
135.08043	15.7
136.05200	7.0
136.08873	0.7
137.05972	6.5
138.06749	2.4
139.07510	2.2
144.05664	0.9
145.06514	2.7
145.07529	0.6
146.07256	6.3
147.04399	19.7
147.08031	12.9
147.11572	0.5
148.05176	7.9
148.08850	1.6
149.05975	9.5
149.09631	5.0
149.13284	1.2
151.03946	2.7
151.07524	23.1
152.08263	2.4
153.05453	16.6
153.09039	1.0
154.06235	3.5
161.05966	4.8
162.06746	15.7
163.07535	29.0
164.08284	1.6
165.05472	14.7
165.06850	0.8
165.09114	1.4
166.06255	23.7
166.07648	1.3
167.06842	0.6
168.07806	30.6
169.08469	2.2
173.13254	0.8
176.08340	1.1
177.05479	2.1
177.09109	15.5
177.18259	0.5
178.09877	58.6
179.07031	31.8
179.10423	2.9
180.07391	1.0
180.09410	0.5
181.08583	79.0
182.08904	1.9
191.06998	1.0
191.14297	0.9
193.08667	0.9
194.09370	66.5
195.09683	1.1
209.11707	100.0
209.15210	3.2
210.12061	2.6
210.17822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.6
55.01861	16.2
55.05496	7.5
56.20836	2.6
56.96285	4.1
56.96564	72.5
57.03441	16.0
57.03682	3.7
57.07057	3.1
58.99868	6.7
60.95834	2.9
61.02917	19.8
61.69582	2.5
65.03916	4.5
67.05486	8.0
69.03431	22.5
69.07041	5.2
70.06571	6.6
71.01321	2.7
71.04984	14.6
71.50253	6.4
73.02896	6.4
74.93548	2.8
75.04485	5.3
77.00897	6.3
79.05471	8.7
81.03415	100.0
81.07052	6.1
83.04983	4.6
83.73828	2.8
84.96004	3.0
85.02891	21.7
87.04465	6.3
89.03901	3.6
91.02419	2.9
91.05459	11.0
92.41470	2.9
93.01910	2.7
93.07027	7.5
94.55072	3.4
95.01330	6.3
95.04956	13.9
95.08603	5.5
97.02872	6.2
97.06543	3.7
98.97572	14.8
99.04444	9.3
100.02480	36.8
100.99129	3.4
101.00896	3.6
101.02341	3.0
103.02420	4.0
103.05458	4.2
107.04916	4.6
107.08592	8.4
109.02856	51.0
109.06523	6.5
109.10143	3.6
111.04453	4.3
113.02339	12.8
113.05963	5.5
113.29259	2.8
114.03976	3.2
114.06812	3.8
115.00677	3.0
115.02402	5.7
115.03925	3.1
116.98627	6.7
117.02038	5.5
117.03397	5.5
118.03512	36.0
119.01899	22.1
119.04919	5.4
121.03309	3.2
121.06486	9.7
121.10104	6.7
125.09646	2.9
126.02518	3.2
126.98795	3.9
128.98553	4.1
129.03911	4.7
131.01863	11.7
131.02731	3.0
132.01985	2.9
132.05026	3.1
133.03458	6.1
134.02097	4.0
134.99654	6.8
135.04376	11.1
135.08072	4.7
136.07484	2.9
137.02940	7.8
141.04034	3.3
141.05385	9.7
142.02744	3.2
143.00160	5.2
143.89902	2.6
144.98068	3.8
144.99838	24.5
145.03535	7.0
146.99582	5.5
147.04289	3.3
149.05984	6.2
149.13220	3.1
150.99200	3.5
157.03452	11.4
158.03482	5.3
158.99612	7.3
159.05087	5.0
159.06461	3.6
161.01173	5.6
161.02994	4.4
162.99170	4.1
163.00894	13.1
163.02740	3.7
163.03859	19.8
163.07458	3.3
165.00587	3.5
167.06996	3.4
168.01353	16.0
169.03403	4.1
171.05002	4.5
172.99324	15.4
173.02914	7.8
173.06554	3.3
175.04517	5.8
177.02495	4.6
177.05438	10.5
179.02214	3.6
180.14514	2.9
185.01424	4.6
185.02933	23.7
186.03036	13.7
186.99136	6.7
187.00871	7.4
187.02748	4.1
187.04507	8.9
191.00392	16.7
191.01970	3.3
191.04001	4.0
191.14418	5.4
193.00186	3.3
196.00867	22.5
197.02898	3.0
199.04475	5.7
201.02429	2.9
203.04002	6.0
204.04225	4.7
204.07219	3.9
205.00145	5.7
205.01926	4.4
205.05579	7.1
208.99666	4.7
209.04564	9.0
209.07951	3.0
209.09715	5.0
209.15247	14.9
214.01971	15.0
217.05568	3.6
223.01257	4.1
227.04019	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03953	7.0
55.01871	14.5
55.05506	5.3
57.03432	3.1
65.03940	12.7
67.05509	7.4
69.00166	1.2
69.03422	1.5
69.07052	3.7
70.00046	5.1
70.00460	2.6
71.04984	2.0
75.04469	10.0
77.03910	1.6
78.04707	12.8
79.05487	17.3
81.03410	3.3
81.07062	5.7
81.21587	1.2
83.04977	2.2
83.08599	1.5
83.64244	1.4
85.02910	10.3
89.03924	8.5
89.06016	3.1
90.44413	1.4
91.05476	43.8
93.03406	34.5
93.07040	22.9
95.04414	2.3
95.04971	20.2
95.08591	7.4
96.61523	1.3
97.06532	10.5
98.75247	1.6
99.04399	1.5
103.05463	19.3
105.03421	1.6
105.04543	2.8
105.07037	4.3
106.04169	82.9
107.04955	7.8
107.08582	5.9
109.06496	5.7
109.10197	2.6
111.08012	1.4
111.46757	1.4
115.05448	1.3
117.03372	5.9
117.07003	3.3
119.04919	4.5
119.08588	2.4
121.06499	76.0
121.10121	2.3
123.04433	4.4
123.08034	2.9
124.05174	2.3
125.05987	22.0
131.04924	6.8
134.03636	13.0
135.04405	5.2
135.08055	1.9
135.11693	8.2
137.05983	10.8
138.06749	4.7
139.07530	3.9
145.02837	5.8
145.10112	5.9
147.04332	1.7
148.05170	7.7
149.05975	100.0
151.03922	2.3
151.07532	4.0
152.08345	1.8
153.05475	4.6
153.09099	18.6
159.04433	2.2
163.07555	5.4
163.11182	6.1
165.05513	2.4
166.06271	3.0
176.04636	2.2
177.05458	44.0
180.07770	2.2
181.08566	22.3
191.07027	5.9
191.14252	2.0
202.81409	1.3
209.08090	21.7
209.09889	2.3
209.15327	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03941	7.2
55.01624	1.3
55.01871	18.6
55.05495	3.3
57.03426	2.2
62.68462	1.0
65.03940	14.3
67.05504	10.5
69.03429	2.0
69.07055	3.9
70.07076	2.6
70.07477	1.5
71.04988	1.8
75.04479	10.3
77.03932	1.4
78.04700	11.8
79.05495	12.3
81.03416	4.3
81.07050	10.6
83.04973	2.3
83.08594	1.6
85.02899	8.6
85.06551	3.5
89.03908	7.0
89.06033	1.8
91.05477	47.0
93.03407	26.6
93.07037	23.4
95.04964	21.2
95.08604	9.6
96.05742	1.1
97.06532	10.5
97.10181	1.6
98.21420	1.7
99.08091	1.4
99.86097	1.1
101.07566	0.9
103.05457	22.6
105.03360	3.4
105.04514	2.8
105.07030	5.0
106.04172	74.3
106.70560	1.1
107.05018	6.6
107.08586	7.9
108.05724	1.1
109.06506	6.7
109.10160	7.1
110.03618	0.9
111.04431	4.5
117.03381	4.2
118.04145	2.5
119.04958	7.1
120.05725	1.0
121.06501	83.3
121.10120	3.8
122.03577	1.0
122.07262	2.0
123.04437	4.4
123.08057	3.3
124.05187	2.9
125.05162	1.7
125.05994	19.5
125.09605	1.2
131.04961	8.1
131.05879	1.8
131.08536	1.4
133.02841	1.9
133.06438	1.3
133.10112	1.7
134.03632	13.8
135.04393	4.5
135.08054	4.1
135.11681	4.1
137.05969	11.2
138.03130	1.1
138.06731	4.5
138.07739	1.0
139.07570	5.4
145.02841	5.0
145.10106	2.5
147.04407	3.2
148.05194	10.1
149.05974	100.0
149.13202	1.3
150.06458	1.9
151.03993	1.2
151.07573	5.7
151.11165	2.9
152.08249	1.6
153.05490	6.6
153.06708	1.0
153.09084	17.1
159.04399	2.1
162.03107	1.1
163.03856	3.1
163.07516	6.9
163.14676	1.2
165.05519	2.4
165.06961	1.4
165.12767	1.3
166.06285	4.5
166.07684	1.7
167.07048	2.3
168.07779	1.3
173.13220	1.1
176.04680	1.3
177.05472	43.7
178.06012	1.4
178.09950	1.3
179.07040	1.3
179.08553	1.2
180.07903	1.9
180.09435	1.0
181.04919	1.0
181.08600	20.4
181.10135	1.3
191.07043	6.9
191.08488	1.3
191.10678	1.6
191.14302	3.6
194.05742	1.7
194.09294	1.5
208.06815	1.0
209.04442	3.3
209.06279	1.5
209.08078	21.2
209.09631	2.0
209.11661	3.6
209.13568	1.8
209.15245	7.8
209.19034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03947	7.1
55.01866	9.7
55.05507	1.2
57.03433	1.2
61.02911	1.2
65.03937	14.6
67.05489	7.2
69.03425	1.9
69.07042	1.4
71.04992	1.5
71.38298	0.9
75.04476	10.5
77.03925	2.3
78.04709	14.3
79.05489	8.5
81.03418	2.5
81.07060	3.4
82.04213	1.6
82.23827	0.9
83.04974	1.8
85.02900	8.0
85.06512	1.0
89.03910	6.6
89.06040	3.0
91.05477	48.1
93.03400	31.3
93.07043	19.7
95.04964	30.5
95.08595	2.2
97.06531	12.0
103.05464	21.7
105.03403	3.0
105.04530	3.0
105.07037	3.0
106.04169	84.6
107.04973	4.9
107.08590	2.9
108.02081	1.1
108.05733	1.9
109.02905	1.2
109.06503	6.6
109.10126	1.0
110.07286	1.4
111.04451	2.3
117.03371	5.1
119.04944	3.4
120.05750	2.0
121.06497	86.8
121.10136	2.7
122.07375	1.6
123.04413	4.8
123.08063	3.1
124.05199	2.6
125.05989	20.4
125.09608	1.8
130.41173	0.8
131.04930	8.1
133.02870	1.4
133.06512	1.5
133.10121	1.1
134.03636	12.5
135.04408	3.2
135.08066	1.7
137.05974	11.9
138.06767	4.0
139.07558	5.1
145.02881	4.4
147.04362	2.1
147.11638	0.9
148.05171	9.1
149.05974	100.0
150.06401	1.4
151.03836	1.7
151.07542	3.4
151.11145	1.1
153.05486	6.9
153.09097	19.9
159.04384	3.0
162.03165	1.3
163.03903	1.4
163.07561	4.3
165.05551	1.1
166.06256	2.6
167.07068	3.9
170.82620	0.9
173.13310	1.8
177.05469	39.5
180.07797	1.5
181.08588	18.2
181.10141	1.6
191.07031	4.7
191.14252	4.3
194.05730	2.1
209.04559	1.0
209.08064	20.9
209.09877	1.8
209.15337	4.3
223.83711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1332
Annotation	SALSOLIDINE
Peak:m/z	Relative Intensity
53.03964	0.9
54.08837	0.5
55.05514	0.8
56.96595	0.5
67.05532	0.7
70.58846	1.8
79.05520	2.2
84.08166	1.0
88.75812	0.5
91.05481	4.5
93.07068	1.0
95.05000	0.7
103.05492	1.5
105.07033	2.4
106.04160	0.6
107.04975	0.9
109.06553	1.1
116.06241	1.2
117.07056	2.2
119.04932	0.5
119.08580	1.0
120.05843	0.6
120.08133	1.8
121.06518	7.4
129.07007	3.2
130.07780	0.8
131.04936	1.2
131.08562	2.8
133.06473	4.4
134.03607	0.7
134.07277	1.2
135.04419	1.0
135.08078	1.1
137.06000	2.2
144.05698	2.5
145.06485	10.1
146.07202	1.0
147.06799	1.5
147.08078	2.9
148.07547	1.2
149.05971	4.7
149.09644	0.8
150.06773	5.3
151.07532	1.7
157.06538	0.8
159.08049	9.0
160.08835	57.9
161.05988	5.5
161.09613	3.3
162.09126	0.7
164.07077	1.5
164.08371	1.6
165.09117	27.8
176.08322	32.0
176.10793	1.3
177.05577	0.7
179.09393	0.8
179.10683	4.6
189.09172	0.7
191.10669	100.0
192.11009	2.2
193.10806	0.5
194.02127	0.8
208.13316	43.8
209.04475	1.2
209.13641	0.8
209.15451	0.7
210.65952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03948	7.0
55.01627	1.4
55.01871	19.2
55.05492	1.4
65.03929	10.4
67.05502	5.7
69.43798	10.8
75.04476	10.0
75.23591	1.1
77.03914	1.4
78.04720	12.0
78.93571	1.4
79.05486	6.8
81.03411	2.0
81.07036	1.5
82.04205	1.5
85.02898	7.1
89.03906	6.6
89.06050	2.7
89.24441	1.2
91.05474	41.5
91.07990	1.1
93.03403	29.2
93.07038	17.1
94.04212	1.4
94.07047	1.2
95.04971	17.4
96.05780	1.3
97.06529	9.7
103.05465	21.8
105.03384	2.1
105.04491	2.1
105.07016	3.3
106.04170	75.5
107.04936	5.1
107.08577	1.8
108.05730	2.4
109.06513	4.1
111.04436	1.3
117.03368	5.8
119.04929	4.1
120.05736	1.6
121.06502	73.8
122.07280	1.6
123.04417	5.2
123.08041	2.5
124.05161	1.7
125.05980	19.8
125.09620	1.5
131.04933	6.8
133.02818	2.1
134.03618	14.0
135.04388	4.4
135.08029	2.0
137.05978	10.8
138.03137	1.4
138.06755	2.8
139.07536	4.3
145.02855	8.7
147.04417	2.1
148.05194	8.9
149.05975	100.0
150.06323	1.9
151.03931	1.4
151.07520	5.0
153.05481	7.3
153.09088	19.4
159.04422	2.6
163.03979	1.5
163.07555	5.8
166.06255	3.4
167.07072	1.8
167.87631	1.3
176.04674	2.6
177.05469	48.2
179.27220	1.2
181.08566	19.1
187.13135	1.2
191.07027	8.7
191.14276	1.7
209.08098	22.6
209.15376	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02377	1.9
53.03946	9.2
55.01873	13.9
57.03436	1.7
65.03938	11.0
67.05515	7.3
69.40080	13.5
71.05003	2.3
75.04488	10.6
77.03906	2.5
78.04717	13.2
79.05497	10.7
81.03403	1.8
81.07057	3.2
81.47099	1.5
83.04993	1.9
85.02905	8.8
89.03908	7.0
89.06020	2.5
91.05476	51.5
92.05797	1.3
93.03407	30.3
93.07037	19.1
95.04970	23.9
95.08588	2.9
97.06533	14.4
102.44532	1.2
103.05463	20.3
105.04498	3.2
105.07033	2.0
106.04172	93.3
107.04943	5.0
107.08587	2.6
108.05700	2.1
109.06519	5.7
109.10121	1.3
111.04459	3.2
117.03372	4.4
118.04164	1.7
119.04948	4.9
120.05770	1.9
121.06504	86.1
121.10130	2.3
123.04426	5.3
123.08086	2.2
124.05193	1.7
125.05992	25.0
131.04915	8.1
131.05841	1.7
133.02818	1.7
134.03633	17.3
135.04437	4.1
135.08070	2.2
137.05949	12.4
138.06764	4.5
139.07529	6.2
145.02834	3.7
147.04431	2.6
148.05167	8.5
148.39574	1.7
149.05978	100.0
149.13286	2.1
151.03906	1.9
151.07578	4.3
151.11089	1.5
153.05455	5.8
153.09088	17.4
159.04320	2.0
162.03122	1.5
163.07529	5.2
165.05457	2.4
166.06242	2.6
167.07069	3.1
177.05460	39.3
181.08578	18.0
191.07021	5.2
191.14267	2.0
209.08081	18.0
209.15497	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02375	1.0
53.03946	10.8
55.01632	1.0
55.01873	12.5
55.05501	3.8
56.44746	0.9
57.03427	2.9
57.07070	1.5
59.05004	1.2
65.03943	16.6
67.05511	8.4
68.99798	1.1
69.03419	1.8
69.07056	2.3
70.35007	3.7
71.04987	3.2
75.04480	11.8
77.03949	2.7
78.04708	16.7
79.05489	12.5
81.03426	2.7
81.07058	5.5
82.04190	1.9
83.01340	2.8
83.04985	3.8
83.08614	1.6
85.02906	10.2
85.06540	2.3
89.03912	6.4
89.06020	2.9
90.18641	1.0
91.05481	60.0
92.05773	1.3
92.06297	1.6
93.03407	31.9
93.07046	23.0
94.04197	1.8
95.04964	36.2
95.08600	5.4
95.57644	0.9
96.05753	1.5
97.06527	16.1
99.04446	3.7
99.08122	2.1
103.05466	23.8
105.03410	3.6
105.04530	3.9
105.07009	5.2
106.04174	93.4
107.04964	7.0
107.08584	8.9
108.05777	1.3
109.06522	14.1
109.10150	3.9
110.03674	1.3
110.07283	1.4
110.89272	0.9
111.04443	3.6
111.08092	2.7
117.03393	4.3
117.06971	1.6
118.04171	2.2
119.04943	5.4
119.08559	2.9
120.05731	1.8
121.02832	1.2
121.06506	85.1
121.10125	6.3
122.07352	2.2
123.04420	4.0
123.08073	5.1
123.11651	1.2
124.05213	3.9
125.05985	22.8
125.09651	3.1
126.72562	1.0
131.04968	7.4
131.05907	1.8
131.08554	3.4
133.02866	1.9
133.06458	1.6
133.10143	6.3
134.03632	16.1
135.04419	4.4
135.08032	5.4
135.11693	2.1
137.05968	13.8
137.09576	1.4
138.06740	4.4
139.07538	7.9
145.02864	4.7
145.10132	1.4
146.39848	1.0
147.04359	2.0
148.05212	11.7
149.05984	100.0
149.09621	3.3
149.13307	3.2
151.03859	2.2
151.07536	5.5
151.11182	3.0
152.04633	1.3
152.08359	1.6
153.05472	5.4
153.07919	1.7
153.09114	26.7
153.10350	1.7
156.61786	1.1
159.04448	1.3
163.03868	2.6
163.07558	5.3
163.11217	1.3
163.14824	2.2
165.05470	3.1
166.06273	3.0
167.07056	4.4
173.13284	2.4
176.04654	1.5
177.05467	41.1
181.08611	20.2
191.07024	3.8
191.14294	7.0
194.05731	1.5
209.04401	2.1
209.08044	18.4
209.15364	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01585	0.8
51.02368	1.3
53.03943	8.1
55.01861	1.9
55.05509	7.9
59.04992	0.7
60.01089	0.6
65.03923	2.0
67.05498	26.4
69.07061	6.0
71.04977	2.2
71.06382	0.7
71.06697	1.1
73.06534	1.3
77.03919	1.4
78.04671	0.7
79.05486	47.5
79.85417	0.6
80.33620	0.5
81.03395	2.0
81.07050	25.3
83.04986	3.3
83.08621	3.0
85.06541	2.7
91.05473	55.2
92.05803	0.7
93.07036	100.0
94.07363	1.1
95.04350	1.2
95.04961	19.0
95.08604	7.9
97.06532	2.4
97.10143	0.8
103.05515	0.9
105.04518	2.2
105.07021	27.6
107.04967	1.4
107.08589	9.3
109.06503	5.0
109.10130	0.7
111.08069	0.9
115.05478	0.7
117.06990	5.2
119.08576	17.4
121.06472	1.8
121.10167	2.7
123.08049	4.1
127.07535	1.4
128.06265	1.1
129.06995	10.8
130.07764	0.6
131.08600	1.2
133.06454	0.6
133.10136	7.3
143.08559	5.8
145.10126	7.1
147.08037	2.5
147.11671	52.1
148.11992	1.3
156.09306	0.8
161.09602	3.3
161.13234	7.8
171.11681	19.5
172.12062	0.6
178.07835	0.6
189.12729	9.5
189.16469	0.6
207.06567	2.4
207.13774	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	0.7
55.05515	3.0
56.05031	0.6
56.79574	0.3
56.96587	0.4
57.07064	0.6
58.06596	0.4
59.06118	0.3
67.05503	2.5
68.05016	0.7
69.03425	1.4
69.07065	1.3
70.06594	1.0
71.03480	0.3
71.03803	0.6
71.04984	0.5
72.08154	4.4
76.16850	0.2
79.05492	2.4
80.05004	0.8
81.03411	1.3
81.07056	3.1
82.06578	4.7
83.04972	0.9
83.08619	1.0
84.08143	100.0
85.02911	0.8
85.06521	0.4
85.08479	1.3
89.03919	0.4
91.05478	9.0
93.07053	3.4
94.06578	0.9
95.04982	1.9
95.06064	0.3
95.08603	3.3
96.08122	4.9
97.06512	0.3
98.09694	0.7
103.05480	1.2
105.03415	0.4
105.07032	6.5
107.04961	0.8
107.08596	2.4
108.05749	0.5
108.08131	0.9
109.06537	2.6
109.10162	1.0
110.09669	1.8
111.04433	0.4
111.08087	0.4
112.11278	1.0
115.05467	0.7
117.07028	1.2
118.04163	0.4
119.04948	5.6
119.08581	4.8
120.08105	1.5
121.02901	0.4
121.06526	1.5
121.07661	0.3
121.10152	1.9
123.04453	1.0
123.08069	2.2
123.09071	0.3
123.11739	0.9
128.05247	0.3
128.06255	1.0
129.07021	0.8
131.04959	0.5
131.08612	1.8
133.02817	0.3
133.06471	1.7
133.10138	3.4
135.04433	0.8
135.08105	0.7
135.11694	0.6
136.05211	1.0
137.06007	1.2
137.09644	1.0
138.11641	0.5
138.12775	4.5
143.08585	1.4
145.06522	1.1
145.10141	1.1
146.03650	0.5
146.07219	0.5
147.02692	0.5
147.04428	5.4
147.08035	1.9
147.11690	2.5
148.08728	0.5
148.11168	0.5
149.02359	2.3
149.05969	0.9
149.09627	2.3
149.13312	0.5
150.06720	0.7
150.10155	0.3
150.12737	1.4
151.07565	2.1
156.09354	0.6
159.08055	0.8
160.08827	5.7
161.05925	2.2
161.09612	2.4
161.13271	1.9
162.05472	0.4
162.09099	0.3
162.12779	0.8
163.03923	0.9
163.11209	0.5
163.14870	0.4
164.04689	2.3
164.08301	0.3
164.14383	2.2
165.05496	0.4
165.07909	0.5
165.09125	2.9
165.12804	1.2
171.11749	0.6
174.03131	0.3
174.10527	0.4
175.02458	0.4
175.03883	3.0
176.08333	2.9
177.05490	0.5
177.12900	0.3
178.15889	0.5
179.07047	1.9
179.10716	0.7
189.05551	1.0
189.09132	1.7
189.12778	2.6
189.16417	1.3
191.08929	0.5
191.10667	9.3
192.04158	1.8
207.03076	0.6
207.04747	0.3
207.06511	8.1
207.08203	1.0
207.09883	2.2
207.12102	0.5
207.13837	4.0
207.18617	19.1
208.06825	0.4
208.09644	0.4
208.13266	3.3
208.18803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.01596	0.9
51.02359	1.1
53.03944	7.0
55.01883	1.7
55.05506	8.1
57.03417	0.8
61.66245	0.7
65.03918	1.8
67.05500	24.6
67.41817	0.7
69.07063	6.7
69.41946	0.6
71.04980	2.2
71.10581	1.4
71.10921	0.7
71.33643	0.7
73.06569	1.3
77.03905	1.5
79.05487	49.7
81.03403	1.8
81.07049	25.1
81.94815	0.6
83.04970	2.7
83.08603	2.8
84.54519	0.6
85.06538	2.9
88.28880	0.6
91.05473	55.4
93.07035	100.0
94.07370	1.2
95.04350	0.9
95.04961	17.7
95.08603	9.1
97.06522	2.1
97.10147	1.2
103.05454	1.0
105.04499	2.7
105.07022	28.8
106.07326	0.8
107.04936	1.7
107.08585	11.8
109.06514	4.9
109.10152	1.1
117.07004	5.1
119.04924	1.0
119.08577	16.9
121.06510	3.2
121.10115	1.8
123.04420	0.9
123.08044	3.3
127.07558	1.2
128.06232	1.3
129.06992	11.1
131.08609	1.8
131.82001	0.7
133.10126	7.0
135.08078	0.8
143.08533	6.5
145.10100	7.5
147.04410	1.3
147.08070	3.4
147.11671	49.0
148.11971	1.4
149.02347	1.2
151.07582	1.5
156.09319	0.9
161.06009	0.8
161.09627	4.4
161.13293	7.5
164.04700	1.2
165.09067	1.1
165.12772	0.7
171.11674	19.2
179.07056	0.8
189.12735	8.4
192.04153	0.8
207.06552	2.6
207.10176	1.4
207.11871	1.1
207.13811	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	208.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
55.01887	2.1
55.05519	1.7
56.96574	2.2
57.07089	0.9
65.03953	1.6
67.05513	1.9
69.03448	1.5
69.07095	0.8
70.06595	2.0
70.12818	3.3
71.04990	1.6
72.08172	1.8
79.05512	2.8
80.05021	0.6
81.03410	1.7
81.07069	2.0
83.04997	1.4
84.08134	4.8
85.02901	1.3
85.08493	2.0
91.05487	7.1
92.05814	1.4
93.03419	0.9
93.07042	3.7
94.06542	0.8
95.04983	2.6
95.08635	1.9
97.06538	0.6
97.07668	1.1
103.05466	3.3
105.07043	4.0
106.04202	1.5
106.07352	0.7
107.04967	3.4
107.08606	2.9
109.02922	1.2
109.06540	1.7
109.10172	1.0
110.06002	1.0
111.04448	1.1
116.06272	0.8
117.07021	3.1
119.04955	2.1
119.08617	1.5
120.05782	0.9
120.08131	3.2
120.08846	0.7
121.02902	0.9
121.06509	10.4
121.10150	2.5
122.07202	0.9
123.04404	0.9
123.08107	1.4
123.09181	0.8
124.07572	0.7
128.06192	1.4
129.07001	3.8
131.04939	1.8
131.08577	3.2
132.04413	0.7
133.06490	3.2
133.10054	0.7
134.03624	1.8
134.05971	0.7
134.07047	0.7
135.04463	1.1
135.08060	2.2
135.11746	1.0
137.05981	4.2
137.09622	1.0
139.03972	0.7
144.05693	2.7
145.02876	0.8
145.06473	10.2
146.07208	1.1
147.04190	1.0
147.06781	5.0
147.08060	3.5
148.04897	1.5
148.07565	1.1
148.08725	1.0
148.12047	0.8
149.05998	6.9
149.09601	1.4
149.13315	1.0
150.06712	4.9
150.10080	0.9
151.07507	3.3
159.08043	8.1
160.08832	56.8
161.05951	5.5
161.09596	2.7
162.05524	2.7
162.09116	1.9
163.03914	1.1
163.07553	1.3
164.07076	1.8
164.08344	1.8
165.09102	27.5
165.11247	1.3
167.03400	1.0
167.07135	0.8
175.06200	1.5
176.04333	1.2
176.08324	31.7
176.10651	1.3
177.05421	3.0
179.03395	1.5
179.09322	0.9
179.10674	5.7
181.05032	0.8
189.09059	0.7
190.12311	0.6
191.10663	100.0
192.11006	2.5
193.07365	1.8
193.10873	0.7
193.15848	1.4
194.02037	1.4
208.06476	2.4
208.09729	9.5
208.13316	46.8
208.18758	1.0
209.04411	2.6
209.08076	2.2
209.13457	0.8
209.15352	2.0
215.02306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
52.72951	1.2
53.03959	1.5
55.01872	1.6
55.05512	7.2
57.07068	1.5
59.04979	1.3
65.03934	2.0
67.05502	11.7
67.22118	1.3
68.61748	1.1
68.72070	1.2
69.03413	3.0
69.07069	23.0
71.04996	3.3
71.08622	2.8
71.64533	1.7
73.02944	1.6
78.95201	1.2
79.05493	16.8
80.87430	1.3
81.03439	2.0
81.07047	14.4
83.04998	2.6
83.08625	3.8
85.02902	2.3
87.04434	1.5
91.05482	26.5
93.07042	24.1
94.07392	3.3
95.04965	6.5
95.08607	15.1
96.08908	2.0
96.83169	1.2
97.06541	1.5
100.39885	1.6
103.05450	3.0
105.07030	55.1
107.04987	1.7
107.08593	23.4
108.08871	1.3
109.06528	4.6
109.09356	1.7
109.10161	4.6
115.05420	1.9
115.96529	1.5
117.07010	2.7
119.04980	6.5
119.08578	77.2
121.06517	2.0
121.10144	18.9
122.10488	4.1
123.04415	1.6
123.08099	11.6
123.10842	2.7
123.11698	2.5
125.05973	1.6
131.08569	4.8
133.06477	8.3
133.10120	22.7
135.07996	2.2
135.11717	3.9
137.05946	6.9
137.09621	2.9
139.07530	6.2
143.08553	1.8
145.10143	2.9
146.10938	1.6
147.04422	5.6
147.08026	9.2
147.11697	10.8
149.09621	4.3
151.07544	28.4
151.13882	2.2
156.09355	3.1
159.11728	3.2
160.30408	1.3
161.05908	3.2
161.09631	5.2
161.13260	100.0
162.13683	1.5
163.11177	1.5
163.14824	1.6
165.07019	3.3
165.09073	2.0
166.07756	1.3
171.11687	4.2
172.38393	1.8
175.03929	4.5
178.07764	4.6
179.07129	1.8
179.08545	4.9
179.14308	5.7
189.12764	19.1
189.16406	1.7
191.08540	11.8
192.04269	1.7
192.09335	58.0
193.10075	5.7
207.03001	1.6
207.06519	9.6
207.08356	2.6
207.10243	2.8
207.11711	74.0
207.13831	50.3
207.17287	2.9
207.20285	1.9
208.12270	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01852	1.0
55.05501	5.4
57.07071	5.5
59.04982	1.3
61.75102	0.9
64.60315	0.9
65.03951	1.6
67.05502	33.5
68.13459	0.9
69.03426	5.9
69.07043	3.9
70.77610	3.1
71.04980	1.3
71.67094	0.8
79.05492	5.3
81.07035	7.6
83.04962	3.6
85.02904	12.0
85.06535	8.7
91.05479	10.1
93.07036	15.5
95.04961	5.3
95.08600	100.0
96.08904	1.4
97.06487	1.1
100.81001	0.9
105.06358	1.5
105.07026	19.7
107.08585	20.0
109.06480	6.3
109.10148	4.6
109.62242	0.9
111.08082	1.5
113.06014	4.5
116.06218	1.1
119.04940	0.9
119.08569	30.9
120.09354	1.3
121.06487	3.7
121.10130	17.0
123.08060	59.4
123.11703	15.5
125.22781	0.9
129.06934	1.4
130.07741	1.3
131.08548	7.1
133.06503	1.6
133.10129	8.0
135.08052	2.2
135.11684	2.7
137.09579	5.4
137.13231	1.1
139.07547	2.2
140.62129	0.9
141.06891	1.0
143.08533	2.3
145.10095	3.4
147.04330	0.9
147.08034	6.0
147.11671	17.5
149.09613	36.5
151.07500	2.6
151.14775	4.1
156.09358	5.3
159.08020	2.2
160.08797	1.9
161.09637	3.0
161.13234	17.6
163.11160	4.0
164.04631	0.9
165.09073	1.9
165.12749	8.2
165.94862	1.0
171.11674	3.4
174.10417	3.6
179.14227	2.3
189.12741	19.8
207.13789	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.3
55.01861	4.2
55.05517	7.7
56.29657	1.3
57.03417	2.6
57.07066	2.8
58.51412	1.4
59.04987	2.5
65.03917	2.5
67.05508	9.8
69.03428	10.4
69.07047	5.2
69.07391	1.6
71.04976	6.3
71.08210	3.9
79.05494	11.9
81.03391	1.6
81.07051	16.0
83.04955	4.5
83.96287	1.4
85.02450	2.8
85.02912	39.0
85.06532	3.9
90.33711	1.5
91.05478	41.3
93.06540	1.7
93.07041	14.6
95.04955	6.1
95.08618	13.7
97.06532	2.3
103.05452	4.5
105.07031	41.3
107.04947	7.5
107.08589	16.2
107.76580	1.6
108.05708	1.6
109.06524	15.4
109.10171	7.8
115.05439	4.6
116.06224	3.8
117.07024	7.7
118.04169	3.8
119.04955	20.7
119.08582	41.1
121.02824	2.1
121.06514	8.5
121.10166	17.2
123.04391	5.7
123.08077	20.5
123.11705	19.7
125.05988	3.7
128.06218	6.7
129.07011	9.1
130.07759	4.1
131.04921	5.8
131.08575	18.6
133.06487	10.9
133.10129	12.8
134.10530	1.9
135.04373	2.1
135.08058	3.1
135.11740	2.0
136.05167	5.4
137.05969	8.2
137.09595	4.9
141.06950	3.9
142.07758	1.9
143.08531	8.1
145.06488	3.1
145.10135	14.4
146.03596	6.5
146.07248	6.8
146.10880	4.0
147.04416	21.5
147.08058	13.6
147.11687	48.1
148.05168	4.7
149.02348	14.2
149.05969	2.6
149.09621	17.7
149.13229	2.0
151.07550	15.1
156.09340	18.8
159.08052	6.5
159.11682	2.1
160.08775	3.0
161.05984	84.9
161.09616	25.1
161.13254	14.3
162.06310	2.3
163.03905	3.5
163.11212	12.2
164.04706	17.3
165.05444	4.5
165.09090	3.7
165.12718	8.8
171.08083	1.5
171.11670	7.2
174.03110	3.3
174.06694	2.8
174.10391	10.4
175.03932	7.3
177.05392	2.3
179.07048	16.2
179.10707	2.2
189.09105	29.9
189.12741	38.1
189.59004	1.6
190.13026	1.6
192.04192	6.5
207.06552	38.0
207.10234	23.3
207.13799	100.0
221.81676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03934	2.1
55.05508	16.8
57.07069	8.2
67.05502	15.0
69.07065	28.5
71.08620	1.3
71.09875	0.7
76.08252	0.7
79.05490	17.6
79.45303	0.7
81.07054	65.9
83.08616	12.7
91.05466	7.6
93.07040	62.1
95.04960	1.7
95.08601	39.6
97.10168	10.4
105.07024	6.6
107.08589	52.6
109.06502	1.5
109.10149	38.4
111.11696	4.6
119.08564	1.7
121.10136	100.0
122.10454	2.1
123.11705	19.9
135.11682	32.5
137.13226	2.6
147.11688	1.1
149.02338	1.8
149.13251	60.7
150.13625	2.1
163.14830	8.4
197.07941	0.7
205.19504	34.1
206.19783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.01870	0.3
55.05502	0.4
56.05026	0.5
56.96563	2.7
57.03429	0.4
57.07079	0.4
60.04520	0.5
61.02890	0.2
67.05477	0.3
68.05012	0.3
68.99800	0.3
69.03429	0.5
69.07059	0.3
70.06579	0.3
70.26408	0.5
70.26801	0.4
71.01338	0.2
71.04992	0.3
72.08114	0.3
73.02923	0.7
79.05488	0.5
81.03403	1.0
81.07058	0.6
84.04500	0.4
84.08138	0.8
85.02907	1.0
91.05486	0.6
93.07049	0.5
95.04973	0.5
95.06061	0.5
96.04474	0.4
97.02885	0.9
98.09686	1.2
98.97589	0.6
99.04433	0.3
103.05466	0.3
104.04988	0.8
105.07044	0.4
107.04958	0.4
107.08604	0.6
109.06512	0.2
109.10138	0.3
110.06057	0.3
116.05315	0.3
116.98611	0.4
118.06551	0.7
119.04961	0.4
120.08105	0.3
121.10119	0.3
123.04383	0.5
128.98625	0.3
132.04446	29.7
134.05995	0.4
134.99582	0.3
144.09175	0.4
144.10185	2.0
146.06000	0.7
146.10419	0.3
146.99640	0.3
147.04424	0.3
149.02330	0.9
149.09564	0.3
149.13248	0.3
150.02675	1.7
150.10219	0.3
160.04085	0.7
160.07487	0.5
160.09578	0.5
160.12100	0.3
163.03909	0.9
163.06204	0.3
173.01256	0.6
174.05470	0.5
177.07864	0.4
178.04984	100.0
179.05363	1.2
182.99594	0.4
188.06937	0.3
188.09160	0.6
189.00648	0.2
191.05841	0.6
191.14284	1.0
201.00742	1.4
206.04477	46.9
206.08096	2.9
206.11823	1.5
207.02982	0.3
207.04825	1.0
207.06593	0.4
219.01765	0.5
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
53.31273	0.3
53.36346	0.4
54.17914	0.3
56.05046	0.4
56.44456	0.3
56.96579	1.3
57.03445	0.3
57.07064	0.4
64.06661	0.4
65.03974	0.4
68.05057	0.9
69.03414	0.4
70.06591	0.6
71.13523	0.9
72.08127	0.3
79.05505	0.8
80.05012	0.5
81.03417	1.3
84.04490	0.5
84.08160	1.1
85.02910	0.9
86.09705	0.4
88.41901	0.3
91.05477	0.9
93.07082	0.5
95.04969	0.5
97.02901	0.8
97.07655	0.6
98.07215	0.5
101.44706	0.3
104.05025	0.9
105.07069	0.4
106.07390	0.3
108.04447	0.8
108.51147	0.3
114.05572	0.4
116.05270	0.3
116.98638	0.4
118.06571	1.2
119.05016	0.5
120.08060	0.4
120.08863	0.3
121.06495	0.4
121.10129	0.4
122.03217	0.5
122.07134	0.6
126.05476	0.3
132.04446	25.8
132.08083	0.4
136.06154	0.4
137.05931	0.4
146.05972	1.8
146.10484	0.4
147.04436	0.5
149.02313	1.7
150.02689	2.5
150.10275	0.5
160.03979	0.8
160.07574	1.1
161.05904	0.4
164.07024	0.5
173.01167	0.3
174.05414	0.4
175.03883	0.4
176.07146	0.4
177.07806	0.8
178.04985	100.0
179.05313	1.5
188.07103	0.5
191.14307	1.7
201.00681	0.7
206.04474	50.1
206.08142	4.4
206.11792	3.7
206.13885	0.7
207.02841	0.4
207.04790	0.8
207.06537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05511	18.0
57.07075	7.4
67.05502	16.4
69.07067	32.6
70.05727	5.6
70.06135	2.9
71.08610	2.3
79.05500	16.6
81.07054	66.6
83.08610	13.7
89.29272	1.1
91.05483	7.8
93.07043	61.6
95.08601	47.5
96.08872	1.2
97.10167	8.7
98.21477	1.6
105.07037	5.6
107.08591	50.3
109.06545	1.4
109.10159	36.0
111.11723	4.2
121.10143	100.0
123.11717	19.8
124.11153	1.2
124.12030	1.3
135.11690	36.3
137.13271	2.9
149.02284	1.5
149.13264	67.9
152.98569	1.4
163.13629	1.5
163.14774	7.2
172.15767	1.3
185.64030	1.4
205.19514	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	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03941	2.5
55.05508	21.0
56.05822	1.3
57.07061	5.4
67.05499	19.6
68.96251	1.2
69.06723	2.3
69.07069	34.8
69.72643	9.5
71.00936	1.3
71.08621	2.0
71.74372	1.3
77.03944	1.1
79.05057	1.5
79.05486	21.1
81.07053	70.1
82.07381	1.3
83.08611	12.8
91.05477	11.6
93.07040	69.3
95.04971	1.7
95.08604	51.3
97.10165	10.0
105.07021	8.4
107.08589	57.2
109.10148	44.5
111.11708	3.6
119.08537	2.0
121.10136	100.0
122.10464	2.0
123.11688	21.9
128.13872	1.1
135.11684	37.5
137.13235	2.6
144.27266	1.2
149.13251	71.2
163.14830	8.7
182.24440	1.3
182.60873	1.5
196.67932	1.3
205.19504	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	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.18102	0.9
55.05512	7.2
57.07071	2.6
67.05508	10.6
69.07072	15.6
69.51476	0.8
70.65225	1.1
70.65578	2.8
71.08617	2.0
79.05489	10.1
81.07056	54.2
83.08619	5.2
91.05480	6.9
93.07043	48.2
95.08605	24.6
97.10177	6.3
105.07027	4.0
107.08591	29.9
109.10158	21.1
111.11697	1.7
119.08660	1.1
121.10144	100.0
122.10484	2.8
123.11713	8.4
135.11682	18.2
149.02391	1.2
149.13254	39.0
150.13594	1.5
151.20815	1.0
163.14836	3.8
205.19487	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	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05516	14.9
57.07076	20.7
60.04507	4.4
65.03927	6.9
67.05501	12.0
69.03415	5.8
69.07071	19.6
71.64683	4.8
71.65083	4.4
79.05487	11.4
81.03382	3.6
81.07056	57.0
83.08604	8.4
84.04490	6.5
85.02895	5.8
85.04845	4.1
86.39291	2.5
91.05479	11.0
93.03396	2.8
93.07047	53.2
95.04948	6.8
95.08598	33.7
97.02875	11.2
97.04799	5.1
97.10164	8.7
98.03231	4.5
105.07023	13.8
107.06043	2.5
107.08595	43.5
109.02876	7.2
109.10161	28.0
113.96373	4.8
115.05844	4.6
117.07002	7.8
119.08556	7.0
121.02850	10.9
121.03922	2.5
121.06463	5.5
121.10137	95.9
123.11702	16.1
126.05490	4.2
127.03858	3.1
127.05839	9.4
131.08586	10.7
131.97412	6.0
133.10114	7.7
135.11710	32.7
145.06557	8.1
145.10167	5.0
147.07994	3.7
149.02350	100.0
149.05994	3.8
149.09583	4.9
149.13258	46.7
150.02672	7.5
154.65710	2.6
159.11652	15.0
163.11150	3.3
163.14778	4.1
167.03378	3.0
169.10081	5.0
173.05937	5.5
177.12747	7.0
187.11136	9.6
205.04980	8.0
205.08754	15.6
205.12209	21.9
205.14188	14.2
205.15918	12.9
205.19516	29.3
206.08104	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	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03925	5.7
55.01867	2.5
55.05511	10.4
56.75021	1.7
56.96543	2.9
57.03397	5.1
57.07072	16.6
59.04972	3.4
60.04488	6.0
65.03923	8.1
66.97935	1.5
67.05508	16.5
68.05002	3.1
69.03429	12.4
69.07069	12.1
70.06564	2.6
71.04949	5.5
71.62149	2.4
76.04776	1.6
79.05490	17.0
79.83883	1.5
80.04970	3.4
81.03388	5.0
81.07049	33.3
83.04943	3.8
83.08585	5.3
84.04451	1.9
84.08139	16.0
85.02858	7.7
85.06515	3.5
91.05473	33.8
93.07040	43.8
95.04961	15.8
95.08601	39.1
96.04444	4.5
97.02892	10.6
97.04790	1.9
97.06535	10.1
97.10095	2.6
98.03175	3.9
98.97513	2.3
99.04442	2.7
99.08060	2.1
103.05402	6.7
105.07027	59.0
107.04890	5.6
107.08582	47.2
108.08109	9.1
109.02824	6.5
109.06503	13.6
109.10143	15.1
110.09634	4.8
111.04408	2.7
111.08003	6.9
111.63387	1.6
115.05385	7.8
116.98580	3.9
117.07007	24.6
118.06480	5.1
119.08579	41.6
120.08104	15.2
121.02876	14.3
121.03667	2.8
121.06515	16.2
121.07324	2.6
121.09331	2.4
121.10132	30.3
122.09591	1.8
123.08065	10.0
123.11664	3.7
125.09599	3.0
127.03848	4.0
127.05778	2.5
128.06178	2.6
129.06918	7.2
130.07732	3.0
131.04858	7.0
131.08568	29.3
133.06429	4.8
133.10123	22.1
134.09515	2.0
135.04353	3.5
135.08058	17.5
135.11700	11.5
136.11128	3.6
137.09526	6.1
141.06903	3.4
143.08504	3.5
144.05603	2.9
144.09302	3.4
145.06474	19.1
145.10121	54.6
146.05893	6.4
146.06973	1.7
147.07961	7.1
147.11678	44.1
149.02332	100.0
149.05902	7.1
149.06967	1.9
149.09616	11.0
149.13211	9.6
150.02585	1.8
150.09036	7.5
151.07484	3.3
157.10027	2.4
158.10753	2.6
159.04327	3.3
159.08061	14.6
159.11685	30.4
161.05908	6.4
161.09598	2.3
161.13254	18.4
162.10355	2.2
163.03836	2.8
163.07457	4.7
163.10086	1.9
163.11169	19.3
163.14825	12.1
172.08733	3.9
172.12340	2.3
173.05899	6.1
175.07504	3.0
176.04643	3.3
177.05350	5.9
177.07898	1.6
177.09102	19.5
177.12720	13.2
177.16396	8.7
178.04962	1.7
178.08620	23.4
187.07469	6.9
187.11093	6.9
187.14818	43.2
188.06964	3.9
189.09006	2.3
190.02586	2.1
190.06097	2.1
205.04840	13.3
205.06505	3.8
205.08633	22.8
205.12244	31.9
205.15761	90.1
206.08089	19.6
210.38475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03944	0.8
55.05514	5.7
55.21247	0.8
57.03430	0.7
57.07063	2.4
57.22060	0.9
60.32070	0.7
65.03941	1.8
67.05511	5.8
69.03434	0.9
69.07075	3.5
70.34589	1.9
70.34987	1.3
71.04984	2.0
79.05490	8.5
81.03439	1.0
81.07056	14.1
82.07426	0.7
83.04982	0.9
83.08611	1.6
85.02905	0.8
85.88573	0.7
91.05478	16.6
91.06020	1.4
93.07049	18.1
95.04984	1.9
95.08615	11.2
97.02906	1.5
97.06538	2.1
103.05482	1.6
105.07029	85.5
106.07362	1.4
107.08595	19.2
108.08960	0.9
109.06528	3.7
109.10162	2.2
111.08073	4.0
115.05418	1.3
117.07014	9.8
119.08578	44.2
120.08977	0.8
121.02854	1.4
121.06503	2.9
121.10117	5.8
123.08099	4.1
125.09605	1.8
128.06265	1.0
129.07022	2.5
130.07788	1.8
131.04903	1.1
131.08566	22.6
132.09364	1.1
133.10143	9.1
135.08011	2.4
135.11673	2.8
137.09581	1.2
141.06992	0.9
143.08549	1.7
144.09309	2.4
145.06503	2.3
145.10121	28.5
146.10544	0.8
147.11685	100.0
148.12029	1.8
149.02354	12.8
149.05959	5.3
149.09602	5.4
155.27240	0.8
157.10141	1.6
158.10881	1.0
159.08067	1.3
159.11700	33.4
160.12027	1.1
161.13272	5.8
163.07573	2.6
163.11156	3.2
163.14810	2.2
169.10222	1.2
172.12508	1.7
177.12750	2.9
187.11241	3.7
187.14822	58.0
188.15138	2.1
193.22894	0.8
205.04903	1.5
205.08794	2.0
205.12350	7.9
205.15883	44.4
206.16295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03926	1.6
55.01858	3.2
55.05499	3.0
65.03928	1.5
67.05502	10.3
69.03404	1.2
69.07036	1.7
71.08252	1.7
72.30524	0.6
75.87687	0.6
79.05050	1.0
79.05486	14.8
81.07049	15.6
83.04961	1.5
83.07268	0.6
89.03941	0.6
91.05474	37.9
93.03372	0.7
93.07042	10.9
95.04945	2.7
95.08607	4.8
97.06499	1.1
103.05455	5.2
105.07025	38.6
106.07346	0.9
107.04950	1.9
107.08592	3.6
109.06517	1.1
110.69703	0.6
111.04417	0.7
115.05466	4.1
116.06217	2.1
117.07010	29.1
118.07381	0.8
119.04937	0.7
119.08572	14.9
119.27090	0.6
121.06520	3.0
121.10131	0.9
123.04399	1.1
125.05952	1.7
128.06213	4.8
129.07016	9.1
130.07811	3.1
131.04890	1.5
131.08563	53.2
132.08896	1.2
133.10123	61.5
134.10429	1.9
135.04417	5.8
135.08075	1.0
137.05974	1.2
141.06982	7.7
142.07767	2.1
143.08543	6.8
144.05612	0.6
144.09332	10.6
145.06506	5.2
145.10107	5.6
149.05972	4.6
149.09642	0.8
151.07509	0.8
153.06973	2.8
154.07771	11.7
157.10120	2.8
158.07275	0.9
159.08113	4.9
159.11682	100.0
160.12021	3.3
161.13329	0.9
163.07498	3.6
167.08562	1.2
168.09366	0.7
169.10118	21.1
170.10374	0.7
172.08775	1.1
177.09158	4.9
177.12756	2.6
187.11171	53.2
188.11502	2.2
199.47475	0.6
205.08583	1.1
205.12244	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	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03940	2.0
55.05507	5.6
57.07074	2.5
65.03936	2.2
67.05504	6.4
69.03431	1.6
69.07063	7.6
69.52115	6.7
71.04985	0.7
77.03915	0.8
79.05488	7.8
81.03418	0.8
81.07058	6.3
83.04981	1.3
83.08614	2.6
85.02896	1.6
85.04792	0.9
91.05476	17.9
93.03397	0.9
93.07039	7.4
95.04970	2.5
95.08616	3.6
97.02891	1.6
97.06485	0.9
98.03201	0.9
98.20740	1.3
99.04463	0.9
103.05469	5.5
105.07026	57.1
106.07341	1.0
107.04939	2.3
107.08587	7.0
109.06490	1.9
111.04432	3.3
115.05438	3.2
116.06217	0.9
116.19198	0.7
117.07011	31.6
119.08576	26.5
119.09449	0.9
121.02868	1.6
121.06526	3.4
121.10124	3.3
123.08047	0.7
123.55738	0.6
125.05971	2.0
128.06230	2.5
129.06990	7.8
130.07758	2.9
131.04918	3.9
131.08559	23.6
133.06474	1.3
133.09224	1.2
133.10130	13.5
135.04401	5.8
135.08051	1.7
135.11679	1.5
137.05983	1.5
138.71556	0.7
141.06927	0.9
142.07748	1.0
143.08563	2.2
144.09335	13.8
145.06494	5.1
145.10132	9.3
147.08031	1.0
147.11673	1.2
149.02342	15.0
149.05975	26.7
149.13280	0.9
154.07709	1.0
157.10149	2.8
159.08044	2.6
159.11685	100.0
160.12074	2.7
161.13225	6.1
162.10536	0.7
163.07527	7.2
163.11205	1.1
169.10130	3.3
172.08788	1.9
177.09132	1.7
177.12758	4.7
186.93724	0.8
187.11183	18.5
188.11566	0.9
190.09860	0.8
203.53935	0.7
205.04916	1.8
205.08665	1.9
205.12225	59.3
205.15877	3.5
206.12532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02365	1.8
53.03934	4.0
54.13412	1.1
55.01856	4.1
55.05507	7.2
56.96547	3.3
57.03431	2.2
57.07071	8.1
57.91343	1.4
60.04515	1.9
65.03944	5.8
67.05167	1.6
67.05500	23.8
68.34814	1.1
69.03411	6.1
69.07063	9.8
71.04980	4.4
71.64751	1.9
75.33073	1.1
79.05492	23.4
81.03402	4.9
81.07056	34.4
83.04992	8.5
83.08606	1.9
84.04494	3.0
85.02894	4.2
85.04848	2.2
91.05476	56.1
93.03378	1.9
93.07038	26.6
94.07365	1.8
95.04357	2.1
95.04962	30.3
95.08598	15.9
97.02889	6.0
97.04828	1.7
97.06521	2.6
98.03213	1.8
99.04433	1.8
103.05457	11.2
105.07027	58.5
107.04965	5.2
107.08581	22.9
109.02850	3.1
109.06515	3.8
109.10149	17.0
111.04425	3.4
111.08055	1.5
115.05422	13.2
116.06242	3.1
117.06216	2.6
117.07018	47.9
119.04925	3.0
119.08574	33.4
121.02879	8.1
121.03660	1.6
121.06519	8.0
121.10143	15.2
123.04408	2.1
123.08069	4.3
123.11715	3.2
125.05991	3.2
127.05917	1.8
128.06186	4.0
129.06985	14.1
130.07826	5.8
131.04918	12.1
131.08562	69.5
132.05714	1.2
132.08966	1.3
133.06464	3.4
133.10123	67.4
135.04399	4.3
135.08020	6.7
135.11673	8.5
137.05988	5.9
141.06973	6.1
142.07793	2.6
143.08563	8.4
144.05745	1.8
144.09332	12.3
145.06493	27.0
145.10124	29.5
147.04385	1.8
147.08031	11.5
147.11684	7.7
148.05156	2.4
149.02332	49.4
149.05972	12.6
149.09596	5.3
149.13234	5.5
150.02701	1.5
154.07724	9.4
155.06021	3.2
157.06516	1.4
157.10115	4.4
158.07272	2.1
159.04427	2.1
159.08049	14.7
159.11690	100.0
160.12053	2.8
161.05939	2.6
161.09644	4.7
161.13234	5.5
162.10374	1.8
163.03922	1.7
163.07545	21.6
163.11134	8.7
163.14796	2.4
169.10149	14.3
172.08868	2.8
173.05968	7.7
175.07483	2.1
177.05460	1.9
177.09137	10.2
177.12730	8.5
177.16412	1.7
181.97861	1.3
187.03900	1.4
187.07658	7.6
187.11168	57.4
187.14783	7.2
190.06282	2.0
190.09895	3.5
205.04962	5.4
205.08592	24.7
205.12247	75.1
205.14005	4.4
205.15819	28.9
205.19556	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	205.1587
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03944	1.9
55.01862	1.1
55.05509	7.3
57.03429	2.2
57.07074	5.7
61.02891	1.3
65.03934	2.7
67.05501	10.5
69.03077	1.3
69.03426	16.8
69.07068	8.0
69.98874	2.0
69.99277	2.4
71.04970	2.5
79.05486	12.6
81.03416	1.5
81.07057	19.7
82.07381	1.0
83.04971	2.8
83.08611	3.1
84.04459	0.9
85.02888	2.6
85.04842	0.9
85.06544	1.7
91.05476	22.1
93.03458	1.1
93.07040	44.6
94.07394	0.9
95.04966	6.5
95.08602	20.2
97.02884	2.3
97.06521	5.2
97.10149	1.4
99.04433	1.2
103.05420	1.9
105.04500	1.3
105.07028	38.8
106.07309	1.1
107.04960	2.1
107.08589	29.1
109.02869	1.1
109.06509	3.5
109.10150	7.2
111.04412	1.2
111.08097	3.7
113.13738	0.8
115.05473	2.3
117.07009	13.4
119.08582	26.8
121.02899	4.6
121.03780	0.8
121.06506	8.0
121.10136	100.0
122.10449	1.4
123.08046	6.5
123.11676	1.4
125.09594	1.6
127.05898	1.8
128.06248	1.5
129.06981	4.0
130.07784	2.5
131.04926	1.1
131.08565	27.3
132.08911	1.0
133.10127	17.7
135.08049	7.7
135.11693	9.8
137.05948	0.9
137.09586	2.4
141.06944	0.9
143.08545	3.1
144.09314	5.7
144.96104	0.8
145.06509	4.0
145.10112	26.1
147.07956	2.4
147.11678	14.6
147.73808	0.8
149.02339	29.9
149.05992	2.4
149.09598	6.4
149.13260	3.3
154.07803	1.2
157.10170	2.2
158.10941	1.4
159.08015	2.2
159.11694	33.0
161.09641	1.0
161.13249	10.5
163.11180	6.7
163.14822	5.1
169.10138	3.1
177.05414	0.8
177.09174	1.3
177.12784	3.9
177.16417	9.9
187.11208	8.1
187.14819	24.8
205.04889	3.0
205.08716	4.5
205.12325	18.1
205.15886	62.0
206.08134	1.4
206.16275	1.0
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
55.01887	0.5
56.96567	1.0
57.07076	3.3
59.05017	0.5
60.04513	1.5
61.04838	0.5
65.03944	1.2
67.05506	0.9
69.03420	1.9
69.07066	0.6
71.53487	1.2
74.02422	1.4
79.05486	1.2
81.03407	0.8
81.07053	1.8
83.05013	0.6
85.02905	1.2
90.10670	0.5
91.05473	4.0
93.07024	1.9
95.08588	1.7
96.04463	0.8
97.02876	2.3
97.04846	0.9
97.08662	0.5
98.03219	0.7
99.04460	0.5
103.05489	0.9
105.07037	2.3
107.04987	0.6
107.08587	1.7
109.02891	1.4
109.10161	0.6
114.05511	0.5
115.05383	3.6
117.05728	1.5
117.06992	4.4
118.06535	44.0
119.08582	1.4
121.02873	3.4
121.06503	1.7
121.10136	2.5
123.04453	0.6
126.05470	0.6
127.05832	1.5
129.06989	0.6
130.06525	2.9
131.04958	0.5
131.08568	1.3
132.08086	11.2
132.09097	0.6
133.10135	1.3
135.11694	0.9
142.06511	5.1
143.07289	6.8
143.08397	0.9
144.08084	21.8
145.06479	1.8
145.10106	1.8
146.06001	100.0
147.06377	1.3
149.02330	19.4
149.13248	1.4
159.08061	1.0
159.09186	10.5
159.11665	2.9
160.07571	1.8
170.05992	7.5
177.05505	1.1
177.12767	0.6
178.04964	0.6
187.11168	1.2
188.07059	91.7
189.07404	1.3
205.04945	1.7
205.08784	2.4
205.12242	2.9
205.15904	1.4
205.19455	1.0
206.04533	0.8
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	Tenuifolene
Peak:m/z	Relative Intensity
55.05500	7.9
62.65912	1.0
67.05165	1.3
67.05496	22.4
69.07063	12.7
71.08603	0.9
71.10646	2.5
74.06351	1.1
79.05489	10.0
81.07047	41.2
83.08595	3.4
91.05467	17.7
93.07035	21.0
95.08598	72.2
95.88355	0.9
97.10108	1.2
105.07020	79.0
107.07851	1.4
107.08585	37.3
109.10147	50.2
109.10903	2.4
115.57975	1.1
117.06996	2.2
119.08570	52.0
121.10127	18.9
123.11690	8.8
125.01382	1.0
126.05471	1.0
127.43084	1.2
131.08548	5.0
133.10109	44.0
134.10381	1.0
135.11656	4.1
145.10123	7.1
147.11670	88.9
148.12036	1.8
159.11685	3.2
160.12473	3.0
161.11954	1.3
161.13240	21.7
163.24055	1.0
175.14819	10.4
178.05826	0.9
203.17935	100.0
204.18285	2.7
205.64705	1.0
213.17464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07119	0.4
56.05051	0.5
57.07106	0.3
60.04523	5.8
61.02950	0.6
61.19982	0.4
63.31234	0.3
65.03086	0.4
67.13872	0.5
68.05019	2.6
69.03438	0.7
69.07088	0.4
70.26034	0.4
70.41161	1.7
70.56960	0.4
76.90817	0.4
81.07080	0.9
82.07408	0.6
84.04504	5.3
85.02922	1.5
91.05506	1.5
93.07033	0.5
94.07413	0.6
95.08610	0.5
96.04482	4.0
97.02890	5.4
98.06076	0.7
101.34131	0.4
103.05495	1.3
105.07030	3.6
107.08608	0.8
109.02899	0.6
110.06069	1.3
114.05531	3.6
115.05441	6.5
116.06234	6.5
117.07037	1.7
119.08588	0.9
120.08909	0.5
121.10091	0.6
126.05520	6.8
127.03902	0.6
128.06219	1.5
129.06999	2.9
130.07761	0.4
131.04935	3.4
131.08578	0.8
133.06503	1.7
138.05505	1.2
143.04890	2.6
144.05687	3.3
144.06563	0.6
145.06480	5.6
146.07307	2.0
146.10497	0.6
147.11694	0.6
148.12033	0.6
149.02345	1.9
149.05965	0.6
157.06503	2.6
158.07181	1.0
159.04414	2.9
159.11702	0.6
161.05975	61.8
162.06387	0.9
168.06577	0.7
171.04422	0.9
172.05197	1.9
173.05965	4.5
174.06734	7.1
175.07484	0.8
186.07666	0.4
187.07585	0.4
187.14703	0.5
188.10683	0.6
189.05466	28.8
189.11456	1.1
190.05812	0.6
204.07800	100.0
204.13800	7.7
204.18228	1.9
205.04895	0.4
205.06851	0.4
205.08195	3.9
205.12273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01231	0.8
50.30499	0.8
50.44155	0.9
53.03936	2.3
55.01868	5.2
55.05507	4.1
56.05025	1.3
56.96562	100.0
57.03440	11.5
57.07072	8.4
58.06596	1.8
58.99873	1.3
59.04992	2.5
60.04533	4.4
60.05630	1.4
60.95847	2.3
61.01140	0.8
61.02925	9.8
61.04866	1.4
63.92931	1.3
65.03938	2.9
66.56964	0.7
67.05499	3.8
68.05017	3.7
69.03424	21.8
69.05341	1.8
69.07056	3.0
69.62277	0.8
70.03759	1.5
70.04750	4.7
70.06589	3.3
70.74973	0.9
70.98119	4.2
71.01340	1.6
71.05009	4.5
71.95251	2.8
72.04504	1.2
72.08150	4.9
73.02917	13.1
74.06071	2.3
74.97602	4.5
75.04459	2.3
77.00878	1.4
78.95280	5.2
79.05492	3.3
80.60441	1.0
81.03417	10.7
81.07044	4.6
82.06544	0.8
83.00790	0.9
83.04970	3.0
83.08620	0.9
83.99709	0.8
84.04503	2.6
84.08128	3.4
84.96031	5.9
85.02901	25.7
85.04832	1.7
85.06539	0.9
86.03205	1.8
86.03680	1.3
86.06049	1.0
86.09689	2.4
87.04463	10.1
88.99152	3.2
89.00777	1.2
89.03936	1.2
90.05589	0.8
91.05483	3.9
92.01297	2.2
93.03386	1.5
93.07028	4.4
95.00735	1.0
95.04964	4.6
95.08602	3.4
96.04491	2.9
97.02383	1.3
97.02886	29.7
97.04842	2.3
97.96806	2.8
97.99168	1.1
98.01334	1.9
98.03205	4.3
98.97579	40.0
99.04459	5.4
100.02499	4.2
100.07616	1.9
100.99145	2.2
101.00848	1.5
102.96976	1.0
103.02400	1.4
103.05482	2.0
104.01323	1.2
104.90819	1.4
105.02034	1.5
105.07001	4.1
107.01829	1.6
107.04952	5.6
107.08604	4.5
108.01536	1.6
109.02894	4.9
109.06506	1.0
109.10139	2.6
110.01284	3.5
110.03076	2.1
110.07136	1.7
110.97562	6.3
111.04423	2.3
111.06368	1.2
112.99128	1.7
113.00886	1.9
113.05978	1.2
114.05521	2.1
114.06811	1.7
115.02324	1.3
115.03925	3.4
115.05851	3.5
115.97833	2.3
116.98616	37.7
117.02000	3.3
117.06995	2.3
118.01015	1.6
118.03517	3.6
118.08631	1.0
119.00188	6.2
119.01096	1.3
119.01861	12.0
119.04926	1.1
119.08578	2.1
119.97908	6.3
120.08125	2.0
120.97955	2.0
121.01642	4.4
121.02880	6.2
121.06506	6.4
121.10150	4.1
122.01283	1.4
122.94222	3.2
123.02051	1.2
123.04424	8.4
126.02565	3.3
127.00593	0.8
127.01519	1.1
127.03930	5.9
127.05876	3.5
128.02278	4.8
128.07062	1.0
128.98596	11.8
129.02075	1.2
131.00232	5.3
131.01898	18.3
131.08569	2.5
133.01648	4.7
133.03413	3.0
133.10205	1.2
134.99649	28.7
135.03090	5.7
135.04478	0.9
135.08011	1.0
135.11700	1.9
136.06181	1.3
136.07567	1.0
137.01205	3.6
137.02898	3.9
137.05971	2.7
138.02620	1.1
138.99001	0.9
139.00624	1.0
139.01634	1.3
139.02606	1.2
139.05864	1.2
140.00209	1.7
140.07060	2.6
140.95251	1.9
140.98598	2.0
142.03677	1.0
143.00163	3.2
144.98058	2.7
145.01630	3.8
145.03412	2.7
145.05049	1.0
145.06500	1.5
145.10097	2.2
146.05968	1.0
146.99655	16.0
147.03165	2.7
147.04344	1.0
147.06702	0.9
148.01883	1.0
148.03854	8.4
148.54002	0.9
149.01205	6.0
149.02222	39.2
149.05942	4.2
149.09552	1.2
149.13239	2.7
150.00760	1.5
150.99138	1.8
151.02756	3.3
151.04424	1.0
152.02248	1.0
153.00665	4.2
154.02042	3.0
154.03503	19.0
154.06375	0.8
155.00121	2.8
157.01582	1.8
157.04472	4.7
158.01273	2.1
158.96294	4.6
158.99652	6.7
159.01320	1.2
159.03232	2.2
159.05130	1.4
159.08020	1.6
159.11743	3.0
159.13167	1.0
159.54695	1.5
161.01210	7.7
161.02890	3.5
162.03496	1.1
162.99127	3.5
163.02753	11.5
163.03993	3.8
163.11154	1.4
163.96809	5.8
164.02188	1.1
165.00720	6.8
166.02097	1.3
167.02103	2.4
169.06798	1.5
170.03403	1.6
170.99680	2.3
171.03047	0.9
172.03084	1.7
172.04546	12.2
173.01241	6.3
173.02686	1.7
174.99101	3.3
175.02719	6.4
175.04285	1.7
177.00734	11.2
177.02272	1.6
177.04129	1.6
177.06053	2.5
177.12730	2.6
179.02246	3.1
179.03636	1.3
181.00226	5.3
181.01631	1.3
181.03806	5.7
181.05280	1.2
181.97903	9.6
182.02982	3.5
182.06651	3.4
182.99683	3.0
183.01663	1.2
185.01274	1.4
185.02898	1.5
187.02635	1.0
187.04268	1.0
187.11185	1.5
187.14841	0.9
188.09254	2.7
189.00703	3.5
189.02322	1.3
189.04277	1.2
190.04936	1.3
190.98538	1.6
191.02228	4.1
191.03862	0.9
193.00185	3.2
193.01779	1.0
193.04057	1.8
195.01704	1.3
197.01227	5.5
197.03085	1.7
199.01167	4.2
199.02866	1.4
199.04428	1.0
200.02357	1.5
200.04129	1.8
200.07680	2.1
201.00743	14.9
201.02541	2.0
203.02249	2.0
203.03969	1.1
204.05447	1.4
205.00050	2.0
205.05405	5.7
205.08705	5.3
205.11967	5.5
205.13809	2.2
205.15881	2.7
205.19673	1.5
206.08351	1.2
207.01810	1.2
211.02791	2.5
212.02351	1.3
215.02254	1.7
219.01741	10.6
220.02232	1.2
223.01089	4.9
223.04735	1.9
224.02332	1.1
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	Tenuifolene
Peak:m/z	Relative Intensity
55.05511	9.8
62.21746	1.0
67.05499	23.7
69.07063	13.9
70.32755	4.0
79.05489	10.8
81.07053	34.4
83.08598	2.9
84.04475	2.4
88.42041	1.0
88.48177	1.0
91.05475	15.6
93.07043	23.8
95.08598	79.2
96.04461	1.5
97.10146	1.3
98.20744	1.4
98.64215	1.2
105.07022	65.4
107.08586	39.7
109.10149	57.7
109.10919	2.5
117.07004	2.8
119.08575	58.2
121.10125	17.3
123.11687	14.4
126.05496	3.3
129.06979	1.7
131.08557	8.5
133.10118	36.1
133.37297	1.2
135.11664	3.4
142.07758	2.8
143.08533	1.5
145.10124	8.5
147.11676	100.0
147.58302	1.3
148.12160	1.9
157.10103	3.7
159.11679	4.1
160.12473	4.2
161.13252	17.5
173.13237	1.5
175.14796	5.3
203.10677	1.5
203.17941	90.5
204.18320	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03926	1.0
55.05504	5.4
58.87357	0.7
60.04502	0.8
65.03947	0.9
67.05504	20.3
69.07064	7.7
69.80006	1.8
69.80413	3.3
79.05492	8.5
79.26685	0.8
81.07053	51.9
83.08624	1.7
84.04490	1.3
87.95312	0.7
91.05474	14.9
93.06479	1.2
93.07043	20.5
95.04967	1.9
95.08603	74.9
96.08913	1.1
105.07029	40.2
106.07378	0.7
107.08592	45.8
109.10155	47.4
114.05508	1.4
115.05437	1.6
116.06213	0.7
117.07018	3.8
119.08576	28.1
120.40948	0.8
121.10146	16.6
123.11699	8.6
126.05502	1.3
129.06995	0.8
131.08560	2.8
133.10129	24.8
135.11664	2.4
142.07768	2.1
143.08563	1.4
144.48320	0.8
145.06465	1.7
145.10120	3.4
147.08035	1.1
147.11685	49.8
148.12187	0.9
157.06511	1.0
157.10130	3.1
159.08125	0.9
159.11719	2.3
160.08797	1.0
160.12386	0.9
161.05951	1.5
161.09639	2.0
161.13268	13.5
162.06728	0.9
175.07578	4.2
175.11194	3.3
175.14818	9.3
179.41423	0.8
185.09583	0.9
188.08315	1.1
203.06995	1.7
203.10640	10.5
203.17957	100.0
204.18306	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03938	1.5
55.05510	8.6
57.07063	2.5
65.30124	0.8
65.32988	0.9
67.05504	16.4
67.35886	0.9
69.07058	14.5
71.44359	1.7
77.03880	0.9
79.05133	0.8
79.05498	10.1
81.07055	59.1
82.24585	0.9
83.08630	4.2
85.96957	1.0
91.05472	13.3
93.07042	21.0
95.04964	1.0
95.08603	56.0
97.10171	1.0
105.07028	57.7
107.08588	32.2
109.06464	1.4
109.10152	41.5
117.06983	2.5
119.08578	45.2
121.10141	15.9
123.11712	6.4
131.08578	3.8
133.10130	42.5
135.11691	5.0
145.10133	7.7
146.10939	1.1
147.11681	77.0
159.11685	5.1
160.12447	3.4
161.13263	19.7
174.13962	1.1
175.14841	7.5
203.17949	100.0
204.18295	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
52.76616	0.9
53.03933	2.1
54.38622	1.1
55.05506	15.2
57.07053	4.1
58.97931	1.1
60.04516	1.2
67.05166	1.3
67.05500	16.6
67.79344	1.1
69.03421	1.2
69.07067	44.0
70.01854	3.6
70.02272	3.0
79.05488	11.0
81.07056	63.0
83.08620	21.5
84.04491	2.2
91.05482	16.6
93.07047	25.1
95.04971	1.5
95.08602	58.8
96.04454	1.2
103.05448	1.1
105.07030	81.6
106.07301	1.6
107.08589	34.8
109.06521	1.1
109.10153	41.3
117.07000	3.6
118.07827	1.6
119.08578	63.6
121.10134	22.9
123.11703	12.6
126.05499	2.1
129.07005	1.4
131.08578	6.4
133.10126	52.8
135.11713	10.5
145.10123	13.0
146.10849	1.6
147.11684	100.0
149.95074	1.1
157.10127	1.7
159.11665	3.5
160.12445	11.9
161.13263	26.2
175.14810	5.7
203.14261	3.9
203.17947	88.9
204.18320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03909	1.8
55.05511	12.7
57.07059	2.7
65.03919	1.8
66.70042	0.9
67.05167	1.7
67.05498	27.5
69.07066	12.8
70.69504	2.4
70.69903	2.5
72.21368	0.9
79.05479	14.8
81.07049	53.3
83.08614	5.5
84.54958	1.1
91.05472	19.7
93.07034	30.4
95.08597	79.7
96.00827	1.1
97.10128	2.0
103.05482	1.1
105.07020	70.2
107.07851	1.8
107.08585	45.5
109.10146	57.3
110.46970	1.0
115.05466	1.1
117.06942	1.4
117.97443	1.1
119.08568	52.2
120.08779	1.1
121.09299	2.1
121.10128	26.4
123.11683	9.1
124.81929	1.2
126.05493	1.5
131.08543	4.7
133.10118	50.2
135.11687	6.7
143.08569	1.3
145.10104	3.7
147.11673	67.1
148.12137	0.9
159.11688	3.9
160.12451	2.5
161.09666	1.4
161.13249	28.6
175.14795	10.9
203.17937	100.0
204.18314	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
54.74306	1.0
55.05501	7.0
57.07072	1.3
57.23685	1.0
67.05164	1.7
67.05499	23.8
68.63420	1.0
69.07066	9.0
69.95298	5.6
79.05489	15.5
81.07053	47.0
83.08605	3.3
91.05475	17.9
93.07043	31.7
95.04961	1.6
95.08601	73.3
96.08878	1.0
98.21568	1.3
105.07024	45.8
107.08588	52.1
108.82887	0.9
109.06519	1.4
109.10149	44.0
117.06968	1.4
119.08576	32.9
121.10137	29.6
123.11688	7.7
131.08572	1.5
133.10129	29.1
135.11725	4.8
139.60614	1.0
143.93684	1.0
145.10127	2.6
147.11678	57.4
159.11665	2.0
161.13235	17.3
175.14789	8.6
175.85257	1.1
187.77507	1.0
203.17940	100.0
204.18289	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03926	1.2
55.05511	7.7
57.07068	1.9
61.55148	0.9
67.05167	1.3
67.05504	21.8
68.33807	0.9
69.07066	9.8
70.34635	3.6
79.05497	9.0
81.07053	49.6
83.08612	3.2
90.75761	0.7
91.05475	14.7
93.07049	20.0
95.04934	1.0
95.08606	83.0
97.10166	1.7
105.07027	50.0
106.07346	0.9
107.08591	48.0
109.10153	55.1
117.06961	0.9
119.08574	45.2
121.09299	1.6
121.10143	24.6
123.11698	10.5
131.08568	2.2
133.10130	41.1
134.10481	0.9
135.11723	5.8
142.12076	0.8
145.10121	2.7
146.10898	1.7
147.11684	67.4
148.12340	1.1
159.11693	3.0
160.12451	1.7
161.13246	23.5
174.13991	1.3
175.14807	9.9
188.15427	0.8
203.17952	100.0
204.18362	1.5
217.80829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03957	1.2
55.05505	8.7
55.33068	0.9
64.00049	0.9
64.55455	0.9
65.03922	1.1
67.05503	32.0
69.07067	10.5
70.58711	3.0
70.59126	2.0
79.05497	15.5
81.07059	42.8
83.08607	3.1
91.05477	19.7
93.07043	28.9
95.04925	1.7
95.08605	79.1
97.10161	1.0
105.07030	51.7
107.08594	54.9
109.06536	1.4
109.10155	49.1
117.06995	2.3
119.08579	36.9
121.10141	25.5
123.11701	8.4
129.06854	1.0
131.08528	2.4
133.10132	32.6
135.11691	6.6
145.10091	2.9
147.11682	70.7
159.11707	2.0
161.13229	16.4
175.14839	9.0
203.17958	100.0
204.08565	0.9
204.18297	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	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03932	1.7
55.05510	5.5
57.07065	0.7
60.63969	0.5
65.03924	1.2
67.05501	21.9
69.02728	0.5
69.07066	8.1
70.45289	2.0
79.05488	10.4
81.07053	51.4
82.07375	0.8
83.08627	1.3
87.95149	0.5
91.05468	12.5
91.06001	0.9
93.06458	1.3
93.07039	22.8
95.04971	1.2
95.08601	80.7
96.08983	0.6
97.10144	1.4
105.07024	41.3
107.08591	50.8
108.08918	0.8
109.06527	1.0
109.10152	47.6
111.11652	0.6
117.06998	0.7
119.08575	30.6
121.10136	20.0
123.11692	7.7
131.08563	1.2
133.10118	25.4
133.97438	0.6
134.10548	0.9
135.11638	2.9
145.10104	2.1
147.11679	50.4
148.12132	0.9
159.11673	1.9
161.13237	13.4
175.14821	9.7
203.17946	100.0
204.18311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.45160	1.0
54.29101	0.9
55.05501	7.4
57.07067	1.0
60.02974	0.9
65.03928	1.1
67.05502	21.8
69.07066	9.4
72.05013	0.8
75.54162	0.8
77.03914	1.0
79.05484	14.3
81.07053	41.8
83.08607	1.6
83.46464	0.9
89.12778	1.0
91.05476	17.0
93.07042	23.4
95.08603	78.3
97.10140	1.2
98.20641	2.0
105.07027	46.4
107.08587	44.4
109.10152	48.6
117.07006	1.3
119.08579	32.5
121.09320	1.5
121.10141	17.8
123.11692	6.8
131.08563	3.0
132.09464	0.9
133.10130	29.7
135.11694	3.3
135.49136	0.9
145.10071	1.7
147.11681	87.2
159.11699	1.6
160.12491	1.1
161.13251	15.1
171.83035	1.0
175.14813	7.9
175.65973	1.0
203.17950	100.0
204.18323	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42852	0.8
53.03941	2.6
55.01866	2.2
55.05299	0.8
55.05511	8.4
57.03418	1.3
57.56123	1.0
66.18891	0.9
67.05502	10.3
69.03407	3.9
69.07058	7.0
70.06524	0.9
70.50923	2.2
70.51308	3.2
71.04961	3.0
77.03891	1.3
79.05491	13.3
81.06590	1.6
81.07057	31.3
83.04976	7.7
83.08582	2.0
84.04474	1.4
91.04902	1.5
91.05478	30.7
93.07043	29.3
94.07320	1.0
95.04971	7.9
95.08604	29.9
97.02872	1.3
97.06535	4.6
104.62523	1.1
105.07029	61.6
106.07328	1.7
107.04961	1.4
107.08595	26.6
109.06522	7.3
109.10160	7.8
111.08108	5.2
114.05527	1.1
115.05443	2.4
117.07023	19.5
119.04952	2.4
119.08576	48.5
120.08880	1.6
121.06509	20.3
121.10129	11.4
123.08054	4.4
123.11655	1.6
126.05464	1.7
128.06215	7.9
129.07022	12.2
130.07768	3.4
131.08575	16.2
133.06461	3.5
133.10129	33.2
135.08025	3.3
135.11671	1.5
141.06955	3.9
142.07787	20.0
143.08565	31.3
144.09348	5.8
145.10123	31.1
146.10449	1.6
147.08038	9.3
147.11681	22.0
148.08740	1.3
149.09637	1.2
155.08562	2.3
156.09309	4.2
157.10133	41.7
158.10466	1.6
159.11684	32.2
161.09634	12.9
161.13274	21.9
170.10953	6.5
170.35968	1.0
173.13177	1.3
175.07611	1.1
175.11197	9.7
175.14835	22.5
185.09694	6.2
185.13260	43.7
186.13586	1.7
188.11938	1.3
203.10699	8.7
203.14310	100.0
203.17953	20.1
204.14601	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	203.143
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
51.02383	1.3
53.03934	1.4
55.01857	1.6
55.05505	6.4
56.92246	1.3
62.79193	1.0
67.05502	9.3
69.03407	3.4
69.07072	5.9
71.01308	2.6
71.01680	2.9
71.04984	2.6
79.05485	11.5
81.07048	21.3
83.04961	1.3
84.04482	5.1
85.02887	1.8
91.05479	30.8
93.07039	20.9
95.04959	4.6
95.08604	20.1
96.04472	3.2
97.02855	3.7
97.03427	1.2
97.06529	2.0
103.05466	2.9
105.07022	55.4
106.07337	1.5
107.04933	1.8
107.08600	15.4
107.24744	1.2
108.16963	1.2
109.06511	5.9
109.10139	7.0
110.06093	1.6
111.08073	1.4
114.05515	3.3
115.05427	8.1
117.07011	21.9
119.04922	2.2
119.08574	44.0
120.08881	2.0
121.06503	4.2
121.10131	7.2
123.08053	4.9
123.11720	1.4
126.05517	6.0
128.06218	25.1
129.07005	29.4
130.07803	6.5
131.08557	30.6
133.06508	3.7
133.10124	28.0
133.11017	1.1
135.08049	3.1
135.11621	1.3
141.07033	5.6
142.07773	31.6
143.08554	55.9
144.09354	7.7
145.06493	4.4
145.09029	2.6
145.10121	40.3
146.10565	1.1
147.08052	14.9
147.11673	17.4
155.08557	3.5
155.80072	1.1
156.09302	5.2
157.10120	70.6
158.10463	2.7
159.08110	2.7
159.11679	23.9
160.08873	2.3
161.05991	2.3
161.09624	15.5
161.13310	10.7
170.10982	6.9
173.13254	2.9
175.07645	1.8
175.11198	12.2
175.14876	11.5
181.16017	1.1
185.09680	7.2
185.13255	68.1
186.13594	2.8
188.08353	3.1
189.11478	1.5
203.06972	2.7
203.10695	33.6
203.14319	100.0
203.17999	13.2
204.08693	2.7
204.14491	4.0
222.63814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1502
Annotation	SDMA
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	2.4
55.03013	0.6
55.05507	1.1
56.05030	2.0
56.96563	9.1
57.03434	6.9
57.04535	0.8
58.99852	0.8
59.05005	1.7
60.04523	4.3
60.08167	0.6
61.02932	3.7
67.05492	1.1
68.05027	1.8
69.03428	4.6
69.07069	1.6
69.49857	6.4
70.06589	100.0
70.99861	0.8
71.05003	5.7
71.06112	27.5
71.06922	1.2
72.08150	18.2
73.02916	8.2
74.06063	1.1
77.00893	0.8
81.03418	3.3
82.99845	0.8
83.04982	0.8
84.04496	1.9
84.08128	3.3
84.96056	0.8
85.02905	11.2
86.06071	0.9
86.09701	16.9
87.04449	1.5
88.08754	34.7
94.02676	1.1
96.04494	2.4
97.02882	7.1
97.07627	1.1
97.11427	0.7
98.06046	2.4
98.21561	1.3
98.97586	6.6
99.04449	2.3
100.02502	1.0
100.07589	2.0
101.00876	11.0
102.01015	0.7
102.02431	1.1
102.05482	0.9
103.02431	0.7
106.02687	1.0
107.01834	0.8
109.02869	1.5
110.01350	0.8
110.97533	0.9
111.02928	2.0
112.07585	1.2
112.08722	1.9
112.11262	1.1
113.00877	1.2
114.05512	3.6
115.02420	1.1
115.03210	1.1
115.08706	3.6
116.07087	43.3
116.98600	3.9
117.02855	0.7
117.52905	0.6
119.01914	27.9
119.08530	0.7
120.02035	2.1
121.01625	1.8
121.08408	0.9
123.02892	1.6
126.02603	1.0
126.05508	1.7
126.09167	0.8
126.10244	0.8
127.03922	2.1
128.02322	2.0
128.98544	1.5
129.02925	0.7
129.03952	1.0
130.06483	1.8
131.00208	1.6
131.01900	7.6
132.03458	0.8
133.03450	4.3
133.09720	2.4
134.99631	1.8
135.03130	1.1
137.02936	6.2
138.03429	1.8
138.05508	0.9
139.02483	1.0
140.07030	1.6
140.14345	2.2
142.03540	1.2
143.01910	9.8
144.03455	1.0
144.06578	2.1
144.10255	0.9
145.03427	2.5
147.01357	1.6
147.04012	1.5
147.05061	0.9
149.01213	1.4
149.02913	1.4
153.03986	2.0
155.01918	4.1
157.03444	7.4
157.07613	1.8
157.09679	0.9
158.09245	5.6
158.12894	28.0
159.03824	0.7
159.05054	1.2
161.02951	31.8
162.03123	1.7
163.04492	0.8
172.10802	3.4
173.02979	9.3
174.02971	0.8
175.02896	0.8
175.04465	3.4
175.11942	1.4
177.00687	1.0
179.04089	1.3
180.05029	2.2
184.04590	0.9
185.02940	4.4
186.14915	1.0
189.00711	1.1
191.04013	1.6
192.05583	0.7
203.03894	2.2
203.05524	5.3
203.08205	1.6
203.15042	58.8
204.08737	1.9
204.13441	4.4
204.15234	1.1
215.04066	0.9
221.03247	0.8
221.05035	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	203.143
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03933	2.1
55.01850	2.1
55.05501	7.2
63.76455	0.8
65.03938	1.5
67.05505	10.8
69.03424	4.9
69.07064	6.4
69.36380	8.0
71.04993	3.9
77.03909	0.9
79.05492	13.3
81.03420	0.9
81.07053	33.3
82.07348	0.9
83.04963	3.6
83.08601	1.2
91.05477	35.4
93.06458	1.8
93.07040	36.4
95.04967	9.5
95.08604	33.3
95.09222	1.6
97.06536	4.0
103.05470	1.4
104.45406	0.8
105.07024	87.4
106.07349	1.5
107.04948	2.3
107.08591	24.9
109.06521	11.8
109.10136	2.6
109.54387	0.7
111.08078	4.9
115.05447	3.2
117.07005	18.8
119.04922	3.2
119.08575	63.9
121.05776	0.6
121.06495	28.0
121.10126	4.3
123.08066	9.3
128.06197	8.6
129.07004	14.4
130.07803	4.2
131.08566	17.1
133.06454	4.7
133.10126	31.9
134.10405	0.8
135.08034	3.4
137.91763	0.8
141.06958	4.1
142.06729	1.5
142.07768	17.4
143.08563	29.9
144.09360	8.0
145.06447	1.7
145.10114	32.3
147.08054	20.2
147.11671	12.0
148.08759	1.0
149.09598	1.2
155.08531	2.9
156.09317	3.8
157.10124	37.0
157.55489	0.9
158.10612	1.1
159.08052	2.0
159.11690	40.4
160.12164	0.9
161.09624	16.0
161.13231	23.9
162.10149	1.0
170.10895	6.7
173.13110	0.9
174.10342	1.5
175.11169	10.1
175.14807	23.3
185.09711	3.9
185.13251	44.3
186.13660	1.5
188.12071	1.3
203.10825	6.9
203.14310	100.0
204.14639	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.143
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
51.02373	0.9
53.03931	2.1
55.01868	1.7
55.05507	10.0
57.03428	1.0
60.04514	3.2
65.03928	1.3
67.05504	12.8
68.05029	1.4
69.03412	2.4
69.07069	6.7
69.60363	0.8
71.64500	1.6
79.05486	14.8
81.07057	26.7
83.04988	2.0
83.08643	1.2
84.04486	3.0
91.05476	34.0
93.07043	22.4
94.07355	1.4
95.04960	4.0
95.08605	21.1
96.04472	1.7
97.02878	2.8
97.06505	2.1
103.05451	1.8
103.48131	0.9
105.07027	50.7
106.07346	1.2
107.04942	2.8
107.08598	12.0
109.06506	4.8
109.10165	7.7
111.08105	1.9
114.05488	2.6
115.05441	7.9
116.06241	1.5
117.06202	1.7
117.07011	24.9
117.07838	1.3
119.04962	1.6
119.08578	33.0
121.06490	3.3
121.10131	5.3
123.08049	2.3
123.11710	1.0
126.05518	3.4
128.06216	24.3
129.07007	49.0
130.07840	6.2
131.08568	38.3
131.09373	0.7
132.05882	0.9
132.08968	1.3
133.06468	2.8
133.10133	22.3
135.08047	1.7
141.06990	6.4
142.07785	24.7
143.08557	86.7
144.09370	6.6
145.06465	3.6
145.10123	29.8
147.08066	7.8
147.11681	18.4
153.07021	1.0
155.06009	1.5
155.08534	7.0
156.09352	4.6
157.06445	1.6
157.10123	49.4
158.10542	2.1
159.08054	1.7
159.11703	15.2
160.05243	1.6
161.05989	1.8
161.09605	6.4
161.13240	9.0
168.09370	1.1
170.10909	5.5
171.08023	1.3
171.11694	2.4
172.12477	4.4
173.13261	37.8
174.06755	1.8
175.07564	3.3
175.11214	7.0
175.14828	22.5
176.15239	1.2
183.11705	4.2
185.09740	6.1
185.13252	100.0
186.13622	2.9
188.08327	2.4
188.11978	1.1
189.05588	1.0
202.07849	1.8
203.06989	4.0
203.08755	1.8
203.10678	19.4
203.14316	99.6
203.17928	11.8
204.08711	1.6
204.14612	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47740	4.1
53.03930	4.7
55.01862	8.3
55.05497	18.8
56.96563	8.0
57.07038	5.6
60.04527	34.1
67.05502	34.6
68.05014	17.3
69.03412	19.3
69.07051	9.5
70.06586	8.5
71.04984	8.7
71.37027	8.2
72.04497	8.3
79.05480	14.4
81.03405	10.5
81.07050	50.3
83.01322	6.1
83.08559	4.1
84.04486	16.9
85.02901	8.1
86.09689	6.2
91.05482	40.9
93.07037	34.5
95.04971	8.6
95.08034	7.8
95.08605	77.8
96.04489	26.0
97.02886	48.3
98.06053	6.9
99.04437	8.6
103.05437	9.0
105.07030	100.0
107.08585	53.7
109.06490	8.5
109.10162	29.1
110.06027	8.2
111.04424	12.6
112.11217	8.7
114.05515	18.6
115.05454	11.6
115.16253	4.6
116.75724	4.7
117.05496	11.4
117.07011	16.2
119.01965	6.5
119.03350	4.2
119.04930	5.9
119.07767	7.8
119.08572	75.0
120.96510	5.4
121.06489	10.0
121.10144	26.3
125.02357	72.3
126.05499	18.8
128.06203	11.6
129.07033	28.3
131.08577	22.2
132.05807	5.6
133.10124	54.6
138.05447	5.7
138.09158	4.4
139.03902	29.2
141.11079	5.1
142.07759	21.5
143.08589	25.8
145.06467	7.7
145.10138	26.8
147.04387	16.6
147.08043	22.0
147.11687	57.4
148.08237	4.5
152.95631	4.5
153.01764	22.6
157.06517	5.8
157.10103	38.1
159.11679	20.7
161.05960	7.8
161.09590	24.6
161.13249	22.2
168.06619	6.0
171.02876	13.1
175.07518	22.8
175.11151	12.8
175.14810	16.6
185.09595	11.9
185.13356	25.3
203.03329	19.0
203.05299	15.6
203.06815	30.9
203.10596	29.0
203.14333	73.8
203.17946	93.0
204.08675	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	203.1429
Annotation	Dehydrochamecynenol
Peak:m/z	Relative Intensity
53.03907	0.7
55.05503	4.4
67.05486	4.0
69.03410	2.8
69.07061	1.9
70.00847	4.3
75.65742	0.8
77.14669	0.7
79.05488	3.7
81.07055	7.7
85.06541	26.5
91.05473	14.0
93.07030	6.9
95.04964	2.1
95.08609	4.8
97.06518	1.9
98.21312	1.4
103.05464	2.0
105.07025	42.6
106.07379	0.9
107.08597	6.3
109.06498	2.8
115.05434	5.5
116.06239	1.7
117.07014	21.6
118.96316	0.8
119.04940	1.2
119.08575	21.6
121.06514	1.3
121.10130	3.8
123.08057	2.0
128.06216	9.5
129.07007	12.9
130.07787	18.9
131.08574	17.9
133.06482	3.3
133.10132	24.7
135.07985	1.3
141.06966	3.7
142.07770	14.7
143.08566	21.4
144.09293	2.3
145.10117	100.0
146.10429	1.8
147.08058	4.8
147.11693	6.3
155.08549	2.3
156.09322	6.0
156.13712	0.9
157.10127	27.5
158.10516	1.0
159.08081	1.9
159.11685	13.2
161.09644	8.0
161.13240	14.8
170.10905	3.8
174.10414	1.4
175.11183	4.9
175.14827	5.3
185.09633	1.5
185.13263	23.4
203.10640	3.4
203.14313	64.3
204.14647	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.3
57.07064	0.3
58.99828	1.5
59.44920	0.2
60.12326	0.2
61.09177	0.2
65.01162	0.3
66.03902	0.2
67.05497	0.5
71.16030	0.5
71.16351	0.2
77.00858	1.0
77.43660	0.2
81.07034	0.5
81.13485	0.2
82.01434	18.4
82.99841	0.2
83.01529	0.3
88.51727	0.2
89.27354	0.2
90.25514	0.2
91.05450	0.2
93.07035	0.5
95.01963	0.2
95.08604	0.8
98.97589	1.3
100.02473	100.0
101.00851	1.8
101.02525	2.0
102.02880	0.5
102.96863	0.4
103.00600	0.3
105.07008	0.8
107.08577	0.4
108.50660	0.5
109.10119	0.3
114.04037	0.2
116.98619	1.3
118.03510	68.9
119.01910	12.2
119.03581	1.1
119.08553	0.6
120.01993	2.3
120.03905	0.4
120.97849	0.4
121.01633	1.9
123.04040	3.6
125.01917	0.3
129.07034	0.3
131.01877	0.8
133.03433	0.3
133.10117	0.5
134.99698	1.1
135.03189	0.6
137.01935	0.4
137.02942	5.7
138.02998	1.0
138.51637	0.4
138.95462	0.8
139.02681	0.8
141.05067	2.9
142.03479	3.1
143.03633	1.0
144.03232	0.4
145.10120	0.8
145.98196	0.4
147.11655	0.7
148.48360	0.2
149.02995	0.3
149.06624	0.2
151.53200	0.4
153.00841	0.2
154.96873	0.6
154.98776	0.3
156.96468	1.0
156.97588	2.8
157.03464	0.9
157.10094	0.4
157.48994	0.8
157.99107	0.4
158.48882	0.4
160.04556	1.5
160.53682	0.4
161.02942	1.9
161.04659	0.8
161.09343	0.2
161.96935	1.0
162.03012	0.3
162.04271	0.4
166.03485	0.2
166.49529	0.4
168.99768	0.9
169.49254	0.3
169.99693	0.4
174.97218	0.4
174.98671	3.7
175.04515	0.4
175.99173	0.3
177.00908	0.8
178.49483	2.0
178.99533	0.8
179.00699	1.0
179.03993	1.9
179.49379	0.7
179.98035	25.7
180.03998	0.4
180.98122	0.6
185.13284	0.4
186.95969	0.3
187.50024	0.6
188.49493	0.2
188.99005	0.4
190.00298	0.4
191.49403	0.3
193.99683	0.2
194.94794	0.6
194.96576	0.5
195.46570	0.3
195.94626	0.3
195.96400	0.2
196.94446	0.5
197.46761	1.2
197.99139	79.0
198.46675	0.5
198.99260	2.0
200.00110	1.1
200.50015	1.2
202.99626	2.2
203.14223	0.4
203.18015	1.0
203.95332	1.0
204.45355	0.2
204.94984	0.3
206.45584	0.8
206.47282	0.7
206.95630	0.2
206.97401	0.5
207.47183	0.3
208.97552	1.3
209.47641	0.7
209.97501	0.5
212.00754	0.5
212.95755	0.3
214.95499	2.1
215.46103	0.6
215.95641	0.7
216.95251	0.4
220.01770	0.2
221.00500	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	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03937	3.0
55.01862	2.5
55.05265	1.1
55.05512	19.7
56.96555	1.0
57.03429	1.9
57.36406	0.8
59.05005	0.8
60.04527	5.3
61.02920	1.2
61.10448	0.8
65.03928	2.8
67.05503	15.6
68.05013	3.3
69.03429	64.1
69.07068	3.8
69.59526	6.8
70.06583	2.0
71.04973	2.0
73.02879	0.8
79.05488	12.5
81.03413	1.7
81.07054	9.9
83.04966	3.1
84.04512	4.4
84.08157	1.4
84.65788	0.8
85.02897	1.7
86.09709	1.4
91.05481	24.4
93.07048	13.0
95.04965	15.8
95.08599	10.6
96.04491	4.5
97.02886	6.7
97.06538	1.3
98.06049	1.0
98.97556	1.2
100.13862	0.8
103.05471	3.5
105.07029	100.0
106.07346	2.1
107.04932	2.4
107.08585	12.5
109.02866	0.8
109.06513	3.6
109.10149	3.2
110.06087	0.9
111.04421	1.5
112.11244	1.0
113.05997	1.5
114.05540	3.3
115.05457	5.8
116.06246	1.2
117.07005	9.4
119.04951	2.8
119.08579	50.1
121.06501	31.8
121.07203	0.5
121.10135	4.5
123.08025	1.2
125.09614	0.9
126.05501	3.7
128.06197	4.8
129.06998	13.0
129.13812	1.0
130.07805	1.9
131.04921	1.9
131.08562	8.8
132.09343	1.1
133.06490	12.8
133.10124	23.0
135.04454	1.0
135.08029	5.4
138.05505	1.1
139.11143	1.0
141.05997	0.8
141.06966	4.7
142.07780	29.5
143.08560	9.1
144.09335	1.5
145.06493	11.5
145.10121	17.7
146.07291	9.4
147.04387	5.4
147.08038	15.2
147.11679	26.3
152.06161	1.2
155.08542	5.7
156.09335	1.2
157.06468	2.2
157.10136	27.8
158.07285	7.9
159.08054	5.7
159.11694	6.7
160.05215	1.7
160.07547	1.3
160.08833	15.6
161.04849	1.2
161.05956	5.7
161.08270	1.8
161.09624	35.5
161.13235	4.1
162.09982	1.1
167.08594	0.9
167.10699	1.3
168.06555	1.0
170.07329	4.0
170.10976	1.0
172.08713	1.0
173.09599	12.4
174.06783	6.1
175.07611	7.0
175.11180	40.9
175.14828	2.4
185.09633	15.6
185.11378	1.3
185.11668	0.9
185.13190	5.2
188.08337	5.3
203.03665	3.8
203.05286	2.4
203.06975	5.2
203.10670	44.2
203.14366	14.5
203.17970	10.8
204.08656	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	201.1638
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03938	1.1
55.05513	3.5
57.86386	0.6
65.03923	0.7
67.05500	9.8
69.07065	3.6
70.77394	1.9
71.08611	0.7
73.20661	0.7
73.67532	0.6
79.05490	11.7
81.07055	29.8
83.08618	1.3
91.04895	0.7
91.05476	15.8
93.07040	21.2
95.04955	0.9
95.08604	15.0
103.05438	0.6
103.25833	0.6
105.07028	37.5
107.07862	1.2
107.08591	22.8
109.06490	0.8
109.10156	6.2
115.05428	1.4
116.06243	1.0
117.07011	15.1
119.08586	16.0
119.09435	1.0
121.10137	7.9
128.06226	2.7
129.07013	3.1
130.07777	5.0
131.08566	26.6
133.10129	10.0
135.11705	0.8
142.07805	1.0
143.08575	7.3
144.09326	3.3
145.10118	75.1
146.10933	3.8
147.11662	2.0
155.05908	0.6
155.08528	0.7
157.10088	4.2
158.10846	0.9
159.08113	0.8
159.11684	32.1
160.12404	0.6
168.09319	1.2
171.11658	2.5
172.12427	0.9
173.13269	9.6
183.11687	1.0
186.14011	2.1
186.84464	0.6
199.14905	0.9
201.12764	3.2
201.16376	100.0
202.16656	3.1
216.12953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03926	1.2
55.05064	0.5
55.05508	3.5
57.07057	1.3
65.03952	0.9
67.05215	0.6
67.05502	5.9
69.07070	5.3
69.44127	5.4
79.05486	9.2
81.07050	15.2
83.08613	0.8
90.15556	0.5
91.05473	12.1
91.53585	0.5
93.07039	17.5
95.04926	0.7
95.08605	13.9
97.78003	0.5
98.20757	1.0
103.05473	1.4
105.07025	27.9
107.08590	23.7
109.06525	0.9
109.10162	4.4
115.05444	2.5
116.06218	1.1
117.07005	13.0
119.08570	17.6
121.10132	6.9
121.17207	0.6
128.06212	3.2
129.06987	3.8
130.07787	5.3
131.08560	32.8
132.08888	0.6
133.10118	13.4
141.06949	1.1
142.07774	1.6
143.08563	12.5
144.09326	4.7
145.10114	66.3
146.10924	2.7
147.11685	1.4
155.08521	1.4
157.10115	5.1
158.10889	3.0
159.08104	1.5
159.11682	48.2
160.12094	1.5
165.73430	0.6
168.09377	1.5
171.11703	2.4
172.12421	1.6
173.13269	13.8
180.85078	0.5
183.11664	2.1
185.06224	0.5
186.14043	2.2
201.12721	8.0
201.16373	100.0
202.13068	0.6
202.16696	2.5
224.52113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03931	1.0
55.01859	1.0
55.05499	4.0
57.07057	2.4
64.24515	1.0
67.05501	7.9
69.03423	1.4
69.07060	4.8
71.02944	2.9
71.04968	0.8
71.08610	0.8
79.05488	9.9
81.06580	1.2
81.07055	20.8
85.06551	1.0
90.82068	0.9
91.05476	18.2
93.07039	19.2
95.04962	2.9
95.08603	15.7
98.53635	0.9
103.05445	3.3
105.07022	35.6
107.08591	24.8
109.06532	2.1
109.10159	4.1
115.05447	7.9
116.06218	2.1
117.07011	19.2
119.08575	23.2
121.06502	2.1
121.10134	9.5
127.05399	1.1
128.06218	27.1
129.07008	16.5
130.07782	9.3
131.08562	63.8
133.10118	16.8
141.06949	6.2
142.07776	12.0
143.08551	68.9
144.05650	1.5
144.09378	9.4
145.06465	7.8
145.10112	88.9
146.10793	3.5
147.11655	3.2
153.06982	4.4
154.07671	1.6
155.06017	2.0
155.08525	7.5
157.10117	16.8
158.07266	2.9
158.10924	7.0
159.08067	12.4
159.11685	89.1
160.12024	1.7
167.08582	1.0
168.09337	11.9
171.08134	1.4
171.11688	4.4
172.08896	1.1
172.12427	1.9
173.09608	5.2
173.13246	29.7
174.13580	1.5
181.10762	0.9
183.11679	16.0
185.09605	1.0
186.10388	3.3
186.13969	2.0
196.33876	1.0
201.09050	3.5
201.12735	61.6
201.16368	100.0
202.13112	3.5
202.16685	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
50.95956	0.7
51.64597	0.7
53.03939	1.2
55.05514	4.1
57.07067	1.7
67.05495	8.7
69.07064	6.6
71.08613	1.1
71.33825	1.7
77.87399	0.7
79.05488	9.9
79.05918	1.2
81.07054	16.6
83.08623	1.1
91.05473	13.4
93.07034	21.9
95.04958	1.4
95.08607	15.5
103.05466	1.4
105.07025	36.2
106.07353	0.9
107.08588	22.4
109.10157	6.0
115.05425	3.1
116.06265	1.3
117.07011	20.5
119.08574	21.9
121.10140	9.8
128.06233	7.8
129.07016	6.9
129.08655	0.7
130.07791	8.4
131.08565	42.4
132.09222	1.0
133.10130	10.7
141.07004	1.4
142.07797	4.3
143.08553	26.4
144.09383	6.8
145.06441	2.3
145.10115	81.4
146.10785	2.9
147.11656	1.5
153.06911	1.4
154.05646	0.9
155.08553	2.4
157.10103	7.7
158.10840	3.3
159.08044	3.0
159.11688	60.3
160.12099	2.1
168.09300	3.7
171.07915	0.8
171.11662	2.6
172.12433	2.0
173.09608	2.2
173.13260	17.9
183.07951	0.8
183.11714	5.0
186.13998	2.2
199.14801	1.4
201.09068	1.4
201.12738	18.7
201.16373	100.0
202.16730	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.36621	0.6
53.03933	1.7
55.05509	3.8
57.07067	4.4
59.25648	0.7
59.99726	0.8
67.05499	8.6
69.07062	9.1
69.68887	0.8
69.90274	4.8
79.05485	11.8
81.07051	19.1
83.08611	1.6
88.65249	0.7
91.05473	19.2
93.07036	20.6
95.04942	1.3
95.08036	1.3
95.08601	16.0
103.05434	1.5
105.07025	31.2
107.07864	1.2
107.08587	23.7
109.06543	0.9
109.10159	4.9
115.05441	2.9
116.06153	1.5
117.07008	21.1
119.07766	1.4
119.08571	19.4
119.22903	0.8
121.10126	11.0
128.06219	10.3
129.07014	8.1
130.07788	10.4
131.08557	49.3
132.09317	1.0
133.09196	1.4
133.10117	12.8
141.06950	1.7
142.07809	5.2
143.08551	28.7
144.09358	7.7
145.06453	3.0
145.10110	93.1
146.10767	2.9
147.11664	1.4
153.06952	2.2
155.08553	3.4
157.10126	8.2
158.10901	5.4
159.08102	4.1
159.11682	60.3
160.12192	2.1
168.09355	4.3
169.86790	0.9
171.11678	3.4
172.08826	0.9
172.12466	2.4
173.09567	1.0
173.13255	19.4
183.11652	5.9
186.14050	3.3
201.09087	1.3
201.12758	19.2
201.16367	100.0
202.16704	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	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.02398	0.8
53.03956	1.4
55.05512	4.7
57.07072	2.0
62.95628	0.8
67.05502	9.9
69.07064	6.5
79.05490	26.2
81.07053	20.9
83.08601	1.3
91.05474	23.6
93.07040	32.0
93.07628	1.6
95.04968	2.6
95.08601	24.2
98.18124	0.7
102.82397	0.7
103.05453	1.4
105.07022	38.9
106.07293	1.0
107.08588	49.0
109.06533	1.8
109.10138	5.5
115.05438	1.3
116.06248	1.6
117.07011	19.1
119.08573	38.2
120.08945	0.8
121.10134	35.7
128.06206	5.0
129.06999	6.2
130.07787	10.3
131.08563	41.7
132.09074	0.7
133.10133	12.2
141.06915	1.0
142.07779	2.2
143.08566	13.2
144.09348	7.2
145.10112	94.2
146.10855	4.1
147.11693	1.1
155.08557	1.2
157.10089	7.8
158.10858	2.4
159.08046	2.1
159.11685	60.6
160.12085	1.4
168.09366	1.1
171.11696	2.9
172.12450	1.6
173.13268	15.2
183.11671	2.8
186.14009	2.5
199.14793	1.1
201.12793	7.5
201.16368	100.0
202.16724	3.6
208.19402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.02356	0.9
53.03937	1.4
55.05511	3.4
57.07060	2.7
60.26488	0.7
63.00705	0.8
65.03921	1.3
67.05497	8.4
69.07069	5.3
71.04976	0.7
71.10600	2.3
78.25983	0.6
79.05492	10.8
81.07051	20.1
83.08596	1.2
91.05472	18.6
93.07041	17.2
95.04959	1.8
95.08035	1.3
95.08604	20.1
103.05445	2.7
105.07027	35.0
106.07342	0.9
107.08593	25.9
108.08941	0.9
109.06490	1.6
109.10164	4.7
110.62273	0.7
115.05457	4.9
116.06181	1.9
117.07011	18.5
117.47898	0.8
119.08572	25.0
121.06482	1.1
121.10139	8.9
128.06209	21.1
129.07013	10.7
129.14172	0.6
130.07788	9.0
131.08559	51.9
132.08873	1.5
133.06458	0.8
133.10123	14.3
141.07016	3.8
142.07765	9.1
143.08556	51.4
144.09360	8.2
145.06477	4.7
145.10114	89.2
146.10852	3.4
147.11652	3.0
153.07011	3.5
154.07803	0.8
155.05995	1.6
155.08528	7.2
156.09227	1.2
157.10114	13.7
158.07239	1.0
158.10918	5.2
159.08080	10.6
159.11685	78.3
160.12163	1.5
165.21780	0.7
167.08553	1.1
168.09319	8.6
171.11662	3.8
172.08818	1.6
172.12477	2.0
173.09659	3.4
173.13260	26.6
174.13507	0.8
183.08084	1.1
183.11693	13.3
184.12172	0.8
186.10416	1.6
186.14114	2.8
199.14847	1.4
201.05493	1.0
201.09111	2.4
201.12737	49.5
201.16373	100.0
202.13107	2.4
202.16611	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	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.02377	0.6
53.03932	1.7
55.05506	6.7
56.59625	0.8
57.07065	2.3
59.20331	0.7
67.05502	7.0
69.07056	7.4
69.53765	5.6
71.08627	0.8
78.75806	0.8
79.05482	9.4
80.49193	0.7
81.07051	19.6
83.08598	1.0
91.05471	14.1
93.07037	18.2
95.04921	1.2
95.07976	0.8
95.08595	23.2
105.07022	29.3
107.08584	26.2
109.06514	1.2
109.10147	5.4
115.05436	3.1
116.06248	1.2
117.07016	14.9
119.07923	0.4
119.08571	20.3
121.10141	12.5
128.06216	2.7
129.07013	6.6
130.07777	8.5
131.08556	37.6
132.08893	1.4
133.10121	8.0
141.07010	0.9
142.07776	2.7
143.08557	11.6
144.09328	6.8
145.10114	97.7
146.10869	4.1
147.11728	0.8
155.08507	3.3
156.09132	0.8
157.10133	6.8
158.07275	0.9
158.10840	2.1
159.08028	2.1
159.11685	63.9
160.12138	2.5
168.09344	1.9
171.11716	3.3
172.12393	0.9
173.09663	1.7
173.13245	14.2
183.11661	1.7
186.14043	3.0
199.14749	1.2
201.09122	2.7
201.12756	7.6
201.16376	100.0
202.16716	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05508	4.6
57.07063	2.0
60.17111	0.7
67.05500	7.4
68.83990	0.7
69.07064	5.8
69.89635	2.4
69.90043	1.7
71.08636	1.4
79.05495	12.0
81.06586	1.2
81.07053	19.4
83.08595	1.9
91.05470	14.6
93.07037	17.4
94.11521	0.7
95.04962	1.3
95.08604	20.1
96.37794	0.6
102.55025	0.7
103.05480	0.9
105.07027	31.2
107.08591	30.4
107.09226	0.7
108.08923	0.9
108.23173	0.8
109.06561	1.1
109.10150	4.7
115.05412	1.9
116.06289	0.8
117.06224	1.2
117.07018	15.4
119.08583	21.4
121.10136	12.1
128.06190	1.9
129.06995	5.4
130.07788	6.6
131.08574	41.7
132.09351	0.6
133.09099	1.4
133.10118	19.2
141.06937	0.8
142.07770	1.8
143.08568	7.3
144.09349	7.4
145.10120	76.7
146.10904	3.5
147.11635	1.3
155.08583	2.6
157.10123	6.7
158.10924	3.7
159.11690	68.1
160.12085	2.3
171.11716	3.7
172.12436	1.8
173.13255	20.0
186.14052	2.4
199.14714	0.9
201.05389	0.7
201.09113	3.9
201.12685	3.0
201.16377	100.0
202.16716	3.0
212.40216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.61385	0.9
53.03939	1.6
55.05493	3.4
57.07081	2.1
65.03925	1.3
67.05498	10.1
69.07041	4.1
70.46623	4.7
79.05108	1.3
79.05498	14.2
81.07053	40.1
81.32914	1.1
83.08588	1.7
91.05473	20.1
93.07047	23.6
95.04935	2.6
95.08600	16.7
103.05403	1.5
105.07027	42.9
107.08595	28.4
109.06522	1.9
109.10145	6.1
115.05422	3.5
116.06277	1.7
117.07013	17.0
119.08584	19.4
121.10152	8.5
128.06215	12.4
129.07037	6.1
130.07776	5.7
131.08562	42.0
133.10117	11.9
141.06941	1.2
142.07797	8.2
143.08546	29.0
144.09305	4.1
145.06479	3.0
145.10120	92.8
146.10841	3.2
147.11633	1.8
153.06963	2.5
155.08507	5.3
157.10132	7.3
158.10905	3.6
159.08072	4.8
159.11690	55.6
160.12057	1.2
168.09358	6.4
171.11632	2.2
172.12558	1.0
173.09584	3.5
173.13243	14.5
174.66383	1.3
183.11708	7.1
186.10371	2.4
186.14044	2.0
201.09113	2.3
201.12741	27.3
201.16373	100.0
202.16721	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03931	1.8
55.01860	1.3
55.05505	4.7
56.05010	0.8
57.03424	2.0
57.07058	0.9
60.04517	1.0
63.47837	0.6
65.03922	1.8
67.05504	9.8
69.03420	7.3
69.07051	2.3
70.03696	3.5
70.06576	2.9
71.04978	1.7
72.08144	1.5
79.05489	5.9
81.07048	8.8
81.76496	0.6
83.04972	1.5
83.06110	0.7
84.08140	1.4
85.02865	1.8
85.06519	0.8
86.06046	0.9
86.09688	3.5
87.04447	0.6
91.04947	1.2
91.05473	14.4
93.07043	9.1
95.04966	11.4
95.06046	0.6
95.08606	5.4
97.02898	1.3
97.07664	0.8
98.97572	1.2
99.04417	0.8
101.06047	0.7
103.05434	1.8
105.07022	19.0
107.04948	1.5
107.08603	5.7
109.06497	2.0
109.10148	2.1
111.04499	1.2
111.08104	0.6
115.05473	5.6
116.06198	2.0
117.07011	11.5
118.96724	3.1
119.04914	1.3
119.08579	26.2
120.08143	0.8
121.06490	5.1
121.10113	1.4
123.08042	1.5
127.03889	2.3
127.07520	0.8
128.06212	14.4
129.05495	1.1
129.07008	12.1
130.07803	4.4
131.08560	34.9
133.10115	3.9
133.99118	1.0
135.08105	0.8
137.05971	1.4
137.09612	3.1
141.01871	0.9
141.05469	1.3
141.06984	6.3
142.07761	9.4
143.08554	36.6
144.05670	1.9
144.09341	8.1
145.06487	10.4
145.10114	30.8
146.07208	1.5
146.10651	0.7
147.06393	0.7
147.08020	1.4
147.11716	1.0
153.06950	4.7
154.96472	1.3
155.05977	1.2
155.08534	13.0
156.09338	2.6
157.06477	2.1
157.10130	9.9
158.07248	6.0
158.10915	8.4
159.08046	19.3
159.11681	22.5
160.08757	1.4
161.09578	1.0
168.09343	10.6
169.04988	0.8
171.08052	6.5
171.11697	3.7
172.08815	22.0
172.12302	0.9
173.05948	2.0
173.09621	27.8
173.13240	28.3
174.09999	0.8
174.13597	1.1
177.98073	2.7
183.04491	0.8
183.06505	1.2
183.08084	1.9
183.10184	1.0
183.11665	17.9
185.09636	1.0
186.10391	19.1
201.05510	3.8
201.09088	7.1
201.12738	100.0
201.16370	11.6
202.13110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03947	1.5
55.01863	1.9
55.05496	3.8
57.03408	1.4
57.07048	1.0
65.03926	1.9
65.24055	0.7
67.05502	8.0
69.03413	2.0
69.07053	2.5
70.06566	1.1
71.04982	2.8
71.06033	1.1
71.06395	2.1
74.28975	0.8
79.05499	11.9
81.03446	0.9
81.07054	15.9
83.04955	1.1
84.08114	1.0
85.06583	1.1
91.05479	28.5
93.07043	13.7
95.04962	5.3
95.08607	7.6
97.02926	1.0
103.05453	5.8
105.07030	36.3
107.04980	1.7
107.08595	9.9
109.06501	3.8
109.10126	1.3
115.05453	16.1
116.06248	4.0
117.07011	28.0
118.96741	1.3
119.04926	1.5
119.08582	12.0
121.06491	5.7
121.10141	1.9
127.05430	1.3
128.06216	29.6
129.07004	25.0
130.07784	5.8
131.04916	2.5
131.08562	55.3
133.06508	1.5
133.10118	4.2
139.37199	0.8
141.06984	24.4
142.07784	23.5
143.08562	68.5
144.05707	2.2
144.09390	5.8
145.06483	17.5
145.10121	47.7
147.08055	2.2
147.11641	3.8
152.06175	1.3
153.07004	11.4
154.07753	4.3
155.06018	1.6
155.08553	36.3
156.09245	1.0
157.06516	1.1
157.10130	28.8
158.07249	4.0
158.10919	5.6
159.04384	3.6
159.08063	18.5
159.11703	36.9
159.13049	1.8
160.08701	1.3
160.12135	0.9
167.08548	3.5
168.09352	23.5
171.08002	1.7
171.11684	3.2
172.08781	2.1
173.05983	3.4
173.09621	13.1
173.11047	1.3
173.13255	33.1
176.35400	0.9
183.08067	2.1
183.11694	38.7
184.12073	0.9
186.06770	2.0
186.10391	3.8
201.05525	8.8
201.09109	17.4
201.12746	100.0
201.16460	20.2
202.13016	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03941	1.8
55.01859	1.5
55.05511	2.7
57.07066	0.6
60.11386	0.5
65.03942	1.3
67.05505	5.2
69.03419	1.3
69.07063	1.5
70.01374	2.2
70.01788	1.3
71.04986	1.2
77.03920	0.8
78.04748	0.5
79.05489	7.1
81.07055	11.4
83.04977	0.8
85.06548	0.6
91.05475	20.9
93.07038	7.5
95.04974	3.4
95.08613	4.1
103.05451	2.5
105.03380	0.7
105.07027	25.0
107.04967	1.6
107.08578	4.4
109.06491	1.3
109.10188	0.5
113.09032	0.7
115.05453	9.4
116.06220	3.6
117.07012	16.9
118.96735	0.7
119.04945	1.2
119.07767	1.1
119.08568	11.1
119.51335	0.6
121.06490	2.6
121.10139	0.7
123.50458	0.6
128.06218	24.6
129.07007	19.5
130.07803	4.5
131.04910	1.6
131.08562	54.7
132.08931	0.7
133.06490	1.3
133.10136	3.1
141.06984	12.3
142.07780	19.5
143.04921	1.6
143.08556	51.3
144.05705	1.7
144.09383	7.9
145.06476	9.2
145.10118	39.2
146.07274	1.0
146.10759	0.5
147.08025	2.2
147.11682	3.4
153.06990	9.2
154.07736	2.1
155.05978	1.4
155.08548	27.0
156.09238	0.6
157.06497	0.9
157.10129	20.5
158.07301	2.5
158.10921	4.9
159.04468	0.8
159.08051	20.8
159.11690	32.0
160.08762	1.3
161.09663	0.9
166.07709	0.7
167.08583	2.1
168.09343	24.6
169.09665	0.8
171.08060	1.4
171.11690	2.0
172.08826	1.9
173.05975	0.7
173.09651	8.2
173.13257	23.9
181.10049	0.8
183.08107	2.4
183.11688	31.8
184.12115	1.0
185.09572	0.7
186.06813	1.0
186.10414	5.2
201.09134	8.4
201.12737	100.0
201.16360	17.4
202.13060	2.4
202.21674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1271
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03932	1.1
53.64366	0.6
54.16355	0.6
55.01872	1.4
55.05503	1.4
58.51144	0.5
65.03914	1.0
65.05275	0.5
66.20056	0.5
67.05491	3.6
69.03433	1.1
69.07074	0.9
69.42795	0.7
69.75673	0.6
71.04990	1.6
71.09078	0.9
71.09418	1.4
71.38297	0.5
79.05485	5.0
81.07051	7.7
85.06530	1.8
91.05465	13.8
93.07047	6.0
95.04957	2.3
95.08590	2.7
103.05470	2.9
105.07015	16.2
107.04942	0.9
107.08565	3.9
109.06498	2.0
115.05432	8.8
116.06213	2.3
117.07005	10.8
119.08570	6.8
119.50512	0.6
119.59404	0.6
121.06496	2.3
121.10143	1.0
122.36640	0.6
127.05471	0.8
128.06209	51.8
129.07022	12.7
130.07813	3.5
131.04900	1.0
131.08556	36.6
133.10136	2.1
141.06981	8.8
142.07761	13.7
143.08543	100.0
144.05699	1.4
144.09358	4.9
145.06464	12.1
145.10112	23.4
145.11270	1.2
146.07227	1.4
147.07967	0.7
147.11662	1.7
152.06131	0.6
153.06982	7.8
155.06020	2.4
155.08543	14.6
156.09319	0.9
157.06500	1.6
157.10100	11.7
158.07239	6.4
158.10895	4.7
159.08041	22.8
159.11676	26.2
160.08868	1.0
167.08536	2.2
168.09328	17.5
171.08090	2.5
171.11732	1.3
172.08823	3.0
173.09610	6.4
173.13252	15.8
183.11674	21.4
185.09628	0.8
186.06731	4.0
186.10344	5.4
201.09096	12.5
201.12723	85.4
201.16301	7.0
202.12994	1.9
203.82658	0.7
223.51601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01846	0.6
55.05510	1.7
65.03944	0.8
67.05489	2.6
69.03434	1.0
69.67141	0.5
70.01396	3.0
70.01770	0.6
71.04977	0.7
79.05478	3.7
81.07050	4.8
85.06541	1.6
91.05475	13.5
93.07042	4.7
95.04964	1.8
95.08599	1.1
103.05477	3.4
104.51440	0.6
105.07028	13.4
107.04951	0.7
107.08606	1.5
109.06515	1.7
115.05444	8.6
116.06242	2.3
117.07004	9.9
119.04916	1.3
119.08576	5.8
121.06522	1.6
127.05437	0.7
128.06213	41.6
129.07013	14.3
130.07788	2.7
131.04918	1.3
131.08560	41.4
132.08881	0.8
133.06442	0.7
133.10168	0.7
137.81531	0.5
141.06981	8.0
142.07774	16.6
143.08551	90.7
144.05727	1.9
144.09390	5.3
145.06473	10.9
145.10114	18.5
146.07208	1.5
147.08057	1.8
147.11630	1.2
147.72214	0.5
153.06985	7.2
154.07799	0.8
155.06041	1.9
155.08546	14.1
156.09325	1.6
157.06538	0.8
157.10117	16.6
158.07291	1.2
158.10872	3.8
159.08057	18.8
159.11674	25.7
160.08774	0.6
167.08557	2.0
168.09352	20.1
171.08032	2.7
171.11684	1.4
172.08824	1.9
173.09633	6.3
173.13255	16.8
183.08112	0.8
183.11688	24.8
184.11981	0.8
185.09552	1.1
186.10387	6.2
201.12735	100.0
201.16356	3.5
202.13145	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	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.64468	0.6
55.05489	1.6
67.05482	2.9
69.03425	1.6
71.04970	0.8
71.64263	1.6
79.05479	3.4
81.07054	3.3
91.05484	13.3
93.07056	3.8
93.38649	0.7
95.04993	1.8
95.08620	0.7
99.69484	0.7
103.05454	2.1
105.07027	13.9
109.06478	1.5
115.05447	6.4
116.06233	2.3
117.07027	10.3
119.08582	5.4
121.06472	1.5
128.06221	34.3
129.07022	13.8
130.07773	1.7
131.05009	0.7
131.08568	36.8
133.10101	1.2
141.06978	6.8
142.07777	16.4
143.08557	66.5
144.05707	1.1
144.09265	5.0
145.06491	8.0
145.10115	17.5
146.07152	0.8
152.06200	1.0
153.07011	6.6
155.06049	2.3
155.08559	12.7
156.09314	0.8
157.10117	14.0
158.07260	1.2
158.10950	4.4
159.06822	1.2
159.08066	15.7
159.11696	25.8
159.13023	1.3
160.08740	1.2
160.12024	1.0
167.08626	1.1
168.09346	19.3
171.07993	1.3
171.11670	1.2
172.08795	2.2
173.09625	4.6
173.13243	15.8
174.13524	1.0
183.08099	1.1
183.11697	23.2
185.09599	1.4
186.10397	5.1
200.75673	0.8
201.12738	100.0
202.13078	5.5
213.91563	0.8
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
53.03938	0.5
55.01866	0.7
55.04236	0.6
55.05513	3.6
56.05031	1.4
56.96560	2.3
57.03430	3.1
57.07074	0.9
58.06598	0.5
59.04987	1.0
59.06126	0.8
60.04522	0.9
61.02922	3.5
67.05508	2.6
68.05026	2.4
69.03447	1.0
69.05814	1.4
69.07066	1.6
70.06591	74.3
70.92267	1.3
71.01373	0.5
71.04595	1.0
71.04993	19.9
71.06935	0.7
72.08157	5.5
73.02906	0.6
74.06059	0.5
74.09722	1.4
79.05496	1.8
80.05021	0.5
81.03401	0.6
81.07052	8.6
82.06577	2.5
82.59166	0.4
83.04967	1.1
83.06063	1.0
83.07343	2.8
83.08659	0.6
84.04492	1.4
84.08151	3.7
84.70849	0.4
85.02911	1.2
85.06539	3.1
86.06055	1.4
86.09683	0.8
88.07656	0.7
91.05458	0.5
93.07022	0.6
94.06560	1.1
95.04948	3.0
96.08125	6.6
97.02911	0.9
97.06538	0.7
97.07671	0.5
97.08930	0.8
98.06069	1.0
98.09682	1.2
98.97579	3.5
99.04461	0.6
100.03941	0.6
102.05544	0.5
109.06482	0.6
109.07652	0.4
110.06034	0.5
110.07183	0.5
111.04452	0.8
111.05573	0.5
112.07625	0.9
112.11241	1.2
113.06001	5.0
113.07133	0.5
113.09643	0.5
116.07056	0.4
116.97237	0.7
116.98602	3.9
118.96761	2.3
119.01921	1.2
119.08580	0.5
122.06102	0.6
123.05588	0.5
124.07647	0.5
124.11220	1.9
125.07139	0.7
126.02658	0.6
126.05449	0.6
126.09187	2.6
126.12791	46.4
127.03938	0.5
127.13155	0.5
134.99661	5.2
138.09097	0.8
140.04686	1.2
140.07088	5.1
140.10698	71.7
141.05067	2.4
141.11089	1.0
142.08644	1.8
142.12271	27.2
143.08284	0.4
145.06465	0.5
146.99594	0.6
153.00706	1.4
153.96741	0.7
154.08658	3.7
156.13879	0.6
158.08170	0.5
158.11778	0.9
159.07983	0.5
168.13835	5.5
172.07491	0.6
176.98557	0.7
177.98070	1.5
182.08133	1.6
182.11740	3.5
200.12816	100.0
200.16464	11.8
200.19156	1.8
201.13112	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76569	1.0
55.01867	1.7
55.05506	2.3
56.05011	1.5
56.96562	34.6
57.03431	5.2
57.07068	1.0
58.96162	1.1
60.95845	1.1
61.02914	3.3
69.03429	5.7
69.07035	1.3
70.06584	4.7
70.07680	5.4
70.98131	1.9
71.04979	4.7
71.95252	3.0
73.02919	10.5
80.05000	1.9
81.03407	2.8
82.06575	4.7
83.00765	1.5
84.04491	3.9
84.08149	3.5
84.96021	2.5
85.02901	7.5
86.09710	2.3
87.04458	4.2
90.01546	1.1
91.05490	2.1
96.08131	15.3
97.02889	7.1
97.06511	1.5
98.97581	100.0
99.04454	2.7
100.02479	2.9
100.07606	1.2
100.53748	1.1
101.00857	2.5
102.05537	1.1
104.01266	2.6
108.04457	1.8
109.02895	1.9
110.01307	2.4
110.97568	4.2
114.06663	1.6
116.98615	82.2
118.03477	2.6
119.01872	17.2
125.01748	2.5
127.03879	3.4
128.02336	2.6
128.07082	7.1
128.98605	8.1
131.00185	2.0
131.01877	11.4
133.03462	3.0
134.02344	1.3
134.99654	57.2
136.00044	1.3
136.03900	1.3
137.01917	1.1
137.02907	5.7
137.05978	3.2
138.09145	1.5
140.00200	3.4
140.02284	3.3
140.10674	2.0
140.98595	1.3
143.00150	1.5
146.02327	2.5
146.99623	5.1
149.01144	1.4
149.02946	6.3
152.02289	1.5
153.00688	9.7
154.03539	5.8
154.12289	2.9
155.02821	5.0
156.05086	1.2
158.01251	5.3
158.99667	6.3
161.01167	3.0
161.02846	4.0
163.02800	1.5
164.03334	4.0
165.00754	1.5
170.03377	2.8
170.99660	3.0
172.04590	6.8
173.02898	1.7
174.05995	1.2
175.02832	1.5
175.11974	1.2
176.02303	2.9
176.03889	1.0
177.00713	13.3
177.02458	4.8
177.04076	1.2
182.03128	2.7
182.04517	8.8
182.11827	1.4
182.99643	1.2
189.00706	5.2
190.05537	2.4
191.02263	1.2
191.03915	4.1
194.99915	1.3
195.01794	3.7
195.03513	2.7
195.05287	1.3
199.18846	4.4
200.04092	7.4
200.05704	1.8
200.10376	1.5
200.12846	7.0
200.19263	1.3
201.00723	2.8
201.02480	2.6
218.03302	1.2
218.05174	6.7
219.01718	4.6
219.03622	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	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	19.1
60.95855	2.8
70.37508	10.0
71.95259	2.7
98.97582	100.0
107.08659	1.9
111.98491	1.9
116.98619	95.1
119.01907	4.6
134.99652	52.5
137.03041	2.1
140.00157	4.2
142.03517	2.3
152.55627	1.9
152.93700	1.7
153.00748	9.3
158.01244	5.0
176.04018	2.8
177.00858	10.4
180.88988	2.2
194.91211	2.0
194.94749	2.4
199.19078	1.9
199.98938	3.0
203.97000	2.6
206.01456	2.0
219.01988	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	199.1482
Annotation	CADALENE
Peak:m/z	Relative Intensity
53.03937	0.8
55.05509	6.9
57.07064	1.6
65.03934	1.2
67.05499	2.8
69.07068	6.2
70.08187	1.3
70.08577	1.6
74.09702	4.8
79.05491	9.6
81.07050	13.2
83.08607	1.2
90.98866	0.5
91.05479	11.5
93.07044	10.4
95.04942	2.0
95.08585	1.5
100.07630	0.8
103.05460	1.2
104.03531	0.6
105.07023	22.6
107.08605	7.5
109.06539	0.7
111.04456	1.3
115.05444	2.9
116.97209	2.4
117.07018	3.5
119.08572	13.2
121.10152	0.7
128.06218	15.1
129.07005	17.6
130.07796	0.8
131.08568	11.2
133.10120	1.8
139.03880	1.0
141.06967	5.4
142.07776	28.3
142.88663	0.6
143.08559	53.4
144.09373	3.1
145.06502	1.0
145.10104	5.6
148.59424	0.6
152.96971	0.8
153.07054	0.6
155.05992	1.4
155.08554	6.4
156.09332	8.8
157.10123	65.2
158.10857	3.6
159.11671	4.2
165.07050	0.8
166.07684	1.2
169.10109	8.2
170.10880	5.0
171.08122	0.9
171.11682	25.8
172.12047	0.7
175.98532	1.5
181.10118	1.1
182.10962	0.7
184.08836	1.2
184.12465	6.7
197.13289	1.6
199.03923	0.8
199.07549	2.9
199.11201	5.5
199.14819	100.0
199.18828	20.0
200.15193	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	199.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01849	0.5
55.05508	5.4
57.07075	1.2
65.03956	0.4
65.85555	0.5
67.05482	2.2
69.07063	5.7
70.07390	0.6
71.44731	0.9
74.09717	3.1
79.05488	7.6
79.67403	0.4
81.07051	12.7
81.32294	0.4
83.04962	0.6
83.08614	1.4
91.04897	0.7
91.05472	10.5
93.07038	8.2
95.04970	1.8
95.08599	1.7
100.07610	1.3
103.05466	0.9
105.07026	21.9
107.08589	6.5
109.06564	0.5
111.04433	0.8
115.05445	3.1
116.06263	0.9
116.97225	2.7
117.07002	3.9
119.08571	12.1
119.61946	0.4
121.10161	0.5
128.06209	12.8
128.07117	0.8
129.07007	17.5
130.07744	0.7
131.08562	9.4
133.10115	2.4
139.03850	0.7
141.06978	4.7
142.07771	28.1
143.08554	55.5
144.09392	3.2
145.10123	6.6
152.96863	0.7
153.06982	0.5
154.07753	0.7
155.06035	0.7
155.08554	6.8
156.09346	10.5
157.10123	70.5
158.10899	3.7
159.11685	3.5
166.07744	0.5
169.10129	7.2
170.10905	7.6
170.97911	0.7
171.08083	0.9
171.11684	24.9
175.98561	1.9
181.10110	0.8
182.10876	1.3
183.11592	0.9
184.08891	1.0
184.12491	7.3
197.13174	2.1
199.03818	0.5
199.07556	2.0
199.11206	4.4
199.14815	100.0
199.18810	15.6
200.15150	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	199.148
Annotation	CADALENE
Peak:m/z	Relative Intensity
53.03933	1.0
55.01811	0.7
55.05503	5.5
57.07060	1.0
59.51426	0.6
62.87027	0.5
64.67860	0.6
67.05477	1.8
69.07057	5.9
70.74578	1.4
70.74932	1.1
72.04494	0.8
74.09715	1.5
79.05488	5.8
79.56841	0.6
81.07053	5.5
91.05466	9.2
93.07035	7.2
95.04939	0.8
95.08600	0.7
103.05418	0.8
105.07021	21.8
106.07366	0.7
107.08588	7.0
109.06512	1.0
115.05453	3.9
116.97170	1.7
117.07009	2.6
119.08571	10.4
128.06212	14.8
129.07007	16.5
130.07813	0.7
131.08553	8.1
131.99532	0.6
133.10118	1.3
140.04614	0.6
141.06950	5.4
142.07767	25.3
143.08548	60.2
144.09346	3.4
145.06506	0.6
145.10098	5.3
146.18973	0.6
152.96867	1.0
153.07082	0.8
154.07771	0.8
155.05983	0.7
155.08540	6.2
156.09337	8.7
157.10120	73.4
158.10838	2.9
165.07092	0.6
169.10106	9.3
170.10884	6.2
171.08028	0.9
171.11667	15.2
175.98544	1.3
179.11554	0.5
181.10115	1.0
182.10768	0.9
183.11679	0.8
184.08798	1.5
184.12488	7.8
197.13315	1.4
199.07507	2.2
199.11174	4.9
199.14807	100.0
199.18793	11.8
200.15190	2.9
207.81052	0.6
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
53.03937	1.4
55.05506	6.0
56.05851	0.7
57.07087	1.1
65.03926	0.7
67.05499	1.2
69.07071	8.2
71.05004	0.5
71.39326	1.0
74.09718	3.0
79.05486	5.4
80.69995	0.4
81.07050	5.9
83.04977	0.5
83.08607	1.1
91.05475	10.7
93.07040	11.2
95.04975	1.6
95.08588	1.0
98.97601	0.6
100.07630	1.1
103.05484	1.1
105.07024	24.2
106.07370	0.5
107.08591	8.8
111.04436	1.5
115.05447	2.6
116.06227	0.6
116.97221	1.8
117.07019	2.0
119.08572	13.3
121.10147	0.6
123.04411	0.5
128.06207	12.1
128.07103	0.8
129.07001	16.4
130.07518	0.5
131.08568	7.3
133.10138	0.8
139.03838	0.5
140.04642	0.6
141.06958	6.2
142.07770	33.0
143.08551	53.2
144.09346	5.6
145.10115	5.9
152.96877	0.7
153.06966	0.5
154.07762	0.7
155.06003	0.5
155.08521	7.4
156.09331	11.9
157.10120	78.0
158.10867	2.6
159.11685	0.8
168.09019	0.4
169.07764	0.8
169.10127	9.7
170.10887	6.4
171.08044	0.8
171.11673	18.9
175.98515	0.5
178.59549	0.5
182.10872	0.8
183.11722	0.8
184.12480	7.1
197.13251	1.3
199.03978	0.6
199.07565	5.1
199.11249	3.7
199.14812	100.0
199.18794	14.1
200.15222	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	199.1481
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03928	0.9
55.05505	7.2
57.07062	1.4
58.07404	0.7
65.03928	0.8
67.05500	2.9
69.06709	0.6
69.07064	7.2
70.07385	0.7
70.55436	2.2
71.04972	0.6
72.04516	1.2
72.08138	0.5
74.09717	5.1
79.05486	7.1
80.31929	0.5
81.07059	7.3
83.08610	2.4
91.05476	9.7
93.07047	7.6
95.04961	1.0
95.08600	1.9
96.08895	0.8
98.10466	0.7
100.07613	1.9
103.05470	0.8
103.68152	0.5
105.07021	16.8
107.08595	5.2
111.04460	0.8
111.08072	0.7
115.05438	3.9
116.97220	2.3
117.07015	5.4
119.08572	14.1
121.10077	0.6
125.02256	0.5
128.05251	0.8
128.06206	16.3
129.06998	23.1
130.07747	1.0
131.08560	12.2
133.10126	1.8
140.04657	1.4
140.85580	0.6
141.06985	6.2
142.07771	25.4
143.08553	61.4
144.05644	0.7
144.09296	2.4
145.06477	1.1
145.10112	7.3
146.99460	0.5
152.06235	0.8
153.06967	2.2
154.07744	1.0
155.06033	1.0
155.07341	0.7
155.08553	6.5
156.05731	1.0
156.09344	12.3
157.10120	79.3
158.07205	0.7
158.10728	2.3
165.06990	1.3
166.02637	0.8
166.07782	1.4
169.06459	1.8
169.10110	6.2
170.07260	3.4
170.10916	5.3
171.08028	4.6
171.11676	25.1
172.12027	0.9
175.98520	1.3
181.04929	3.6
181.10115	2.2
183.08020	0.6
183.11638	0.8
184.03679	1.0
184.08824	5.6
184.12468	6.1
197.13284	1.1
199.03920	0.8
199.05783	0.8
199.07574	8.4
199.11197	17.2
199.14813	100.0
199.18848	28.9
200.15199	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	199.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.6
53.03945	3.0
55.01874	4.8
55.05511	4.8
56.05817	0.5
57.03440	0.4
57.07038	1.1
57.93550	0.5
58.10759	0.4
59.06122	0.6
65.03921	1.0
67.05501	5.1
68.99752	0.4
69.03400	1.7
69.07073	3.9
69.93523	2.4
70.06554	0.5
70.07398	0.5
71.04969	0.5
72.04494	0.5
72.08129	0.9
74.09723	3.4
77.03924	0.9
79.05491	22.6
80.05801	0.5
81.03394	1.2
81.07058	8.3
83.04956	1.4
83.08637	1.9
84.08932	0.5
86.09710	4.6
91.05477	20.0
93.03381	0.7
93.07040	36.1
95.04375	0.7
95.04971	10.8
95.08594	2.1
97.06523	4.1
100.07592	1.6
100.11275	0.5
103.05483	3.2
105.03368	0.8
105.04510	1.9
105.07025	4.5
107.01279	0.6
107.04953	2.6
107.08562	1.5
108.02034	0.6
109.06538	1.9
111.04445	3.2
111.08084	2.5
115.05442	0.9
116.97226	4.5
117.07002	0.7
119.08575	2.9
121.02855	0.5
121.06499	40.5
122.06810	0.5
123.04434	1.7
123.08064	14.1
125.02332	0.6
125.05941	1.3
128.06198	4.0
128.96262	0.4
129.07018	3.6
131.08551	1.5
131.99557	0.8
135.08064	0.7
136.07564	0.6
137.21893	0.4
139.03873	0.7
139.07536	30.1
140.04663	4.2
140.07780	0.4
140.10718	0.6
141.06953	1.8
142.07771	6.8
143.08557	12.1
144.09282	0.6
145.10123	1.6
148.96240	0.5
149.05974	11.8
152.32739	0.4
152.96927	1.2
153.05408	0.5
153.06996	0.7
153.09058	0.5
155.07054	1.0
155.08513	1.5
156.04196	1.0
156.09322	3.9
157.10120	18.4
158.10832	0.6
166.07706	0.6
167.07036	100.0
168.07391	1.7
169.10094	1.2
170.10930	1.4
171.06572	0.7
171.08014	0.5
171.11714	4.8
175.98503	2.3
181.04994	0.9
181.08611	0.5
181.10101	0.9
182.08202	1.1
184.08742	0.8
184.12488	1.4
185.08043	1.2
197.13333	0.8
199.03961	1.0
199.05949	0.5
199.07668	2.0
199.09624	0.7
199.11182	2.7
199.14832	23.0
199.18889	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	197.1325
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
53.03943	1.0
53.34592	0.5
55.05512	5.4
56.96560	2.0
57.07055	2.1
60.39899	0.6
67.05495	2.7
69.07048	1.6
70.90324	0.6
70.95859	1.2
71.64880	1.0
76.42563	0.6
79.05457	1.9
81.07043	2.8
83.08614	1.5
88.22364	0.6
91.05479	3.3
93.07007	1.1
95.04958	2.3
95.08601	1.9
97.02879	0.7
99.04437	0.6
105.03388	11.4
105.07027	10.9
106.03719	0.7
107.08566	3.0
109.06495	0.6
115.05457	1.3
117.07016	1.1
119.04960	4.3
119.08544	2.0
123.04411	0.7
126.52834	0.6
127.03904	0.7
128.03072	0.6
128.06210	2.0
129.07008	4.8
131.08571	1.5
132.95805	1.9
133.10100	2.5
135.03856	1.1
135.11696	1.1
137.76640	0.6
141.05499	0.8
141.05881	1.0
141.06984	9.9
141.08997	1.2
142.04626	1.4
142.07797	3.0
143.08528	4.3
146.54633	1.1
150.96873	2.4
151.03874	1.1
152.06284	1.2
153.06972	9.1
154.06563	1.1
154.07761	10.7
155.08553	62.2
156.09349	13.7
157.10152	4.1
161.09567	1.4
163.07001	3.6
165.06979	1.2
165.08279	0.8
166.07794	0.7
167.08557	32.0
168.09349	10.1
169.10123	52.9
170.10448	1.5
173.98476	1.8
174.57727	1.5
179.08557	1.3
179.10649	3.9
180.09264	1.2
181.10098	4.4
182.10909	49.5
183.11241	1.8
195.11655	1.9
197.06050	1.4
197.09700	5.6
197.13257	100.0
198.13599	3.9
198.18523	19.4
198.20355	1.0
215.14351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1326
Annotation	Lactarazulene
Peak:m/z	Relative Intensity
53.03936	1.2
55.01854	0.6
55.05513	5.1
57.07055	2.0
60.04555	0.6
67.05496	2.4
68.16534	0.6
69.07063	2.6
70.27139	0.5
70.30054	2.8
70.95856	2.6
72.93798	1.4
79.05485	2.0
81.07044	3.0
83.04982	0.8
83.08617	1.5
91.05480	3.6
93.07040	1.7
94.24569	0.6
95.04960	1.8
95.08598	2.2
103.05450	0.6
105.07028	8.0
107.04900	0.6
107.08576	4.4
109.06505	2.2
109.10162	1.8
111.08031	1.0
111.98461	2.2
112.74818	0.5
113.96395	0.5
115.05471	2.3
117.81239	0.5
119.08585	1.5
123.04438	0.7
123.08057	0.7
123.11745	0.7
125.06017	0.9
127.03951	1.1
128.06218	2.4
129.06998	4.6
129.99510	1.2
132.95815	2.7
133.10118	3.6
135.11694	2.4
137.05986	1.5
137.09634	0.8
141.06987	14.1
142.07796	4.4
143.08571	3.7
150.96880	6.0
151.03905	2.5
151.04993	0.6
151.11121	0.6
152.06131	1.3
153.01006	0.5
153.06999	9.1
154.07779	12.2
155.08551	51.0
155.97406	1.8
156.09352	15.3
157.10118	4.3
161.09622	1.6
165.05490	4.4
165.07011	2.0
166.07526	0.9
167.08588	29.7
168.05663	1.5
168.09349	9.0
169.06471	3.0
169.10123	46.6
170.10414	1.6
171.97382	0.5
173.98474	3.9
179.07141	1.0
179.08623	2.1
179.10663	5.1
180.09261	0.7
181.06500	0.7
181.10097	2.4
182.07364	1.5
182.10924	48.9
183.08052	2.0
183.11264	1.6
195.11639	1.0
197.00154	0.8
197.06015	2.5
197.09665	13.3
197.13274	100.0
198.10440	1.2
198.13599	3.8
198.18530	23.5
212.90758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	1.3
55.01857	1.2
55.05513	4.8
57.03401	0.9
57.07063	2.7
59.04983	2.6
67.05507	7.6
69.03413	1.0
69.07040	3.7
69.07369	0.8
69.58133	5.5
69.58537	1.6
70.95853	1.1
71.04991	1.2
72.93775	1.4
73.02911	1.0
79.05493	9.5
81.07060	10.5
83.04967	2.0
85.06545	1.5
85.25739	0.9
91.05476	22.0
93.07040	28.0
95.04958	10.6
95.08594	3.1
97.06503	0.9
103.05446	1.0
105.03407	0.8
105.07031	35.8
106.07372	1.7
107.04942	1.1
107.08594	70.7
108.08897	1.5
109.06501	7.1
109.10155	6.6
111.04412	1.8
111.08047	1.0
111.98467	1.6
115.05447	1.0
117.07007	1.7
119.01938	1.2
119.04942	3.1
119.06075	1.1
119.08580	9.4
121.06502	6.8
121.10141	1.5
121.29298	0.8
123.04426	5.0
123.08046	0.8
123.11739	4.2
127.07569	0.9
128.06168	0.9
129.99493	1.1
131.08549	2.8
132.95847	1.8
133.02847	1.9
133.06471	1.5
133.10127	75.5
134.10461	2.4
135.08054	2.7
135.11691	56.6
136.11993	1.8
137.05966	5.0
137.09613	4.7
141.06989	3.7
143.08566	2.7
144.00566	0.8
146.07254	2.8
150.96880	5.7
151.03902	2.5
151.11172	6.6
153.06938	1.7
154.07782	2.3
155.08354	4.4
155.97430	1.9
161.09616	35.8
165.05424	2.2
167.07054	1.2
167.08557	2.7
168.09390	1.3
169.06516	1.6
169.10115	5.0
173.98503	1.7
179.10670	100.0
180.11005	2.3
182.11029	3.9
197.06009	2.8
197.09830	3.4
197.11723	64.5
197.13295	7.2
198.12053	1.8
198.18526	19.4
204.58006	0.8
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
53.03919	1.6
55.01852	1.9
55.05512	4.4
56.82127	0.9
57.07063	2.0
59.04980	3.1
65.03924	0.9
67.05495	6.2
69.03412	2.0
69.07062	4.4
70.06586	1.0
70.13679	3.8
70.95837	2.4
71.04967	0.8
72.01042	0.9
72.93764	1.9
73.02902	1.7
79.05489	9.1
81.07066	10.4
83.04960	1.4
83.08609	1.5
85.06538	1.4
91.05473	23.1
93.06466	1.3
93.07042	24.3
95.04971	10.5
95.08584	2.8
97.06510	1.5
105.03380	1.0
105.07023	32.8
106.07336	0.9
107.04924	2.4
107.08590	67.6
109.06518	9.6
109.10153	7.4
111.04433	1.0
111.08000	1.1
111.98452	1.9
113.08232	2.7
117.07005	1.0
119.04923	2.7
119.08585	8.6
119.53812	1.2
120.55365	0.9
121.06490	5.3
121.10155	1.8
123.04424	5.0
123.08038	1.9
123.11687	3.4
125.05969	2.5
129.99524	1.4
131.08553	2.0
132.95856	5.1
133.06500	1.0
133.10126	69.1
134.10457	1.1
135.08041	2.0
135.11687	52.6
135.42758	1.0
136.12050	1.4
137.05983	9.3
137.09601	5.3
141.05447	1.2
141.06953	3.1
143.08578	1.4
147.04390	4.0
150.96864	7.2
151.03906	6.8
151.07539	1.8
151.11205	6.4
153.09088	1.0
154.07724	3.4
155.08420	2.4
155.97305	2.1
156.09338	2.2
161.09615	32.4
162.09888	0.9
165.05522	1.7
167.08559	2.8
169.06366	1.7
169.10104	7.3
173.98421	4.8
179.10660	100.0
180.10982	3.0
182.10883	3.4
197.05968	2.6
197.08018	1.8
197.09749	2.8
197.11694	58.6
197.13234	7.7
198.12035	3.0
198.18527	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	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03943	0.6
53.29765	0.3
55.01875	2.1
55.05511	2.8
57.03431	0.7
57.07054	0.6
59.04993	0.7
61.02922	1.3
65.03943	1.5
67.05507	3.7
69.03422	2.6
69.07077	1.3
70.95854	0.8
71.04993	0.8
71.63256	0.6
72.93787	0.5
73.02916	1.1
77.03910	0.7
79.05495	6.9
81.03438	0.6
81.07055	8.6
83.04972	0.7
83.08648	0.6
87.04474	0.8
91.05479	15.5
92.05837	0.5
93.07046	19.2
95.04974	2.9
95.08607	5.4
97.06543	1.7
99.04422	0.6
103.05448	0.6
105.03441	0.4
105.07032	29.2
106.07359	0.6
107.04952	1.2
107.08595	100.0
108.08930	1.3
109.02840	0.4
109.06526	6.6
109.10157	5.0
111.04433	0.8
111.08101	0.7
111.98495	0.8
113.08273	0.7
115.05456	1.1
117.07033	1.4
118.03957	0.3
118.07803	0.8
118.35395	0.4
119.04945	3.0
119.06160	0.8
119.08578	15.0
120.08849	0.4
121.06508	2.7
121.10144	16.0
123.04440	0.9
123.08056	2.7
123.11697	3.1
125.05981	1.3
125.09615	0.6
127.03917	0.8
127.07521	0.4
128.06219	1.9
129.07068	0.7
129.99495	0.5
131.08574	3.0
132.05731	0.4
132.95831	1.7
133.02879	1.2
133.06541	1.7
133.10129	58.6
134.10446	1.2
135.08043	0.8
135.11665	2.4
137.05980	6.2
137.09637	2.3
139.07532	3.2
141.07001	5.1
143.08575	2.8
146.07277	1.0
149.09627	9.9
150.96887	2.6
151.03934	2.8
151.07573	3.1
151.11182	18.9
152.11559	0.4
153.05565	0.6
153.06989	2.1
154.07758	5.6
155.08521	5.1
155.09480	0.4
155.97447	1.0
156.09312	0.7
161.09624	16.2
161.13356	0.4
162.09918	0.4
165.05482	1.5
167.08644	2.1
167.10681	26.0
168.05714	1.7
168.09445	0.4
168.10982	0.6
169.06488	2.3
169.08716	0.8
169.10114	10.6
173.98499	1.5
178.07823	0.5
179.10670	40.4
180.11029	1.2
182.07303	0.9
182.10934	2.8
197.05933	1.7
197.07913	1.9
197.09656	10.9
197.11723	46.4
197.13220	4.3
198.11993	0.9
198.18535	10.2
217.93553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03932	0.8
55.01877	2.9
55.05517	2.6
57.03434	0.8
57.70984	0.4
59.06116	0.5
60.94820	0.3
65.03943	2.4
67.05502	4.3
69.03423	1.0
69.07063	1.1
69.57841	0.4
70.06590	0.4
70.19382	1.6
70.95858	1.6
71.01363	0.7
71.04992	0.9
72.93781	1.1
73.02917	20.1
74.12531	0.4
77.03931	0.5
79.05499	2.6
81.03431	0.7
81.07065	2.9
83.04959	0.6
83.08642	0.5
84.04523	0.5
85.02888	0.6
88.96890	0.6
91.05485	6.8
93.03421	0.7
93.07031	2.1
95.04966	2.9
95.08599	1.5
97.06540	0.5
97.07635	0.4
99.04445	1.1
99.05553	0.7
105.03387	0.8
105.07036	4.7
107.04940	0.8
107.08602	4.1
108.02100	2.5
109.02905	0.8
109.06528	3.3
109.10140	1.7
110.03683	2.1
111.04430	2.6
111.98482	1.7
112.01608	0.5
113.08263	1.3
115.05474	1.1
117.07021	1.1
119.04942	2.1
119.08611	1.3
123.04440	0.7
123.08052	1.2
125.05993	12.9
126.06406	0.4
127.03909	0.8
128.06215	1.4
129.07002	2.0
129.99477	0.8
132.95825	2.9
133.02864	1.7
133.10132	4.0
135.11655	1.5
136.01482	0.5
137.05978	5.9
137.08218	0.8
137.09631	0.7
138.06610	0.5
139.03989	0.4
141.05495	4.2
141.07004	5.5
142.07739	1.9
143.08548	1.6
149.05974	3.0
150.96902	4.6
151.03908	100.0
151.05006	8.0
151.07449	4.0
151.11218	0.9
152.04305	1.7
153.06995	4.2
154.07759	3.3
155.08508	19.5
155.97447	1.5
156.09344	11.6
157.10153	2.0
161.09650	1.1
163.03896	0.8
165.05484	1.8
165.06998	0.9
167.08559	18.0
168.09332	3.7
169.10121	25.5
173.98499	3.0
179.05522	0.9
179.07050	16.7
179.09283	0.9
179.10495	3.6
179.11783	0.9
179.14308	0.5
181.10103	1.8
182.05766	2.5
182.10916	26.0
183.11293	0.7
195.11722	0.8
197.04398	1.0
197.06085	1.2
197.08124	5.8
197.13249	48.4
198.13611	1.1
198.18521	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	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03951	0.7
55.01869	2.4
55.05514	1.2
57.07078	0.7
60.26900	0.3
65.03933	2.5
67.05496	3.3
68.05038	0.4
69.03421	0.6
69.07096	0.4
70.95861	2.0
71.04989	0.6
71.63892	0.8
72.93790	0.9
73.02910	18.6
77.03896	0.5
79.05502	1.7
81.03422	0.5
81.07051	2.4
83.04995	0.5
83.06090	0.3
84.08154	0.3
85.02902	0.7
87.14483	0.4
88.06747	0.3
88.77174	0.3
88.96889	0.6
90.58587	0.3
91.05473	6.3
93.03392	0.4
93.07060	1.3
95.04962	3.3
95.06078	0.3
95.08617	1.1
96.05621	0.3
97.06562	0.4
105.03409	1.4
105.04521	0.5
105.07022	2.2
107.04980	1.1
107.08577	2.1
108.02090	2.6
109.02876	0.6
109.06518	3.0
109.10142	0.9
110.03675	2.7
111.04433	2.0
111.08048	0.4
111.98441	1.5
113.08268	1.5
115.05420	0.4
117.03405	0.4
119.04926	3.8
119.08611	0.7
121.06454	0.5
122.03637	0.4
123.04454	0.7
123.08086	0.7
125.05980	13.0
126.03067	0.3
128.06206	0.4
129.07031	0.4
129.99504	1.0
132.95824	2.4
133.02831	2.7
133.10101	1.9
135.11661	1.0
136.01563	0.5
136.05164	0.4
137.05962	7.2
137.08195	0.7
137.09633	0.9
138.06526	0.4
141.01830	0.7
141.05449	4.6
141.06958	2.4
142.07767	0.7
143.08615	0.6
147.04390	0.9
149.05971	3.2
150.96892	5.0
151.03896	100.0
151.04997	8.3
151.07410	3.5
151.11153	0.8
152.04276	1.8
153.06996	1.2
154.07748	1.8
155.08469	7.7
155.97424	1.7
156.04149	2.2
156.09349	2.5
157.10121	0.5
161.09605	1.3
165.05457	2.9
166.07736	0.4
167.08542	4.9
168.04224	0.3
168.09344	1.2
169.06401	0.6
169.10106	7.9
173.98518	3.4
179.07022	16.4
179.10577	3.1
180.07387	0.4
181.10110	0.7
182.10895	6.7
195.11559	0.4
196.99988	0.4
197.04424	0.6
197.06125	0.7
197.08037	4.0
197.09657	0.9
197.11745	1.1
197.13246	13.2
198.18538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.9588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.96564	72.9
58.99892	0.6
69.03427	0.8
69.07060	0.6
69.91850	2.2
69.96171	0.5
74.97595	0.9
77.00902	1.1
83.08646	0.6
91.05453	0.6
97.99193	1.1
98.21437	0.5
98.97568	3.0
100.02486	1.3
101.00915	0.5
101.02511	0.5
116.00196	1.2
116.98617	2.8
117.05714	0.5
118.03481	0.9
119.01907	3.5
120.02009	0.9
121.01656	0.6
129.03972	0.9
131.01906	2.5
131.96141	1.5
133.03484	0.7
134.01259	0.7
134.03018	0.5
134.99646	2.6
135.03070	0.4
136.04529	0.4
136.92146	2.9
136.93140	1.5
137.02945	0.7
138.03044	0.7
142.03493	0.7
145.03452	1.8
146.02957	0.5
146.99609	0.5
147.04970	1.3
149.02950	0.8
149.97220	2.4
154.93179	11.9
154.94208	2.9
155.01836	0.8
155.03000	0.4
163.04509	0.7
168.05040	0.9
172.01608	0.4
172.94188	47.2
172.98782	1.3
173.01196	1.0
173.02916	6.7
173.04208	0.6
173.06587	1.0
177.00851	0.6
190.49095	0.6
190.95288	100.0
191.02202	0.9
191.03929	2.9
191.05440	0.7
191.07570	0.8
192.95769	0.7
195.95827	5.6
196.04396	2.5
196.09598	0.5
196.16957	1.4
208.96382	11.9
213.96915	12.9
214.05603	0.9
214.09190	0.6
214.95506	0.9
219.94698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.86133	1.8
53.03947	2.7
55.01870	2.2
55.05517	20.9
57.03433	2.9
57.07077	6.7
62.42788	1.7
67.05509	14.8
69.03431	34.6
69.07067	44.7
69.87099	11.8
71.04987	8.4
79.05493	17.0
81.07059	54.7
83.04983	3.1
83.08622	22.3
85.06543	7.2
89.03908	2.5
91.05477	6.8
93.07047	29.1
95.04964	3.8
95.08607	70.6
97.10169	6.9
99.08097	44.0
103.05476	4.6
103.75460	1.8
105.07035	9.0
107.04961	41.1
107.08599	52.5
109.10163	16.9
111.08096	8.9
111.11729	4.8
113.09667	2.0
115.05454	3.3
117.03398	7.5
119.08612	2.0
121.10149	73.2
123.11727	6.1
125.09633	100.0
133.02789	2.2
135.04424	4.1
135.08051	8.1
135.11699	20.2
137.05968	2.1
137.13248	29.2
139.11217	3.6
145.02821	9.8
149.05998	3.4
149.13297	6.5
151.14896	1.9
153.09120	2.0
154.06206	5.6
154.60260	1.8
163.03889	6.6
163.07556	14.8
165.07030	2.5
167.07088	7.7
167.08553	3.4
168.80330	1.7
177.05479	14.0
177.16386	75.6
180.07919	2.0
180.09424	1.9
195.08344	2.7
195.10071	9.5
195.17459	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01875	3.8
55.05515	23.2
56.19066	1.8
57.03428	2.5
57.07057	5.7
59.11233	1.5
65.03938	2.1
67.05495	8.7
68.99780	4.6
69.03426	34.9
69.07068	46.9
70.15631	7.4
71.04984	6.3
74.12287	1.6
79.05486	13.2
81.07055	47.1
81.83668	1.7
83.04980	2.2
83.08616	13.9
85.06531	7.7
85.10166	1.7
85.59418	1.6
89.03918	4.6
89.05996	2.0
91.05469	9.3
93.07043	25.4
95.04971	4.1
95.08611	57.3
95.39670	1.8
97.06546	1.8
97.10156	6.0
99.08090	48.0
103.05472	4.5
104.94398	2.0
105.07018	9.3
107.04960	35.7
107.08591	43.7
109.10159	12.7
111.08051	7.3
111.11719	7.4
113.09679	2.0
115.05412	2.3
117.03371	7.8
121.06486	1.9
121.10143	60.1
123.11684	6.7
123.12638	1.5
125.06041	2.1
125.09632	100.0
135.04369	3.7
135.07138	1.9
135.08049	8.4
135.11670	17.0
137.13257	25.3
139.11177	3.7
145.02829	10.5
149.05933	4.9
149.13231	7.7
152.06223	2.0
153.05467	2.8
153.09096	6.6
163.03877	5.7
163.07571	14.7
164.03004	2.0
165.07037	2.8
167.07011	6.3
167.08408	3.2
177.05418	13.8
177.09096	1.8
177.16393	67.8
180.09273	2.0
194.56688	1.6
195.02910	2.7
195.06477	3.2
195.08095	5.8
195.10155	7.1
195.11786	3.2
195.17465	18.2
199.86914	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03933	3.0
54.24450	1.9
55.01868	6.5
55.05509	36.1
57.07067	8.4
59.05003	3.5
67.05482	12.0
69.03425	25.5
69.07066	63.7
71.04981	8.3
71.08637	2.4
71.09850	4.0
78.53998	2.3
79.05491	21.2
81.07055	51.7
83.04952	4.8
83.08621	25.5
83.36619	1.7
85.06532	12.7
89.03931	10.0
91.05475	9.7
93.07046	30.3
95.04996	2.7
95.08604	77.0
97.06540	3.3
97.10162	16.5
99.08092	100.0
103.05476	6.6
105.07043	11.8
106.04243	1.7
107.04960	39.6
107.08596	61.2
109.06547	2.6
109.10157	17.9
111.08080	30.5
111.11710	6.6
113.09650	5.8
115.05437	2.4
117.03379	19.2
121.06493	2.1
121.10142	92.1
123.11709	11.7
125.09629	65.7
133.06488	2.3
133.10141	2.6
134.03633	3.5
135.04430	6.1
135.08044	9.8
135.11681	21.2
137.13257	28.2
139.11165	7.5
145.02837	37.9
149.06001	13.4
149.13240	8.3
154.06238	2.1
163.03925	10.1
163.07607	14.1
165.06985	12.1
167.07060	5.7
167.08459	4.1
177.05484	41.6
177.07031	2.4
177.16383	92.4
178.05885	2.1
179.08543	2.1
180.07848	2.9
180.09360	8.2
185.65382	1.7
195.02863	2.6
195.06485	3.2
195.08122	6.4
195.10136	6.8
195.11720	16.3
195.13548	3.9
195.15759	3.4
195.17447	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11852	0.4
53.03936	0.5
55.01851	0.6
59.79036	0.3
67.05479	0.8
69.03408	0.5
69.07073	0.5
70.34442	1.4
75.32888	0.3
79.05486	3.4
81.07041	0.7
83.49984	0.3
89.03892	0.6
89.05975	0.3
91.05475	2.5
93.07024	0.8
95.04960	1.2
95.08588	0.7
99.75478	0.3
102.67962	0.3
103.05466	3.0
105.07018	2.9
107.04945	19.9
107.08553	0.8
109.06487	0.4
109.10173	0.3
110.03600	0.3
111.04406	0.5
115.05437	2.2
117.03355	0.5
117.07008	1.5
121.06532	0.4
121.10100	0.7
128.06195	0.5
129.06985	1.8
131.04947	0.4
133.06477	0.4
135.04427	0.6
135.08029	4.7
135.11659	0.5
139.03871	0.4
141.06961	3.0
145.02827	1.3
145.07626	0.5
146.75471	0.3
147.04465	0.7
149.05881	0.5
152.04657	0.4
152.06178	2.8
153.06982	8.9
154.06236	1.2
154.07738	2.6
155.08549	5.3
163.03896	1.0
163.07526	5.3
164.07849	0.3
165.06990	73.9
166.07776	5.0
167.07042	6.2
167.08556	23.4
167.10014	0.6
177.05550	1.6
177.16437	0.5
178.07747	4.4
179.08545	13.8
180.09322	64.9
181.09738	1.6
193.10118	3.0
195.02850	1.0
195.10184	5.6
195.11682	100.0
196.12022	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
56.50697	0.3
56.96553	0.5
69.07042	0.4
70.29439	1.3
79.05491	0.6
79.84658	0.3
81.07031	0.3
89.03873	0.3
89.31253	0.3
91.05463	0.4
93.07086	0.4
95.08582	0.5
95.96447	0.3
102.09872	0.3
103.05435	0.4
105.07037	0.6
107.04944	2.5
107.08582	0.4
115.05429	0.6
121.10142	0.5
128.06233	0.3
129.06961	0.7
135.08067	0.6
141.06973	1.2
152.06192	2.2
153.05717	0.6
153.06967	7.2
154.07727	0.5
155.08542	4.7
163.03868	0.9
163.07492	0.8
164.06192	0.3
165.06987	77.5
166.07771	5.2
167.07088	0.8
167.08543	11.7
177.05489	0.6
177.16397	0.5
178.07758	2.4
179.08548	15.1
180.09325	58.9
181.09686	1.5
193.10094	1.5
194.10895	0.7
195.11679	100.0
196.11984	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	195.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57581	0.4
63.23103	0.4
67.05486	0.8
69.09417	0.4
70.30547	0.5
70.86174	1.4
70.86529	0.6
74.24104	0.4
79.05469	0.9
81.07051	0.7
89.05981	0.6
91.05483	0.6
93.07039	0.8
95.08613	0.7
103.05432	0.8
107.04950	3.7
115.05433	0.9
115.32185	0.5
116.29051	0.5
117.06989	1.1
128.06219	0.5
129.06982	1.7
135.08029	1.2
135.11720	0.6
141.06979	1.5
145.02829	0.9
152.06232	2.4
153.06981	7.3
155.08551	7.1
163.07437	1.2
165.06990	79.9
166.07756	5.2
167.07118	0.7
167.08548	13.0
177.05534	0.5
178.07787	4.1
179.08548	13.5
180.09325	69.1
181.09680	1.9
193.10040	2.9
195.11681	100.0
196.12061	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	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00291	0.7
53.03936	1.5
55.01865	1.7
55.05500	0.9
56.96552	0.5
57.07085	0.4
65.03934	1.2
67.05487	1.7
68.99800	0.5
69.03432	0.6
69.07058	1.2
70.29497	0.5
70.29780	2.2
70.35855	0.4
71.01381	0.4
71.04966	0.5
74.12037	0.4
78.04720	0.8
79.05492	13.0
81.07052	2.2
83.04993	0.5
84.08105	0.4
89.03905	0.7
89.06000	0.7
91.05479	8.3
93.03403	0.9
93.07017	3.3
95.04956	5.8
95.08588	2.0
99.08075	0.5
103.05463	13.1
104.05835	0.5
105.03423	0.5
105.07027	13.1
107.04950	100.0
107.08584	3.0
108.05296	2.6
109.06509	0.9
109.10176	0.4
110.03658	0.5
111.04443	1.7
111.66984	0.4
112.35762	0.4
112.72340	0.4
115.05448	9.2
116.06264	0.7
117.03387	2.2
117.04091	0.5
117.07024	2.9
119.04958	1.4
120.05758	2.3
121.06503	1.0
121.10146	1.8
122.03664	0.5
123.04427	3.0
124.05222	2.5
124.99014	0.4
125.05975	2.0
125.09676	0.4
131.04939	1.9
133.02834	1.0
133.06465	1.0
134.03641	0.6
135.04436	2.1
135.08046	24.0
135.11684	1.5
136.08379	0.5
137.05997	1.9
139.03915	1.5
145.02855	1.8
145.06514	0.5
145.07597	1.4
147.04401	2.1
148.04959	0.5
149.06010	2.2
151.03856	0.6
151.07515	0.7
152.04689	1.1
152.06160	1.1
152.07838	0.4
153.05447	0.5
153.06892	0.5
154.06245	6.5
161.06029	0.5
163.03917	2.1
163.07538	32.0
164.07983	0.8
165.05508	1.9
165.07005	7.4
165.08310	0.7
166.07716	0.6
167.07045	35.7
167.08548	2.7
168.07382	1.0
177.05455	3.2
177.16376	1.3
179.08585	1.6
180.07785	8.3
180.09363	5.1
195.02927	3.1
195.06490	1.5
195.08134	1.7
195.10155	31.4
195.11732	8.5
195.17403	0.9
196.10449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68478	0.3
53.03948	0.3
63.94180	0.3
70.81097	1.1
71.33176	0.3
79.05472	0.4
91.05468	0.5
105.07033	0.4
107.04984	1.8
115.05447	0.9
117.07036	0.4
128.06250	0.4
129.07001	1.5
135.08072	0.4
137.56361	0.3
141.07010	0.7
143.08513	0.5
152.06168	1.8
153.06984	6.9
154.07675	0.3
155.08534	6.7
163.07510	0.8
165.06992	82.2
166.07703	5.0
167.08554	11.5
168.08867	0.5
178.07768	5.1
179.08540	15.4
180.09328	69.2
181.09595	2.1
193.10098	3.3
194.10849	0.5
195.11685	100.0
196.12012	2.4
203.78076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.88694	0.9
51.02382	0.8
53.03935	2.3
55.01854	2.4
58.59612	0.9
65.03921	1.8
67.05500	2.8
68.85436	0.8
70.21603	4.3
70.97833	0.8
78.04696	2.7
79.05490	18.8
81.07040	1.1
85.02895	2.4
91.05476	10.9
92.06275	1.5
93.07036	2.1
93.44904	1.0
95.04952	5.4
102.41484	0.9
103.04800	2.1
103.05471	34.9
105.03372	1.6
105.04560	1.0
105.07030	46.4
106.04168	2.1
106.07357	1.2
107.04957	54.3
107.08582	3.6
109.06499	1.4
115.04758	1.1
115.05457	5.1
115.61820	1.1
117.07007	2.5
119.04917	3.0
120.05736	8.6
121.06510	1.2
123.04416	4.6
124.05202	3.4
125.05959	1.5
131.04964	1.9
133.06476	2.4
134.03607	2.9
135.08052	100.0
137.05927	2.2
139.03912	10.4
139.07552	3.3
141.18277	1.2
147.04407	6.3
148.05159	2.3
149.05899	1.1
151.03920	2.1
152.04677	4.3
152.06076	1.0
154.06255	13.5
159.33699	1.1
163.07556	30.7
164.08253	1.5
165.05463	4.9
165.06982	5.3
167.07043	79.4
168.07309	1.5
177.05492	1.2
179.08466	1.7
180.07802	13.8
180.09354	4.8
190.61420	1.2
193.45235	1.2
195.10155	36.9
195.11729	9.2
196.10463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00296	0.7
53.03941	1.8
55.01873	1.8
55.05545	0.4
56.43453	0.3
57.03426	0.5
65.03931	1.0
71.07494	0.6
71.07847	0.5
77.03926	0.7
78.04711	0.9
79.05492	13.6
81.03400	0.4
81.07049	0.6
91.05473	8.0
92.06282	0.7
93.03383	0.5
93.07043	1.2
95.04958	5.2
103.05471	12.1
105.03410	0.4
105.04483	0.5
105.07029	12.8
106.04169	0.5
107.04954	100.0
107.08559	1.8
108.05306	1.4
109.06505	1.0
115.05453	9.0
116.06254	0.7
117.07003	3.1
119.04951	1.0
120.05743	3.6
121.06503	0.9
123.04394	2.4
124.05217	2.5
125.05981	1.8
131.04944	1.2
133.06467	1.1
135.04436	0.7
135.08055	26.1
137.05980	1.6
139.03909	1.9
145.06538	0.4
145.07588	1.6
147.04428	2.6
148.05170	1.1
149.05974	0.4
151.03902	0.6
152.04736	1.3
154.06250	7.8
155.06485	0.4
161.06058	0.5
163.07545	31.6
164.07953	0.8
165.05484	1.7
165.06999	1.9
167.07040	36.6
168.07385	0.5
170.59808	0.4
180.07841	8.9
180.09367	1.6
195.10167	31.6
195.11702	2.4
196.10567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
53.03945	1.6
55.01853	1.4
65.03928	0.9
70.34851	2.3
73.27585	0.4
77.03934	0.6
79.05493	11.8
81.07020	0.7
85.86053	0.5
88.62878	0.5
91.05479	7.4
92.06286	0.7
93.07043	1.1
95.04980	3.4
97.02360	0.5
103.05467	11.4
105.07034	14.2
107.04953	100.0
107.08580	1.0
108.05291	1.1
110.03692	0.6
115.05458	9.1
117.06994	3.5
119.04935	1.0
120.05706	2.9
121.06563	0.8
123.04422	2.0
124.05222	2.3
125.05984	1.6
131.04961	1.5
133.06523	0.8
135.04378	0.7
135.08055	25.5
137.05960	2.2
139.03897	0.9
145.06529	0.6
145.07590	1.3
147.04407	2.1
148.05168	0.8
151.03865	0.8
152.04691	1.5
154.06252	7.9
163.07541	35.8
164.08116	0.6
165.05463	1.6
165.06984	3.3
167.07040	34.5
168.07341	0.8
180.07817	7.6
180.09346	2.9
195.10164	30.6
195.11729	4.0
196.10585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00314	0.6
53.03941	1.8
55.01870	2.2
55.05487	0.4
57.03431	1.3
59.98751	0.4
65.03933	1.4
65.46808	0.5
67.05501	1.5
69.03414	0.6
71.64811	0.8
75.25903	0.5
78.04725	1.0
79.05492	14.2
80.28490	0.4
81.03421	0.7
81.07050	1.9
89.03944	0.7
91.05477	9.4
93.03399	0.9
93.07037	2.5
95.04968	5.8
95.08610	0.9
99.33665	0.4
103.05469	13.2
105.07027	13.6
106.04144	1.0
107.04955	100.0
107.08604	3.2
108.05299	1.2
109.06526	0.9
110.03620	0.7
110.35265	0.5
111.04450	1.5
115.05452	10.1
117.03368	1.3
117.07001	3.2
119.04951	1.6
120.05714	3.5
121.02804	0.7
121.06512	1.6
121.10160	1.1
122.16096	0.4
123.04450	2.6
123.08140	0.7
124.05245	2.1
124.06134	0.5
125.06028	2.1
131.04918	1.3
131.08543	0.5
133.02824	1.3
133.06464	1.2
133.10123	0.7
135.04416	2.1
135.08055	29.0
135.11656	1.0
137.05978	2.5
139.03891	2.6
145.02890	3.2
145.07590	1.5
147.04437	2.9
148.05208	1.4
149.05984	1.7
149.09587	0.5
151.03928	1.4
152.04781	1.1
152.06198	1.5
153.05521	0.6
153.06949	1.3
154.06235	8.8
163.03914	2.0
163.07547	34.2
164.06985	1.2
164.08272	0.6
165.05527	2.1
165.07014	9.4
166.07706	0.8
167.07053	36.3
167.08530	2.8
177.05466	5.0
177.09134	0.5
177.16496	0.5
179.08536	1.7
179.87651	0.5
180.07817	7.5
180.09367	6.9
195.01218	0.6
195.02965	1.3
195.06482	1.2
195.08156	2.6
195.10165	28.0
195.11739	12.2
195.13754	0.8
195.17369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00299	0.6
53.03944	2.8
55.01867	2.6
55.05504	3.8
55.41924	0.6
57.03439	1.2
57.07082	1.0
57.43338	0.8
63.02372	0.8
65.03927	1.6
67.05506	2.7
69.03437	2.6
69.07067	6.5
70.03666	3.2
70.06585	1.4
78.04725	2.0
79.05489	13.7
81.07051	7.6
83.04984	1.4
83.08627	2.3
85.06541	1.5
88.59415	0.6
89.03915	30.2
91.05479	11.1
93.03427	1.7
93.07029	4.7
95.04976	4.9
95.08603	6.2
97.02919	1.0
97.06524	0.6
97.10156	1.7
99.08089	5.4
103.05461	11.5
105.04507	1.3
105.07022	10.8
105.08110	0.6
106.04176	2.4
107.04951	78.6
107.08585	7.9
108.05293	1.2
109.06503	1.9
109.10172	2.0
110.03651	0.6
111.04492	1.1
111.08093	1.7
111.11666	0.6
115.05457	5.8
117.03378	52.2
117.07015	2.3
119.04919	0.9
119.08547	0.8
120.05713	2.4
121.06496	3.3
121.10141	7.9
123.04435	2.2
123.08078	0.6
123.11681	0.9
124.05225	2.8
125.05988	1.7
125.09624	4.1
131.04904	1.2
131.08492	1.0
133.02841	2.0
133.06467	1.2
134.03622	8.7
135.04414	11.6
135.08046	21.4
135.11700	2.8
137.05994	1.8
137.13245	2.4
138.06644	0.8
139.03891	1.1
139.11205	0.9
145.02841	86.7
145.07584	1.6
146.03221	2.5
147.04390	1.9
148.05176	0.8
149.05969	24.0
149.07127	1.3
149.09639	1.0
151.07544	1.3
152.04745	1.3
152.06137	0.9
153.05476	1.8
154.06238	5.2
158.05959	0.8
162.03142	1.7
163.03905	11.5
163.07545	25.2
165.05476	2.5
165.06863	1.5
167.07040	30.5
167.08403	1.6
168.07365	1.0
177.05466	100.0
177.16364	7.7
178.05830	3.0
180.07816	4.9
180.09270	1.1
186.05472	1.7
195.02971	1.6
195.06448	2.6
195.08493	1.1
195.10165	25.9
195.11720	2.6
195.14928	11.4
195.17448	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00299	1.1
53.03942	2.1
55.01870	2.1
55.05503	1.4
57.03438	1.0
57.07063	0.6
59.42640	0.4
65.03946	1.4
67.05498	2.5
68.99790	0.5
69.03439	1.2
69.07062	2.2
71.04983	1.0
71.64776	1.0
77.03935	1.0
78.04703	1.7
79.05488	15.8
81.03403	0.9
81.07038	3.6
83.04960	1.0
83.08619	0.6
84.08134	0.7
85.06548	0.9
85.08560	0.5
89.03906	6.6
89.06031	0.6
91.05477	9.5
92.06254	0.7
93.03397	0.9
93.07035	4.4
95.04968	6.1
95.08598	3.0
95.88081	0.5
97.06506	0.5
97.10136	0.7
98.00409	0.5
99.08093	1.4
103.05463	11.0
105.03377	0.5
105.04539	0.6
105.07019	12.6
106.04184	0.8
107.04948	100.0
107.08572	4.1
108.05290	1.5
109.02903	0.8
109.06517	1.1
109.10125	1.5
111.04440	1.9
115.05440	8.4
117.03377	11.8
117.07003	3.1
119.04923	1.6
119.08576	0.8
120.05743	2.9
121.02842	0.8
121.06530	2.4
121.10142	4.5
123.04449	2.3
124.05242	2.4
125.05977	1.9
125.09603	2.5
131.04936	1.4
131.08578	1.0
132.05695	0.6
133.02863	1.8
133.06500	1.4
134.03621	2.0
135.04428	3.7
135.08046	25.9
135.11671	1.7
136.08362	0.8
137.05975	2.4
137.09608	0.7
137.13193	0.5
139.03899	2.4
139.07529	0.6
145.02838	23.7
145.06473	1.0
145.07625	1.6
147.04417	2.8
148.05177	0.6
149.05968	7.0
149.09616	1.1
151.03941	1.3
151.07573	0.8
152.04732	1.1
152.06168	1.2
153.05478	1.1
154.06233	7.0
161.05949	0.6
162.03139	0.9
163.03923	4.9
163.07542	28.7
165.05449	1.5
165.06964	4.2
167.07047	34.8
167.08507	2.4
168.04141	0.5
168.07365	0.6
177.05464	24.5
177.09079	0.9
177.12738	1.7
177.16388	2.1
178.05807	0.8
179.08504	1.0
180.07799	7.8
180.09329	3.1
181.04858	0.5
181.60732	0.5
186.05431	0.6
195.01199	0.8
195.02869	1.5
195.06487	2.2
195.08148	2.8
195.10147	29.8
195.11711	4.3
195.13731	1.1
195.17380	1.1
196.10522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03945	1.6
55.01870	1.6
55.05498	2.2
56.96574	0.7
57.03437	0.8
63.02376	1.0
65.03922	2.0
67.05493	1.8
68.99784	0.7
69.03436	1.0
69.07059	2.4
69.76622	3.0
70.06582	0.6
71.04990	0.6
78.04717	0.6
79.05482	6.1
80.05035	0.6
81.03413	1.1
81.07053	3.8
83.04956	1.1
83.08614	0.5
84.08136	1.0
85.02887	0.6
85.06541	0.7
89.03911	24.8
89.06042	1.3
91.05475	5.8
92.05836	0.5
93.03400	1.3
93.07027	4.5
94.06583	0.7
95.04951	3.7
95.08594	2.7
97.02853	0.7
97.06510	1.4
97.10181	0.7
98.97557	1.0
99.08071	1.0
103.05472	4.1
105.03378	0.9
105.04514	0.7
105.07030	2.8
106.04176	2.0
107.04949	19.8
107.08582	4.0
109.02828	0.4
109.06530	1.3
109.10142	1.5
111.04426	2.6
111.08076	0.9
115.05451	0.8
116.98618	0.6
117.03372	45.6
117.06998	0.9
118.03709	0.6
119.04910	1.0
119.08564	0.7
120.05318	0.4
121.02856	0.9
121.06503	3.1
121.10150	2.5
123.04416	0.9
123.08077	0.9
124.05193	1.3
125.05988	2.7
125.09595	0.7
131.04930	0.8
131.08546	1.0
133.02834	1.2
133.10162	0.7
134.03632	8.3
135.03383	0.7
135.04411	13.0
135.08040	3.7
135.11690	2.6
136.05016	0.5
137.05916	1.3
137.09586	0.5
137.13298	0.5
138.06592	0.8
139.03937	0.5
139.07558	1.1
145.02837	84.8
146.03156	2.1
146.69102	0.5
148.97302	0.7
149.05977	21.8
149.09560	2.0
150.06371	0.7
151.03886	0.4
151.07582	0.6
152.04735	0.4
152.06186	1.1
152.07921	2.0
152.10699	1.3
153.05481	5.8
153.06786	0.8
153.09137	0.6
153.12708	0.4
154.06227	0.8
158.06053	0.9
159.11681	1.1
161.91733	0.4
162.03104	2.9
163.03899	15.9
163.07564	3.0
165.05627	0.7
165.06975	5.7
166.07678	0.5
167.03317	0.4
167.07022	3.6
167.08517	1.4
171.98856	0.4
177.05458	100.0
177.12767	1.6
177.16368	1.1
178.05856	2.7
179.08499	0.9
180.03790	0.4
180.07886	0.9
180.09322	4.2
186.05470	2.4
186.06915	0.4
195.01219	0.7
195.02858	2.0
195.06458	4.0
195.08350	5.7
195.10138	3.0
195.11693	6.9
195.13727	0.9
195.15602	0.5
195.17458	0.7
196.09674	0.5
196.17075	0.5
205.00990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.68985	0.7
53.00286	0.8
53.03952	2.1
55.01864	1.6
56.16629	0.7
65.03954	1.1
65.51868	0.7
70.07934	3.8
78.04706	0.8
79.05496	14.8
91.05484	8.2
93.03394	1.0
93.07058	1.3
95.04984	5.0
103.05469	12.7
105.04536	0.9
105.07031	13.2
106.04141	0.8
107.04953	100.0
107.08594	1.8
108.05330	0.8
109.06545	1.2
110.03642	1.3
115.05450	7.6
117.07034	3.0
119.05022	0.9
120.05744	3.8
123.04424	2.5
124.05184	1.9
125.05974	1.6
131.04941	1.1
133.06503	0.8
135.04443	1.0
135.08052	27.9
137.05956	1.5
138.76833	0.7
139.03880	0.9
145.02850	1.5
145.07626	2.2
147.04391	2.2
148.05156	0.9
149.05946	0.8
151.03900	1.2
152.04695	1.3
153.96638	0.7
154.06258	7.6
163.07545	35.3
165.05539	1.6
165.06918	1.4
167.07040	38.7
177.05493	0.9
180.07863	8.9
180.09286	1.2
195.10164	32.6
195.11632	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02386	0.8
51.14279	0.5
53.00307	0.7
53.03939	1.8
55.01855	2.5
55.05499	1.8
56.96562	0.6
57.03436	1.0
57.07067	1.0
63.02385	0.7
65.03940	1.6
66.69803	0.5
67.05500	2.9
69.03426	2.0
69.07063	5.2
69.90052	3.5
70.06596	0.9
71.04982	1.0
77.03936	0.5
78.04709	1.6
79.05045	1.1
79.05489	16.9
81.03428	1.1
81.07041	6.0
82.27331	0.5
83.04974	0.9
83.08121	0.5
83.08616	1.8
85.02891	0.7
85.06527	1.1
89.03909	25.4
90.04229	0.6
91.05472	12.1
92.06253	0.6
93.03379	1.0
93.07037	5.7
95.04959	7.0
95.08608	4.9
97.02857	0.8
97.06540	1.0
97.10146	1.1
99.08083	3.0
103.05463	15.3
105.03371	1.1
105.04472	0.9
105.07014	13.8
106.04185	2.6
107.04945	100.0
107.08579	6.8
108.05251	1.0
109.06514	2.0
109.07703	0.6
109.10152	1.5
110.03648	0.8
111.04436	2.2
111.08056	1.0
111.11700	0.6
115.05447	8.0
116.06256	0.6
117.03369	50.0
117.07005	3.1
118.03690	1.0
119.04945	1.5
119.08629	0.5
120.05706	3.2
121.02826	0.6
121.06477	3.8
121.10140	5.5
123.04408	2.6
123.08027	0.7
123.11667	0.5
124.05196	3.8
125.06003	2.5
125.09573	2.8
131.04919	1.7
131.08511	1.0
132.24741	0.5
133.02820	2.3
133.06494	0.9
134.03624	9.1
135.04417	10.2
135.08044	28.8
135.11667	1.8
137.05989	2.6
137.13260	1.7
139.03885	1.8
139.07520	0.7
145.02832	84.8
145.07600	1.6
146.03148	1.9
147.04391	3.2
148.05249	0.7
149.05971	23.6
149.09587	1.4
150.06419	0.6
151.03938	1.1
151.07501	0.8
152.04614	1.1
153.05473	1.9
154.06221	6.1
158.06085	0.5
162.03114	1.3
163.03896	11.5
163.07532	29.0
164.08279	0.7
165.05482	2.1
165.07004	4.4
167.07031	32.8
167.08505	1.5
177.05457	96.4
177.16370	5.1
178.05791	2.1
179.08438	0.8
180.07793	7.8
180.09358	3.8
186.05450	3.0
195.01158	1.0
195.02890	1.5
195.06433	2.1
195.08185	2.0
195.10139	30.0
195.11714	5.0
195.14874	4.7
195.17430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01859	2.1
57.03424	2.3
65.03928	3.9
67.05504	2.5
71.14490	1.6
71.14835	1.9
73.33360	0.8
77.03904	1.8
78.04704	1.4
79.03024	0.9
79.05486	12.4
80.05815	1.0
80.06271	1.0
81.03391	1.0
81.07043	3.0
81.69839	0.8
91.05477	56.4
91.55647	0.9
92.05798	1.1
93.07034	3.1
94.07346	1.0
95.04971	7.6
95.08566	1.1
102.04678	1.7
103.05462	17.3
105.03393	6.0
105.06300	1.2
105.07021	23.0
106.04173	1.0
106.07359	4.7
107.04951	37.5
107.08600	2.0
108.05767	4.3
109.06491	3.3
111.04383	1.0
115.05446	7.3
116.06238	3.2
117.07004	3.4
118.04136	2.9
119.04942	77.1
119.08574	2.1
120.05821	1.0
121.06496	7.2
122.03620	1.1
123.04444	10.8
123.08072	7.0
125.05975	1.1
129.06976	1.2
130.04146	0.9
131.04921	16.6
132.05692	2.0
133.01823	1.7
133.02846	35.2
133.06493	24.7
134.07353	4.1
135.04379	2.8
135.08057	15.4
136.05222	8.1
137.05014	1.1
137.05986	10.7
138.03064	1.0
144.05688	1.6
145.06511	4.2
145.07529	1.3
147.04402	100.0
147.08023	6.3
148.04982	1.6
148.07542	1.1
149.06007	6.2
150.03084	1.0
151.03905	3.1
151.07542	51.6
154.06239	2.4
161.05974	18.0
162.06651	4.0
163.03848	1.3
163.07538	26.1
164.04742	1.2
165.05482	41.4
165.06940	3.9
165.09128	2.6
166.06128	1.8
167.07039	11.9
167.08418	1.7
175.07571	2.4
177.05453	1.6
177.09131	3.7
179.07025	96.1
180.07669	3.6
180.09378	2.5
193.08614	2.0
194.09389	77.9
194.15279	5.6
195.02950	1.3
195.10106	7.2
195.11732	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03927	1.3
55.01861	1.6
55.05505	9.0
56.76820	1.1
57.07053	2.9
58.77778	1.1
58.89622	1.2
59.04985	1.5
65.03930	2.0
67.05508	10.5
69.06738	1.5
69.07067	22.6
70.45842	4.7
71.04995	15.3
79.05495	14.4
81.03426	1.6
81.07053	21.8
83.04974	1.2
83.08603	4.2
85.06544	12.6
91.05476	9.7
93.07048	22.8
95.04961	35.6
95.08609	18.3
97.06546	1.8
97.10159	8.1
98.20969	1.7
99.08061	3.9
103.05492	6.0
104.06235	1.3
104.24580	1.2
105.07033	37.3
107.04293	1.1
107.04944	5.0
107.08589	34.1
109.06517	100.0
109.10154	13.4
110.06874	1.6
111.08089	5.7
111.11711	2.6
115.05433	3.1
117.07005	1.4
118.04146	5.5
119.04929	1.6
119.08582	28.2
120.05721	2.9
121.06518	2.7
121.10158	9.0
122.07283	2.3
123.08062	8.4
123.11701	17.7
133.06490	18.2
133.10133	21.4
135.04398	3.2
135.08052	2.5
135.11691	31.5
137.05960	5.6
137.09621	13.3
145.93393	1.2
147.11707	2.6
149.13254	8.8
150.06758	5.7
151.11189	4.3
161.06004	5.8
165.09108	11.4
175.14838	34.3
178.02640	1.9
178.07779	1.7
193.05016	3.5
193.08597	9.0
193.10213	4.4
193.15877	55.3
194.16000	1.4
195.25381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	SALSOLINE
Peak:m/z	Relative Intensity
53.03936	0.9
55.05492	0.6
56.05004	0.8
56.96561	4.2
58.70864	0.6
60.04511	0.7
65.03950	1.4
67.05498	1.3
69.03410	1.1
69.07057	1.2
70.06582	1.3
71.21964	1.3
71.22313	0.7
71.72785	0.6
72.08161	0.9
73.02895	1.2
79.05484	2.7
80.05033	0.6
81.03409	1.2
81.07057	0.7
82.06538	0.7
83.04986	0.7
84.08120	2.0
85.46220	0.6
86.09678	0.7
87.04453	1.0
89.03886	1.3
91.05470	10.0
91.06004	1.2
93.07037	1.8
95.05005	2.8
95.06078	0.6
97.02862	1.1
97.06470	1.0
98.97588	0.8
103.05447	2.3
105.07021	2.0
106.07317	0.9
107.04958	2.8
107.08576	0.9
108.04444	1.0
109.02864	1.2
109.06509	0.6
111.04395	1.6
115.05435	11.2
116.98586	1.4
117.03391	1.3
117.07008	69.1
118.07364	1.2
119.04951	4.4
120.08159	1.2
121.06492	3.9
121.10059	0.8
123.04453	0.6
125.05959	1.2
131.08511	0.9
133.05240	0.6
133.06479	1.6
134.05960	0.6
134.06880	1.2
134.09653	1.5
135.04414	1.4
136.05176	0.9
136.07596	0.7
137.05980	2.1
138.06480	0.6
145.02815	1.7
145.06473	100.0
146.06892	2.2
147.04355	0.7
148.03868	0.9
148.07539	2.3
148.69667	0.6
149.05995	2.7
149.09592	2.2
150.05518	0.8
151.07536	28.0
152.07030	0.9
152.08107	0.7
153.05447	1.1
155.06032	1.9
157.35646	0.6
159.11714	0.6
162.06717	3.8
162.09088	1.2
163.03978	1.0
165.06969	1.8
165.09087	4.5
166.07323	0.8
166.08611	1.4
167.05699	1.1
176.03421	1.9
177.00546	0.9
177.05678	3.2
177.09090	70.6
178.09489	1.5
179.08324	0.9
180.09293	1.1
194.02742	0.6
194.05408	1.1
194.08008	3.8
194.11765	55.6
194.15329	7.7
195.02895	0.8
195.06516	0.8
195.11729	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	194.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
50.28373	1.0
53.03937	1.3
53.30610	0.8
54.02902	1.1
55.01869	2.7
55.05517	1.6
56.96563	1.3
57.03424	1.6
59.79982	1.0
63.53885	0.9
65.03925	3.5
67.05501	3.9
68.05782	0.9
69.03420	1.4
70.52962	3.9
77.03924	1.5
79.05491	10.7
80.05035	1.8
80.05833	0.9
80.06268	1.2
81.03435	1.4
81.07047	3.8
87.04469	1.4
88.94250	1.0
91.05482	58.9
92.05831	1.1
93.07046	4.8
94.04191	1.5
95.04961	4.8
95.08607	2.6
102.04698	2.1
103.05473	17.5
105.03394	6.4
105.07034	22.4
106.07333	5.5
107.04954	12.4
107.08595	1.6
108.04491	1.9
108.05728	2.8
109.02832	1.3
109.06522	3.3
115.05466	5.1
116.06229	3.6
117.03371	1.3
117.07038	4.5
118.04153	2.0
119.04948	74.0
119.08543	1.7
120.05261	1.3
121.06487	7.4
123.04451	8.6
123.08079	6.8
130.04169	1.0
131.04919	16.5
132.05716	1.3
133.02856	34.1
133.03818	2.0
133.06491	24.6
133.10249	1.4
134.03278	1.2
134.06908	4.3
135.04425	3.5
135.08055	12.5
135.11760	1.5
136.05200	10.2
136.07533	1.5
137.05992	10.1
138.03133	1.3
144.05708	3.5
145.02837	2.2
145.06525	2.8
147.04413	100.0
147.08003	6.8
148.03842	1.3
148.04922	1.8
148.07559	1.9
149.06038	5.7
150.03152	1.3
151.03918	4.0
151.07550	51.5
152.07988	1.3
154.06259	2.2
161.06003	16.0
162.06657	4.6
163.03860	1.2
163.07550	18.1
164.04703	2.4
165.05498	41.5
165.07010	8.5
165.09181	2.9
166.06042	1.2
166.09665	1.8
167.07054	4.1
167.08472	2.3
175.07582	2.6
176.03398	1.9
176.08325	1.3
177.05452	4.8
177.09142	2.9
179.07033	94.7
180.07736	0.9
180.09346	4.3
193.08694	1.8
194.09415	66.7
194.15326	12.1
195.08076	1.9
195.09938	2.3
195.11726	11.3
213.26915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01866	5.5
55.05509	15.0
57.03418	3.1
57.07059	4.4
58.88449	1.0
59.04980	1.8
59.84043	0.9
65.03929	1.8
67.05499	15.8
67.67297	1.2
69.03423	9.7
69.07066	13.3
69.53760	2.9
69.54177	5.7
71.04977	2.9
77.03888	1.4
79.05487	29.5
80.05825	1.0
81.03416	12.6
81.07056	20.5
83.04984	12.8
83.08614	9.8
85.06523	3.6
90.04687	1.7
91.05479	23.6
92.06247	3.0
93.07040	15.8
94.04167	2.2
95.04957	12.4
95.08600	32.7
97.06536	2.0
97.10150	2.2
99.08067	2.5
103.05465	16.5
104.06232	4.0
105.07026	100.0
106.07346	2.3
107.04947	10.2
107.08595	32.6
109.02856	1.2
109.06521	16.3
109.10149	45.2
110.79204	1.1
111.08081	5.3
115.05460	11.6
117.07032	2.7
118.04167	14.7
119.04922	4.6
119.08570	38.6
120.05721	2.8
120.08949	1.0
121.06529	5.0
121.10135	18.3
122.03636	2.3
122.07266	4.4
123.04408	1.4
123.08059	26.2
123.11687	7.7
124.05177	1.2
129.07013	1.4
131.04924	3.9
131.08574	2.4
132.05653	2.7
133.02884	7.2
133.06488	69.8
133.10123	31.8
133.10912	0.7
134.06804	1.6
135.04411	4.7
135.08044	10.1
135.11687	46.4
137.05977	14.1
137.09604	20.2
138.10374	2.3
143.06012	3.0
145.10123	1.6
147.04379	2.0
147.08028	3.4
147.11736	5.6
148.05132	2.6
149.02303	1.3
149.05960	3.6
149.13235	9.8
150.03119	1.7
150.06757	17.8
151.11171	6.9
151.14828	4.2
157.10095	1.6
160.05190	2.2
161.05977	37.2
162.06393	1.5
165.05434	1.8
165.09114	24.8
165.16415	1.1
166.09502	1.7
175.07561	2.9
175.11116	2.1
175.14812	28.5
175.16245	2.0
176.15178	1.0
178.02600	5.3
178.06247	4.1
178.07860	2.6
193.04955	23.0
193.08601	49.4
193.10196	3.5
193.12262	3.3
193.15872	41.1
193.17636	2.0
194.09048	2.0
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
53.03940	3.6
55.01866	5.5
55.05509	15.0
57.03418	3.1
57.07059	4.4
58.88449	1.0
59.04980	1.8
59.84043	0.9
65.03929	1.8
67.05499	15.8
67.67297	1.2
69.03423	9.7
69.07066	13.3
69.53760	2.9
69.54177	5.7
71.04977	2.9
77.03888	1.4
79.05487	29.5
80.05825	1.0
81.03416	12.6
81.07056	20.5
83.04984	12.8
83.08614	9.8
85.06523	3.6
90.04687	1.7
91.05479	23.6
92.06247	3.0
93.07040	15.8
94.04167	2.2
95.04957	12.4
95.08600	32.7
97.06536	2.0
97.10150	2.2
99.08067	2.5
103.05465	16.5
104.06232	4.0
105.07026	100.0
106.07346	2.3
107.04947	10.2
107.08595	32.6
109.02856	1.2
109.06521	16.3
109.10149	45.2
110.79204	1.1
111.08081	5.3
115.05460	11.6
117.07032	2.7
118.04167	14.7
119.04922	4.6
119.08570	38.6
120.05721	2.8
120.08949	1.0
121.06529	5.0
121.10135	18.3
122.03636	2.3
122.07266	4.4
123.04408	1.4
123.08059	26.2
123.11687	7.7
124.05177	1.2
129.07013	1.4
131.04924	3.9
131.08574	2.4
132.05653	2.7
133.02884	7.2
133.06488	69.8
133.10123	31.8
133.10912	0.7
134.06804	1.6
135.04411	4.7
135.08044	10.1
135.11687	46.4
137.05977	14.1
137.09604	20.2
138.10374	2.3
143.06012	3.0
145.10123	1.6
147.04379	2.0
147.08028	3.4
147.11736	5.6
148.05132	2.6
149.02303	1.3
149.05960	3.6
149.13235	9.8
150.03119	1.7
150.06757	17.8
151.11171	6.9
151.14828	4.2
157.10095	1.6
160.05190	2.2
161.05977	37.2
162.06393	1.5
165.05434	1.8
165.09114	24.8
165.16415	1.1
166.09502	1.7
175.07561	2.9
175.11116	2.1
175.14812	28.5
175.16245	2.0
176.15178	1.0
178.02600	5.3
178.06247	4.1
178.07860	2.6
193.04955	23.0
193.08601	49.4
193.10196	3.5
193.12262	3.3
193.15872	41.1
193.17636	2.0
194.09048	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
52.49751	0.7
53.03933	5.8
55.01870	5.4
55.05511	5.6
56.96550	0.7
57.03435	28.0
57.07040	1.0
65.03928	3.0
66.04710	1.4
67.05164	1.0
67.05503	16.7
69.03419	3.4
69.07056	2.9
71.04978	2.2
71.12249	1.7
77.03903	1.0
79.05492	29.7
80.05826	0.9
81.03412	45.5
81.07044	10.8
83.04973	3.0
83.08617	5.1
85.06516	2.1
90.04696	1.4
91.05476	37.1
92.06290	1.6
93.07042	25.5
95.04960	23.2
95.08616	6.0
97.06504	1.7
97.10235	0.8
99.08075	1.4
103.05470	16.6
104.06227	3.4
105.03403	1.2
105.07026	100.0
106.07339	0.9
107.04947	9.1
107.08593	6.7
109.06515	5.7
109.10152	6.2
111.04439	2.5
111.08070	1.4
115.05445	13.3
117.07005	3.8
118.04153	11.9
119.04914	3.6
119.08578	34.3
120.05725	2.0
121.06500	21.2
121.10144	2.3
122.03561	1.1
122.07301	2.2
123.04407	1.6
123.08076	3.1
123.11722	1.2
124.05199	1.3
128.06192	1.2
129.07005	4.8
131.04916	4.4
131.08511	4.2
132.05707	3.3
133.02853	3.4
133.06490	66.9
133.10118	20.7
134.07051	1.8
135.04424	3.0
135.08054	6.1
135.11682	1.9
137.05968	11.6
137.09615	13.4
142.07761	4.3
143.04875	0.8
143.06058	2.8
145.06493	1.9
145.10101	1.9
146.07266	2.4
147.04437	1.7
147.08057	8.2
147.11678	17.1
148.05180	1.4
149.02374	1.1
149.05952	2.2
149.09608	1.8
149.13330	0.9
150.06755	9.0
151.07535	2.1
157.10153	5.1
160.05159	1.0
160.08870	2.7
161.05978	35.9
162.06529	1.2
165.05516	2.1
165.09116	16.0
165.12773	1.3
175.07530	1.5
175.11195	19.9
175.14827	4.1
178.02643	4.0
178.06200	3.3
178.07846	4.0
183.98055	1.1
193.04984	13.8
193.08597	39.0
193.10182	5.3
193.12160	12.0
193.14014	1.4
193.15857	1.9
194.08957	1.0
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
53.03936	5.0
55.01860	5.2
55.05504	26.6
56.96552	1.8
57.03414	3.9
57.07059	7.4
59.04992	3.6
65.03938	3.8
67.05170	2.6
67.05500	33.0
68.05014	1.8
69.03418	9.8
69.06708	2.7
69.07061	42.5
69.87420	10.1
71.04998	8.1
74.00153	1.7
77.92271	1.6
78.07726	1.5
79.05483	24.4
81.03410	25.3
81.07056	35.3
83.04972	17.0
83.08613	15.4
85.06524	4.3
91.04948	3.0
91.05470	34.8
93.07037	33.7
95.04955	22.9
95.08597	53.8
97.02873	2.4
97.06516	9.7
97.10141	3.0
103.05465	14.2
105.03413	2.8
105.07022	100.0
106.07335	1.8
107.04924	6.0
107.08591	46.3
109.06518	18.4
109.09435	3.4
109.10142	47.0
111.04399	3.2
111.08069	8.0
111.11692	2.4
115.05444	13.0
117.07018	3.9
118.04134	8.8
119.04934	5.0
119.08568	74.5
119.25010	1.5
120.08894	2.9
121.02850	2.1
121.06510	4.2
121.10133	27.4
122.03624	3.4
123.04407	2.0
123.08063	32.4
123.11699	13.7
125.09624	4.0
129.06982	4.7
131.04855	2.7
131.08531	6.4
133.02850	21.9
133.06483	56.9
133.10117	82.0
135.04362	1.8
135.08029	8.1
135.10655	3.4
135.11681	58.3
136.11931	1.9
137.05975	11.6
137.09602	29.4
137.13298	2.0
142.07774	4.8
143.06030	4.5
145.10063	3.7
147.04347	4.2
147.08064	6.7
147.10597	2.7
147.11673	26.3
148.07539	1.7
148.08679	2.6
149.06017	2.0
149.09589	3.0
149.13234	8.9
150.03087	5.4
150.10158	1.6
151.07521	5.1
151.11171	10.9
151.14763	4.2
157.10144	4.4
159.11661	2.2
160.05045	2.2
160.12508	1.5
161.06015	44.3
165.05473	3.8
165.07010	2.0
165.09114	3.5
165.12720	8.2
165.16389	2.2
175.03857	4.0
175.07570	3.5
175.11224	9.8
175.14806	77.4
176.15227	2.1
178.02583	18.3
178.06197	2.6
178.07959	2.2
179.03407	2.8
193.04944	57.9
193.06761	3.8
193.08662	20.2
193.10329	6.1
193.12106	17.4
193.15862	79.2
194.05391	4.9
194.08092	7.3
194.15349	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	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03944	3.0
55.05505	21.6
57.07067	2.8
67.05502	19.6
69.03407	4.2
69.07059	27.2
71.04987	2.4
71.55955	3.2
77.13326	2.0
79.05476	10.5
79.28026	1.8
81.07048	21.9
83.04974	13.2
83.08620	8.0
85.06525	3.0
91.05463	16.2
93.07025	14.3
95.04954	4.3
95.08038	3.1
95.08592	36.0
97.06533	2.6
103.05429	3.3
105.07017	28.6
107.08590	20.5
109.06527	8.8
109.10143	37.3
109.86683	1.7
111.07980	1.8
115.05424	2.0
117.06983	3.5
119.08569	69.2
121.10135	13.6
123.08074	10.3
123.11696	5.5
125.09666	1.6
131.08577	3.9
133.02863	3.4
133.06493	5.3
133.10120	85.7
134.10539	2.0
135.11682	35.3
137.09608	22.0
145.10109	4.7
147.11674	18.6
149.13274	7.9
151.11180	2.9
151.14795	3.9
160.12479	3.3
161.05997	4.5
175.14809	100.0
178.02547	2.3
186.94070	1.6
193.04976	9.2
193.08643	2.0
193.10309	1.5
193.15865	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02371	1.2
53.03947	4.2
55.01875	5.0
55.05515	5.4
56.96560	1.5
57.03437	31.9
65.03938	2.5
65.43811	0.8
66.04702	1.3
67.05503	13.6
69.03416	3.0
69.07056	2.4
70.16673	0.8
70.23649	3.1
71.04977	1.7
71.77898	0.8
77.03943	1.2
77.57416	0.8
79.05490	25.3
81.03416	37.8
81.07056	10.9
83.04971	2.9
83.08605	3.8
83.30305	0.8
85.06547	2.1
91.05479	32.3
92.06264	1.3
93.06480	1.7
93.07042	25.7
94.04186	0.9
94.07372	1.2
95.04963	21.9
95.08602	4.4
97.06518	2.8
102.04723	1.0
103.05460	17.2
104.06224	3.8
105.07027	100.0
106.07375	1.5
107.04940	8.6
107.08580	6.3
109.02848	1.1
109.06516	5.5
109.10142	6.6
111.04444	0.9
111.08081	1.3
115.05455	14.9
117.07009	4.3
118.04167	10.9
119.04939	4.9
119.07710	1.7
119.08573	35.4
120.05740	2.5
121.06503	21.7
121.10138	2.4
122.03639	2.1
122.07262	4.0
123.08090	2.1
123.11738	1.0
124.05260	0.9
128.06250	1.0
129.07005	5.7
131.04921	3.8
131.08548	4.3
132.05708	3.1
133.02847	3.9
133.06490	66.5
133.10132	21.0
134.07213	1.4
135.04398	3.8
135.08060	7.1
135.11690	1.8
137.05978	8.3
137.09615	14.5
142.07794	3.4
143.04945	1.1
143.06036	2.2
145.06451	2.4
145.10091	1.9
146.07256	2.5
147.04379	1.4
147.08035	7.2
147.11693	18.3
148.05159	1.1
149.02382	1.0
149.05983	2.3
149.09615	2.7
149.12032	0.9
150.03070	0.9
150.06757	11.0
151.07518	2.3
157.10103	5.1
160.05188	1.0
160.08820	2.5
161.05992	36.5
165.05510	1.5
165.09106	15.7
165.12682	1.5
175.11174	20.8
175.14783	1.9
178.02573	2.8
178.06244	2.8
178.07793	2.4
193.04971	15.0
193.08597	39.4
193.10179	6.3
193.12239	14.1
193.13957	1.1
193.15810	2.0
194.09149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03929	1.8
55.01839	1.5
55.05505	19.9
56.47141	0.8
57.03423	2.1
57.07084	6.0
59.04982	2.0
65.03927	1.1
67.05504	16.6
69.03417	3.9
69.06713	1.5
69.07062	23.7
69.70766	6.1
71.04974	2.2
71.08593	1.1
75.54057	0.9
79.05488	8.9
81.03419	1.0
81.07052	18.5
83.04970	12.4
83.08613	6.8
84.50971	0.9
85.06553	2.1
91.05479	13.1
91.18033	1.0
93.03375	0.9
93.07043	17.8
94.04204	1.1
95.04971	6.0
95.08601	35.2
97.06512	3.4
97.10153	1.6
99.08052	1.1
103.05442	3.6
105.03369	2.0
105.07034	34.5
105.07735	1.7
107.04942	1.9
107.08586	19.4
109.06516	9.0
109.10153	34.3
109.19585	0.9
111.08077	3.0
113.10986	1.1
115.05425	4.4
117.06998	2.8
118.04144	2.1
119.08573	64.9
121.02847	1.0
121.10131	13.0
122.03618	3.2
123.08049	10.8
123.11672	7.3
131.08559	2.3
133.02844	27.5
133.06503	13.5
133.10123	79.2
134.10706	1.7
135.08064	2.1
135.11673	32.7
136.11983	1.5
137.05959	8.9
137.09608	19.2
143.06015	1.5
145.10115	4.9
147.04378	1.1
147.08070	1.5
147.10503	1.1
147.11671	20.6
149.05936	2.8
149.13240	10.4
150.03104	3.5
151.11171	3.7
151.14827	3.7
160.12437	4.2
161.05988	11.9
165.05450	3.7
165.09161	1.0
175.03952	1.0
175.14819	100.0
176.15164	2.2
178.02603	18.2
178.06169	1.0
178.07980	1.2
193.04953	71.4
193.08614	6.1
193.10274	2.2
193.12192	3.0
193.14159	2.1
193.15871	36.2
193.17648	1.8
194.05351	2.8
194.08182	1.6
208.96451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02360	1.1
53.03933	3.0
55.01872	4.6
56.96555	2.9
57.03422	2.4
57.07075	1.4
57.17056	0.7
58.09443	0.7
59.04970	0.7
59.07130	0.7
65.03935	1.9
66.04720	1.7
67.05498	2.4
69.03423	1.6
69.07081	0.7
71.62498	0.7
78.04693	0.8
79.05489	28.5
81.03401	2.3
81.07058	2.8
89.03918	1.0
90.04698	2.1
90.22138	0.6
91.05476	17.3
92.06268	2.3
93.07053	3.5
94.04189	1.4
95.04961	7.0
95.08602	2.7
98.21476	2.0
103.05463	21.1
103.69249	0.6
104.06253	3.2
105.03371	1.1
105.07027	100.0
106.07349	1.6
107.04958	10.7
107.08589	2.5
109.06487	3.9
109.10148	1.3
110.01991	0.7
111.04475	1.2
115.05450	13.5
117.07053	1.9
118.04156	16.8
119.05010	3.6
119.08585	3.6
120.05738	4.2
121.06506	6.9
122.03643	1.6
122.07310	5.6
123.04395	1.5
123.08054	1.3
123.11668	0.8
123.44653	0.6
124.05190	1.9
131.04907	4.1
132.05713	3.5
133.02855	2.7
133.06488	79.5
133.10112	3.2
134.07230	2.2
135.04417	7.1
135.08038	6.7
135.11710	0.8
137.04997	1.2
137.05974	16.2
137.07024	0.9
137.09581	1.0
143.04976	0.8
143.06070	2.4
143.08513	1.0
147.08052	1.4
147.11687	2.4
148.05182	3.4
149.02353	1.7
149.05966	2.5
150.03136	0.9
150.06760	19.9
151.07570	1.2
161.05984	38.1
162.06323	0.9
165.05484	1.1
165.09113	33.6
175.03920	0.8
175.07576	0.8
175.11162	1.3
175.14761	1.2
178.02626	2.2
178.06195	2.3
178.07701	10.5
192.09222	0.9
193.04967	11.6
193.08597	31.6
193.10182	20.0
193.12236	3.3
193.15900	2.1
194.09193	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03936	4.0
55.01874	6.3
56.64629	1.0
56.96968	0.9
57.03421	3.8
59.39782	0.8
65.03930	3.4
66.04702	2.2
67.05513	1.2
70.24293	4.3
77.03912	1.5
78.04683	1.4
79.05493	38.8
81.07014	1.2
90.04702	2.2
91.05479	24.6
92.06261	3.9
93.03419	1.4
93.07058	2.6
94.04189	3.8
95.04993	6.8
103.05472	26.8
104.06234	4.4
105.03407	1.1
105.04518	2.0
105.07032	100.0
106.07346	2.2
107.04951	18.3
107.08620	1.5
108.05726	1.4
109.06528	5.2
111.04440	1.5
115.05441	10.0
117.07013	2.5
118.04157	22.3
119.04971	5.9
120.05709	7.7
121.06509	13.2
122.03638	2.9
122.07279	9.7
123.08106	1.1
124.05193	3.2
125.05992	1.1
131.04912	2.9
132.05692	4.8
133.06496	79.9
134.07307	5.0
135.04436	13.5
135.08060	10.1
137.05977	25.8
137.09547	1.0
147.04449	1.5
147.08034	1.0
148.05177	6.1
149.05959	3.5
150.06763	31.5
151.07399	1.0
161.05974	5.5
165.09116	50.3
178.02788	1.0
178.06262	6.3
193.05037	4.5
193.08612	42.0
208.18468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Carpacin
Peak:m/z	Relative Intensity
51.02373	0.5
53.00313	0.7
53.03947	2.6
53.92632	0.5
55.01876	3.2
55.05505	0.8
57.03431	1.5
57.89865	0.4
65.03945	1.0
66.04729	0.6
67.05494	2.3
68.99796	0.4
69.03444	0.6
69.07069	0.5
71.25603	0.9
71.25924	0.5
77.03918	0.8
79.05490	25.1
81.03386	1.1
81.07041	1.8
81.50874	0.6
85.02904	3.1
91.05476	12.6
92.06281	1.1
93.03444	0.5
93.07039	2.0
94.04161	0.9
95.04965	8.7
95.08610	1.4
103.05465	38.0
105.03371	1.7
105.04517	1.3
105.07029	53.6
106.07383	1.0
107.04950	68.9
107.08591	2.4
108.05260	1.1
109.02840	0.6
109.06535	2.5
109.10132	1.2
115.05450	7.6
117.07035	3.1
118.04163	1.6
119.04933	2.1
119.08589	1.6
120.02092	0.7
120.05735	6.9
121.06525	1.3
122.03645	1.2
123.08070	1.1
124.05241	0.7
131.04942	2.7
133.02847	0.6
133.06477	11.6
133.10132	1.8
135.04410	1.7
135.08046	100.0
136.08411	2.6
137.05959	3.5
137.09639	0.7
145.06473	0.8
145.07587	1.2
147.04370	1.4
147.11719	0.8
148.05177	5.1
149.02385	0.7
150.03107	1.2
150.06711	2.3
151.03943	3.1
151.07660	0.5
152.04674	10.5
161.06003	4.5
163.03879	0.9
163.07538	34.7
164.07838	0.7
165.05467	95.3
165.09065	3.2
166.05814	2.9
175.11128	0.6
175.14847	1.2
178.02612	1.2
178.06230	2.7
178.07863	1.8
181.08607	0.8
193.04991	6.0
193.08604	57.9
193.10118	3.9
193.12283	2.0
193.15813	1.2
194.08937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.101
Annotation	5H-dibenzo[a,d][7]annulene
Peak:m/z	Relative Intensity
55.01845	0.1
56.96558	0.3
61.68568	0.2
66.99188	0.1
67.05483	0.2
68.83086	0.1
71.01320	0.1
71.64674	0.2
71.65321	0.1
77.56094	0.1
79.05481	0.8
81.03378	0.1
81.07031	0.4
91.05472	1.0
93.07010	0.3
95.04946	0.4
95.08591	0.2
103.05463	0.6
105.07027	2.6
107.04932	0.4
109.06478	0.3
109.10138	0.2
115.05457	0.6
117.07027	0.2
118.04156	0.3
119.04971	0.3
119.08560	0.8
121.06419	0.2
122.07288	0.1
128.06232	0.2
129.06938	0.1
131.04962	0.2
133.02846	0.2
133.06485	1.9
133.10100	0.4
135.04381	0.3
135.08060	0.3
137.06018	0.3
143.08505	0.2
145.38319	0.1
147.08055	0.4
147.11632	0.2
149.05940	0.1
150.06734	0.3
152.06171	1.2
153.06947	0.4
161.06024	0.7
165.05559	0.2
165.06995	1.9
165.09091	0.6
166.07771	0.2
175.07542	0.4
175.11143	0.2
175.14690	0.2
176.06195	0.5
177.06976	0.7
178.07764	48.8
179.08107	2.0
191.08513	0.9
192.09326	4.1
193.10121	100.0
194.10455	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	193.086
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03944	4.0
55.01871	5.1
57.03417	2.5
59.04987	1.0
65.03928	2.8
66.04720	1.7
67.05501	1.4
69.03448	0.9
71.11547	1.2
71.11887	1.7
77.03912	1.1
78.04664	1.8
79.05494	36.0
90.04688	1.9
91.05480	23.7
92.06275	4.3
92.50903	0.9
93.07034	2.0
94.04188	0.9
94.07806	1.0
95.04962	7.4
103.05462	30.2
104.06259	4.8
105.03380	1.4
105.07029	100.0
106.07339	1.6
107.04951	16.4
108.05740	1.3
109.02856	1.4
109.06497	3.7
111.04401	1.3
115.05451	10.6
117.07021	4.6
118.04166	27.7
119.04973	6.3
119.05747	1.1
120.05707	9.1
121.06506	13.5
122.03644	3.2
122.07284	9.3
123.08035	1.3
124.05227	4.2
125.05991	0.9
131.04904	5.0
132.05714	4.9
133.06490	80.3
134.07326	5.2
135.04405	12.8
135.08038	9.8
137.05977	26.2
145.06482	1.0
146.07315	0.9
147.04433	1.2
148.05199	7.5
149.05946	4.7
150.06760	31.8
161.05983	6.0
165.09113	56.5
178.06236	6.4
193.08600	41.8
208.78534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02371	1.1
53.03946	5.3
55.01866	5.1
55.26536	0.8
57.03432	1.2
65.03931	3.3
66.04707	2.2
70.09256	3.9
70.09673	1.8
77.03911	2.7
78.69701	0.9
79.05489	43.2
81.03387	0.9
90.04709	1.9
91.05474	23.7
92.06252	3.9
93.03363	1.5
93.07041	3.6
94.04176	3.3
95.04962	7.7
97.06502	1.1
98.21405	1.0
103.05466	29.8
104.06274	5.0
105.03386	2.8
105.07025	100.0
106.07362	1.5
107.04950	17.1
108.05755	1.3
109.02886	1.0
109.06506	4.2
111.04460	1.0
115.05457	8.9
117.07018	2.4
118.04159	29.0
119.04985	7.1
120.05730	7.9
121.06517	11.8
122.03655	2.9
122.07286	9.4
123.08118	1.3
123.67442	1.0
124.05193	2.4
131.04926	4.8
132.05707	5.8
133.06485	73.7
134.07288	5.8
135.04407	13.4
135.08043	11.5
137.05969	28.0
147.04408	1.3
148.05190	7.4
149.05998	4.7
150.06750	35.7
161.05978	2.9
165.09109	53.3
176.49438	0.9
178.06226	4.8
193.08601	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	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03951	4.3
55.01865	5.8
57.03416	1.8
65.03924	1.9
66.04710	1.5
67.05489	2.8
69.03413	1.3
69.07034	2.4
70.26709	4.8
71.04978	1.1
78.04697	1.0
78.78522	0.9
78.83774	0.8
79.05489	31.4
81.03424	1.0
81.07041	3.1
83.84341	0.8
89.03881	1.2
90.04688	1.8
91.05476	18.7
92.06292	4.2
93.03396	1.4
93.07035	4.7
94.04176	2.4
95.04958	9.2
95.08587	2.2
97.06518	0.9
103.05459	26.5
104.06272	4.6
105.03373	1.2
105.07025	100.0
106.07352	1.0
107.04948	15.9
107.08634	4.2
107.53674	0.9
108.05764	1.3
109.02859	1.7
109.06506	9.9
109.10148	2.0
115.05444	8.7
117.07041	2.3
118.04157	32.0
119.04957	7.1
119.08533	1.9
120.05737	8.0
121.06516	11.1
121.10188	0.9
122.03635	3.7
122.07278	7.6
123.04424	1.1
123.08039	1.1
124.05215	5.4
128.83887	0.9
131.04897	3.4
132.05701	3.5
133.02837	1.9
133.06487	75.2
133.10104	2.5
134.07327	5.1
135.04419	11.0
135.08055	13.8
135.11652	3.5
137.05977	23.1
137.07036	1.1
137.09633	2.1
147.04359	1.5
147.08029	1.8
147.11707	1.0
148.05147	5.5
149.05960	4.3
150.06752	27.8
151.07481	1.9
151.11226	1.0
161.05968	14.2
165.05399	3.0
165.09103	49.2
175.07555	2.0
175.14813	3.4
178.02615	1.1
178.06229	3.8
178.07796	2.1
193.05017	4.5
193.08595	35.3
193.10156	3.9
193.12029	1.3
193.15906	4.4
193.17419	0.8
194.08949	1.1
207.40709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03926	1.5
55.01859	1.5
55.05507	2.5
57.03409	0.8
57.07072	0.9
59.04983	0.6
65.03930	1.1
66.04729	0.6
67.05500	3.1
68.99779	0.6
69.03410	0.8
69.07057	2.5
70.24357	1.9
71.04960	0.9
74.02570	0.4
77.03905	0.7
78.04710	0.5
79.05055	0.5
79.05489	7.8
81.03398	1.5
81.07044	3.7
83.04998	1.9
83.08604	0.9
84.08163	0.4
85.02910	0.5
85.06561	0.5
89.03899	1.1
91.05474	7.5
91.25865	0.4
93.07033	3.2
94.04179	1.4
95.04955	3.6
95.08593	4.3
96.60329	0.4
97.02860	0.5
97.06530	1.1
101.22552	0.5
103.05452	6.6
104.06228	0.9
105.03358	2.0
105.07027	43.7
106.07349	0.7
107.04956	2.1
107.08583	3.9
109.06528	2.8
109.07648	0.6
109.10143	3.9
111.08099	0.8
113.73309	0.4
115.05456	8.7
117.03360	0.9
117.07020	0.8
118.04153	4.5
119.04902	1.6
119.08572	8.4
121.02869	0.4
121.06483	1.2
121.10126	1.6
122.03646	5.4
122.07222	0.5
123.04416	0.7
123.08070	2.2
123.11706	0.8
129.07016	0.5
131.04893	2.4
131.08557	0.8
132.05705	1.3
133.02850	45.7
133.06483	35.8
133.10115	8.8
134.03217	0.7
134.06906	0.6
135.04350	0.7
135.08046	1.4
135.11697	3.6
135.76236	0.4
137.05977	12.5
137.07034	0.6
137.09589	2.0
140.81210	0.4
143.04929	0.8
143.06030	2.2
145.10101	0.8
146.97401	0.7
147.04385	3.7
147.08034	1.8
147.11693	3.5
149.02267	0.8
149.05965	3.8
149.13300	0.9
150.03105	6.3
150.06602	0.5
151.03889	0.9
151.07506	1.1
151.11169	0.8
152.40033	0.4
160.05191	0.5
161.02411	1.0
161.05975	34.9
162.06580	0.7
165.05472	6.4
165.09105	1.7
175.03891	1.5
175.07504	2.0
175.11198	1.3
175.14818	7.2
178.02605	25.4
178.07732	2.1
179.03101	0.8
193.04956	100.0
193.08583	12.0
193.10242	3.4
193.12241	2.6
193.14310	0.7
193.15860	4.6
194.05309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	Carpacin
Peak:m/z	Relative Intensity
51.02383	0.6
53.00304	0.7
53.03942	3.8
55.01870	2.1
57.03415	0.9
64.03174	0.6
65.03931	1.0
67.05494	1.4
69.03425	0.6
69.60274	4.3
77.03910	1.2
78.04704	0.6
79.05492	24.6
81.07051	0.8
85.02892	3.1
91.05478	9.8
92.06258	1.5
93.07030	1.4
94.04146	0.9
94.36069	0.5
95.04968	8.5
98.20805	0.9
103.05466	37.9
104.05722	0.7
104.06309	0.6
105.03393	1.5
105.04523	1.4
105.07029	47.0
106.07339	1.0
107.04951	65.8
107.08585	1.1
108.05288	1.2
109.06508	1.8
115.05460	7.5
117.06990	3.5
118.04179	0.5
119.04952	0.9
120.05726	7.7
120.29328	0.5
121.06538	1.4
122.03658	1.0
123.04395	0.8
124.05151	0.6
131.04938	2.2
133.02826	0.5
133.06497	7.5
135.04440	1.5
135.08047	100.0
136.08376	2.3
137.06017	2.7
137.09598	0.8
145.06523	1.0
145.07620	0.7
148.05188	4.2
150.03113	0.6
150.06747	0.9
151.03917	3.4
151.04959	0.6
152.04688	11.0
156.17902	0.6
161.05980	1.4
163.07541	35.1
164.07939	0.9
165.05475	96.6
165.09132	1.9
166.05826	2.6
178.06297	2.7
178.07626	0.7
181.08565	1.6
186.94888	0.5
193.04955	1.8
193.08607	54.5
194.08990	0.9
202.76534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
50.33896	0.2
71.17593	0.6
82.77212	0.2
91.05486	0.4
104.84184	0.3
106.06554	0.3
116.10771	0.6
129.24606	0.2
132.95862	0.3
146.05974	0.5
148.07576	3.5
149.08351	9.5
150.08682	0.3
150.96878	0.4
151.07594	0.4
160.05092	0.5
160.07597	0.4
164.10754	0.3
176.07082	1.2
177.07851	70.9
178.08192	1.8
192.10188	100.0
193.04950	0.3
193.10536	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	192.1016
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
53.03957	0.2
55.01867	0.2
55.05507	0.3
67.05499	0.5
69.03452	0.2
71.19539	0.4
74.31979	0.1
79.05479	0.4
81.03428	0.6
81.07027	0.2
83.08598	0.2
85.06519	0.2
91.05495	0.6
92.05819	0.2
93.07024	0.4
95.04984	0.4
95.08623	0.3
99.08106	0.2
103.05445	0.2
105.07023	1.3
106.07358	0.3
107.08582	0.4
108.08892	0.2
109.06570	0.3
109.10147	0.4
115.03469	0.1
119.04926	0.1
119.08580	0.6
121.08855	0.3
121.10133	0.2
122.10485	0.1
123.08079	0.2
131.04909	0.3
131.08495	0.2
132.05521	0.2
132.08035	0.2
132.08916	0.2
133.06493	0.6
133.10117	0.7
134.10490	0.2
135.08107	0.2
135.11649	0.3
136.08423	0.3
137.06050	0.2
146.05995	1.3
146.10507	0.2
147.11679	0.4
148.07568	3.8
148.11971	0.2
149.08353	10.3
150.08725	0.2
150.09990	0.3
151.07552	0.4
160.05040	1.1
160.07579	0.4
161.05969	0.5
161.08354	0.5
163.07521	0.2
174.13612	0.3
175.14799	0.5
176.07071	1.1
177.07838	66.0
178.08157	1.7
190.08594	0.2
192.10178	100.0
193.04915	0.9
193.08658	0.2
193.10497	2.8
193.15842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02390	0.4
53.03949	0.6
54.94002	0.3
55.01874	1.0
55.05507	0.5
56.96569	0.3
57.07069	0.2
60.67576	0.2
65.03957	0.4
66.04713	0.4
67.05505	0.5
68.99807	0.2
69.03436	0.3
69.07072	0.6
71.22758	0.6
77.03934	0.7
79.05490	2.8
81.03424	0.4
81.07048	1.1
83.08588	0.3
89.03916	1.2
91.05470	2.7
92.37288	0.3
93.07067	0.5
94.04179	1.0
94.84844	0.3
95.04962	1.9
95.08608	0.9
97.06529	0.5
103.05460	3.0
105.03389	1.5
105.07029	18.6
106.04183	0.3
106.07342	0.3
107.04945	1.0
107.08605	0.7
109.06498	0.9
109.10177	0.8
115.05445	3.8
117.03365	0.7
118.04155	2.3
119.04946	0.4
119.08610	1.4
121.02889	0.3
121.06548	0.3
121.10118	0.3
122.03648	6.6
122.04484	0.4
123.04398	0.4
123.08137	0.4
131.04945	0.6
131.86647	0.3
132.05746	0.3
133.02850	41.2
133.06483	15.9
133.10124	1.4
134.03619	0.5
134.06929	0.3
135.04401	0.3
135.08014	0.4
135.11713	0.8
137.05981	12.1
137.09634	0.4
138.06339	0.5
143.05014	0.4
143.06050	1.1
145.10153	0.4
146.97435	0.3
147.04408	1.0
147.08022	0.3
147.11674	0.9
149.05981	3.6
150.03120	4.9
151.11186	0.4
157.01576	0.3
161.02379	0.8
161.05983	16.1
165.05493	4.9
165.06834	0.2
165.09123	0.4
175.03920	0.4
175.07533	0.4
175.11195	0.5
175.14807	1.1
178.02608	26.3
178.07835	0.7
179.02942	0.5
193.04961	100.0
193.08514	4.1
193.12238	1.0
193.15903	0.9
194.05299	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03930	1.5
54.89832	0.4
55.01860	1.3
55.05505	4.6
57.03437	1.0
57.07059	0.8
59.04981	0.6
65.03940	1.1
67.05504	6.6
69.03424	1.8
69.07063	3.2
71.01353	0.4
71.04976	1.5
71.63384	0.6
74.21304	0.4
77.03944	0.9
77.35168	0.4
79.05489	7.0
80.32275	0.4
81.03416	15.1
81.07054	6.6
83.04960	2.1
83.08605	2.8
85.06532	1.2
89.03907	0.8
91.05478	6.8
93.07036	7.4
94.04171	1.5
95.04960	8.0
95.08048	0.7
95.08607	7.0
97.06511	0.8
97.10199	0.5
99.08083	1.7
101.21824	0.5
103.05479	2.7
104.06270	0.7
104.80283	0.4
105.03413	2.1
105.07033	16.1
107.04943	1.9
107.08601	7.6
109.06528	3.8
109.10149	7.2
111.08043	1.4
115.05467	2.3
117.03381	0.7
117.07030	0.9
118.04148	1.4
119.04922	0.7
119.08575	9.3
121.06521	0.6
121.10149	3.8
122.03635	6.7
123.08073	3.6
123.11732	2.1
129.06987	1.4
131.04932	1.0
131.08562	1.2
133.02850	47.3
133.06485	11.1
133.10126	9.3
135.04335	0.7
135.11696	10.7
137.05971	12.7
137.09610	4.6
138.06133	0.4
142.07727	0.6
143.06053	0.9
147.04353	0.9
147.08037	1.3
147.09126	0.4
147.11667	2.9
149.02380	1.0
149.05997	3.0
149.09624	0.9
149.13237	1.8
150.03119	4.6
150.06747	0.4
151.11140	1.2
151.14876	0.5
157.10089	1.0
161.02359	0.6
161.05966	9.5
165.05481	3.9
165.06786	0.7
165.09137	1.5
165.16350	0.6
166.32864	0.5
175.07501	0.6
175.11145	1.4
175.14842	8.3
178.02612	25.6
178.08046	1.1
179.02931	0.5
193.04964	100.0
193.08630	7.9
193.10493	2.1
193.12241	2.5
193.15874	11.6
194.05312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01884	5.3
55.05503	2.7
56.05022	3.4
56.96565	100.0
57.03434	12.5
58.06596	1.3
59.04997	4.4
60.04517	1.2
60.95838	5.1
61.02923	7.4
67.05489	1.6
68.05019	4.9
69.03426	17.8
70.06590	10.7
70.44337	3.4
70.98115	3.7
71.01353	2.3
71.04997	11.7
71.95262	2.9
72.04531	2.6
72.08143	2.2
73.02921	13.5
74.06071	1.2
74.97606	2.5
75.04478	1.7
79.05503	1.8
81.03425	8.2
81.07055	1.4
82.03763	1.8
83.00789	3.2
83.04964	3.2
83.06109	1.8
84.08138	3.6
84.96042	3.4
85.02907	19.0
86.06039	2.1
86.09694	1.5
87.04468	12.6
88.07624	1.4
88.86678	1.0
88.99167	2.0
89.00790	1.2
91.02402	1.0
91.05494	3.1
92.01292	3.5
94.04095	1.2
95.04962	2.0
95.06139	1.5
95.08611	1.2
96.04530	1.4
97.02328	2.5
97.02884	35.1
97.96791	1.5
98.01316	1.9
98.03606	1.5
98.09692	3.3
98.96931	1.9
98.97579	35.4
99.02048	2.3
99.04466	7.6
99.97923	2.7
100.02477	1.9
100.07592	1.3
101.00851	2.7
101.06022	4.6
102.05524	2.0
102.09170	4.4
102.96870	4.8
103.02335	1.2
104.01292	5.1
105.07027	2.1
106.02853	5.0
106.06523	1.4
106.47496	1.3
106.53059	1.4
107.04948	1.6
108.02430	1.4
109.00500	1.6
109.02853	5.4
110.01286	4.4
110.07166	2.0
110.97552	6.6
111.02086	1.3
111.97952	1.7
112.02837	1.8
112.07602	1.5
112.99134	7.4
113.01804	4.2
113.98673	2.3
114.05541	12.9
114.06779	2.3
115.01610	1.2
115.02379	2.3
115.03216	1.5
115.03967	5.4
115.97842	1.2
116.00316	1.0
116.01273	1.7
116.07042	1.6
116.98610	21.6
117.02070	3.8
117.52308	1.0
118.02806	1.6
118.03559	1.2
119.01834	11.2
120.02642	2.4
120.03429	1.0
120.97926	1.9
121.01611	1.3
121.05106	3.9
122.02333	1.3
123.01231	1.2
123.02059	1.9
123.04443	1.4
124.02888	1.7
124.99131	1.6
125.01792	2.0
125.04496	1.6
125.06976	2.4
125.98673	2.3
126.02602	3.2
126.05334	2.3
127.01599	1.2
127.03928	4.4
128.02319	3.3
128.05313	2.3
128.07091	3.9
128.52507	1.4
128.98616	9.5
129.03073	1.1
129.05482	4.1
130.08638	2.6
130.52606	1.6
131.00175	13.3
131.01888	3.8
131.99680	5.1
132.00560	1.9
132.04369	1.4
132.10158	1.3
133.01663	2.3
133.03464	2.4
133.05110	1.2
134.02316	3.4
134.03465	1.2
134.99637	11.6
135.03067	2.7
136.06123	6.9
137.05969	1.3
138.05446	1.2
140.02310	1.8
142.01859	1.2
142.03848	1.8
143.00179	4.2
143.01886	1.3
143.99695	4.0
145.01752	2.2
145.03459	3.0
146.02312	2.4
146.03598	1.5
146.99644	11.0
148.03874	4.1
148.06187	2.8
148.07483	1.4
149.01199	12.0
149.02933	1.6
149.04634	1.9
149.08235	1.3
150.00688	3.5
150.01678	2.0
150.96962	4.2
150.99146	1.5
151.07332	1.4
152.05730	1.7
153.00601	2.7
153.06398	1.6
155.01851	1.8
155.02902	1.5
156.06552	27.1
157.01680	2.3
157.04922	2.2
158.99634	6.2
159.03221	1.5
160.05092	5.2
160.97627	1.5
161.01216	3.8
161.02931	3.3
162.00690	3.1
162.98982	1.3
163.02765	3.4
163.04439	2.0
164.07074	1.6
165.00711	5.6
167.02153	1.5
168.02786	1.9
168.05223	1.6
168.98022	7.1
168.99277	3.2
169.01643	1.5
170.99603	2.6
173.01268	3.6
173.02994	3.8
174.07578	7.3
174.08943	1.7
174.14925	4.4
174.99089	1.4
175.02811	1.9
175.07431	2.6
176.05554	3.8
177.00729	5.6
177.07820	6.6
180.04593	4.2
185.02960	2.2
186.99072	13.9
187.00313	41.7
187.02644	6.2
189.00700	5.4
192.04970	1.8
192.06569	4.1
192.08720	8.0
192.10226	12.2
192.17552	3.8
193.00174	2.7
193.03682	2.0
193.05287	1.5
193.08379	3.1
201.00714	1.9
205.01416	48.0
205.03668	2.4
206.06955	1.2
207.01779	2.7
210.01994	2.1
211.01315	1.7
211.04721	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	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.05478	0.2
56.96530	0.2
57.74567	0.2
57.74905	0.1
58.41140	0.2
60.75550	0.1
64.14056	0.1
65.11903	0.1
65.87911	0.2
69.07012	0.2
70.06571	0.2
71.20537	0.2
71.63934	0.3
71.64285	0.2
75.81971	0.2
79.05441	0.2
81.03387	0.2
83.06070	0.2
86.09675	0.4
86.14883	0.2
87.58580	0.2
91.05435	0.6
92.04982	0.3
92.05799	0.2
93.07040	0.2
93.19714	0.2
95.04934	0.2
102.15783	0.2
105.04472	0.2
105.06994	0.7
106.06571	0.3
106.07321	0.3
107.08585	0.2
110.07191	0.9
118.04152	0.2
118.06486	0.2
119.04985	0.2
123.04410	0.2
132.05565	3.1
132.08905	0.2
133.02835	0.9
133.06412	0.8
134.10509	0.2
135.05533	0.4
135.07942	0.2
137.05933	0.4
146.05992	0.6
147.04326	0.2
148.07582	0.2
149.08301	0.4
150.96855	0.5
160.05054	100.0
161.05353	1.4
164.07051	0.3
164.52107	0.2
165.05418	0.2
174.05663	0.2
174.13641	0.2
177.07849	1.7
178.02646	0.6
192.07703	16.6
192.10118	3.0
192.14690	0.2
192.17509	0.7
193.04976	2.5
193.08342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03944	2.4
55.05268	1.6
55.05511	23.3
57.07068	7.0
65.03922	2.0
67.05504	20.1
67.64494	1.1
69.03410	1.7
69.07066	43.3
70.57671	4.7
70.58089	2.1
73.42479	1.1
73.43188	1.1
79.05491	20.7
81.07050	39.2
83.08617	16.2
91.05472	19.1
93.07038	70.1
95.04961	4.4
95.08604	59.4
96.08972	1.3
97.10166	16.8
102.04655	1.5
103.05473	6.2
105.07028	13.5
107.04922	1.7
107.08586	100.0
108.08879	2.0
109.06515	4.4
109.10153	58.6
109.31422	1.1
110.10495	1.4
111.04469	1.2
115.05457	1.6
117.07024	3.7
118.04179	1.8
119.08562	4.8
121.06487	1.9
121.10140	67.4
122.10468	2.4
123.08076	2.0
123.11719	11.8
129.06929	1.4
130.04146	1.5
131.04918	5.6
131.08569	5.1
133.06500	1.8
133.10130	5.7
135.08109	5.9
135.11685	89.7
145.06488	1.5
145.10141	5.4
146.05974	1.2
147.11621	1.6
148.05222	1.9
149.06029	1.5
149.09584	2.9
149.13260	17.3
160.05006	1.5
163.07544	4.4
163.11182	1.8
163.14850	2.6
170.10251	1.3
173.05969	1.7
173.09673	3.2
173.13239	3.1
176.04683	3.6
191.07016	6.0
191.10666	4.0
191.14291	18.8
191.17952	60.0
192.10133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08672	1.0
53.03925	2.5
53.47804	0.9
55.01859	1.5
55.05506	30.6
56.96557	0.8
57.03434	1.8
57.07076	7.2
65.03938	1.6
67.05170	1.8
67.05502	26.0
68.63955	0.8
68.84019	0.9
69.03410	5.0
69.07063	37.7
71.04978	2.8
71.64709	1.4
73.00407	0.9
79.05488	31.3
81.03426	1.0
81.06577	2.2
81.07051	43.2
82.07421	1.1
83.04967	3.0
83.08138	1.7
83.08610	23.9
85.06548	1.7
91.05471	24.1
93.07037	73.3
95.01318	1.6
95.04969	6.6
95.08601	68.9
96.08932	1.3
97.06532	1.9
97.10160	12.1
99.04450	1.7
102.04671	2.4
103.05458	9.8
105.07024	37.2
106.07304	1.4
107.04958	4.8
107.08587	97.8
108.08923	1.5
109.06521	5.7
109.10148	52.1
111.08060	1.4
111.11713	1.6
115.05451	3.5
117.07024	9.8
118.04151	8.1
119.04910	1.5
119.06065	1.0
119.08580	12.5
120.08037	1.0
121.06507	4.7
121.10135	100.0
122.10447	2.0
123.08050	2.9
123.11673	8.1
125.02341	1.8
128.06207	2.1
129.06973	2.6
130.04132	4.4
130.07800	2.3
131.04922	7.5
131.08549	17.0
132.05618	1.4
133.06511	2.0
133.10120	31.5
134.10550	0.8
135.04361	1.5
135.08049	14.4
135.11682	81.6
136.12042	1.7
143.08549	5.0
145.06487	5.3
145.10132	16.8
146.03539	1.6
146.05992	1.8
147.04393	2.5
147.11681	8.2
148.05185	5.0
148.07532	0.9
149.05945	3.8
149.09601	9.0
149.13243	28.9
158.10893	4.3
160.05051	4.0
161.09560	1.2
163.03897	1.5
163.06319	1.1
163.07532	5.8
163.11206	3.6
163.14793	3.4
164.07085	1.1
173.05992	2.4
173.09608	3.2
173.13254	18.5
174.78102	1.0
176.04681	6.1
176.11957	1.6
177.07800	5.4
191.03337	4.5
191.05333	1.6
191.07007	16.0
191.08635	1.7
191.10666	10.5
191.14308	39.4
191.17935	67.7
192.06551	4.0
192.10133	10.0
192.14552	1.4
192.18216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03943	3.4
55.05510	38.7
57.07059	6.1
57.10424	1.3
65.03949	1.4
67.05505	30.1
69.03395	1.4
69.07068	36.2
69.78062	1.3
70.75083	3.4
79.05493	33.3
81.07057	62.6
83.08617	21.4
88.06403	1.6
91.05466	17.8
93.07042	80.1
94.07347	2.1
95.04983	3.1
95.08604	97.2
96.08920	2.6
97.10170	16.3
102.04651	2.1
103.05463	3.6
105.07024	16.8
107.08591	92.9
109.10151	61.7
110.10453	1.9
111.11709	4.4
117.06979	3.9
118.04148	3.9
119.08561	5.4
121.06510	3.1
121.10140	94.7
122.10416	1.4
123.11693	11.0
124.91168	1.4
128.32495	1.2
129.82368	1.6
130.04124	1.9
131.04926	3.3
131.08594	4.3
133.10114	4.9
133.39693	1.3
135.08080	13.0
135.11685	100.0
136.12065	1.9
145.06432	3.9
145.10130	4.2
147.11714	2.4
148.05197	1.9
149.06038	1.7
149.09619	2.3
149.13251	25.2
160.05022	2.2
163.07512	2.9
163.14813	4.2
169.03368	2.3
171.61935	1.5
173.13272	3.3
174.32036	1.4
176.04698	2.6
177.07762	1.8
191.03386	1.7
191.06990	4.8
191.10669	4.1
191.14310	22.7
191.17944	74.3
192.10191	3.2
192.18344	2.0
198.68651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03936	1.1
55.01864	1.0
55.05505	3.6
57.03428	0.4
57.07067	1.6
65.03942	0.5
66.04700	0.4
67.05503	4.1
69.03425	2.6
69.07064	3.9
70.24406	1.5
71.04975	1.2
77.03900	0.5
79.05053	0.5
79.05489	5.9
81.07053	7.0
83.04972	1.2
83.08187	0.3
83.08626	2.1
84.02100	0.6
90.04637	0.3
91.05474	13.2
92.05775	0.3
93.07040	12.4
95.01304	1.1
95.04954	2.4
95.08600	7.0
97.06521	0.8
97.10160	1.7
99.04447	0.6
102.04676	1.4
103.05462	4.0
103.79348	0.3
105.03391	0.4
105.07026	46.5
106.07353	1.1
107.04964	2.8
107.08585	13.5
109.06494	2.2
109.10147	6.5
115.05438	4.3
116.06216	1.1
117.07008	29.5
118.04140	2.0
118.07845	0.9
119.04927	1.0
119.08573	10.1
121.05640	0.6
121.06501	6.5
121.09300	0.7
121.10137	10.5
121.11021	0.5
123.08029	1.7
123.11693	1.1
125.02345	0.8
128.06210	3.3
129.07030	3.4
130.04100	1.5
130.06906	0.5
130.07777	13.4
131.04909	2.4
131.08569	8.8
132.09338	0.4
133.06461	1.1
133.10114	4.1
135.04375	0.9
135.08047	23.0
135.11688	9.2
143.03358	0.4
143.08568	5.7
145.06499	2.0
145.10115	100.0
146.03607	0.4
146.06006	0.7
146.07176	0.5
146.10486	2.9
147.04375	0.6
147.08072	1.6
147.10657	0.4
147.11693	4.6
148.05151	1.3
149.05954	1.4
149.09621	2.2
149.13258	2.7
155.08517	0.5
158.07233	1.2
158.10922	1.3
160.05051	1.4
161.09625	4.7
163.03940	0.6
163.07532	2.1
163.11180	7.7
163.14822	0.9
173.05936	0.7
173.09637	4.3
173.13274	2.7
176.04694	2.1
176.11943	0.5
177.07892	1.4
191.03416	1.8
191.06985	5.0
191.10678	29.2
191.14294	16.2
191.17931	5.9
192.06499	0.8
192.09970	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03927	1.0
55.01862	1.4
55.05506	3.7
57.07054	1.2
67.05498	16.7
69.03399	0.9
69.07070	4.4
70.10571	2.0
70.10991	2.6
71.04982	7.1
79.05487	5.0
81.07055	7.5
83.04962	1.3
83.08601	2.1
85.06525	2.1
91.05471	9.7
93.07040	7.3
95.04961	8.2
95.08607	5.5
97.06496	2.4
98.20812	1.0
102.04626	1.0
103.05464	8.0
105.07029	17.0
107.04928	1.8
107.08593	11.8
109.06503	8.8
109.10149	100.0
110.10487	1.8
115.05437	1.2
116.06261	0.9
117.07018	3.6
118.04148	3.3
119.04924	1.3
119.08578	5.0
120.05746	0.9
121.02859	0.9
121.06516	2.0
121.10136	9.5
123.08036	2.3
129.06969	2.3
130.04138	1.9
131.04951	5.3
131.08563	30.0
132.05673	1.4
133.02783	1.0
133.06496	1.4
133.10120	11.1
135.08037	9.6
135.11649	2.5
143.08560	2.0
144.09322	1.0
145.06436	1.0
145.10139	8.2
147.08035	1.2
147.11691	5.8
148.05173	7.4
148.08801	1.0
149.09630	5.6
149.13229	4.8
158.10898	5.3
161.09628	1.3
163.03886	0.8
163.07512	10.0
163.11197	1.4
173.06017	0.8
173.13255	29.4
176.04747	1.7
176.12021	0.9
185.36800	0.9
190.07663	1.1
191.03377	7.7
191.07021	10.5
191.08524	4.6
191.10616	3.1
191.14293	36.8
191.16061	1.7
191.17924	1.6
192.10187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03930	2.9
54.09764	0.9
55.01862	2.2
55.05507	7.1
57.07070	1.9
65.03930	2.3
66.04720	2.4
67.05508	9.3
69.03416	6.0
69.07072	11.0
71.05001	6.3
71.63458	1.3
71.63876	1.0
73.77629	0.9
77.03882	0.9
78.04700	1.3
79.05059	1.5
79.05490	15.8
81.03429	1.8
81.07052	13.5
83.04983	2.1
83.08619	3.7
85.06540	3.9
86.33523	1.1
88.42605	0.9
89.03904	1.6
90.04696	3.3
91.05478	25.8
92.06251	2.5
93.06482	1.3
93.07043	22.4
95.04970	9.1
95.08604	18.4
97.06529	7.1
97.10139	1.8
102.04709	7.2
103.05464	100.0
105.03389	12.0
105.04507	1.7
105.07024	30.2
106.04151	1.0
107.04941	10.2
107.08593	30.3
109.06504	6.8
109.10149	16.7
111.08094	1.7
115.05446	10.3
117.03400	1.4
117.06994	9.9
118.04161	29.5
118.05020	1.5
119.04938	10.3
119.08577	11.7
120.05724	6.1
121.06511	5.5
121.10140	26.7
123.08044	3.0
123.11678	1.8
126.09929	0.9
129.06998	2.3
130.04146	13.6
130.07797	1.1
131.04926	61.2
131.07706	1.5
131.08578	16.8
132.05748	7.0
133.02858	19.3
133.06500	7.5
133.10129	17.5
135.04379	1.4
135.08049	20.4
135.11681	13.4
142.43129	1.1
143.08565	4.1
145.06468	6.4
145.10138	12.0
146.03596	7.7
146.39944	1.2
147.04375	4.2
147.11682	8.8
148.05193	56.0
149.05925	3.0
149.09639	6.9
149.13257	11.8
158.10933	4.4
159.04395	1.6
160.05176	3.2
161.05946	1.4
161.13258	1.0
163.07538	70.9
163.11205	2.4
163.14839	2.4
164.07927	1.7
173.05937	9.1
173.09666	3.2
173.13277	19.4
176.04665	15.4
177.04919	1.0
177.07855	1.4
190.07840	1.0
191.03462	9.0
191.07028	62.9
191.08513	2.8
191.10625	6.9
191.14301	56.8
191.17950	9.8
192.10159	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03949	0.2
55.01864	0.5
55.05507	0.3
56.05010	0.3
56.96561	6.6
57.03411	0.7
57.07043	0.2
58.06595	1.7
58.92660	0.2
59.05001	0.2
60.04523	0.3
60.95849	0.2
61.02913	0.5
67.05492	0.5
69.03423	1.0
69.07058	1.3
69.99939	1.2
70.06592	1.4
71.04990	1.0
71.06927	0.3
72.08137	0.2
73.02892	1.1
78.01084	0.2
79.05508	0.2
81.03408	0.8
81.07086	0.2
83.04952	0.3
84.04509	0.3
84.08130	0.8
84.96017	0.3
85.02914	1.4
85.06535	0.4
86.09695	1.8
87.04464	0.6
87.09483	0.3
87.10017	1.7
89.03909	1.2
91.05458	0.6
95.01282	0.3
95.04946	0.3
97.02897	1.2
97.06535	0.2
97.99177	0.2
98.09670	0.2
98.20788	0.2
98.97569	3.1
99.04423	0.2
100.99141	0.3
104.01291	0.4
105.07031	0.4
106.01055	0.2
106.06609	0.2
106.07377	0.3
107.04967	0.6
108.01530	0.3
109.02895	0.4
109.06474	0.2
110.01283	0.5
110.97562	0.4
112.99111	0.5
114.06647	0.2
114.30564	0.2
115.03967	0.2
115.31135	0.2
116.04976	3.4
116.98611	2.4
117.03417	0.3
119.01840	0.5
121.02905	0.2
121.06491	0.2
126.02602	0.2
126.12768	1.6
127.03919	0.3
128.02353	0.3
128.07123	0.2
128.98642	0.9
130.08612	0.2
131.00146	0.7
131.01852	0.2
133.03394	0.2
134.05966	0.4
134.99664	1.5
135.03052	0.2
137.05937	0.3
139.02406	0.2
141.03963	0.3
143.00188	0.4
144.04428	0.6
144.08978	0.3
144.10152	0.2
144.13823	6.7
146.02312	0.3
146.05971	0.2
146.99634	0.9
147.99153	0.2
148.03944	0.3
149.01192	1.7
149.09624	0.3
158.01347	0.2
158.12839	0.2
158.99673	0.5
159.05032	0.3
161.01254	0.5
162.05489	100.0
162.99147	0.2
163.05864	2.5
165.00603	0.2
166.00237	0.6
167.02245	0.5
167.97203	0.3
177.00739	0.6
178.04941	0.4
185.01360	0.3
185.02988	1.0
185.06984	0.2
189.00706	0.4
190.04977	32.3
190.08604	0.8
190.14391	0.8
191.02132	0.2
191.05356	0.8
191.06882	0.3
191.14293	0.2
204.05376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.01582	1.3
53.03934	2.9
55.05508	9.6
57.07064	1.6
65.03919	1.5
67.05502	20.8
69.07061	8.8
70.79445	2.5
70.79797	1.6
77.03931	2.0
79.05492	17.8
81.07054	52.3
83.08616	3.2
91.05476	45.9
93.07041	34.5
95.04936	2.8
95.08603	63.0
97.10136	1.0
103.05457	4.7
105.07025	87.8
106.07352	2.3
107.04971	1.4
107.08589	32.8
109.06546	1.5
109.10159	16.6
115.05459	11.6
116.06217	2.1
116.15467	0.9
117.07008	31.9
118.07321	1.2
119.08571	62.6
120.08820	1.4
121.06500	5.5
121.10134	9.5
123.11694	2.7
127.05505	1.0
128.06216	57.6
129.07050	8.2
130.07785	13.1
131.08562	9.4
133.06483	2.3
133.10123	76.2
134.10429	1.5
135.08047	1.3
135.11699	1.8
141.06973	4.7
142.07764	1.2
143.08551	84.7
144.09021	3.6
145.06538	6.7
145.10114	28.8
146.10742	1.5
147.08046	8.3
147.11687	38.1
155.06042	2.9
156.09372	4.6
159.08009	1.6
159.11682	6.0
160.08795	1.7
160.12489	1.6
161.05969	1.9
161.09625	9.2
161.13252	15.9
171.08040	19.7
171.11650	7.0
174.10432	1.1
189.05553	1.1
189.09111	37.9
189.12793	18.6
189.16380	100.0
190.09450	2.0
190.16689	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	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
52.26236	0.2
56.96561	0.9
58.06572	0.4
59.06112	0.4
69.03414	0.8
69.07061	0.4
70.06604	0.5
70.48514	1.2
72.08176	0.4
79.05498	0.4
81.03416	0.5
81.07043	0.3
84.04499	0.4
85.02905	0.4
85.04030	0.3
89.03913	0.9
90.94809	0.4
91.05475	0.9
92.05819	0.4
95.01321	0.4
95.04964	0.3
95.08541	0.3
96.37744	0.3
98.06120	0.3
105.07024	0.6
106.07359	0.7
107.04947	0.5
116.04974	3.7
117.07011	0.5
118.07312	0.4
119.08554	0.8
120.08070	0.6
121.06535	0.4
125.02357	0.4
129.06592	0.6
130.06502	0.8
131.04909	0.5
131.08595	0.6
133.10156	0.5
134.05986	0.7
135.08041	0.6
144.07947	0.7
144.08966	0.7
145.10127	0.4
146.10411	0.5
147.06720	0.8
162.05490	100.0
163.03824	0.4
163.05833	2.2
163.09796	0.4
167.05528	0.4
172.12035	0.3
175.06279	1.1
185.02921	0.5
188.71140	0.3
190.04973	31.2
190.08514	4.9
190.13304	0.4
191.03401	0.7
191.05302	1.0
191.06927	0.6
191.10724	0.6
191.14301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.3
53.03934	2.9
55.05508	9.6
57.07064	1.6
65.03919	1.5
67.05502	20.8
69.07061	8.8
70.79445	2.5
70.79797	1.6
77.03931	2.0
79.05492	17.8
81.07054	52.3
83.08616	3.2
91.05476	45.9
93.07041	34.5
95.04936	2.8
95.08603	63.0
97.10136	1.0
103.05457	4.7
105.07025	87.8
106.07352	2.3
107.04971	1.4
107.08589	32.8
109.06546	1.5
109.10159	16.6
115.05459	11.6
116.06217	2.1
116.15467	0.9
117.07008	31.9
118.07321	1.2
119.08571	62.6
120.08820	1.4
121.06500	5.5
121.10134	9.5
123.11694	2.7
127.05505	1.0
128.06216	57.6
129.07050	8.2
130.07785	13.1
131.08562	9.4
133.06483	2.3
133.10123	76.2
134.10429	1.5
135.08047	1.3
135.11699	1.8
141.06973	4.7
142.07764	1.2
143.08551	84.7
144.09021	3.6
145.06538	6.7
145.10114	28.8
146.10742	1.5
147.08046	8.3
147.11687	38.1
155.06042	2.9
156.09372	4.6
159.08009	1.6
159.11682	6.0
160.08795	1.7
160.12489	1.6
161.05969	1.9
161.09625	9.2
161.13252	15.9
171.08040	19.7
171.11650	7.0
174.10432	1.1
189.05553	1.1
189.09111	37.9
189.12793	18.6
189.16380	100.0
190.09450	2.0
190.16689	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.05505	12.3
56.00560	1.1
57.07047	1.1
61.55698	1.1
65.03915	1.4
67.05501	17.1
69.03413	1.5
69.07062	12.4
70.56317	4.2
70.56689	1.0
74.54541	1.1
76.69645	1.0
77.03927	1.3
79.05068	1.4
79.05489	14.4
79.63750	1.0
81.07054	57.0
83.08601	4.1
91.05476	39.2
92.05779	1.2
93.06462	1.9
93.07036	30.8
93.07619	1.7
95.04939	3.2
95.08601	70.8
97.10169	1.6
103.05471	3.5
105.07024	80.1
107.08587	31.0
109.10149	18.4
115.05444	6.5
117.07014	16.4
119.04919	1.1
119.08575	72.1
121.06491	4.2
121.10120	13.3
123.11722	1.4
128.06215	33.3
128.07123	2.4
129.07027	8.2
130.07797	10.5
131.08569	11.5
133.06467	2.6
133.10123	87.0
134.10912	2.3
135.08035	2.2
141.06920	2.0
143.08554	50.9
145.06450	3.2
145.10109	17.7
146.10849	4.1
147.08063	6.8
147.11682	44.7
148.12292	1.1
155.06050	2.7
156.09355	5.3
159.08073	3.1
159.11681	4.3
160.05293	1.4
160.08807	1.2
160.12465	3.3
161.05989	2.6
161.09622	9.7
161.13261	17.8
171.08041	8.9
171.11751	5.9
174.10429	2.6
174.13991	1.5
189.05417	2.7
189.09108	22.6
189.12807	22.0
189.16376	100.0
190.16708	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.05507	9.7
57.07075	1.4
65.03919	1.2
67.05508	15.7
69.07063	9.4
70.07811	5.2
79.05499	10.6
81.07053	41.1
83.08608	4.0
91.05479	25.5
92.05794	1.5
93.07035	17.4
95.04968	1.9
95.08602	78.2
96.08931	1.4
98.20818	1.5
103.05444	2.7
104.06267	1.2
105.07028	76.7
107.04930	3.8
107.08595	19.7
109.10152	18.1
115.05457	4.2
116.06200	1.3
117.07008	5.8
119.04953	2.2
119.08574	100.0
120.08891	2.6
121.06497	1.5
121.10136	10.5
128.06226	11.8
129.06032	0.9
129.06999	16.8
130.07785	2.1
131.04890	2.9
131.08568	14.7
132.05681	1.3
133.06520	4.1
133.10123	61.9
134.11000	0.9
135.04417	1.3
141.06941	0.9
143.08565	9.9
145.06468	2.7
145.10097	9.8
146.07219	5.3
146.10931	4.5
147.04405	9.9
147.08038	2.1
147.11679	45.9
148.12010	1.0
156.09370	8.0
157.06526	4.2
157.07600	0.9
159.11688	2.6
160.05194	3.7
160.12473	2.9
160.73607	0.9
161.05986	8.3
161.09633	7.1
161.13248	19.4
162.09111	0.9
171.08044	1.8
171.11720	7.6
174.06757	5.8
174.10411	1.9
174.14044	1.2
189.05376	1.2
189.09122	18.1
189.12756	16.7
189.16379	89.5
190.09433	0.9
190.16721	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03933	1.6
54.26302	1.1
55.05516	8.1
55.90254	0.9
67.05183	1.4
67.05507	16.9
68.05415	0.9
69.03428	1.6
69.07069	6.2
71.62618	1.4
79.05495	15.5
81.07056	47.5
83.01302	1.0
83.08618	2.9
85.02882	1.2
90.13882	0.9
91.04904	1.6
91.05479	31.9
93.06480	2.0
93.07043	31.2
95.04984	1.6
95.08607	66.0
97.10171	1.3
100.84695	1.1
103.05430	1.2
105.07033	62.2
107.07871	2.2
107.08591	37.0
109.06518	1.9
109.10151	18.4
115.05449	7.0
117.07019	7.9
119.04955	1.6
119.08583	46.0
121.10149	10.5
123.11700	1.5
128.06229	15.0
129.06978	3.5
130.07747	2.1
131.04979	1.1
131.08568	11.1
133.06516	6.4
133.10129	67.6
134.10513	1.1
142.07816	1.2
143.08551	20.9
145.06506	2.1
145.10144	7.7
146.07269	1.8
146.10907	1.4
147.04422	1.6
147.08080	4.2
147.11684	37.2
156.09329	2.4
157.06595	1.5
159.11736	1.9
160.05226	9.0
161.05997	14.1
161.09612	9.0
161.13257	24.4
171.08060	4.3
171.11749	6.1
174.06737	3.8
174.10358	2.3
189.05452	3.2
189.09116	24.9
189.12781	15.2
189.16385	100.0
190.16766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03950	1.1
55.01854	0.6
55.05511	7.1
57.03444	0.6
57.07056	0.6
59.03463	0.6
65.03920	0.8
67.00803	0.5
67.05508	12.0
69.03426	2.4
69.07067	7.1
70.14642	2.3
77.03907	0.6
79.05496	8.3
81.03446	0.6
81.07056	35.6
82.07431	0.7
83.08624	2.5
86.71040	0.6
91.05478	22.9
93.07042	14.9
95.04965	1.2
95.08606	50.7
97.10200	0.8
98.20824	0.6
103.05447	1.5
105.03395	0.7
105.07030	58.1
106.07336	0.9
107.04951	0.9
107.08596	18.2
109.10162	14.4
115.05454	2.9
117.07024	4.3
119.04932	2.0
119.08582	100.0
120.08922	2.4
121.06499	0.7
121.10139	8.3
128.06238	7.0
129.07014	4.2
130.07796	1.4
131.04999	0.6
131.08568	10.4
132.05725	0.9
132.09383	0.7
133.06499	3.8
133.10129	57.1
134.10732	0.7
135.04350	0.8
139.34357	0.6
141.06956	1.1
142.07681	0.6
143.04959	0.7
143.08553	8.5
145.06471	1.0
145.10126	7.2
146.07286	1.3
146.10881	1.8
147.04434	3.4
147.08051	1.7
147.11690	33.5
155.06149	0.8
156.09343	10.8
159.08034	1.1
159.11694	1.7
160.05225	1.4
160.12430	1.8
161.05981	3.4
161.09644	5.6
161.13251	14.4
171.08060	1.5
171.11687	10.1
174.06752	2.9
174.10402	1.2
174.14122	0.6
188.23509	0.6
189.05470	1.6
189.07164	1.3
189.09122	13.8
189.12750	17.0
189.16379	70.1
190.16698	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	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
56.29888	0.7
56.96321	1.1
56.96569	10.2
57.04558	10.2
60.08176	3.6
67.52527	0.6
69.73205	0.6
70.06590	100.0
70.21769	0.7
71.04993	2.4
71.06915	1.6
71.63516	1.2
72.08154	5.9
73.02912	1.0
74.02416	0.8
74.07201	32.8
78.89725	0.8
84.08141	14.5
85.02911	0.8
88.07649	1.3
97.07668	0.9
98.97586	17.1
100.99151	4.4
109.68584	0.7
109.91161	0.7
110.97545	0.8
112.08737	2.2
115.08700	5.8
116.07089	39.6
116.98619	12.1
119.00183	2.3
119.01926	2.6
126.10233	1.3
128.98621	0.9
130.08640	4.7
133.09718	3.9
134.99632	5.2
143.00139	1.1
144.11316	15.7
146.99648	1.2
152.51064	0.6
158.09250	7.4
161.01262	1.8
165.00742	2.3
172.10812	6.2
177.00697	1.0
183.01764	1.6
185.03018	1.1
189.13469	32.0
189.16138	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03931	1.6
55.05508	8.2
57.07074	0.7
62.87355	1.2
65.03940	0.8
67.05178	1.1
67.05503	14.4
69.07066	7.8
71.42225	1.7
72.57253	0.7
79.05493	8.8
81.07054	33.5
83.08598	3.0
90.49837	0.7
91.05470	15.9
93.06477	1.5
93.07041	17.5
95.04943	0.9
95.08604	78.0
96.08946	1.4
97.10175	1.2
105.07028	60.3
107.08595	18.6
109.10148	16.9
117.07008	3.2
119.08578	96.7
120.08877	1.8
121.10140	9.4
128.06241	0.9
131.08572	11.1
133.10126	51.0
141.06981	1.2
143.08568	1.0
145.10121	6.3
146.10858	4.3
147.07997	1.1
147.11682	44.4
156.09373	7.1
157.63788	0.8
159.11719	1.7
160.12459	2.3
161.09598	0.8
161.13258	19.3
168.59409	0.7
169.00757	0.8
171.11691	6.5
174.10362	1.7
174.14088	1.4
178.10907	0.9
189.12779	15.7
189.16377	100.0
190.16714	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.11280	0.9
51.02390	1.0
53.03935	2.3
55.01857	1.8
55.05314	0.9
55.05515	11.0
56.70371	1.0
56.96554	2.0
57.03432	1.6
57.07056	1.4
58.98250	0.8
65.03926	2.2
67.05503	14.4
69.03424	2.5
69.07069	10.4
69.72396	5.2
69.72823	1.9
70.06585	3.4
72.08157	2.1
79.05491	9.8
81.03383	0.8
81.07059	47.9
83.04965	1.3
83.08614	3.1
84.04520	1.6
84.25036	0.8
85.02892	1.2
85.04829	1.1
91.05482	28.2
92.05837	1.3
93.07043	25.0
95.04951	3.7
95.08611	59.6
96.08939	1.1
97.10138	0.9
98.97594	0.9
103.05463	2.2
105.07036	71.3
105.14977	0.8
106.07359	1.2
107.04954	3.7
107.08600	21.1
109.06556	1.3
109.07601	1.3
109.10164	20.0
110.07224	0.9
111.73334	1.0
115.05437	5.7
116.07063	1.0
117.07014	5.8
119.04926	3.0
119.08584	82.6
120.08942	1.0
121.06499	1.3
121.10144	9.1
123.08082	1.1
125.20470	0.9
128.06219	8.6
129.07019	5.4
130.07767	2.8
131.08577	13.2
132.09352	1.8
133.06509	4.4
133.10133	71.2
134.10870	1.3
135.08032	1.0
135.11723	1.3
141.07010	1.1
143.00099	1.1
143.04854	1.5
143.08572	10.9
144.08058	1.3
145.06464	2.7
145.10126	12.2
146.07089	1.2
146.10901	3.0
147.04411	3.9
147.06961	1.4
147.08057	5.8
147.11693	46.4
148.07510	1.2
148.08630	1.4
148.12000	1.0
149.09422	2.1
156.09396	5.8
159.08057	1.1
159.11739	3.4
160.05247	0.9
160.12497	4.4
161.01180	1.1
161.06020	6.3
161.09642	4.1
161.13264	20.1
162.05434	1.2
171.08070	2.3
171.11679	8.9
172.10880	1.0
174.06833	1.7
174.10393	2.3
175.06293	1.3
186.44113	0.9
187.14827	1.0
189.05458	6.8
189.09091	11.6
189.12778	17.6
189.16394	100.0
190.05054	1.2
190.08592	5.1
190.16713	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03925	1.3
55.01856	1.7
55.05507	10.8
56.96311	0.7
56.96552	4.8
57.03433	2.1
57.07048	1.6
59.03898	0.8
63.67731	0.8
65.03933	1.3
67.05503	15.4
69.03423	4.1
69.07062	9.8
69.74236	6.6
70.06590	1.2
71.05006	1.8
77.61156	0.9
79.05119	0.8
79.05495	11.2
81.03395	1.1
81.07053	40.9
83.04969	1.8
83.08611	4.3
84.04483	2.3
85.02898	2.0
85.04832	0.9
87.05498	0.8
91.05475	34.1
93.06463	1.5
93.07043	26.4
95.04952	3.1
95.08601	59.5
96.08939	1.2
97.02881	1.4
98.97565	2.8
100.99143	1.1
103.05460	3.9
103.68907	0.8
104.06203	1.1
105.03372	1.3
105.07025	83.0
106.07305	1.5
107.04945	3.3
107.08585	25.3
109.06478	1.3
109.10157	17.0
111.04411	1.0
115.05447	6.3
116.06203	1.1
116.98577	2.3
117.07022	11.1
118.07861	0.9
119.04913	3.5
119.08575	87.9
120.08889	1.2
121.02888	0.9
121.06496	2.1
121.10138	11.1
123.07910	0.8
126.05482	1.0
128.06216	22.5
129.07014	7.9
130.07811	4.3
131.04910	2.3
131.08562	19.7
133.06494	7.8
133.10121	77.5
134.10452	1.6
134.99638	1.9
135.07979	0.8
141.06956	5.4
143.04912	1.3
143.08557	25.3
144.09172	1.0
145.06516	4.7
145.10123	21.3
146.03590	0.8
146.07245	3.3
146.10878	2.9
147.04387	3.0
147.08047	7.4
147.11682	53.9
155.05991	1.5
155.08530	1.0
156.09329	26.3
157.06490	1.6
159.08049	4.3
159.11697	8.3
160.05171	6.8
160.08807	1.3
160.12453	3.6
161.04733	1.7
161.05962	14.6
161.09608	11.3
161.13243	22.0
171.04353	1.7
171.08051	6.6
171.11684	32.5
174.06738	4.4
174.10397	6.3
174.14076	0.9
175.06296	1.2
189.05528	4.0
189.07364	1.1
189.09114	30.2
189.12743	51.3
189.16368	100.0
190.08595	2.9
190.16727	2.0
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
51.85281	0.6
53.03939	0.7
55.01852	2.6
55.05507	3.2
57.03430	1.4
57.07033	0.6
59.04993	0.8
66.92766	0.7
67.05493	3.8
68.99767	1.3
69.03426	5.3
69.07053	2.5
71.63977	0.9
75.07286	0.6
79.05490	6.4
81.07059	9.2
83.04955	0.9
83.08604	1.1
85.02898	7.5
85.78988	0.6
91.05473	20.3
93.07022	5.8
95.04958	2.5
95.08046	1.1
95.08604	13.3
102.10165	0.7
103.05445	2.7
105.03356	1.6
105.07022	32.2
106.07352	0.7
107.04943	2.6
107.08589	8.7
109.06494	0.8
109.10138	4.2
115.05442	12.3
116.06228	0.9
117.07004	8.5
119.04943	2.1
119.08569	31.6
120.08946	0.9
121.06469	1.9
121.10118	2.8
128.06221	14.3
129.07002	13.6
130.06892	0.9
130.07758	5.7
131.04927	2.3
131.08562	12.8
132.05676	2.1
133.06476	12.1
133.09108	1.1
133.10120	23.4
135.08067	1.3
135.11694	0.8
141.06979	10.6
142.07773	0.9
143.04970	3.6
143.08556	19.1
144.09358	4.1
145.06500	3.7
145.10117	21.9
146.03604	1.1
146.07278	3.2
146.10878	1.1
147.04384	4.4
147.08025	12.9
147.11670	18.4
155.08551	4.0
156.09340	70.2
157.06554	3.3
157.09735	2.7
159.08055	6.7
159.11674	16.8
160.05190	37.2
160.08797	2.2
161.05971	52.6
161.09608	12.5
161.13246	7.5
162.06389	1.6
162.09932	0.7
162.95403	0.7
171.08083	4.2
171.11676	81.1
172.11951	1.9
173.09645	0.8
174.06763	7.4
174.10378	10.6
189.05542	7.0
189.09111	49.4
189.12718	100.0
189.16341	19.7
190.09395	1.1
190.13072	3.1
198.38271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54634	0.6
54.63876	0.6
55.05503	1.5
58.62738	0.6
59.21849	0.7
67.05488	2.1
69.03426	5.9
69.07076	0.7
69.32359	6.6
69.32784	1.5
74.38026	0.6
79.05479	2.4
81.07049	2.5
83.04983	1.1
91.05484	8.2
93.07038	2.8
95.04939	1.7
95.08595	2.3
98.20777	1.4
103.05463	0.7
105.07030	18.0
105.55632	0.7
107.04914	0.9
107.08597	3.9
115.05456	2.2
117.06995	4.0
119.08578	27.3
121.06538	1.3
121.10130	1.4
128.06194	4.8
129.07014	3.8
130.07764	4.9
131.08559	8.3
133.06487	2.8
133.10129	10.2
135.08057	2.7
135.10211	0.6
141.06972	8.1
142.07784	1.3
143.08568	7.5
144.09314	2.2
145.06448	2.2
145.10126	18.3
146.10878	1.3
147.08026	9.3
147.11688	17.0
155.08583	2.5
156.09349	54.6
157.09721	1.7
159.08044	9.7
159.11685	13.2
160.05147	1.1
160.08838	3.2
161.05972	2.6
161.09593	4.3
161.13246	7.8
171.11685	64.0
172.12030	2.0
173.09564	0.7
174.10410	16.8
186.53297	0.8
189.09206	4.9
189.12744	100.0
190.13081	2.9
208.42497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89439	0.6
53.03943	0.9
55.01872	0.7
55.05508	2.9
56.96555	2.0
57.03432	0.7
58.90130	0.6
67.05494	2.1
69.03423	6.5
69.07050	0.7
71.13354	1.5
79.05499	3.3
81.07061	3.8
85.02889	1.8
88.31786	0.6
91.05480	9.7
93.07050	4.3
95.04968	1.8
95.08600	2.7
98.97569	1.9
103.05476	1.5
105.07031	22.4
107.08597	4.4
109.06504	1.1
109.10133	0.7
115.05450	2.5
116.06228	0.8
116.98634	1.1
117.07031	4.3
118.81965	0.6
119.04940	1.3
119.08583	29.7
121.06483	1.5
121.10138	1.9
121.72437	0.6
123.08083	0.6
128.06223	5.8
128.70464	0.6
129.06985	4.0
130.07765	3.7
131.08557	10.0
131.31154	0.8
133.06482	3.6
133.10143	13.4
135.08040	2.3
136.51582	0.6
141.06990	8.5
142.07788	1.0
143.08554	10.1
144.09303	2.2
145.06474	2.6
145.09039	1.2
145.10118	15.3
146.07274	1.3
146.10832	1.7
147.04366	0.5
147.08049	11.2
147.11688	18.7
149.02180	0.6
155.08530	3.2
156.09346	50.1
157.09651	1.5
159.08058	9.9
159.11697	13.1
160.05191	2.3
160.08813	3.6
161.06027	3.2
161.09616	5.6
161.13271	11.0
163.38147	0.7
171.11688	60.1
172.12018	2.3
173.09602	1.7
174.06827	1.2
174.10400	20.5
189.05455	1.6
189.09187	7.0
189.12740	100.0
190.13089	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59748	0.7
51.48579	0.9
55.05500	2.7
56.96568	9.6
57.03426	1.5
57.07033	1.0
63.78904	1.0
67.05505	4.5
69.03424	7.4
69.07049	2.5
70.06576	1.6
70.13241	5.1
70.28751	0.7
73.02890	1.0
77.03931	1.2
79.05479	6.2
81.07044	7.5
83.04971	1.4
83.08601	1.3
84.04501	1.8
85.02890	1.8
85.04831	1.4
86.09682	2.5
91.05468	17.7
93.07021	5.4
95.04951	1.7
95.08598	8.3
98.97585	6.3
100.99139	2.9
103.05465	2.2
105.07032	32.4
105.07735	1.6
107.04918	1.0
107.08588	6.4
109.06517	1.2
109.10132	2.5
115.05435	7.1
116.06258	0.9
116.98656	4.8
116.99323	0.9
117.07011	9.2
119.00172	1.5
119.04917	1.9
119.08577	34.1
121.06454	1.6
121.10130	2.8
128.06218	14.5
129.07011	10.0
130.07796	5.7
131.04900	2.7
131.08557	9.8
133.06487	9.6
133.09102	1.1
133.10117	19.9
134.99654	2.5
135.08049	1.9
141.06976	10.9
142.07808	1.9
143.04944	1.1
143.08551	18.7
144.09299	3.7
145.06479	3.9
145.09004	1.8
145.10117	22.3
146.03548	0.9
146.07245	2.9
146.10864	1.9
147.04388	2.6
147.08011	10.0
147.11679	26.9
147.12775	1.9
148.12048	1.1
153.06943	0.9
155.08528	3.0
156.09341	54.8
157.06474	2.2
157.09676	1.9
159.08070	8.9
159.11697	13.7
160.05228	6.5
160.08807	3.3
161.05995	10.3
161.09604	11.4
161.13251	8.7
162.05392	1.3
165.00693	1.4
171.08034	3.3
171.11687	61.6
172.12090	1.8
174.06758	3.4
174.10408	10.9
175.06259	1.9
183.01682	1.3
189.05525	5.1
189.07089	2.0
189.09125	27.3
189.12733	100.0
189.16330	16.4
190.08638	3.2
190.13139	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
51.53450	0.5
53.03939	1.1
53.90820	0.5
54.57230	0.5
55.01865	0.9
55.05509	4.3
56.20116	0.5
59.04984	1.2
65.03939	1.5
67.05502	5.4
67.84265	0.5
69.03410	1.8
69.07071	8.2
69.43841	3.9
69.44245	1.6
72.00430	0.5
77.03932	0.7
77.65151	0.5
79.05494	8.5
81.07043	5.5
83.04997	1.3
83.08618	0.7
91.05479	17.4
91.63808	0.6
93.07056	6.5
95.04960	2.5
95.08612	5.3
97.06526	4.9
98.56586	0.6
103.05457	2.9
105.03384	2.7
105.07030	36.5
106.07336	1.0
107.04955	1.2
107.08596	16.6
109.06510	1.4
109.10151	1.3
115.05445	3.5
116.06232	0.7
117.07029	8.5
119.04938	2.1
119.08580	32.9
121.02850	2.2
121.06520	7.3
121.10130	2.8
128.06216	18.3
129.07018	5.8
130.07806	3.9
131.04936	0.8
131.08557	7.2
132.05698	0.9
133.06476	2.3
133.10130	22.0
135.08054	3.6
141.06982	2.4
142.07784	1.3
143.04910	0.7
143.08557	26.5
144.08916	0.9
145.06490	2.7
145.10130	10.9
146.07243	1.3
146.10898	2.2
147.08040	14.2
147.11678	7.6
149.02342	12.8
149.09586	0.7
155.06041	0.8
156.09352	9.7
159.08051	7.1
159.11702	2.2
160.08867	3.3
161.05962	1.9
161.09634	9.4
161.13257	21.5
162.05679	0.6
162.13573	0.7
164.90976	0.6
171.08064	4.9
171.11685	12.1
173.09563	1.3
174.10391	10.6
175.11139	0.7
189.05417	2.2
189.09137	16.1
189.12744	100.0
189.16316	10.1
190.05017	1.0
190.13086	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03942	1.7
55.01867	1.4
55.05506	3.5
57.03421	1.0
57.66287	0.8
61.82486	0.7
62.37083	0.7
63.87151	0.8
65.03938	1.1
66.36884	0.8
67.05501	9.1
69.03411	1.9
69.07080	1.8
71.04969	0.9
74.39832	0.8
74.87529	0.7
79.05497	9.7
81.03373	0.8
81.07059	14.2
81.07526	1.5
83.04976	0.8
91.05480	37.4
93.07051	10.6
95.04979	3.6
95.08602	11.5
97.06525	1.3
98.20683	1.4
103.05461	5.5
105.03432	1.3
105.07030	64.4
106.07372	0.8
107.04958	3.0
107.08589	7.1
109.06527	2.8
109.10172	2.3
115.05453	13.1
116.06236	3.6
117.07017	34.9
118.07330	1.2
119.04955	1.8
119.08582	28.9
121.06506	5.3
121.10190	2.0
124.38306	0.7
127.05408	1.3
128.06224	71.5
129.07031	19.5
130.07806	17.2
131.04929	1.5
131.08580	13.7
133.06491	9.6
133.10129	29.8
134.07283	2.3
134.10490	0.9
135.04494	1.2
135.08046	6.0
135.11678	1.0
141.07033	5.0
142.07755	3.0
143.08559	100.0
144.09012	3.0
145.06506	5.7
145.10127	37.6
146.07274	4.3
147.04401	1.5
147.08043	11.8
147.11699	13.3
155.06046	3.9
156.09387	6.8
159.08063	1.9
159.11664	1.0
160.05206	2.1
161.06023	6.2
161.09621	71.7
161.13272	8.7
162.09932	1.9
171.08037	17.2
171.09315	1.2
171.11694	17.8
174.10471	1.6
189.05466	1.3
189.09120	43.1
189.12784	49.2
189.16388	11.4
190.09459	1.4
190.13145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.51407	0.6
55.01859	1.1
55.05511	3.3
55.16328	0.6
56.75203	0.5
59.04977	0.7
65.03919	1.3
67.05500	5.9
69.03414	0.9
69.07064	9.1
70.21005	3.0
79.05496	10.3
81.07055	5.4
83.04950	1.4
91.05471	18.2
93.07034	5.9
93.88528	0.5
95.04946	3.2
95.08613	3.2
97.06526	5.7
98.21432	0.6
103.05447	1.7
105.07022	49.0
106.07379	1.5
107.04935	1.7
107.07847	1.0
107.08588	18.0
109.06502	1.4
109.10169	1.2
109.29854	0.6
115.05448	2.4
116.06252	0.7
117.07004	7.1
119.04949	1.6
119.08571	38.5
120.08931	0.6
121.06496	9.5
121.10149	1.6
128.05351	1.0
128.06219	10.0
129.07013	5.1
130.07820	2.7
131.08571	10.4
133.06487	5.1
133.10121	23.9
135.06981	0.5
135.08037	2.9
141.06979	2.3
142.07755	1.6
143.08545	17.2
144.09218	0.6
145.06480	2.3
145.10112	8.8
146.07216	3.2
146.10849	0.7
147.08037	15.2
147.11690	7.5
149.02231	0.9
149.09557	1.3
155.06099	0.7
156.09352	9.6
159.08025	4.8
159.11702	2.0
160.08823	2.5
161.05984	1.6
161.09625	7.1
161.11938	1.2
161.13249	23.3
162.13631	1.0
171.08008	2.9
171.11671	12.8
173.09563	1.3
174.10403	9.6
175.11119	1.8
187.11136	1.0
189.09183	7.4
189.12732	100.0
189.16292	7.7
190.08681	0.7
190.13176	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02375	0.7
53.03941	0.5
55.01872	0.9
55.05503	1.2
57.03435	0.7
65.03928	1.3
67.05499	2.2
69.03429	1.6
69.07057	0.9
75.44566	0.4
79.05494	3.5
81.07052	3.0
91.05479	24.2
92.33752	0.5
93.07034	2.4
95.04965	1.6
95.08615	3.8
103.05459	6.2
105.03410	0.7
105.07031	30.3
106.35321	0.5
107.04951	2.0
107.08579	2.4
109.10129	0.8
115.02301	0.4
115.05447	14.2
116.06232	2.0
117.07018	26.3
119.04937	1.5
119.08591	8.2
121.06510	1.1
121.10133	0.5
127.05463	1.5
128.06223	88.2
129.07025	21.0
130.07794	13.7
131.04924	2.5
131.08583	4.8
133.02852	0.7
133.06482	3.6
133.09126	0.7
133.10127	10.6
135.04410	1.3
135.08051	2.1
137.83055	0.5
141.06993	4.6
142.07765	1.7
143.08559	100.0
144.08847	2.6
145.06482	7.0
145.10135	11.7
146.07280	3.0
147.04417	2.5
147.08060	1.7
147.11705	2.6
153.07001	0.6
155.06021	5.8
156.09338	1.2
157.06488	2.0
158.07285	2.9
159.04388	1.3
159.08046	1.2
160.05194	1.2
161.05992	2.0
161.09627	11.1
161.13275	1.2
167.98685	0.4
171.06619	1.0
171.08043	13.8
171.11681	1.3
172.08490	0.5
173.06017	0.6
174.06773	19.7
175.07278	0.5
189.05440	1.8
189.07170	1.9
189.09108	52.2
189.12794	5.7
189.16391	6.0
190.09424	1.6
202.50758	0.5
207.38184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
56.96565	84.4
57.04558	7.1
60.08163	14.1
62.37875	0.5
67.05507	1.8
69.03443	0.8
70.06592	65.3
71.05006	2.7
71.63508	1.0
71.95275	3.0
72.08159	3.8
74.07201	18.9
74.97610	1.0
84.08142	63.9
84.96033	2.7
85.02895	0.8
85.06554	1.0
86.03727	0.5
88.07609	1.0
96.99759	0.8
97.02866	0.7
97.99194	0.8
98.14684	0.5
98.51488	0.5
98.97584	100.0
100.99144	22.8
101.00872	3.1
109.02885	0.7
110.51431	1.2
110.97552	1.1
111.01312	1.0
112.08735	1.4
115.08678	4.2
116.06458	0.3
116.07090	20.6
116.98619	80.0
117.52235	0.6
119.00192	15.9
119.01105	1.2
119.01913	10.2
119.15375	0.6
119.51999	0.8
120.01962	1.1
121.01691	0.5
125.01955	0.7
126.10328	1.0
126.52714	0.7
128.98572	2.1
128.99564	1.0
130.08643	23.8
131.00185	1.6
131.01933	1.9
132.00011	0.7
133.00809	0.7
133.09723	2.3
134.99660	45.9
137.01205	2.3
137.02882	2.4
138.00883	0.6
140.00130	3.1
141.00552	0.7
142.01785	0.7
143.00145	3.8
143.01906	1.8
144.11334	11.2
144.13832	1.2
145.01663	0.7
145.03462	1.6
146.99600	3.8
147.01382	1.3
147.02339	1.1
148.00342	0.5
153.00685	5.5
155.00351	0.8
155.02934	0.6
156.00113	1.5
157.03423	1.1
158.01263	3.0
158.09241	4.1
159.01419	0.5
161.01231	7.6
161.02939	2.1
165.00716	15.2
170.52702	0.6
172.10840	2.7
173.03006	0.9
175.04427	0.6
176.02367	0.6
177.00716	1.4
177.04234	0.6
179.02257	1.5
183.01776	12.5
184.04488	0.6
185.02957	2.4
188.02292	0.8
189.00719	1.1
189.02393	1.1
189.13457	15.8
189.15990	8.9
203.04149	0.6
207.01810	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.51103	0.4
56.96563	0.4
61.92242	0.3
67.02599	0.4
71.10056	1.1
84.04512	2.0
85.02930	0.5
87.04453	0.4
91.05475	4.8
115.05450	6.0
117.05735	1.6
117.07045	4.1
118.06543	73.3
119.06918	1.8
122.73396	0.4
128.04959	0.5
132.08093	1.0
135.33459	0.4
142.06529	5.6
143.07315	12.7
144.04469	0.7
144.08087	24.1
145.06523	1.1
145.10161	0.4
146.06007	100.0
147.06343	2.2
155.06044	0.6
160.07573	1.3
170.06009	9.1
188.07066	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.3
56.05029	0.6
56.96561	31.1
57.03444	0.4
57.04555	9.2
60.08160	8.8
61.02912	0.2
67.05499	1.2
68.05009	0.2
69.03432	0.3
70.06586	100.0
71.04984	2.1
71.55483	0.3
71.95254	0.9
72.08148	6.2
73.02908	0.5
74.02418	0.3
74.07197	31.3
74.97610	0.6
81.03422	0.2
84.08136	39.1
84.96026	0.7
85.02891	0.6
85.06537	0.6
86.09713	0.4
88.07632	1.4
97.02873	0.4
97.07652	0.9
97.99157	0.3
98.06046	0.5
98.97575	31.6
99.04453	0.2
99.97871	0.2
100.99140	8.1
101.00871	1.3
102.09145	0.2
103.02449	0.5
110.01352	0.2
110.51453	0.5
110.97552	0.4
111.01264	0.4
112.08720	2.5
113.00890	0.2
113.07109	0.4
114.10278	0.3
115.02405	0.2
115.08688	6.9
116.07082	37.1
116.98609	31.6
117.02247	0.2
117.98997	0.2
118.00191	0.2
119.00175	7.2
119.01903	5.4
119.51949	0.4
120.01897	0.6
121.01664	0.4
121.03473	0.2
125.01053	0.3
125.51973	0.3
126.10268	1.6
128.11821	0.4
128.98589	1.0
128.99619	0.4
130.08629	15.3
131.00179	0.7
131.01897	0.6
133.01689	0.2
133.03426	0.3
133.09718	3.4
134.49799	0.3
134.99646	25.4
136.00027	0.4
136.01060	0.4
137.01175	1.0
137.02890	1.2
138.01807	0.4
140.00174	1.8
141.00543	0.3
142.01741	0.2
142.03539	0.3
143.00188	1.0
143.01877	0.8
143.08574	0.3
144.11305	16.8
144.13708	1.1
145.03485	0.6
146.52379	0.2
146.99590	1.9
147.01379	0.3
149.01190	0.7
153.00694	3.9
155.00246	0.2
156.00058	0.4
157.03458	0.6
158.01205	1.9
158.09232	6.8
158.52443	0.2
158.99614	0.3
161.01228	2.7
161.02809	1.4
162.99263	0.2
164.99312	0.3
165.00706	5.4
167.02098	0.2
169.05148	0.2
170.01187	0.2
171.12366	0.7
172.10793	5.7
176.02385	0.2
177.00681	0.8
177.02379	0.4
177.04185	0.2
179.02309	0.5
183.01768	4.5
184.02850	0.2
185.02937	0.8
188.02264	0.5
189.00703	0.4
189.13452	28.3
189.15947	6.4
203.04045	0.3
207.01767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.0
53.03933	2.7
55.01860	2.0
55.05511	8.7
56.05041	1.9
57.03435	2.0
57.07063	4.0
58.06592	1.8
59.04992	2.0
59.06117	1.1
59.77653	0.8
60.04523	1.2
61.02909	1.4
62.20608	1.0
65.03940	1.3
67.05501	11.2
69.03442	5.9
69.07068	18.4
69.27464	9.6
70.06592	20.6
71.04996	20.6
71.06284	0.9
71.06924	11.0
72.08145	2.7
76.58881	1.0
79.05490	20.2
81.03428	9.7
81.07056	100.0
82.06592	0.9
82.07384	1.5
83.04990	7.8
83.08611	3.0
84.04514	7.9
84.08141	18.0
85.02878	3.3
85.06525	2.2
85.08466	1.2
86.06086	1.5
86.09699	10.5
88.02195	3.8
91.05480	12.7
93.07037	12.6
95.01344	1.2
95.04969	4.5
95.08608	12.7
97.02882	1.4
97.06539	5.1
97.07727	1.2
97.10165	2.2
98.21552	1.4
99.04452	4.2
99.08102	4.7
100.07613	1.2
101.06009	1.8
103.05461	1.7
105.03379	1.2
105.07027	19.1
106.68359	1.1
107.04943	1.1
107.08604	17.4
109.02882	3.0
109.06503	4.7
109.10151	16.4
111.08070	2.7
111.11732	7.1
112.01565	1.5
112.07601	1.2
113.05971	1.5
114.05519	1.0
115.05442	2.7
116.06208	2.9
116.71948	0.9
117.07017	12.9
119.08587	10.2
121.10141	3.3
123.04474	1.3
123.08079	6.9
123.11711	14.9
125.05975	1.1
127.03921	13.0
127.07577	1.0
128.06224	2.1
129.07013	6.7
129.10236	2.2
130.07768	3.5
130.08655	1.5
131.04904	3.0
131.08566	36.5
133.06438	1.2
133.10143	5.8
139.11206	5.1
141.05504	2.3
141.06972	3.1
143.08580	6.1
144.05701	14.6
144.09306	2.9
145.06430	2.8
145.10121	57.3
146.05931	1.1
151.07507	3.0
151.11176	7.0
155.03397	8.7
157.10081	4.0
157.12257	2.0
158.07193	1.1
158.10866	3.5
159.06993	1.9
159.08061	7.5
159.11693	28.0
169.10100	2.5
169.12225	5.0
172.05177	10.4
172.08839	4.0
172.12485	2.9
173.00801	1.9
187.03946	3.6
187.06012	2.1
187.07526	31.9
187.11247	10.5
187.14810	56.5
188.06964	1.4
188.09203	1.6
188.15233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01860	0.6
55.05497	0.9
57.03434	0.6
59.55131	0.4
67.05227	0.3
67.05512	3.5
69.03419	1.3
69.07083	0.4
69.42467	3.2
69.42880	1.0
79.05492	3.2
81.03400	0.6
81.07047	2.1
84.04506	0.7
91.05479	14.6
93.07042	2.9
95.04962	1.7
95.08586	0.5
103.05485	2.0
105.07027	13.0
107.04951	0.6
111.95940	0.4
115.05444	8.0
116.06252	4.7
117.06223	0.7
117.07017	13.6
119.04958	1.3
119.08567	5.2
121.06531	1.2
127.05477	0.5
128.06219	32.0
129.05585	0.4
129.07014	14.9
130.07791	5.1
131.04924	2.6
131.08562	35.1
132.05707	0.5
132.08900	0.8
133.06473	0.7
133.10118	3.1
141.06987	14.5
142.07814	3.3
143.08557	23.9
144.05737	3.1
144.09358	9.0
145.06480	8.4
145.10118	12.5
146.07234	1.1
147.07915	0.5
152.06099	0.5
153.06999	2.7
154.07776	15.7
155.06039	1.5
157.06479	1.7
157.10104	2.5
158.07245	2.1
159.04408	1.0
159.08064	19.2
159.11690	30.6
160.08357	0.5
160.12018	0.5
167.08574	0.8
169.06458	2.0
169.07803	0.8
169.10121	20.5
171.08118	0.7
172.08824	6.3
185.09727	0.6
187.03922	1.3
187.07608	15.2
187.11179	100.0
188.11523	2.5
208.48726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
57.07070	2.1
67.05505	2.3
69.07047	1.2
70.09126	2.1
79.05500	1.9
81.07054	4.3
91.05478	10.7
91.64000	0.6
93.07053	1.9
95.08610	2.4
105.07030	12.7
107.08591	2.5
115.05454	2.1
116.06266	3.4
117.07021	13.4
119.08559	6.4
119.09199	0.5
128.06213	4.8
129.07002	6.6
130.07780	4.3
131.08566	80.9
132.08856	1.2
133.10123	3.9
141.06989	1.5
142.07756	1.6
143.08559	29.3
144.09367	6.7
145.10121	49.9
146.10489	1.5
154.07722	1.0
157.10133	8.1
158.10915	20.7
159.08035	1.4
159.11693	75.6
160.12045	2.3
169.10132	2.0
172.08720	0.6
172.12479	6.0
187.11238	13.7
187.14824	100.0
188.11485	0.8
188.15152	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85552	0.4
53.03934	0.6
55.01863	1.0
55.05495	0.5
59.17147	0.4
65.03928	1.1
67.05499	4.3
69.03423	0.5
69.99259	2.3
79.05491	3.3
81.03392	0.8
81.07048	2.2
81.43656	0.3
91.05479	18.2
93.07051	2.8
95.04980	1.8
95.08611	0.7
103.05472	2.2
105.03400	0.6
105.07030	13.1
107.04932	1.2
115.05450	8.8
116.06229	3.6
117.07025	15.2
119.04994	0.7
119.08568	3.5
121.06509	1.0
128.05261	0.8
128.06221	20.2
129.07016	13.1
130.07793	4.2
131.04927	3.5
131.08559	33.6
132.08908	0.4
133.06482	1.4
133.10114	3.3
141.06985	30.8
142.07776	2.9
143.08559	17.7
144.05745	2.7
144.09360	7.3
145.06496	7.5
145.10130	7.6
146.07233	1.4
148.50453	0.5
153.06961	2.3
154.07765	12.1
155.06033	1.3
157.06476	1.7
157.10153	2.6
158.07275	1.7
158.10672	0.4
159.04416	1.1
159.08058	16.9
159.11691	23.6
160.12022	0.5
167.08580	0.8
169.06416	2.7
169.07793	0.8
169.10124	13.2
171.08049	0.9
172.05154	0.5
172.08847	3.9
187.07597	14.2
187.11179	100.0
187.22441	0.7
188.11472	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01875	1.1
55.05522	2.0
56.05034	0.7
56.96571	1.1
57.03445	1.2
57.07087	0.5
58.06598	0.6
58.30403	0.3
59.05012	0.6
59.06138	0.7
62.63676	0.4
65.03942	0.8
67.05504	4.4
69.03432	5.7
69.07076	1.2
70.06590	13.9
70.82947	0.5
70.83283	1.0
71.01378	0.7
71.05007	1.1
71.06319	0.6
71.06922	7.8
72.08160	1.0
73.02952	0.8
75.48923	0.4
76.54366	0.4
79.05490	9.5
81.03422	4.7
81.07050	6.5
81.07458	0.5
83.05000	0.7
83.08642	1.0
84.04496	4.0
84.08152	1.1
84.96027	0.4
85.02900	3.5
85.06559	0.8
85.59280	0.4
86.06057	0.5
86.09725	0.4
87.04488	0.5
87.89196	0.5
88.02204	2.9
91.05475	12.6
91.06003	0.8
93.07038	3.7
95.01312	0.8
95.04961	4.3
95.08605	5.1
97.02907	1.3
97.06536	0.7
98.97588	1.0
99.04449	2.7
99.08109	0.5
101.00770	0.5
101.07174	0.7
103.05479	1.5
105.04526	0.6
105.07026	14.7
107.04979	0.9
107.08594	2.8
109.02890	1.5
109.06535	1.6
109.10133	0.8
111.04431	0.5
111.08081	0.5
114.05488	0.5
115.05440	5.3
116.06216	2.7
117.07014	10.6
118.06568	0.7
119.01817	0.7
119.08575	8.0
121.06504	5.3
121.10136	0.6
123.08066	5.4
125.05982	1.8
127.03927	5.0
127.08618	0.6
128.02332	0.9
128.06213	5.5
128.07112	0.8
129.06036	0.5
129.06998	14.3
130.07814	7.2
131.04951	2.8
131.08565	34.6
133.06459	0.5
133.10136	0.9
141.05391	0.6
141.06981	12.4
141.09082	1.0
142.06625	1.1
142.07753	1.9
143.08568	8.6
144.05701	7.2
144.08182	0.7
144.09337	11.4
145.05431	0.3
145.06476	12.4
145.10121	21.0
146.03119	0.4
146.06108	0.5
146.07256	1.6
146.10663	0.5
147.07997	1.0
151.07553	3.1
153.07013	1.7
154.07768	7.7
155.03377	1.6
155.06030	0.5
155.08293	0.4
156.01143	0.5
157.06483	8.3
157.10088	3.6
158.07268	46.4
158.10907	1.3
159.08057	57.1
159.11681	37.4
160.08517	1.1
160.12117	1.0
167.08614	0.5
168.77838	0.4
169.05200	0.5
169.06432	1.1
169.07631	2.0
169.10103	11.3
169.12268	0.5
169.14104	0.6
170.06007	2.8
171.08015	1.9
172.05312	1.1
172.08826	37.8
173.00822	1.8
173.09189	1.0
185.05727	1.2
187.03868	2.1
187.07625	9.4
187.11176	100.0
187.14764	18.0
188.07008	1.2
188.09148	0.5
188.11502	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01868	0.8
55.05508	0.6
57.03422	0.5
65.03930	0.7
67.05497	2.2
68.45676	0.3
68.78932	0.3
70.07219	1.4
70.07626	0.6
75.03991	0.3
79.05501	1.8
81.07050	1.0
84.03507	0.3
91.05482	8.2
93.07047	0.8
95.04948	0.8
103.05454	1.1
105.07032	9.4
108.61939	0.3
115.05453	4.4
116.06227	1.8
117.07024	9.0
119.04996	0.4
119.08537	2.4
121.06469	0.7
128.06229	11.1
129.07007	10.8
130.07788	3.2
131.04922	1.4
131.08566	20.0
132.05676	0.3
133.06523	0.5
133.10150	1.0
139.51558	0.3
141.05856	0.3
141.06993	6.9
142.07805	2.0
143.08563	11.6
144.05719	1.2
144.09343	7.2
145.06470	4.1
145.10129	4.1
146.07292	0.7
152.06192	0.8
153.06981	3.3
154.07770	11.7
155.06023	0.6
157.06502	1.7
157.10109	1.7
158.07297	2.1
159.08066	5.9
159.11694	17.5
167.08543	0.9
169.06482	1.0
169.10126	10.8
171.08167	0.7
172.08841	4.3
185.09596	0.5
187.07761	2.3
187.11179	100.0
188.11491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01845	0.9
55.02641	0.5
55.05484	0.7
56.73198	0.5
57.03425	0.8
63.70295	0.5
65.03940	0.7
67.05486	2.1
70.05692	0.5
71.42973	0.6
77.03902	0.6
79.05479	2.4
81.07038	2.1
91.05478	14.2
93.07037	1.7
95.04960	1.8
103.05455	2.8
105.07021	12.4
107.04927	1.0
115.05438	7.9
116.06265	2.7
117.07013	12.6
119.08574	4.2
121.06474	0.9
127.05444	0.6
128.06219	36.6
129.07018	12.5
130.07828	4.2
131.04912	1.5
131.08560	32.8
132.08862	1.0
133.06470	1.0
133.10106	2.1
141.06984	17.2
142.07788	3.7
143.08560	24.0
144.05693	2.3
144.09343	8.7
145.06491	7.4
145.10124	7.1
146.07239	1.2
152.06174	0.8
153.06999	4.5
154.07771	15.0
155.06061	1.3
155.08063	0.5
157.06540	1.7
157.10121	2.0
158.07268	3.2
159.08041	11.4
159.11687	27.3
160.08389	0.8
160.12022	0.7
169.06470	3.0
169.10121	19.3
169.11594	1.1
171.07970	0.9
172.08801	6.4
173.09100	0.5
176.89124	0.5
187.07623	8.6
187.11174	100.0
188.11546	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
53.03948	1.2
55.01873	1.1
55.05506	1.5
55.31484	0.8
60.34832	0.7
65.03940	0.7
67.05499	1.7
69.03425	3.2
70.12990	3.5
71.04976	0.8
74.75325	0.6
79.05508	1.3
81.03431	3.7
81.07069	2.0
84.04515	3.2
84.05037	0.6
85.02898	1.8
88.02220	2.8
91.05479	48.0
91.45614	0.8
93.07039	2.7
95.04973	1.8
103.05453	5.3
105.07034	9.7
105.90543	0.8
109.02854	1.1
115.05446	26.3
115.06267	1.4
116.06235	40.5
117.07030	9.9
119.04951	1.1
119.08589	2.4
127.03896	0.9
127.05440	1.3
128.06224	28.3
128.21059	0.8
129.07002	83.9
130.07564	2.2
131.04932	6.1
131.08560	89.3
132.08920	2.3
133.06493	2.1
141.06979	29.2
142.07570	1.1
143.08574	7.7
144.05696	60.2
144.09358	3.2
145.06508	7.8
145.10120	14.8
153.06964	1.2
154.07785	3.9
155.04895	1.2
155.06032	3.4
156.05701	1.3
157.06491	6.8
157.10098	1.1
158.07234	2.3
158.10902	1.4
159.04454	3.1
159.08054	100.0
159.11667	19.3
160.08429	2.5
160.12096	0.9
162.14807	0.7
169.06432	1.4
169.07645	16.6
169.10039	6.2
171.04414	1.0
172.05183	18.4
172.08879	2.5
173.00703	1.7
175.07512	4.3
187.03958	5.7
187.07542	69.7
187.11163	39.1
187.14809	13.9
188.07887	2.1
188.11505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0752
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
51.02413	0.7
51.26687	0.5
52.10262	0.5
53.03941	0.9
53.24738	0.5
55.05519	0.5
59.30274	0.5
65.03935	0.6
67.05493	1.4
69.03419	1.4
69.79292	0.5
70.45344	1.1
70.45676	1.0
71.01330	0.6
79.05479	1.5
81.03407	1.9
81.07047	1.8
84.04492	1.2
85.02901	1.0
88.02219	1.3
91.05474	56.7
92.05807	1.0
93.07034	2.0
95.04991	0.9
95.08640	0.8
103.05482	3.9
105.07018	8.7
105.12051	0.6
106.45676	0.5
107.08580	1.6
115.05441	28.8
116.06236	46.4
117.07057	7.5
119.08565	3.9
121.06523	0.7
127.03844	0.6
127.05468	1.2
128.05244	1.2
128.06216	34.1
129.06998	100.0
130.07391	3.2
130.07716	2.8
131.04939	2.2
131.08557	98.9
132.08894	1.3
133.06485	2.4
133.10147	1.5
141.06979	37.8
142.07712	1.4
143.04942	0.7
143.06035	1.0
143.08553	5.5
144.05695	72.3
144.09326	3.7
145.06503	10.3
145.10117	9.8
153.06982	0.7
154.07774	4.1
155.06023	4.0
157.06494	6.6
157.10127	1.8
158.07262	2.9
158.10916	0.9
159.08044	91.0
159.11662	13.3
160.08379	2.9
169.06450	2.0
169.07645	18.9
169.10037	5.2
171.04427	1.7
172.05191	21.5
172.08876	2.6
172.12410	0.8
173.00900	0.7
173.05791	1.4
175.07536	4.2
186.06764	0.7
187.03938	1.7
187.07539	56.4
187.11160	42.4
187.14766	8.5
187.22504	1.5
188.07932	1.9
188.11613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.34912	0.2
55.01864	0.3
57.03440	0.3
57.07071	0.3
63.02374	0.2
64.38193	0.3
67.05508	0.4
69.03413	0.3
71.64392	0.3
74.39484	0.2
79.05486	0.7
81.03405	0.4
81.07066	0.6
88.02187	0.3
91.05471	3.6
93.07027	0.8
95.04955	0.3
95.08621	0.2
101.60182	0.2
103.05460	0.7
105.07032	2.5
115.05447	3.1
116.06242	2.0
117.07015	2.2
118.35291	0.2
119.08569	1.9
127.05405	0.3
128.06233	3.1
129.07005	3.9
130.07756	0.5
131.04915	0.5
131.07579	0.5
131.08560	8.8
132.46222	0.2
141.06967	2.9
143.08559	2.8
144.05692	48.1
144.09341	1.1
145.06281	1.3
145.10112	5.5
153.07004	0.6
154.07765	2.0
155.04932	0.5
155.06056	0.4
157.06477	0.6
157.10091	0.7
158.07268	0.7
159.04456	0.3
159.08054	4.9
159.11693	5.1
169.06430	0.5
169.07747	0.3
169.10120	2.8
172.05182	42.6
173.05511	1.3
187.04111	2.5
187.07535	100.0
187.11110	15.0
187.14783	4.2
188.07889	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	187.0754
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
51.02391	0.6
53.03953	1.3
55.05504	1.8
56.96560	0.8
57.07065	1.5
65.03954	0.6
67.05500	3.7
69.03423	1.1
69.07059	1.2
70.43970	0.9
70.44366	1.3
79.05497	4.9
81.03412	1.7
81.07055	9.9
83.08615	0.6
84.04503	2.0
84.95999	0.5
85.02882	0.5
88.02204	2.1
91.05473	46.5
92.05817	0.6
93.07032	8.5
95.04963	1.0
95.08607	5.6
98.97574	2.0
103.05459	3.1
105.07021	14.5
107.08580	7.3
115.04813	0.3
115.05438	21.3
116.06236	34.8
116.98631	2.2
117.07041	11.7
119.08578	10.9
121.10133	0.6
124.63338	0.5
127.03864	0.7
128.05252	1.2
128.06213	23.4
129.06996	76.8
130.07733	3.6
131.04927	2.1
131.08557	100.0
132.08940	2.2
133.06482	1.7
133.10110	2.0
134.99640	2.1
141.06979	27.1
142.07687	1.4
143.08543	7.8
144.05692	53.4
144.09358	3.8
145.06506	7.1
145.10115	35.6
146.10910	0.7
154.07739	2.5
155.04883	0.9
155.05966	3.1
157.06487	4.5
157.10152	2.5
158.07246	2.2
158.10866	1.7
159.08046	67.8
159.11674	17.6
160.08380	2.3
160.11948	0.6
169.06444	1.3
169.07635	12.9
169.10030	3.9
171.04395	0.9
172.05188	16.8
172.06683	0.9
172.08844	1.5
172.12515	1.3
173.00723	0.7
173.05795	0.6
175.07520	3.5
186.06743	0.8
187.03925	1.8
187.07538	45.0
187.11172	23.2
187.14806	33.7
187.22527	0.5
188.07927	1.6
188.11446	0.7
188.15155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.0
56.45141	0.6
57.41521	0.5
69.07079	0.9
70.82326	2.3
79.05485	1.9
91.05471	5.0
93.07032	3.8
95.04945	1.0
98.70183	0.6
103.05460	1.1
105.06387	1.1
105.07031	12.9
106.59048	0.6
115.05443	3.0
117.07050	1.4
119.08585	2.4
128.05269	1.3
128.06223	25.8
129.07013	36.1
130.07324	0.7
131.08582	5.2
141.06992	12.8
142.07784	33.0
143.08562	66.8
144.09396	4.9
145.06467	1.7
153.06956	0.9
155.06061	1.2
155.08549	13.6
156.09351	19.4
157.10132	60.7
158.10464	2.2
161.86670	0.6
168.09331	1.3
169.10098	1.4
170.10915	23.0
171.11298	1.0
183.11684	3.2
185.09737	1.9
185.13260	100.0
186.13588	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	185.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29693	0.6
50.31994	0.6
53.03939	0.9
55.01866	1.6
55.05505	7.9
56.05017	1.1
56.96547	2.9
57.07084	3.2
59.29777	0.6
59.64659	0.6
63.84211	0.6
67.05492	1.1
69.03416	1.4
69.07050	3.0
71.24004	1.6
79.05479	4.1
81.07046	2.2
83.05001	1.4
84.04482	1.1
85.02888	2.1
89.03899	1.7
91.05476	5.6
93.07040	5.4
95.04954	1.9
97.06496	1.1
98.06048	0.7
102.12806	2.1
103.05446	1.3
105.07034	16.9
107.08569	1.4
110.03638	0.6
111.04422	0.8
111.08099	0.7
114.05505	4.2
115.05465	3.8
117.03366	1.8
117.07001	2.5
119.08575	2.3
121.10135	1.4
121.89320	0.6
125.02316	0.8
125.05995	1.2
126.05508	2.1
128.06216	32.3
129.07008	47.4
130.07259	0.6
130.07791	0.7
131.08560	6.4
138.98920	1.0
139.01836	0.8
139.03899	0.9
139.05388	0.6
141.06978	12.3
142.02567	0.7
142.07770	39.6
143.08557	77.2
144.09381	5.6
145.02878	1.5
145.06456	2.6
145.10069	1.1
148.08565	0.6
152.06161	1.9
153.05521	1.6
155.06021	1.6
155.08554	10.4
156.09355	13.0
157.05081	1.3
157.06493	10.2
157.10123	58.9
158.05988	1.0
158.10445	2.3
159.08081	1.0
165.06952	0.7
167.03404	0.7
167.08530	1.9
168.09375	1.2
169.06438	2.9
169.07654	0.7
169.10204	1.1
170.07254	6.3
170.10915	15.3
181.02777	0.9
183.11670	2.8
185.06009	7.0
185.09627	38.7
185.13246	100.0
186.06763	2.7
186.09920	1.3
186.13553	4.1
186.22162	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01870	0.4
55.05500	0.6
56.05032	0.6
56.96572	0.2
57.03427	0.5
57.07063	0.2
58.06602	0.4
59.06122	0.4
60.04525	0.5
61.14464	0.2
64.10326	0.2
67.05498	0.8
68.05026	0.6
69.03427	1.1
69.03762	0.2
69.07076	0.7
70.06590	100.0
70.08424	0.8
71.01357	0.2
71.04987	0.6
71.06920	1.2
72.04526	0.3
72.08154	0.6
72.33579	0.1
73.02921	0.3
75.64745	0.1
79.05492	0.8
80.05019	0.3
80.05875	0.2
81.03407	0.9
81.07051	1.2
82.06603	0.2
83.04967	0.3
83.08648	0.2
84.04510	1.7
84.08160	0.9
85.02905	2.7
86.09722	0.6
88.02232	0.2
89.03925	1.0
91.05462	0.9
93.07061	0.4
94.06570	0.3
95.01337	0.3
95.04959	0.4
95.08612	0.9
96.04497	0.3
97.02898	0.6
97.06534	0.4
97.07658	0.3
98.06059	0.7
98.07180	0.2
98.20773	0.3
98.97604	0.3
99.04459	0.9
103.05456	0.5
105.07028	0.8
107.08581	0.3
109.02877	0.3
109.06525	0.4
109.07666	0.4
110.05997	0.2
111.04559	0.2
111.05620	0.2
112.07580	0.9
114.05526	3.5
115.05460	0.2
116.98636	0.2
117.03376	1.1
117.07010	0.4
119.08596	0.5
121.00819	0.5
122.06040	0.4
123.08063	1.0
123.11676	0.2
125.02385	0.2
125.06037	0.4
126.05517	2.9
126.06407	0.4
127.03934	1.2
128.06265	0.3
128.07124	0.3
129.07034	0.5
130.06554	0.6
131.04929	0.6
131.08560	1.2
133.10088	0.2
134.99675	0.2
135.04362	0.2
138.05542	0.4
139.01834	1.1
140.07054	1.7
141.07030	0.3
141.09117	0.2
143.08517	0.4
144.05635	0.3
144.06592	0.5
144.07710	1.1
144.08842	0.2
144.09201	0.2
145.02829	2.0
145.06564	0.2
145.10100	2.2
151.07593	0.6
154.05870	0.5
155.03410	0.4
157.10092	0.3
158.06030	0.9
158.08202	0.2
158.10768	0.2
159.08124	0.4
159.11708	0.9
163.01852	0.9
163.03880	0.2
168.06596	0.6
168.13834	2.6
169.07358	0.2
169.09830	0.4
172.08859	0.4
177.00706	0.2
181.02852	2.7
186.03569	0.3
186.05545	0.9
186.07664	2.1
186.11295	0.4
186.13559	0.3
186.14977	1.4
186.18582	0.4
187.02426	0.2
187.04027	0.5
187.07549	1.2
187.11130	0.8
187.14813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.32337	0.7
51.55474	0.7
55.05510	6.2
65.83945	0.9
66.99216	0.8
69.07059	1.3
69.25370	0.7
71.37175	1.8
79.05488	3.3
91.05485	5.9
93.07046	4.4
100.01657	0.8
105.07026	12.5
107.08569	1.2
115.05460	2.3
117.07023	0.9
119.08567	3.2
120.08826	0.8
125.06029	0.9
128.06223	20.3
129.07018	24.3
130.07747	1.2
131.08574	4.6
141.06995	7.4
142.07777	22.9
143.08562	73.5
144.09351	4.4
144.59241	0.9
145.06555	0.8
153.05632	1.0
155.08545	9.7
156.09355	10.9
157.10135	43.3
158.10439	1.7
168.09315	1.1
169.10144	1.7
170.07204	1.3
170.10905	18.2
171.11275	0.9
183.11667	2.2
185.09822	3.9
185.13260	100.0
186.13571	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	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05515	5.3
56.96570	6.8
58.77432	0.5
60.57057	0.5
65.03943	0.6
67.05515	0.9
69.07059	1.5
70.83220	1.5
71.98932	0.5
79.05504	3.5
81.07072	0.7
91.05482	6.3
93.07050	3.4
95.36110	0.7
102.21919	0.7
103.05460	1.1
105.07043	11.3
115.05457	4.9
117.07029	3.3
119.08594	2.8
128.06221	28.0
129.07014	31.9
130.07787	0.7
131.08563	4.7
133.04156	0.6
140.06749	0.8
140.56940	0.9
141.06992	10.3
142.04706	0.6
142.07790	23.7
143.08562	70.0
144.09386	4.9
145.06474	1.3
145.10083	2.7
149.07315	0.7
153.05675	1.3
153.55693	0.7
154.07672	0.6
155.06058	1.7
155.08562	15.6
156.09352	15.1
157.10133	45.5
158.10526	1.4
161.01176	0.7
162.06245	1.8
168.09322	1.1
169.10129	1.1
170.10922	22.7
171.11261	1.2
183.11707	1.4
185.09801	4.3
185.13260	100.0
186.13556	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	185.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88563	0.5
55.05509	6.1
64.40369	0.5
69.07072	0.8
70.89729	1.2
70.90065	0.6
78.95768	0.6
79.05483	1.5
81.07063	0.8
82.03893	0.6
89.46753	0.5
91.05476	3.9
93.07032	3.1
93.11044	0.5
103.05479	0.6
105.07019	11.4
105.30870	0.5
115.05452	2.3
117.07021	1.3
119.08586	1.7
124.16489	0.5
128.06221	21.8
129.07004	30.4
130.07773	1.1
131.08592	5.4
141.06989	7.5
142.07777	25.2
143.08560	68.1
144.09360	4.3
145.06458	1.6
145.10156	1.0
155.05968	0.9
155.08551	9.1
156.09357	13.8
157.10126	54.7
158.10458	2.1
168.09340	1.9
169.07655	0.6
170.10907	10.3
171.11342	0.7
183.11699	2.6
185.13258	100.0
186.13574	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
52.81773	0.7
53.03934	0.8
55.05506	6.9
67.05470	0.7
69.07058	0.6
70.91333	1.5
79.05482	2.6
79.50719	0.5
81.31120	0.5
91.05473	6.0
93.07032	3.9
95.04954	0.9
103.05467	1.1
105.07027	12.7
110.74985	0.5
115.05454	4.0
117.07014	1.5
119.08585	3.4
122.02446	0.5
128.06218	30.8
129.07010	35.1
130.07697	1.0
131.08574	5.0
141.06987	14.0
142.06111	0.6
142.06621	0.8
142.07777	37.0
143.08557	65.6
144.09389	6.5
145.06497	2.2
145.10077	1.1
153.06998	0.6
154.07803	0.7
155.05991	1.7
155.08559	20.0
156.09357	19.9
157.10126	58.4
158.10445	2.9
159.08060	0.7
168.09294	1.3
169.10106	2.1
170.10904	25.1
171.11244	1.1
183.11694	2.2
185.13251	100.0
186.13582	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	185.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96192	0.4
55.01859	0.5
55.05510	2.3
65.03922	1.4
67.05496	1.8
68.99776	2.0
69.03410	1.0
69.07050	1.3
71.04967	1.3
71.64467	0.6
72.08133	1.0
75.04462	1.3
79.01853	2.1
79.05489	1.1
81.03363	0.8
81.07062	1.0
82.04198	2.1
83.04965	1.7
83.08615	0.5
85.02882	1.2
86.09697	0.8
91.05480	0.8
93.03395	1.4
93.07023	1.9
94.60904	0.4
95.01324	8.4
95.04951	2.1
95.08575	0.6
97.06525	1.2
99.04434	0.5
105.07022	2.1
107.01315	1.2
109.02865	1.4
110.03658	28.7
111.04462	7.6
111.08120	0.6
111.89044	0.4
114.05515	1.2
115.05460	1.3
117.03381	0.7
119.08537	0.5
121.10166	0.8
123.04417	2.6
125.02342	1.3
125.05986	81.9
126.05510	0.6
126.06324	1.5
127.03919	6.5
128.06213	5.8
129.07007	6.3
131.08614	0.8
135.04402	0.4
138.03119	1.1
139.03896	20.8
140.04666	0.8
141.07030	2.1
142.02637	1.3
142.06148	0.8
142.06644	0.6
142.07788	6.7
143.08553	9.3
144.09265	0.6
145.02829	1.0
153.05457	100.0
153.81017	0.4
154.06248	41.4
155.03391	3.8
155.06943	1.8
155.08540	2.9
156.04160	1.3
156.09364	3.0
157.04999	0.9
157.06436	0.8
157.08765	0.7
157.10121	10.8
158.10593	0.5
167.08487	0.5
169.04938	0.5
170.05760	6.0
170.07170	0.7
170.10895	3.3
185.02744	0.6
185.04449	1.0
185.06090	1.7
185.08098	24.0
185.09598	2.9
185.13226	14.2
186.13585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
51.02364	0.6
53.03932	0.7
55.01862	0.7
55.05503	1.3
56.96570	0.7
57.03434	0.5
64.48874	0.4
65.03926	1.7
67.05491	1.7
68.99799	2.5
69.03413	1.0
69.07058	1.2
69.54158	0.4
70.06590	3.7
70.60529	1.4
71.04991	0.6
71.94565	0.4
72.08145	0.9
74.22105	0.4
75.04469	1.2
79.01836	2.1
79.05484	1.4
81.03416	0.8
81.07045	0.4
82.04197	2.6
83.04984	2.1
83.05396	0.4
84.04483	0.5
85.02911	1.3
86.09694	1.6
91.05492	1.2
93.03384	1.4
93.07024	1.4
95.01321	8.7
95.04989	2.5
95.05466	0.5
95.08620	0.7
97.02891	1.0
97.06535	1.1
97.07593	0.7
98.97544	0.5
99.04442	1.0
105.07060	2.0
107.01295	0.8
107.08585	0.8
109.02894	1.1
110.03655	28.4
111.04460	7.9
114.05500	0.9
115.05461	0.7
121.10147	0.8
123.04430	2.0
124.05242	0.9
125.02340	1.8
125.05986	85.2
126.05489	0.6
126.06382	1.6
127.03917	6.2
128.06232	3.6
129.07013	4.9
131.08563	0.7
134.03578	0.5
138.03127	1.2
139.03896	21.2
139.07536	0.6
139.11137	0.5
140.04691	1.2
141.07001	1.6
142.02608	1.2
142.06126	0.9
142.07758	4.9
143.08542	9.4
153.05458	100.0
154.06244	42.7
154.07666	0.5
154.08047	0.6
155.03380	3.0
155.06998	1.2
155.08525	1.6
156.04189	1.1
156.09396	2.2
157.04964	0.9
157.10120	7.2
163.01781	0.5
170.05746	6.5
170.10930	2.9
185.02766	0.5
185.04491	1.1
185.08099	26.6
185.09578	1.5
185.13216	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	185.1325
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03949	0.6
55.05510	5.8
55.08404	0.6
56.96554	1.8
57.03436	0.5
57.07104	0.4
65.03931	0.5
67.05503	0.7
69.07059	1.5
71.05001	0.6
71.62828	0.8
79.05488	2.9
81.07049	1.3
83.04993	0.6
84.04480	0.9
85.02905	1.0
89.03907	1.3
91.05486	4.9
93.07033	3.5
95.04956	0.9
95.08589	1.0
102.96825	0.8
103.05450	1.3
105.07025	9.9
107.08567	0.7
109.02873	0.4
111.04483	0.6
114.05505	2.2
115.05421	4.2
117.03368	1.5
117.07004	2.8
119.08575	1.8
121.06501	0.5
125.02402	0.6
125.05988	0.7
126.05487	2.1
128.06218	25.4
129.07010	44.9
130.07419	0.9
131.08557	6.2
133.20195	0.5
138.13776	0.5
138.99004	0.5
139.03830	0.8
140.06947	1.2
141.06995	11.4
142.07782	25.3
143.08559	53.9
144.09393	4.4
145.02864	1.4
145.06488	1.5
145.10121	1.5
153.05528	0.8
154.07808	0.6
155.06024	2.1
155.07271	0.8
155.08551	15.0
156.09343	13.0
157.05128	0.5
157.06491	2.1
157.10126	35.7
158.10483	1.1
167.03400	0.5
168.09360	0.9
169.06471	0.6
169.10100	1.3
170.07266	1.1
170.10907	17.4
181.02870	0.9
183.11690	1.4
185.04533	0.7
185.05968	2.7
185.09682	8.9
185.13255	100.0
186.07764	0.7
186.13594	5.1
186.22156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03892	1.1
55.01851	0.8
55.05478	1.4
57.22464	0.7
61.27817	0.7
65.03905	2.1
66.83032	0.7
67.05485	1.3
68.99754	2.8
69.03389	0.7
69.07047	1.0
70.23491	3.2
75.04452	1.4
75.92025	0.7
76.00797	0.8
79.01824	2.2
82.04152	2.7
83.04964	1.4
85.02899	1.2
86.09696	1.6
88.92722	0.7
89.12336	0.7
93.03384	1.5
93.07031	1.3
95.01332	10.6
95.04939	2.2
96.01010	0.7
99.04436	0.8
107.01305	1.1
110.03662	33.9
111.04468	8.0
115.32769	0.8
117.92065	0.8
123.04398	1.9
125.02314	1.5
125.05992	87.9
126.05521	1.0
126.06345	2.2
127.03909	6.3
128.06216	1.6
129.06989	1.9
138.03087	1.1
139.03905	22.8
140.04611	1.1
141.05460	0.9
142.06116	0.8
142.07759	1.8
143.08536	3.2
153.05464	100.0
154.06252	43.1
155.03386	3.2
155.06915	1.2
156.04181	1.4
157.06584	0.9
157.10158	3.0
167.54668	0.7
169.04918	1.1
170.05646	7.4
170.10870	1.1
185.08116	24.6
185.09557	1.6
185.13268	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	185.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
65.03926	1.5
67.05495	1.7
68.99782	2.1
69.03425	0.8
69.07060	1.1
70.06597	1.4
70.88647	1.0
72.08147	0.7
75.04472	1.5
79.01848	2.7
79.05489	1.3
81.03409	0.8
81.07040	1.1
82.04206	2.5
83.04963	1.6
84.04478	0.5
85.02889	1.5
85.06551	0.7
86.09694	1.2
91.05473	0.8
93.03406	1.1
93.07030	1.8
94.04178	0.7
95.01323	9.5
95.04964	3.5
95.08553	0.5
97.02864	1.0
97.06539	1.5
99.04429	1.2
105.07025	2.1
107.01283	1.2
107.04914	0.6
107.08566	1.1
109.02872	1.2
110.03661	30.8
111.04456	8.8
114.05532	0.7
121.06524	1.0
121.10123	1.1
123.00817	0.7
123.04415	2.2
124.05199	0.9
125.02337	1.5
125.05986	86.6
126.06359	1.7
127.03909	5.9
127.08739	0.5
128.06207	3.0
129.07010	4.0
131.08583	1.0
135.04474	0.8
138.03122	1.1
139.03893	23.8
139.11119	0.5
140.04617	0.8
140.68085	0.5
141.05426	0.8
141.06987	1.3
142.02592	0.9
142.06082	1.0
142.06650	0.5
142.07784	6.0
143.08559	8.3
153.05460	100.0
154.06247	44.5
155.03403	3.3
155.06961	1.9
155.08548	1.6
155.25424	0.5
156.04187	1.0
156.09331	2.4
157.04990	0.9
157.06409	0.5
157.10133	8.7
157.71866	0.5
169.04918	1.2
170.05736	8.1
170.10934	3.2
185.04512	1.2
185.08098	25.0
185.09563	1.6
185.13239	11.1
187.67789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32090	0.4
63.57206	0.4
70.09138	0.9
70.09547	1.6
70.66414	0.3
79.84489	0.4
82.99844	1.2
91.59766	0.4
101.00880	21.9
102.00964	0.9
113.96023	0.4
119.01922	100.0
120.02016	4.1
124.02466	1.4
137.02957	29.3
138.03078	1.3
142.03502	18.2
142.04617	0.9
143.03658	1.7
160.04558	6.3
161.02972	6.5
161.04643	1.3
165.05089	0.7
179.04005	9.7
179.05544	0.9
181.87523	0.4
184.04613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03956	2.0
55.01866	0.5
55.05503	1.1
56.96561	1.1
65.03920	0.8
67.05511	2.8
68.99770	0.6
69.77209	2.9
69.87929	0.4
73.04134	0.3
77.03937	0.4
79.05486	1.0
79.27689	0.4
81.07050	1.3
91.05476	2.3
93.07021	0.5
95.04967	15.6
95.08591	1.4
96.05292	0.4
98.20752	0.8
98.98458	2.8
101.95031	0.3
105.03394	3.1
105.04507	0.8
105.07032	2.8
107.08563	0.4
109.02841	0.4
109.10154	1.1
112.81396	0.4
115.05444	3.0
119.96079	0.4
123.04427	10.4
125.02340	1.0
127.01579	0.5
128.06216	4.5
128.24324	0.4
129.06995	5.1
137.05925	0.6
140.04669	3.5
140.73238	0.4
141.06973	14.2
142.07782	10.4
143.08556	4.5
145.06499	0.6
152.06186	2.5
153.06985	44.5
154.07780	5.3
155.07187	2.3
155.08546	54.7
156.08856	2.0
165.05466	5.2
165.06995	1.8
166.07764	1.8
167.08572	10.2
168.09341	90.2
169.09671	3.1
181.10141	1.9
182.10783	0.4
183.08131	3.4
183.11690	100.0
184.12022	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	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
52.18831	0.6
60.23330	0.7
67.05502	1.0
70.85464	0.6
70.85773	1.2
91.05475	1.9
93.18156	0.7
95.04925	1.0
105.07018	2.2
115.05433	2.8
123.04423	1.2
125.21719	0.7
128.06247	3.5
129.06998	3.5
141.06982	14.6
142.07779	12.0
143.08553	5.5
152.06219	2.5
153.06987	49.8
154.07785	8.2
155.08553	51.5
156.08899	1.5
163.83113	0.6
165.07001	2.3
166.07704	1.1
167.07231	1.1
167.08557	13.4
168.09341	98.4
169.09671	3.8
181.10165	2.0
183.11691	100.0
184.12048	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	184.0607
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
51.02401	0.5
53.03948	1.0
55.01872	1.4
55.05514	1.3
56.05043	0.5
56.96566	28.1
57.03432	2.5
59.05007	0.6
60.95848	1.1
61.02929	1.2
65.03936	2.1
67.05508	1.4
68.05033	0.7
69.03435	3.8
69.07059	0.6
70.06592	3.9
70.08073	1.3
70.98115	0.9
71.04991	1.7
71.95267	1.6
72.08141	0.3
73.02920	2.8
74.97614	1.5
79.01856	0.4
79.05482	1.0
80.94981	0.4
81.03419	2.4
81.07053	0.7
82.06597	1.0
83.00780	1.5
83.01329	0.7
83.04976	1.1
83.06103	0.6
84.04499	0.9
84.08148	0.8
84.96030	1.5
85.02901	4.1
86.03576	0.8
86.06052	1.3
86.09705	1.1
87.04493	0.6
88.99134	0.6
89.00795	0.7
90.01557	1.1
91.00527	0.6
91.05482	1.0
92.01321	1.0
92.05002	2.9
94.06573	0.6
95.04993	1.9
95.08652	0.4
96.01566	0.5
96.04504	0.6
96.05319	1.1
96.08105	0.7
97.02883	4.5
97.06582	0.4
97.07698	0.5
97.96871	0.4
97.99199	0.5
98.01300	0.7
98.06033	0.4
98.97585	11.0
98.98504	0.5
99.04488	0.6
99.09253	0.4
100.03990	0.7
101.00872	5.4
101.95036	7.8
101.97250	0.5
102.96879	1.3
103.02370	0.5
104.01286	0.7
104.04998	0.8
105.03401	1.0
105.07043	0.5
106.03796	0.4
107.01841	0.6
107.04961	1.3
108.01572	0.5
109.02876	1.1
109.07661	0.7
110.01271	2.4
110.03615	0.5
110.06048	2.4
110.07227	0.4
110.97583	1.7
111.04442	2.5
111.05605	0.6
112.01035	1.6
112.03902	0.4
114.03013	0.6
115.02449	0.5
116.98626	8.8
118.01022	1.3
118.03545	0.4
119.01913	52.3
119.52001	0.4
119.96066	3.8
120.02026	2.5
120.04487	2.2
120.05196	0.4
120.97944	1.0
121.01579	1.4
121.06510	0.4
121.52084	0.6
121.97569	0.4
122.06075	0.7
123.04429	5.3
124.00992	0.6
124.03943	0.9
124.04738	0.8
124.07616	0.8
124.99954	0.4
125.02391	4.1
125.07120	0.5
127.03934	1.2
128.02293	5.0
128.06197	0.4
128.98615	3.6
130.52565	0.6
131.00180	1.2
131.01872	1.1
133.01604	1.3
133.03418	0.9
134.01285	0.7
134.99660	6.1
135.03171	0.5
136.02840	0.4
137.02943	24.8
137.05940	0.5
137.53265	0.5
137.97105	3.9
138.03143	0.8
138.05490	8.1
138.09128	0.6
138.98936	1.1
139.01540	1.3
139.03917	2.8
140.00179	0.7
140.03410	0.4
140.07042	0.4
140.10809	0.6
142.01738	1.3
142.03511	9.8
143.00154	2.3
143.01892	0.7
143.03677	0.7
143.08476	0.7
144.98083	1.0
145.01590	1.4
146.99666	3.3
147.04422	1.1
148.03928	85.2
149.01186	0.9
149.04259	1.7
151.03908	0.5
153.00716	1.2
154.02052	0.7
154.07352	0.7
155.04639	0.6
155.98125	1.8
156.03439	0.4
156.05159	0.6
156.08945	0.4
156.11298	0.6
157.01598	0.5
157.09857	0.5
158.01239	0.9
158.99666	1.1
159.03404	0.5
160.02887	3.3
160.04562	4.7
160.97589	0.6
160.98804	0.9
161.01224	4.9
161.02936	4.4
161.04182	0.6
161.04816	0.8
162.99129	1.1
163.02763	0.7
165.00766	0.5
166.05000	100.0
167.05357	2.0
167.06744	0.6
169.01753	0.4
169.09712	0.6
170.99672	0.4
174.99109	0.4
175.02727	0.4
177.00650	1.0
178.03893	0.8
179.00035	1.0
179.02293	1.4
179.04012	6.5
179.05447	0.5
181.00195	0.5
181.01743	0.4
183.97716	0.5
184.00381	0.6
184.02878	0.8
184.04572	0.9
184.06056	13.5
184.07509	1.0
184.09647	1.8
184.10899	0.8
184.12093	0.5
184.13356	1.5
185.01239	0.4
185.09367	0.4
185.13216	0.4
189.00735	1.3
197.01259	1.4
199.02701	0.5
202.03864	1.3
202.05614	0.7
203.02422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1168
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03954	0.9
55.01885	0.4
55.05521	0.6
57.03456	0.4
65.03932	0.3
67.05507	1.7
68.99792	1.3
71.04980	0.5
71.22691	0.3
71.23086	0.7
79.05495	0.6
81.07079	0.7
84.77731	0.4
91.05497	0.9
93.07066	0.5
95.04970	6.1
95.08630	0.8
97.02899	0.6
97.06558	0.4
98.98471	1.2
99.04457	0.7
105.03398	2.4
105.04519	0.5
105.07058	1.5
109.06490	0.6
109.10104	0.8
115.05470	0.5
116.75386	0.4
119.08567	0.6
123.04431	4.7
123.08104	0.7
125.02312	0.5
128.06227	1.3
129.06993	1.1
133.02832	0.5
137.05994	1.0
140.04683	2.6
141.06978	4.0
142.07777	6.6
142.08792	0.5
143.08566	3.0
151.95663	0.4
152.06206	1.5
153.06990	34.4
154.07507	1.4
155.07242	0.9
155.08549	25.2
156.08955	0.7
165.07005	0.7
166.07756	1.0
167.08577	8.5
168.09340	100.0
169.09698	3.2
181.10124	1.5
182.10901	0.5
183.06461	1.4
183.11690	67.6
184.12053	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	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68987	0.3
53.03938	0.6
55.01860	0.6
55.05511	0.6
56.05021	0.4
56.96563	17.4
57.03426	1.6
60.04525	0.4
60.95846	0.4
61.02906	1.1
68.05831	0.3
69.03429	1.7
69.07068	0.5
70.06583	1.4
70.22845	1.6
70.98116	1.9
71.04986	1.1
71.95261	1.5
72.96028	0.5
73.02917	1.7
74.97604	0.6
80.94946	0.7
81.03407	1.2
81.07069	0.3
82.01463	0.3
82.06615	0.4
82.99850	1.1
83.04946	0.5
84.04488	0.4
84.08141	0.7
84.96021	0.6
85.02907	2.6
86.03552	2.6
87.04458	0.5
88.99155	0.9
89.00829	0.4
94.06577	0.7
96.01570	0.4
97.02892	1.6
98.01266	0.4
98.97581	10.0
99.04453	0.7
100.02502	1.2
101.00876	17.2
101.95023	1.8
102.00982	1.2
102.96867	0.7
103.02372	0.6
108.01550	0.5
108.04369	0.5
109.02920	0.7
110.97577	1.1
112.02829	0.4
112.99088	0.6
113.04612	0.6
114.02990	1.8
115.00558	0.4
115.02422	1.2
115.97907	0.3
116.00257	0.5
116.98621	5.6
117.02049	0.7
117.03969	0.7
118.03527	0.9
119.01917	100.0
119.96059	1.1
120.01992	5.0
120.97904	1.3
121.01620	1.2
121.05077	0.6
121.97521	0.5
123.04461	0.8
123.06736	0.6
124.02465	1.0
125.02414	0.6
127.06152	0.8
128.02316	1.1
128.98636	1.7
131.00179	1.5
131.01878	1.5
133.01646	1.6
133.03461	1.6
134.02199	0.5
134.99646	3.3
135.03079	0.4
136.07549	1.2
137.02951	36.7
137.04636	1.3
137.97116	0.7
138.03078	1.3
138.05489	1.1
138.07784	0.5
139.03873	0.5
139.06183	0.4
139.08676	0.5
140.02287	0.4
142.03497	19.5
142.08540	0.5
142.96527	1.1
143.00162	1.3
143.01884	1.6
143.03596	2.1
144.04970	0.4
145.03429	1.0
146.99670	1.7
148.02071	0.4
148.03905	0.8
149.01245	0.8
149.02902	0.4
151.02661	0.7
151.04752	0.7
153.07764	0.6
154.07269	1.3
155.04556	0.4
156.03252	0.7
156.05135	1.0
157.03476	0.8
159.03336	0.4
159.05022	0.5
160.02809	1.3
160.04573	6.2
160.96095	0.3
160.97577	1.2
161.01237	3.0
161.02960	10.0
161.04883	2.0
162.04369	0.6
163.02740	0.8
165.00735	0.6
166.04994	1.8
166.08623	1.9
167.05620	0.4
169.01945	1.2
173.02979	0.7
175.02795	0.5
175.04457	0.8
177.00673	0.5
178.98596	0.6
179.02309	1.4
179.03984	9.2
179.05553	0.6
181.03763	0.4
184.02737	0.6
184.04465	4.8
184.06062	0.6
184.09587	3.3
184.13344	1.4
185.02876	0.7
189.00697	0.4
201.00552	0.4
202.05580	0.7
202.98700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	mHPHA
Peak:m/z	Relative Intensity
51.02378	1.2
53.03946	11.9
54.04274	0.5
55.01872	3.6
55.05509	0.7
56.05042	0.5
56.96566	3.1
59.06123	1.6
65.03941	4.8
67.05506	9.6
67.76471	0.5
68.99795	0.6
69.03431	1.3
69.07078	0.7
70.06583	1.3
70.88397	1.3
70.98830	0.5
71.05003	1.0
72.08168	0.5
77.03935	1.8
79.05494	0.7
81.03413	2.2
81.07065	1.6
83.05015	0.5
83.06085	0.8
84.96028	0.7
85.06560	0.6
91.05482	2.8
93.03368	0.5
93.07042	1.2
95.04969	100.0
95.08629	2.5
96.05301	1.6
96.08129	0.9
97.02880	1.4
97.06531	0.5
97.07683	1.1
98.03689	0.6
98.06076	0.8
98.97601	2.0
98.98476	2.5
99.04442	1.4
105.03403	4.9
105.04499	5.5
105.07014	0.5
107.04953	0.5
108.02073	0.4
109.02898	0.6
109.06502	0.8
109.07665	0.9
109.10172	1.2
110.03642	0.7
110.06039	0.9
110.97581	0.8
111.04436	1.7
116.98608	1.4
117.03351	0.4
119.01938	0.6
119.04931	3.5
119.08608	1.5
120.05216	0.5
121.03972	0.8
122.03625	0.9
123.04430	73.9
123.08021	2.1
124.04753	1.0
124.07589	2.9
124.08585	0.8
125.02377	4.1
125.05962	0.7
125.07121	1.0
125.09634	0.5
127.07613	0.5
128.98599	1.0
133.02895	0.8
134.99661	0.7
137.05980	2.4
137.09604	1.2
138.06613	0.5
138.09145	0.6
140.04688	30.8
141.05412	0.5
142.07785	1.0
143.08594	0.5
146.99704	0.6
147.04416	7.2
148.04767	0.9
148.08664	0.6
153.06966	2.8
155.07043	17.9
155.08528	2.5
160.04680	0.5
161.01166	0.7
165.04344	0.5
165.05576	0.8
165.09085	0.6
166.08620	0.6
166.09827	0.5
167.08611	0.8
167.53764	0.5
168.04204	0.5
168.09346	5.0
183.04729	0.7
183.06535	4.3
183.08029	0.8
183.10051	0.9
183.11600	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	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01604	0.4
51.02375	0.8
52.03161	0.2
53.00299	0.2
53.03948	10.8
54.04296	0.2
55.01871	3.4
65.03940	5.2
65.06065	0.2
67.05504	7.7
68.99786	0.3
69.86810	1.0
72.82704	0.2
73.43215	0.2
77.03933	2.6
80.02660	0.2
81.03409	1.6
82.04206	0.2
89.10019	0.1
90.08369	0.2
90.78016	0.2
93.03404	0.7
95.04967	100.0
96.05288	1.5
97.02887	0.6
98.03674	0.4
98.98466	0.2
105.03426	0.3
105.04516	5.4
108.02077	0.4
110.03651	0.4
110.89391	0.2
111.04462	0.9
118.06542	0.8
121.03994	0.8
123.04427	76.7
124.04752	1.4
125.02351	5.0
140.04681	32.5
141.05017	0.6
141.07010	0.5
142.07816	0.3
143.08585	0.2
153.07010	2.1
154.07672	0.2
155.07037	18.4
155.08488	1.6
156.07391	0.5
167.08591	0.5
168.09372	3.4
168.10757	0.2
181.10072	0.2
183.06541	3.5
183.11684	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	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02378	1.3
51.69538	0.4
52.03180	0.4
52.42830	0.4
53.03946	13.8
55.01872	4.1
55.05502	0.7
56.05000	0.5
57.03413	0.5
59.06112	1.0
60.10994	0.4
65.03938	3.9
67.05503	10.5
67.05868	0.5
68.05099	0.4
68.99779	0.7
69.03423	1.0
69.07069	1.0
69.87405	3.0
70.06596	0.5
71.04996	0.5
77.03928	1.5
79.05468	1.0
81.03424	2.1
81.07048	1.2
83.05011	0.6
83.06093	0.5
91.05477	1.4
93.03416	1.0
93.07034	0.8
94.04185	0.6
95.04963	100.0
95.08597	1.4
96.05291	1.3
97.02885	0.8
98.21442	0.4
98.98462	2.5
99.04444	0.7
105.03397	4.9
105.04500	6.5
105.07023	1.1
109.02917	0.5
109.06505	0.5
109.07659	0.6
109.10187	1.1
110.03674	0.6
111.04453	1.5
115.05487	0.5
119.08588	1.5
121.03965	0.5
123.04422	79.5
123.08041	1.2
124.04762	1.2
124.07603	5.6
125.02345	4.4
125.06017	0.7
125.07082	0.8
129.07024	0.6
133.02815	1.1
137.02338	0.5
137.05994	1.5
137.09604	1.5
138.09111	1.0
140.04675	30.8
140.10703	0.8
141.05411	0.9
141.06996	0.6
141.11070	2.3
142.07777	0.9
148.08652	0.5
153.05804	0.5
153.06967	3.5
155.07019	20.5
155.08495	4.1
165.05481	0.7
165.09119	1.1
166.08624	0.9
167.08615	0.5
168.04128	0.7
168.09328	7.1
169.04723	0.4
175.39661	0.4
183.06551	6.1
183.08055	1.0
183.10051	0.9
183.11652	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	183.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.6
65.63594	0.3
66.02031	0.4
70.25897	2.0
71.83501	0.4
72.72980	0.4
82.99844	1.4
83.06120	1.8
98.97555	0.7
100.02478	2.3
101.00874	21.9
105.03368	0.5
118.02684	0.4
118.03516	6.9
119.01913	100.0
120.02020	1.4
121.02399	0.7
124.02420	2.4
136.04573	3.9
137.02950	32.2
141.05049	1.2
142.03488	41.1
143.03671	0.5
159.06165	1.7
160.04549	36.2
161.02960	4.7
161.04904	0.7
165.05107	1.2
168.09363	0.7
177.00964	1.6
178.05586	10.6
179.03973	7.9
183.06215	2.4
184.04582	0.5
200.48924	0.4
201.07191	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	182.0812
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.85257	0.3
53.03934	1.0
55.01854	0.9
55.05509	1.0
56.05024	0.5
56.32819	0.3
56.96560	6.2
57.03424	0.5
60.72554	0.3
61.02926	0.4
65.03925	1.0
67.05486	1.4
69.03410	1.2
69.07067	0.4
70.06586	1.0
70.30338	1.2
71.04977	0.5
71.95245	0.4
73.02922	0.9
74.02431	1.1
76.57965	0.3
79.05496	0.9
79.97054	0.4
80.04990	0.6
81.03419	0.6
81.04556	0.6
81.07047	1.0
82.06535	0.4
83.04974	0.8
83.06109	0.7
84.04489	0.6
84.08108	0.7
84.96005	0.7
85.02892	1.2
86.06078	0.7
87.04478	0.6
91.05479	31.4
92.05801	0.9
93.07048	0.8
94.06581	2.0
94.42502	0.4
95.04964	8.0
95.06048	0.6
95.08611	0.4
96.04436	0.4
96.08159	0.4
97.02889	1.1
97.06461	0.3
97.07611	0.6
98.06043	1.0
98.07200	0.4
98.09634	0.3
98.97578	3.0
98.98460	1.1
99.05595	0.3
99.97929	0.4
100.07595	0.4
103.05465	1.0
105.03387	2.6
105.04482	0.4
106.06570	0.6
107.04940	1.1
107.06063	0.3
108.04459	1.3
108.05211	0.6
108.08106	1.1
109.02898	0.5
109.06561	2.2
109.07642	0.9
110.01289	0.4
110.97519	0.4
111.04427	1.0
111.05548	0.5
112.04010	0.3
116.98617	1.9
117.98976	0.7
118.06524	2.9
119.01884	1.0
119.04940	36.2
120.05285	0.6
121.06503	0.6
122.06021	1.3
122.07116	0.7
123.04430	14.2
124.07580	0.7
124.08720	0.5
125.05989	0.4
125.07080	0.5
127.03870	0.6
128.02354	1.0
128.98537	0.5
131.01913	0.4
131.10400	0.4
134.99669	2.2
135.99995	1.0
136.07573	100.0
137.05981	1.2
137.06972	0.5
137.07953	1.5
138.05516	0.6
139.03891	0.9
140.04503	0.5
140.07104	0.5
140.08156	0.9
141.01776	0.5
146.06010	0.6
146.99626	0.6
147.04385	5.5
149.01231	0.4
150.05527	4.2
153.00732	0.9
153.05472	2.1
154.03571	0.5
154.04866	0.5
154.08638	0.8
155.07043	0.4
158.99637	1.1
160.04558	0.6
163.96848	0.4
164.04337	0.6
164.06998	1.7
164.08257	0.5
165.01804	0.8
165.05478	6.8
165.06721	0.7
166.98602	0.6
167.03314	0.4
175.94968	0.4
177.00682	2.7
181.04955	1.4
182.00996	1.1
182.04526	1.5
182.05722	1.3
182.08044	6.1
182.11705	1.2
182.19049	0.6
183.06444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01870	11.4
55.05507	2.2
56.96565	48.4
57.03437	43.8
58.03745	1.1
58.99861	3.0
59.05006	1.7
59.85582	0.7
60.02116	0.9
61.02926	33.7
65.03944	1.3
67.01853	0.9
67.05493	2.9
68.00252	0.9
68.98292	1.2
69.03429	48.0
69.64155	5.2
70.03755	1.1
70.98109	1.9
70.99857	3.1
71.01350	4.0
71.04996	7.9
71.95251	2.1
72.54646	0.8
73.02917	60.7
74.03268	1.5
74.03658	0.7
74.97591	2.0
75.04505	1.1
77.00906	4.7
79.02169	1.3
79.05497	1.3
80.00246	1.0
80.02945	1.6
81.01012	1.0
81.01895	1.8
81.03416	19.4
81.07050	1.9
82.02693	3.5
82.99857	2.5
83.00785	3.1
83.01322	1.4
83.04982	3.1
84.01605	1.0
84.96033	3.4
85.02904	52.1
86.03237	1.0
86.03702	1.0
86.09749	1.3
86.99340	2.5
87.01911	5.8
87.04491	4.0
88.02692	6.6
88.52787	0.8
89.00797	3.5
90.01557	2.0
91.00512	2.1
91.02369	1.2
91.03226	1.1
91.03938	2.1
91.05487	1.7
92.01306	2.2
93.01874	4.9
93.07044	0.9
93.51936	1.3
94.02669	5.1
94.52728	1.6
94.99841	1.5
95.00800	0.9
95.01341	3.2
95.01915	1.3
95.03479	2.0
95.04977	15.2
95.08595	1.5
96.01540	0.9
96.02428	7.1
97.02351	2.7
97.02885	44.0
97.06508	0.8
97.96855	0.9
98.01303	2.1
98.03222	1.3
98.03951	1.6
98.97591	13.3
98.98454	6.2
99.01995	1.9
99.04452	10.4
100.02663	8.1
100.05252	1.2
100.52799	1.0
100.99148	1.5
101.00875	26.5
101.02442	3.4
101.03440	1.9
101.53529	1.1
102.00953	1.8
102.02408	16.6
102.52474	2.5
103.00598	1.5
103.02424	3.8
103.03193	3.1
103.03910	1.5
104.01279	1.1
104.10752	1.0
105.00362	2.6
105.01958	1.3
105.03425	10.4
105.04539	1.1
106.02811	8.4
107.01768	1.2
107.03429	0.8
107.04510	1.3
108.02405	6.2
108.52485	1.9
109.02969	8.7
109.06534	0.9
109.53271	1.8
110.01273	4.2
110.02097	1.5
110.03981	1.1
110.06055	0.8
110.97573	3.0
111.02145	1.6
111.02919	15.0
111.04467	1.3
111.53012	2.4
112.02685	2.0
112.99150	2.4
113.00872	8.7
113.01598	1.2
113.01735	0.9
113.02381	7.7
113.53200	1.7
114.00874	3.0
114.02410	4.9
114.03405	1.5
114.06763	1.2
114.52460	1.5
115.02430	9.9
115.03279	8.2
115.03972	1.4
115.53326	0.8
116.03966	1.1
116.98614	9.5
117.02025	2.4
117.02949	3.4
117.03880	1.1
117.04716	0.9
117.98995	0.8
118.01113	4.2
118.03638	5.2
118.53852	0.8
119.01917	100.0
119.08601	0.8
120.01939	6.4
120.03445	3.0
121.01678	2.9
121.03152	3.9
122.02235	1.3
122.03900	1.3
122.53689	1.1
123.02948	9.8
123.04423	11.8
123.08073	1.5
123.53046	1.6
124.02470	1.2
124.03737	1.7
124.04789	1.7
125.00005	1.2
125.02448	1.7
125.04492	1.2
125.05917	0.9
125.53203	0.9
126.00728	1.1
126.02538	1.9
126.03387	1.4
127.01585	1.9
127.02418	3.4
127.03246	0.8
127.03926	12.7
127.53200	0.8
128.02315	9.0
128.04012	1.0
128.98593	5.6
129.00337	1.0
129.02910	8.7
129.03976	3.5
129.52969	1.4
130.03687	3.0
130.53743	1.1
131.00180	4.1
131.01900	49.6
132.00859	1.1
132.01944	6.7
132.03448	9.7
132.53604	1.5
133.01668	2.8
133.03470	22.5
134.00471	1.6
134.02261	0.9
134.03563	1.8
134.05009	1.0
134.99658	6.2
135.01346	1.1
135.02963	4.3
136.03690	1.9
136.04604	1.8
137.02934	26.8
137.06012	2.0
137.07903	2.1
137.09575	0.9
138.03433	12.8
138.05498	1.3
138.53546	1.7
139.02408	2.1
139.03259	1.5
139.04198	2.1
140.02339	1.3
140.04688	3.2
140.53712	0.9
141.03989	4.3
141.05467	0.9
141.06984	2.2
142.01106	1.1
142.03503	14.4
142.07823	2.1
142.96532	1.9
143.00140	2.1
143.01894	40.5
143.05537	1.4
143.54213	1.2
144.01924	4.3
144.03430	5.3
144.99789	0.9
145.01657	2.5
145.03455	32.5
145.99939	1.2
146.03561	3.9
146.53809	1.1
146.99654	7.0
147.01395	6.6
147.03976	3.9
147.05048	5.0
148.03818	1.0
148.04919	1.0
149.01224	3.2
149.02931	12.6
149.54225	1.1
150.03166	2.2
151.02571	0.9
151.04555	4.0
152.54738	0.9
153.03989	2.5
153.06970	4.9
154.03566	1.8
155.00085	1.6
155.01897	35.4
155.07047	3.6
155.08574	6.6
156.01884	4.4
157.01697	2.3
157.03484	17.0
158.03578	2.2
158.99681	2.6
159.01404	2.2
159.05017	7.0
160.04539	13.2
160.97600	4.5
161.01295	4.6
161.02954	61.3
162.03030	7.3
162.04378	1.0
162.99162	2.0
163.02728	2.7
163.04529	6.0
165.00726	2.2
165.05269	2.0
165.09053	1.5
167.01924	9.7
168.02071	1.4
168.05049	1.6
168.09331	8.3
169.01839	1.3
169.03497	3.9
171.01395	1.7
171.05061	3.3
173.01337	4.4
173.02956	62.9
174.03110	9.0
174.99210	0.9
175.02975	4.5
175.04445	5.3
177.00714	2.4
177.02464	1.3
177.06052	5.3
178.02617	2.4
178.05547	4.0
178.98628	1.9
179.02180	2.6
179.04036	5.8
181.03476	1.9
182.99675	2.0
183.01346	1.1
183.03099	1.5
183.05014	1.7
183.06546	2.8
183.08046	1.6
183.11690	11.6
184.04541	5.1
184.05934	0.9
184.07500	1.6
185.02972	34.5
186.03099	6.2
187.02791	2.6
187.04547	6.4
188.04753	1.2
189.00771	1.1
189.02519	1.6
191.02234	2.1
191.04004	5.8
193.03883	2.0
193.05533	0.9
195.07153	4.7
196.04561	4.1
197.02980	5.9
199.04524	3.1
200.04817	1.1
201.00720	6.7
201.02449	1.8
201.04207	1.6
203.03999	18.1
204.04204	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	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03951	0.9
55.05509	7.8
57.03428	1.5
57.07058	2.9
58.02960	34.8
67.05505	25.6
67.05870	1.1
69.07067	68.0
70.06575	3.3
70.07414	1.2
71.48542	0.9
71.95139	0.8
74.06075	0.8
79.05503	6.7
81.07058	25.0
83.04979	1.5
83.08610	8.2
84.04485	0.8
84.07697	0.8
84.08146	10.1
86.06052	1.4
91.05476	5.7
93.07044	11.5
95.04982	3.1
95.08611	6.8
97.06522	4.4
98.06038	2.6
98.09704	3.0
98.97552	0.7
98.98511	0.8
100.07607	7.4
105.06381	1.1
105.07031	15.3
105.07736	0.5
107.08595	19.6
107.71893	0.7
108.08921	1.0
109.06509	2.5
109.10153	52.2
110.09732	0.7
110.10442	0.9
112.07605	3.2
114.09164	14.9
115.05432	0.7
116.98669	0.8
119.08578	1.8
121.10146	1.5
121.27496	0.6
123.04446	0.9
123.11709	7.5
124.11254	0.8
126.08298	1.2
126.09149	13.6
126.12794	1.4
128.06215	1.8
128.10686	0.7
129.07031	0.8
133.10129	29.7
134.10439	1.2
135.11687	21.5
137.13258	1.1
138.12779	24.2
139.13101	0.9
140.10684	1.3
140.14302	1.4
141.06953	3.0
142.07790	3.1
143.08577	0.7
147.11699	6.0
151.11189	10.0
152.06256	0.9
152.11327	1.0
153.07001	12.9
153.12753	13.2
154.07709	1.5
154.15916	1.3
155.08543	14.1
164.14337	2.7
165.07014	1.0
165.12732	2.9
166.07614	0.7
167.08556	4.1
168.09348	25.7
182.15401	100.0
183.11682	24.2
183.15688	3.2
183.72073	0.6
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
50.28910	0.6
51.64705	0.6
53.03927	1.6
54.80087	0.6
55.01863	1.1
55.05499	2.9
56.96569	0.7
57.07077	22.8
59.04982	2.9
65.03924	0.9
67.05485	2.5
69.03404	1.2
69.07062	4.5
69.29942	1.3
69.30347	7.9
74.59040	0.7
79.05492	9.6
81.03410	6.5
81.07058	5.2
83.04979	46.0
85.06536	1.4
91.05478	4.3
93.07048	9.2
95.04964	15.1
95.08609	1.0
96.08085	0.7
97.06533	23.0
98.97583	5.4
103.05433	0.8
105.07028	5.5
107.04926	2.8
107.08590	11.4
108.08884	0.9
111.04462	1.2
116.98623	6.8
117.07004	2.6
119.08575	2.6
121.06480	3.8
121.10146	12.5
123.08092	1.0
125.05990	62.4
125.09599	1.0
126.06310	1.7
130.07762	1.3
134.99646	6.5
135.04405	1.2
135.08063	1.8
135.11682	6.2
141.06862	1.0
145.10114	10.4
153.00641	0.9
153.05594	0.8
153.06842	1.0
158.01260	2.0
163.03912	2.3
163.11180	100.0
164.11537	2.3
165.06987	6.0
166.07776	6.2
170.18504	0.8
181.04965	3.1
181.06473	1.3
181.08647	1.4
181.10159	7.6
181.12234	29.0
182.05777	1.3
182.12572	1.2
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	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03929	3.2
55.01859	3.4
55.05490	3.4
56.96552	2.5
57.03413	2.7
57.07071	22.9
59.04978	2.4
62.80889	0.9
65.03931	3.8
67.05503	4.7
67.90611	0.8
69.03403	2.2
69.07064	4.5
70.90104	0.8
70.90418	1.5
71.04983	1.4
75.04466	1.0
77.03915	0.9
78.04680	1.2
79.05489	13.5
81.03410	7.7
81.06709	0.6
81.07057	7.0
83.04975	49.6
83.08598	1.3
85.02885	1.6
85.06525	2.7
89.03873	2.5
91.05473	16.2
93.03385	2.0
93.07037	21.4
95.04962	25.0
95.08576	3.3
97.02859	1.1
97.05893	1.8
97.06522	28.9
98.97572	13.2
103.05459	9.7
105.04475	1.0
105.07017	6.7
106.04150	2.5
107.04960	5.4
107.08594	16.1
108.08899	0.8
109.06515	2.3
110.03632	0.8
111.04420	1.7
111.08018	1.2
116.98624	11.5
117.03334	2.8
117.06979	3.3
119.08547	5.0
121.06492	22.9
121.10127	18.1
122.07130	0.9
123.04402	0.8
123.05478	1.1
123.08062	2.5
123.11692	1.0
125.05984	69.9
126.06303	1.4
130.07771	2.2
134.03590	0.9
134.99638	5.4
135.04404	10.5
135.08041	3.5
135.11685	7.7
136.07544	2.1
137.05965	1.9
137.09596	1.6
139.03889	1.1
139.07498	1.6
140.04675	3.4
140.08264	0.8
143.08484	1.2
145.02831	3.3
145.10112	12.7
149.05971	11.1
151.03850	0.9
153.00674	1.5
153.05434	3.5
153.06898	0.9
153.09067	1.6
158.01190	1.1
163.03908	16.2
163.07582	1.9
163.11171	100.0
164.07022	0.9
164.11546	4.0
165.06982	2.2
166.06340	1.4
166.07744	4.7
171.06436	1.2
181.04938	8.3
181.06453	1.6
181.08813	7.7
181.10217	3.0
181.12213	30.2
182.01044	1.0
183.74622	0.9
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
53.03938	2.1
55.01876	1.9
55.05502	3.5
56.46064	0.7
56.96558	1.1
57.07073	25.2
59.04992	3.0
65.06715	0.7
67.05510	1.0
69.03417	2.5
69.07062	3.6
69.61993	2.6
69.62418	3.7
71.04977	1.1
79.05484	11.4
81.03423	7.2
81.07065	4.7
83.04977	52.8
91.05480	4.5
92.57427	0.7
93.07038	11.3
94.07349	0.7
95.04964	17.8
95.08610	1.5
97.05898	1.5
97.06527	27.8
98.57865	0.8
98.97565	3.9
105.07014	7.1
105.24847	0.7
107.04943	3.2
107.08588	12.2
109.06538	1.1
111.04409	1.3
113.13168	0.7
116.98637	4.4
117.07025	2.5
119.08565	4.0
121.06489	4.3
121.10139	14.3
123.08111	1.0
124.07571	0.8
125.05989	62.4
126.06303	1.5
130.07761	2.4
134.99680	5.0
135.04410	2.9
135.08055	1.5
135.11691	6.6
139.03883	1.4
145.10127	12.1
153.00697	0.9
153.05473	0.9
153.07033	2.0
158.01277	1.7
163.03876	3.4
163.11176	100.0
164.11536	3.7
165.06982	6.5
166.07777	9.1
167.08539	1.5
169.64639	0.9
181.04938	4.0
181.06374	0.9
181.08633	1.7
181.10143	7.3
181.12236	29.3
182.05730	1.9
182.12617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.39605	0.6
53.03950	0.7
55.01863	1.3
55.05493	2.5
56.22552	0.6
56.96549	1.0
57.03430	0.7
57.07059	1.6
59.04999	3.3
67.05480	3.0
67.30045	0.5
69.03426	2.1
69.07062	3.5
70.58265	1.8
79.05488	7.4
81.07051	8.0
83.04982	0.8
83.08596	1.2
89.03890	1.2
91.05485	4.4
93.07043	18.8
94.07349	0.6
95.04963	1.7
95.08605	16.4
97.06541	2.7
98.97584	4.8
99.38102	0.5
102.97311	0.5
105.07038	3.6
107.04936	1.2
107.08591	32.8
108.08928	0.7
109.06496	0.9
109.10142	2.2
111.04436	1.1
111.08045	0.8
116.98622	4.0
117.03345	1.3
117.07007	1.0
119.08581	4.7
121.06513	5.5
121.10133	18.0
121.53291	0.6
122.10544	0.7
123.08064	3.0
125.05960	3.9
130.07759	0.9
134.99655	2.5
135.04404	2.4
135.08072	1.1
135.11688	41.7
136.11992	1.6
137.13240	1.6
137.75543	0.6
139.07535	9.6
145.02835	1.3
145.10117	12.5
153.12723	1.5
163.03897	4.6
163.11177	28.3
164.11519	0.9
181.04980	1.2
181.12225	100.0
182.12543	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05497	1.6
57.07069	18.2
59.04982	2.1
60.61781	0.9
67.05499	2.1
69.07052	2.8
69.44706	10.2
70.06590	1.5
79.05486	7.1
81.03407	5.2
81.07027	3.7
83.04975	40.5
84.05270	0.9
85.06519	1.3
91.05456	2.9
93.07037	7.4
95.04955	13.5
95.08582	1.3
97.06520	19.0
98.97572	1.3
99.05569	2.5
105.07019	5.4
105.18709	0.8
105.53259	0.9
107.04915	2.5
107.08604	9.8
116.98594	2.6
117.07042	0.9
119.08571	1.6
121.06444	1.9
121.10138	12.7
122.07140	1.1
123.08032	1.5
125.05982	62.8
126.06310	1.2
130.07764	1.8
134.99644	2.9
135.07993	0.9
135.11690	6.0
138.10217	1.0
145.10107	12.0
148.08815	1.1
153.05418	1.2
163.11168	100.0
164.11569	3.1
166.07806	1.3
181.10518	1.9
181.12210	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03928	1.4
55.01861	2.4
55.05496	3.4
56.96537	0.8
57.07074	22.8
59.04996	1.3
62.87778	0.6
65.03916	0.9
67.05492	2.3
69.03418	1.6
69.07054	4.6
71.27238	1.4
79.05052	0.9
79.05489	11.1
79.64536	0.7
81.03411	6.7
81.07056	6.2
83.04979	52.2
84.12558	0.6
85.06489	0.8
91.05476	4.8
92.05801	0.6
93.07045	10.4
95.04969	18.4
95.08647	1.0
97.06528	27.4
98.97561	2.1
103.05460	0.9
105.07031	6.6
107.04941	2.8
107.08582	11.5
109.06509	1.1
109.10155	0.9
111.04410	1.4
111.08038	0.9
113.50306	0.7
116.98608	3.7
117.07012	2.6
119.08569	4.4
121.06518	3.9
121.10140	14.6
123.08057	1.0
125.05988	67.7
130.07790	2.1
133.10107	0.9
134.99680	4.3
135.04411	1.7
135.08076	1.3
135.11696	8.5
137.09549	0.9
137.89871	0.7
139.03911	1.1
145.02867	0.8
145.10115	12.0
148.08743	0.7
149.05983	0.9
153.00648	0.8
153.05511	0.7
153.06966	0.7
158.01297	1.4
163.03847	3.4
163.11177	100.0
164.11575	3.3
165.06956	4.1
166.07800	5.6
181.04950	4.1
181.06514	1.9
181.08650	1.2
181.10147	6.7
181.12234	27.6
181.15715	0.8
182.05791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02361	1.3
53.03944	11.1
53.58766	0.8
55.01869	9.0
55.05509	4.4
56.96578	4.1
57.03411	2.5
57.07069	1.9
62.08147	0.7
65.03943	15.4
67.05499	9.1
69.03413	1.6
69.07052	3.5
71.04984	1.5
71.63435	1.2
71.63805	1.1
75.04469	7.1
77.03918	2.5
78.04697	5.3
79.05064	1.4
79.05492	16.5
81.03398	3.5
81.07055	6.8
82.04206	1.4
83.04979	7.2
83.08636	1.2
85.02902	2.6
89.03918	9.2
89.06010	1.5
91.05479	69.8
92.05812	1.4
93.03407	11.7
93.07041	50.8
95.04964	33.8
95.08604	8.4
97.02881	1.1
97.06519	8.9
98.97585	21.7
103.05462	38.9
105.03391	1.2
105.04520	6.7
105.07036	4.4
106.04175	18.0
107.04961	10.5
107.08592	11.0
108.05742	1.8
109.06527	4.8
109.10176	1.2
110.03648	2.6
110.07281	1.6
111.04452	4.7
111.08092	2.8
116.98618	27.4
117.03389	8.1
117.07021	2.5
119.04952	3.2
119.08569	2.7
120.05707	2.8
121.02912	1.4
121.06502	100.0
121.10132	7.3
122.06752	1.1
122.07330	1.4
123.04440	3.4
123.08047	3.0
124.05197	2.7
125.06005	11.4
131.05067	1.0
131.06041	3.1
133.10092	1.1
134.03632	9.1
134.99655	18.4
135.04413	18.3
135.08081	2.5
135.11703	7.3
136.07521	0.8
137.05975	6.9
138.03113	1.2
138.06764	5.4
139.03899	3.1
139.07538	4.0
140.00189	1.7
145.02832	8.9
145.10109	4.5
148.05222	5.7
149.05980	68.0
150.06395	1.1
151.03908	2.4
151.07518	2.2
152.08316	1.6
153.00706	3.9
153.05441	2.3
153.07066	1.6
153.09096	14.5
153.12758	1.1
158.01265	3.4
163.03903	43.4
163.07541	6.0
163.11163	12.2
164.04242	1.6
165.07025	3.8
166.02641	1.0
166.06204	3.8
166.07703	5.4
171.06578	1.9
181.04973	18.0
181.06506	2.0
181.08598	33.4
181.10095	5.3
181.12180	11.5
181.15764	1.0
184.03639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02372	0.5
53.03930	1.3
55.01869	1.2
55.05495	1.2
56.96564	4.6
57.03426	0.8
57.07075	4.3
59.04978	0.6
65.03928	3.2
66.04710	0.6
67.05502	4.6
69.03424	1.2
69.07059	1.7
71.01326	0.5
71.04972	1.1
71.64377	0.7
71.95254	1.0
77.03894	0.6
78.04704	3.4
79.01842	0.3
79.05490	6.3
80.06259	0.8
81.03413	3.1
81.07059	3.0
83.04980	10.0
83.08598	0.7
85.06542	0.5
88.98990	0.3
89.03929	1.6
90.04694	1.5
91.05475	16.0
92.06267	0.8
93.03379	0.8
93.07039	6.1
95.04967	8.3
95.08588	1.4
97.02856	0.4
97.06528	6.1
98.97580	17.9
103.05461	1.1
105.03384	1.5
105.07018	1.7
106.04169	1.9
107.04956	6.3
107.08581	4.7
108.05740	2.8
109.06522	4.4
109.10182	0.4
110.07282	0.5
111.04431	1.4
116.98613	22.7
117.03419	0.5
117.07024	0.6
118.04181	0.8
119.04939	1.2
119.08578	1.4
120.05716	1.1
121.02856	2.8
121.06493	4.6
121.10133	5.1
122.03651	0.9
122.07294	0.5
123.04431	5.4
123.08075	2.9
124.07579	0.4
125.02374	0.5
125.05987	12.5
130.07787	0.5
134.99652	30.6
135.04399	6.5
135.08054	1.5
135.11690	3.1
136.05199	13.5
136.06235	0.5
136.07516	0.4
137.05981	13.9
138.03133	0.7
138.06749	5.5
139.03912	1.3
139.07532	1.4
140.00195	2.7
141.06952	0.8
145.02835	0.9
145.10115	2.6
148.05183	41.5
149.02328	0.4
149.05859	1.5
151.03893	10.2
151.07532	3.9
152.06224	0.5
153.00717	6.5
153.05435	1.0
153.06972	1.2
153.09044	0.7
158.01251	6.0
163.03905	4.7
163.07529	0.8
163.11180	17.5
165.05481	5.1
165.07002	8.2
166.06256	36.8
166.07758	8.5
166.57732	0.3
166.98544	0.5
167.03406	0.7
167.06615	0.9
176.02306	1.0
181.05022	4.0
181.08594	100.0
181.10059	7.4
181.12007	8.2
182.04324	0.6
182.09001	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	181.0857
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02374	1.2
53.03944	10.5
55.01871	9.6
55.05506	1.9
57.03431	1.7
57.07056	1.0
65.03937	12.1
67.05505	4.5
69.03432	1.4
69.07072	1.8
70.59534	1.7
70.59929	1.8
71.05001	0.8
75.04473	6.8
77.03923	3.2
78.04702	5.0
79.05486	10.1
81.03416	2.4
81.07058	4.5
82.04200	1.5
83.04969	2.6
83.08598	0.9
85.02895	3.3
85.06572	0.8
89.03919	4.7
91.05476	60.6
92.05801	0.9
93.03410	9.5
93.07043	40.9
95.04967	27.2
95.08618	3.0
97.02866	1.6
97.06514	6.2
98.97578	14.2
103.05464	42.1
104.05754	1.1
105.04492	4.6
105.07022	3.8
106.04176	15.8
107.04955	9.8
107.08598	4.6
108.05713	1.0
109.06541	4.0
110.03649	2.2
110.07272	1.7
111.04451	3.5
111.08084	1.2
116.98621	12.0
117.03366	4.2
117.06998	0.9
119.04945	4.5
120.05682	1.2
121.06499	100.0
121.10155	7.3
122.06853	1.0
123.04423	2.7
123.08050	2.8
124.05227	1.6
125.02341	6.5
125.05989	4.7
125.09679	0.8
126.06720	0.9
131.04926	2.7
131.06055	2.6
133.06488	1.0
134.03615	7.4
134.99657	10.6
135.04408	11.1
135.08009	4.9
135.11691	2.3
137.02330	0.9
137.05952	9.6
138.03165	1.8
138.06721	3.5
139.03906	2.2
139.07518	3.4
140.04672	24.6
142.02583	0.8
145.02811	4.2
145.10097	1.7
148.05202	4.3
149.05980	65.9
150.06284	0.9
151.03912	1.8
151.07532	1.9
152.08290	1.2
153.00639	1.7
153.05461	11.8
153.06668	1.3
153.07126	0.8
153.09094	11.5
158.01256	2.2
163.03893	21.1
163.07518	5.1
163.11096	4.6
165.06926	1.0
166.06316	4.0
166.07571	0.8
167.07040	6.9
171.06520	1.9
181.04942	14.8
181.06538	3.0
181.08588	26.2
181.10179	2.7
181.12006	3.8
182.05536	0.9
182.09309	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
51.02360	0.8
53.00285	0.6
53.03939	3.5
55.01871	12.7
55.05500	2.0
56.96558	1.5
57.03433	1.9
57.07082	0.8
59.06102	0.8
60.81318	0.9
65.03928	3.4
67.05490	2.4
69.03430	0.7
69.07065	1.7
70.13687	3.2
75.00152	0.6
77.03926	1.8
79.05490	9.2
80.56682	0.7
81.07061	4.3
82.04179	0.9
83.04975	2.0
85.02896	1.3
89.03905	3.3
91.05482	23.5
92.05806	1.2
93.03391	1.4
93.07043	26.1
95.04970	9.5
95.08617	2.0
97.02895	3.1
97.06499	2.2
97.07636	0.8
98.97581	10.1
103.05463	33.5
105.04517	1.9
105.07018	7.4
107.04951	12.2
107.08582	6.5
109.02869	1.4
109.06498	1.4
110.03671	3.9
111.04435	2.5
111.08089	0.9
116.98609	9.3
117.03366	2.7
117.07021	1.2
119.04937	3.4
119.08574	1.6
120.05721	1.2
121.02831	1.3
121.06511	63.0
121.10123	8.2
122.06949	1.1
123.04418	1.7
123.08064	0.9
125.02351	25.4
125.05972	3.1
127.07583	1.2
131.04933	5.5
134.99675	6.1
135.04424	7.5
135.08060	9.4
135.11699	2.9
136.07603	0.8
136.08606	1.0
137.06001	5.5
138.03105	4.2
139.03955	1.3
140.04680	100.0
141.05046	2.0
145.02826	4.2
145.10103	4.0
147.07411	0.7
148.04893	1.3
149.05981	40.6
151.03876	1.1
151.07555	1.1
151.11174	0.9
153.05464	40.4
153.09042	1.4
154.05893	1.2
158.01149	0.9
163.03897	15.6
163.07588	4.4
163.11166	9.4
165.06992	2.3
166.06163	2.8
166.07785	2.9
181.05005	7.2
181.06392	1.0
181.06677	1.1
181.08597	22.2
181.10080	1.7
181.12126	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	181.0858
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02375	0.3
53.03931	1.2
55.01857	0.5
55.05502	0.9
56.96565	2.1
57.07071	2.8
58.74377	0.3
59.04967	0.5
63.99024	0.3
64.03169	0.4
65.03943	2.2
66.04712	0.6
67.05492	1.8
68.13652	0.3
69.03446	0.4
69.07059	0.7
70.94081	0.8
70.94449	0.7
71.95255	0.4
77.03924	0.4
78.04710	3.0
79.05489	4.6
80.06264	0.8
81.03409	2.1
81.07040	1.3
83.04978	5.0
83.78799	0.3
89.03893	1.9
90.04690	1.2
91.05476	13.1
92.02606	0.3
92.06246	0.9
93.03385	1.1
93.07055	3.6
94.04154	0.4
95.04965	6.3
95.08565	0.8
97.06525	2.6
98.97578	11.4
103.05473	0.5
105.03392	1.2
105.07040	1.0
106.04160	2.5
107.04958	5.4
107.08577	1.6
108.05756	3.3
109.06529	3.1
109.10131	0.5
111.04413	0.7
116.98619	10.9
117.06982	0.6
118.04163	0.8
119.04938	0.7
119.06058	0.7
119.08598	0.4
120.05807	0.7
121.02880	2.3
121.06498	3.8
121.10133	2.7
122.03693	0.7
122.07354	0.4
123.04434	4.0
123.08077	2.0
125.02364	0.5
125.05980	6.8
130.07793	0.5
134.03616	0.4
134.99660	9.9
135.04422	5.4
135.08034	0.5
135.11665	1.3
136.05191	14.1
137.05977	14.5
138.03114	0.7
138.06760	5.5
139.03918	0.5
139.07501	1.4
140.00185	1.4
141.06906	0.5
145.10114	1.1
145.32266	0.3
148.05186	42.7
149.05865	1.4
151.03899	10.6
151.05110	0.6
151.07553	4.0
151.61632	0.3
153.00716	1.8
153.05489	0.6
153.06897	0.7
153.09137	0.7
158.01228	2.1
163.03905	1.9
163.11179	10.4
165.05469	4.4
165.06999	3.9
165.08328	0.5
166.06268	35.5
166.07726	4.3
167.03366	1.2
167.06578	0.9
176.02353	0.4
181.05322	2.7
181.08591	100.0
181.09975	4.3
181.11954	5.0
182.08972	2.2
182.96776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
50.01590	0.8
51.02353	0.7
53.03948	3.4
54.04713	0.6
55.01868	4.3
55.05493	2.1
56.05002	0.5
56.96568	2.5
57.03414	1.8
57.07067	2.5
59.04993	0.5
59.20385	0.5
65.03941	33.1
66.04276	0.6
67.05505	12.6
67.58337	0.5
68.02628	0.5
68.05007	0.8
68.99754	0.7
69.03431	5.9
69.07050	2.2
69.91320	2.4
71.04984	1.2
71.95234	0.6
75.04453	0.7
77.03915	1.5
79.05077	0.6
79.05495	9.6
80.05013	0.5
81.03391	2.2
81.07045	3.5
81.19871	0.5
82.00533	1.2
82.03729	1.0
82.04196	15.3
83.04976	4.9
83.06092	0.9
84.08109	0.5
85.02905	18.2
85.06495	0.7
87.23167	0.5
89.03915	13.1
91.05485	9.0
93.03403	4.6
93.07045	11.8
95.04969	10.7
95.06049	1.6
95.08582	2.4
97.02860	1.9
97.06534	10.2
97.07597	0.8
98.07161	0.7
98.20702	0.5
98.97582	11.9
99.05556	0.7
101.02362	0.6
101.06030	0.5
103.05451	3.7
105.04496	1.0
105.07021	2.1
107.04969	6.3
107.08598	7.7
108.02100	9.0
108.04492	0.6
109.06484	1.9
109.07638	0.6
109.10140	0.9
110.03658	13.3
110.07136	0.5
111.02748	0.6
111.03725	0.6
111.04449	10.0
111.08039	1.3
112.27647	0.5
116.97824	0.8
116.98618	14.5
117.03378	15.0
117.06999	1.6
118.43858	0.5
119.04909	1.7
119.08559	1.7
120.05707	0.8
121.02853	1.6
121.04030	0.8
121.06506	10.0
121.09307	0.9
121.10137	11.2
121.68628	0.5
122.07122	1.0
123.00784	5.1
123.04385	1.1
123.08045	1.8
125.02388	0.7
125.05987	11.8
125.09597	0.9
130.07701	0.7
134.99654	12.6
135.04416	30.3
135.08012	3.2
135.11716	3.9
136.04840	0.7
136.07664	0.6
136.08696	1.0
137.02303	1.9
137.05943	2.3
137.09610	1.2
138.03130	6.9
139.03922	2.7
139.07553	0.9
139.09769	0.8
139.11168	1.4
140.00230	1.1
140.08144	1.0
141.01825	0.5
142.02626	6.4
145.02847	16.5
145.03983	0.9
145.10150	3.3
149.02333	1.0
149.05971	5.3
151.03899	0.8
153.00699	1.9
153.01808	0.5
153.05470	2.6
153.07066	0.5
153.09167	1.0
158.01241	1.2
163.03905	72.4
163.07544	2.3
163.09813	1.0
163.11172	9.7
164.04268	2.1
164.07028	0.7
165.06958	2.0
166.02628	1.2
166.06430	0.9
166.07779	3.5
167.03465	0.5
170.02118	0.9
171.06534	16.5
177.00667	0.7
181.04965	100.0
181.08456	8.2
181.10193	3.9
181.12135	5.3
182.05322	2.0
186.05618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.90295	1.2
53.03942	3.7
55.01868	15.0
55.05262	1.9
55.05511	30.7
56.96562	1.8
57.03437	15.3
57.07071	8.0
59.05001	3.1
65.03954	6.7
67.05504	65.1
69.03434	7.4
69.07066	40.8
70.40451	1.5
70.99184	1.8
70.99541	2.4
71.04987	10.1
71.08592	1.9
73.25511	1.3
74.39539	1.6
79.05492	41.9
80.05016	1.3
80.05881	1.5
81.03436	8.3
81.07053	74.1
82.07366	1.5
83.04962	10.2
83.08617	6.9
85.06537	2.8
91.05480	47.0
93.07051	31.3
95.04967	26.6
95.08605	100.0
96.08927	2.5
97.06525	6.0
97.10155	1.4
98.98461	2.2
99.08065	1.4
103.05444	4.0
105.03391	2.9
105.07030	49.0
105.37292	1.4
106.06592	1.7
106.07328	1.6
107.04935	4.4
107.08588	35.5
108.04478	4.8
108.05714	1.8
109.06507	22.6
109.10152	47.7
110.68026	1.3
111.08073	8.3
115.05433	2.0
117.06999	4.5
119.04948	24.9
119.08572	34.0
121.06478	5.9
121.10126	14.1
122.24597	1.5
123.04427	17.2
123.08074	37.6
123.11684	7.3
128.06187	1.4
131.04817	1.5
131.08556	2.0
131.46478	1.4
133.02832	6.5
133.06493	12.0
133.10130	25.4
135.04437	3.4
135.08069	1.9
135.11723	9.8
136.05197	3.1
137.05977	4.3
137.09605	23.8
137.13264	2.6
138.05496	1.7
146.03542	3.1
147.04419	34.0
151.03905	6.6
151.07545	6.9
151.11192	4.5
151.14825	10.1
152.07005	1.8
155.49698	1.5
161.05977	17.3
161.09627	5.9
161.13261	24.0
162.09337	1.6
164.04060	2.2
165.07018	2.6
178.07892	2.3
179.03403	45.5
179.06918	20.4
179.08678	10.9
179.10596	13.4
179.14313	62.4
180.06543	6.3
180.10194	2.3
180.14674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.75295	1.0
53.03946	5.6
54.27570	0.8
55.01874	11.7
55.05509	31.7
55.55799	0.9
57.03426	2.9
57.07055	2.0
65.03938	4.7
67.05502	100.0
68.05834	1.3
69.03406	3.0
69.07064	15.6
69.87638	5.6
71.04968	3.4
71.99035	0.8
73.06578	1.0
79.05491	69.0
80.05834	0.9
80.06264	1.1
81.02969	1.6
81.03416	20.2
81.07053	97.5
82.07372	2.0
83.04977	36.4
83.08617	14.2
85.06551	3.1
91.05478	67.6
92.05810	1.3
93.07041	47.4
95.04964	14.8
95.08602	79.3
96.00811	1.0
97.06526	37.5
97.10147	3.0
98.20758	1.2
99.08084	3.1
103.05463	1.2
105.03407	1.5
105.04431	1.0
105.07026	34.3
107.04958	1.9
107.08598	10.2
108.04476	1.2
109.06515	8.4
109.10146	13.7
111.08085	8.9
113.09642	7.1
117.07002	2.5
118.04130	1.0
119.04932	10.2
119.08582	34.1
121.06520	1.7
121.10133	7.0
123.04417	5.3
123.08099	5.3
123.11694	2.0
131.08563	1.9
133.02864	2.8
133.06505	4.3
133.10117	24.8
135.11674	5.8
136.05145	2.1
136.28494	0.9
137.02283	1.0
137.09595	2.9
147.04417	12.3
149.05893	1.0
151.03917	1.3
151.07530	6.8
161.05959	6.3
161.09602	2.2
161.13251	16.8
179.03401	12.1
179.07201	6.5
179.08777	2.9
179.10724	6.1
179.14308	51.7
180.06522	1.3
180.14647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.26082	0.7
53.03945	6.1
55.01873	11.5
55.05509	29.7
55.92098	0.6
57.03412	2.7
57.07059	2.0
57.85196	0.7
58.24463	0.8
59.04999	0.9
65.03930	5.1
67.05502	100.0
68.05828	2.2
69.03423	2.1
69.06709	1.3
69.07063	20.5
70.06314	0.8
71.04981	1.3
72.59391	0.7
73.10522	0.7
79.05489	71.6
80.05820	0.8
81.03414	26.5
81.07054	95.2
82.07366	1.5
83.04978	34.3
83.08615	15.4
84.57439	0.7
85.06535	3.7
91.05477	59.7
92.05791	1.8
93.07041	44.0
94.53157	0.7
95.04964	13.6
95.08604	70.7
96.08945	1.9
97.06526	35.3
97.10163	5.3
98.06859	0.7
99.08086	3.4
103.05426	1.6
105.04525	1.0
105.07028	31.1
106.07386	1.0
107.08595	13.8
109.06525	7.5
109.10158	12.8
109.52771	0.7
111.04460	0.8
111.08074	8.9
113.09644	6.5
117.06990	2.2
119.04952	5.8
119.08577	31.7
119.12820	0.8
120.08879	1.0
121.10133	7.6
123.04417	3.9
123.08069	5.1
123.11710	1.1
131.08582	1.6
133.02856	1.9
133.06473	2.8
133.10127	23.9
135.11670	6.8
136.02130	0.8
137.09625	2.4
147.04411	7.7
150.48262	0.8
151.03926	1.2
151.07530	1.2
159.11708	1.3
161.05966	4.1
161.09532	0.9
161.13240	16.2
179.03391	10.3
179.06877	2.9
179.08531	1.6
179.10693	2.8
179.14304	54.0
180.06467	1.3
180.14594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.38731	1.3
53.03925	4.4
55.01873	10.4
55.05296	1.5
55.05509	16.2
57.03424	4.4
57.07077	10.8
59.04978	4.3
65.03927	4.4
67.05159	2.4
67.05500	37.8
68.05009	2.3
69.03429	8.4
69.07061	19.3
69.64111	11.3
71.04987	3.7
71.08609	5.9
79.05487	17.7
80.05026	1.7
81.03416	2.5
81.04522	1.5
81.07057	30.2
83.04979	40.3
83.06069	3.2
83.08629	7.9
85.06528	6.2
89.03886	1.7
91.05473	37.2
93.07050	25.3
94.06551	3.2
95.04962	19.5
95.06075	6.1
95.08603	100.0
96.08920	3.0
96.75723	1.7
97.03976	1.4
97.06543	1.8
97.07617	1.8
97.10131	2.4
103.05470	4.9
105.03368	3.3
105.07030	44.1
107.04939	4.0
107.08588	27.5
108.04478	2.2
108.05725	4.2
108.08111	1.7
109.06518	26.6
109.10153	46.1
111.08061	3.3
115.05456	4.4
117.03391	1.8
117.06992	3.5
119.04941	23.2
119.08569	28.3
120.05561	2.8
121.06481	6.3
121.07671	1.4
121.08810	1.9
121.10145	30.6
123.04449	12.0
123.08064	51.0
123.10921	1.5
123.11655	7.9
124.08727	2.3
124.28564	1.4
131.08495	1.9
133.02818	12.3
133.06482	32.3
133.10123	25.4
134.06036	2.6
134.07030	1.9
135.04427	4.7
135.11685	19.7
136.05186	4.3
136.08716	3.1
136.11163	8.2
137.05972	12.2
137.08257	8.0
137.09589	19.0
137.13245	6.2
146.03459	2.1
147.03381	3.3
147.04404	46.9
147.09116	1.5
148.04681	1.8
151.03900	6.4
151.07553	9.7
151.11174	2.8
151.14810	37.0
152.07045	1.8
152.08243	1.6
161.05977	39.7
161.09579	7.1
161.10776	3.1
161.13240	22.2
162.11501	6.2
162.12730	2.9
179.03401	37.2
179.07097	27.5
179.09114	3.4
179.10420	13.8
179.11795	6.2
179.14291	89.2
180.14671	2.1
186.02037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.61332	0.8
53.03930	3.9
55.01870	8.0
55.05265	1.4
55.05509	19.5
56.96568	1.4
57.03440	6.5
57.07071	5.6
59.04973	1.4
65.03939	4.7
67.05502	89.4
69.03423	9.3
69.06728	1.2
69.07066	15.0
70.15746	5.2
71.04979	7.5
71.53804	1.0
77.03902	1.5
79.05489	25.7
81.03398	4.4
81.07054	68.3
83.04971	4.9
83.08602	4.0
85.06540	2.2
85.10171	1.6
91.05482	35.9
93.06487	1.6
93.07047	28.2
94.07331	1.2
94.71502	1.0
95.04968	23.8
95.08604	100.0
96.08925	2.4
97.06516	2.4
98.21411	1.4
98.98445	1.2
103.05449	3.4
105.03375	1.9
105.07025	26.8
106.06587	1.3
106.07308	1.1
107.04967	4.9
107.08589	15.2
108.04492	2.7
108.05212	1.7
109.06518	15.1
109.10152	46.3
111.08073	2.3
115.05440	1.3
117.06999	3.8
118.04131	1.8
119.04946	14.4
119.07796	1.9
119.08580	24.6
121.06496	3.8
121.10147	9.4
123.04424	9.4
123.08060	19.3
123.11690	2.5
131.08562	1.5
133.02849	4.6
133.06514	5.5
133.10104	12.1
135.08061	1.3
135.11685	6.3
136.05151	2.7
136.08762	1.5
137.05966	5.5
137.09618	18.7
137.13269	1.9
146.03627	1.8
147.04404	18.6
147.08078	1.0
149.05984	1.2
151.03897	3.5
151.07527	9.7
151.11154	3.0
151.14822	10.8
161.05965	8.7
161.09584	6.0
161.13254	9.4
161.14484	1.6
162.26277	1.3
163.07536	1.1
164.04643	1.2
164.08006	2.0
165.07030	1.1
179.03389	23.3
179.06918	11.4
179.08736	4.0
179.10667	10.6
179.14304	52.6
180.06499	2.2
180.14706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02390	0.9
53.03954	3.5
55.01628	0.9
55.01873	17.1
55.05499	2.8
56.71987	0.6
56.96574	0.7
57.03429	1.7
57.07075	1.2
59.04996	1.1
65.03941	5.8
67.05508	13.2
67.49583	0.6
68.05017	0.9
68.99785	3.2
69.03419	2.2
69.07078	1.7
71.63450	1.1
72.04530	1.0
76.02224	1.1
77.03919	1.8
78.04686	1.1
79.05061	1.3
79.05495	17.1
80.02629	0.9
80.06266	1.3
81.03416	2.1
81.07058	12.9
83.04974	1.7
83.06126	0.8
83.83050	0.8
85.02890	0.8
91.05482	57.7
92.05786	1.5
93.03412	1.3
93.07047	10.5
94.04200	1.4
95.04972	21.9
95.06078	1.7
95.08605	15.4
96.04504	0.6
97.02892	0.7
97.06548	0.8
98.98592	0.8
103.05459	9.2
105.03417	2.2
105.07029	62.7
106.07319	1.1
107.04973	3.9
107.08593	6.2
108.04490	1.5
108.05721	3.2
109.02883	3.0
109.06532	4.6
109.07609	0.8
109.10143	3.8
110.03667	5.7
111.04442	3.4
113.67821	0.8
115.05455	3.7
117.03403	1.1
117.07001	1.4
118.04175	3.0
118.46902	0.7
119.04947	53.2
119.08582	9.3
120.05338	1.1
121.02880	3.3
121.03957	1.0
121.06525	5.7
121.10150	3.1
122.07169	0.8
123.04430	100.0
123.08055	17.7
123.08994	1.5
123.11683	3.9
124.04797	2.2
131.04958	0.9
131.08578	2.3
133.02858	7.9
133.06494	14.9
133.10130	35.4
134.06036	0.8
135.04428	2.4
135.11699	1.8
136.05212	8.1
137.05994	8.9
137.08220	4.2
137.09590	2.6
138.06589	0.9
143.08592	1.3
146.03625	4.9
147.04416	63.5
148.04829	0.8
149.05951	1.8
150.06686	0.8
151.03934	8.5
151.07541	46.1
151.11208	2.8
152.07986	1.9
161.02388	1.6
161.05984	20.3
161.07152	3.0
161.09572	5.7
161.13237	4.8
162.05472	1.5
162.09117	1.0
164.04771	3.5
165.05519	1.0
179.03413	44.8
179.07053	77.8
179.10541	9.8
179.14226	5.6
180.03818	2.2
180.07683	0.8
193.63535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.01568	0.8
53.03930	3.0
54.41202	0.6
55.01617	1.0
55.01868	19.4
55.05489	2.3
57.03416	2.0
65.03934	7.0
67.05503	15.0
68.99778	2.8
69.03421	1.3
69.07058	1.8
77.03920	1.2
79.05491	14.0
80.06260	2.0
81.03414	2.5
81.07058	8.6
82.58208	0.7
83.04971	1.7
85.02898	1.1
91.05474	59.7
92.05798	1.5
93.03419	1.3
93.07042	7.7
94.04163	1.8
95.04964	27.6
95.08591	7.5
97.02879	1.1
98.21583	1.5
102.04631	0.8
103.05460	8.8
105.03380	3.1
105.04494	1.8
105.07024	34.8
107.04953	3.7
107.08593	2.4
108.05724	4.9
108.77390	0.7
109.02883	2.8
109.06531	6.4
109.10130	4.7
110.03654	6.0
111.04422	2.6
113.83890	0.8
115.05447	3.0
117.07040	1.1
118.04167	6.1
119.04939	62.0
119.08576	5.3
120.05275	1.1
121.02873	5.1
121.03998	1.2
121.06513	5.8
121.10120	2.3
122.03632	2.7
122.64372	0.8
123.04422	100.0
123.08044	12.2
123.11702	1.0
124.04756	2.7
125.53230	0.8
131.04936	0.8
131.08566	1.1
133.02821	4.1
133.06485	17.9
133.07527	0.8
133.10104	7.6
134.05966	0.8
135.04410	2.7
135.08127	0.9
135.11700	1.8
136.05208	9.0
137.05975	14.3
137.09641	4.3
143.04927	1.0
146.03621	6.1
147.04402	66.2
148.04764	1.9
149.06017	1.7
150.06775	1.5
151.03914	7.3
151.07532	54.1
151.11153	1.6
152.07979	1.1
161.05968	26.5
161.07091	3.0
161.09628	3.4
161.13290	4.0
163.03937	1.2
164.04794	3.7
165.05511	1.0
178.07838	1.1
179.03442	17.4
179.07033	77.2
179.08289	2.7
179.10477	6.8
179.14243	5.1
180.07512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.01588	1.0
53.03938	2.6
55.01871	13.1
55.05503	1.8
57.03436	1.9
65.03938	5.5
67.05502	12.2
68.99786	2.6
69.03429	1.6
69.07059	1.1
71.64491	1.5
77.03934	1.4
79.05494	13.6
80.02625	1.1
80.06277	1.1
81.03422	2.0
81.07057	5.7
83.04986	1.1
90.83833	0.8
91.05480	44.0
92.05831	0.9
93.03404	1.5
93.07048	6.4
94.04191	2.2
95.04972	22.6
95.05955	0.9
95.08593	8.5
97.06535	0.9
98.98461	1.1
103.05464	8.0
105.03384	2.3
105.04606	0.8
105.07032	29.5
106.07367	0.8
107.04969	3.5
107.08589	2.4
107.41943	0.8
108.04508	1.0
108.05740	4.8
109.02898	3.3
109.06525	3.8
109.10137	2.1
110.03654	5.0
111.04458	3.3
112.45162	0.8
115.05460	2.7
118.04172	3.9
119.04951	46.2
119.08570	2.7
121.02863	2.9
121.04054	1.2
121.06507	4.5
121.10164	1.4
121.98597	0.8
122.03641	2.3
123.04427	100.0
123.08061	12.0
123.11707	1.8
124.04781	2.4
131.04962	0.8
133.02861	3.3
133.06502	13.8
133.10143	6.4
135.04405	1.9
135.08130	0.8
135.11734	1.0
136.05177	8.4
137.05975	14.4
146.03622	5.3
147.04413	44.0
148.04750	1.0
149.02338	1.2
149.06010	1.4
150.06711	1.3
151.03931	7.3
151.07545	46.5
152.07912	1.4
156.66731	0.9
161.05980	16.4
161.07155	3.2
161.09718	1.0
161.13271	2.2
164.04707	2.5
164.37773	0.7
179.03447	16.6
179.07050	68.0
179.08391	2.6
179.10361	4.5
179.14336	2.2
180.07538	1.7
197.67674	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.39975	0.7
53.03926	2.0
55.01878	7.2
55.05503	1.8
57.03430	1.1
65.03950	4.6
65.04214	1.0
67.05127	0.8
67.05500	12.1
68.05003	1.0
68.99794	3.4
69.03426	2.0
69.07050	1.4
69.40211	4.1
69.40640	2.7
71.04971	1.2
77.03915	1.2
78.04703	1.0
79.05493	11.3
80.02631	0.7
80.06269	1.2
81.03391	2.2
81.07057	6.4
83.04966	1.4
83.06097	0.9
89.03922	1.0
91.05479	34.8
93.03396	1.5
93.07054	7.0
94.04220	0.9
95.04965	21.4
95.06063	1.1
95.08598	8.6
95.34015	0.6
97.06518	0.7
100.33389	0.6
103.05459	6.5
105.03376	2.8
105.04508	1.2
105.07030	26.9
107.04988	3.2
107.08586	4.3
108.05746	3.7
109.02876	2.5
109.06518	3.9
109.10162	2.3
110.03675	5.4
111.04448	1.9
115.05445	2.3
117.07030	0.7
118.04166	1.6
119.04942	26.2
119.08587	6.4
121.02868	3.6
121.03967	1.0
121.06519	3.6
121.10131	3.1
122.03622	0.7
122.07207	0.7
123.04427	100.0
123.08048	11.6
123.11668	1.0
124.04777	2.0
133.02901	2.5
133.06503	9.1
133.10132	11.7
135.04459	1.7
135.11725	1.5
136.05176	6.3
136.08698	0.8
137.05980	9.3
137.08247	2.5
137.09599	1.4
138.06567	0.8
143.08557	1.2
146.03639	1.2
147.04410	27.6
149.05957	2.1
150.06656	1.0
151.03926	7.7
151.07541	51.5
151.11121	1.7
152.08012	1.4
154.84492	0.7
161.05989	7.1
161.07140	3.4
161.09596	5.1
161.13243	3.8
163.03816	0.8
164.04718	1.6
169.05029	1.2
179.03491	14.4
179.07056	73.4
179.08719	2.4
179.10458	7.2
179.14290	3.8
180.07492	1.6
180.10161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
51.02387	0.7
53.00307	0.8
53.03946	1.9
53.60584	0.5
55.01876	3.9
55.63440	0.5
57.03434	2.7
65.03940	8.4
66.04736	1.1
67.05505	4.5
68.99777	0.9
70.85575	0.8
70.85910	0.6
79.05490	7.8
80.06282	3.2
81.03418	0.6
81.07069	2.5
85.02926	0.9
90.04710	1.0
91.05484	100.0
92.05814	2.3
93.03408	1.2
93.07060	4.4
94.04178	2.7
94.76149	0.5
95.04980	5.2
95.08617	1.1
103.05471	4.8
105.03382	1.1
105.04507	0.6
105.06390	0.8
105.07040	10.3
105.30756	0.5
107.04968	2.3
108.04558	0.5
108.05754	5.8
109.06532	5.1
109.10190	0.6
110.03655	0.6
115.05463	1.0
116.46022	0.5
118.04165	4.7
119.04945	75.1
120.05301	1.6
121.02905	0.9
121.06544	2.8
122.03634	3.7
123.04424	5.3
123.08072	9.1
125.05968	0.5
133.02791	0.5
133.06483	8.1
133.10112	1.1
134.03622	0.7
135.04408	0.9
136.05205	5.1
137.05981	23.0
137.09601	0.5
146.03572	0.8
147.04414	29.4
148.04903	0.8
149.05972	0.7
151.03929	0.6
151.07547	18.6
161.05986	2.7
161.07123	0.5
161.09613	0.5
163.09717	0.5
164.04663	1.3
178.07777	0.7
179.03421	4.1
179.07063	14.6
179.08574	0.8
179.10693	1.3
179.14282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
53.03941	0.3
54.80157	0.2
55.01859	0.4
55.05503	0.3
63.02390	0.1
65.03931	0.2
67.01863	1.3
67.05493	0.6
68.99438	0.2
68.99789	3.3
69.00159	0.2
69.07050	0.1
71.01350	0.5
71.20934	0.4
77.03934	0.2
79.05476	0.6
81.03413	0.6
81.07046	0.6
81.79536	0.1
83.04989	0.1
91.01841	0.5
91.05478	1.6
93.04517	0.1
93.07034	0.5
95.01309	0.2
95.04971	0.7
95.08611	0.7
103.05478	0.2
105.03387	1.0
105.07033	2.9
106.07292	0.1
107.04940	0.1
107.08591	0.4
108.08856	0.1
109.02884	0.5
109.06519	0.3
109.10127	0.3
111.00803	0.1
111.04444	2.3
115.05489	0.2
118.04150	0.2
119.04940	1.0
119.08582	0.6
121.06519	0.2
121.10150	0.3
122.10462	0.2
123.04436	1.2
123.08099	0.6
123.11709	0.4
127.03883	0.4
131.08582	0.2
133.01851	0.1
133.02850	2.2
133.06471	0.8
133.10129	2.4
135.04399	0.1
136.12036	0.1
137.02342	1.4
137.05937	0.3
137.08197	0.2
137.09587	0.3
147.03586	0.1
147.04433	1.4
151.03889	0.5
151.07530	0.6
151.11174	0.2
153.01933	0.1
155.03381	1.8
161.02345	1.0
161.05998	0.7
161.09628	0.3
161.13274	0.3
178.16626	0.2
179.03394	100.0
179.10489	0.8
179.14229	0.3
180.03751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
52.81612	0.2
53.00317	0.2
53.03942	0.8
54.03474	0.4
54.33177	0.2
55.01871	1.8
55.05514	0.4
56.05035	0.5
56.96569	0.3
57.03424	0.3
57.07069	0.2
59.93669	0.2
63.02376	0.3
63.27590	0.2
65.03951	0.5
67.02973	0.2
67.05501	1.8
68.05019	0.9
68.99796	0.6
69.03423	0.7
69.04546	0.5
69.07091	0.3
69.93303	1.1
70.06594	0.4
73.06546	0.3
77.03933	1.3
78.04707	0.2
79.05489	2.1
80.05015	0.2
81.03412	0.5
81.04536	0.6
81.07051	1.8
82.05270	0.2
83.03728	0.2
83.04970	0.4
83.06104	0.9
84.04520	0.2
85.02924	0.2
89.03925	2.0
91.05479	5.6
92.05887	0.2
93.04533	0.4
93.07045	1.2
95.04967	2.5
95.06087	1.8
95.08591	1.0
96.04488	0.2
96.05644	0.3
97.04012	0.3
97.07646	0.3
98.98479	0.2
103.05459	0.9
105.03390	3.4
105.04512	0.3
105.07031	4.0
106.06571	0.3
107.04942	1.1
107.06066	0.4
107.08592	0.9
108.04511	0.3
108.05682	0.5
109.02904	0.9
109.06493	0.8
109.10168	0.6
110.07159	0.9
111.04419	0.5
111.05589	0.4
113.38475	0.2
115.05444	0.5
117.03382	1.1
117.07021	0.5
118.04207	0.3
119.04941	4.7
119.08579	1.6
120.05634	0.9
120.08104	0.6
121.06503	1.0
121.10116	0.5
122.07146	0.4
123.04425	37.1
123.07992	1.0
123.11662	0.2
124.04804	0.5
124.08720	0.2
131.04921	0.2
131.08569	0.2
133.02849	26.9
133.06479	2.4
133.10127	2.3
134.03096	0.3
134.06064	0.4
134.07133	0.7
135.04419	4.1
135.05435	0.3
135.08041	0.4
135.11732	0.3
136.05173	0.8
136.08775	0.3
137.02371	0.2
137.05974	2.2
137.07210	0.3
137.08221	3.2
137.09566	0.5
138.06630	0.5
139.07448	0.3
143.08665	0.2
146.03647	0.5
146.07230	0.2
147.04411	6.1
147.08051	0.2
149.06079	0.4
151.03903	9.0
151.07541	2.1
151.11208	0.7
152.04327	0.3
152.07065	0.2
152.08180	0.8
153.83960	0.2
161.02347	0.6
161.05981	2.7
161.08203	0.5
161.09615	1.1
161.13252	0.7
162.05437	0.3
162.06613	0.3
163.07603	0.3
164.04590	0.3
164.08308	1.1
165.05389	0.2
176.44075	0.2
179.03389	100.0
179.09258	1.4
179.10527	2.9
179.12885	0.6
179.14063	0.9
180.03735	2.3
180.06398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02389	0.6
52.48598	0.6
53.03941	3.0
55.01861	3.1
55.05494	0.9
57.03431	3.8
61.76711	0.6
65.03940	4.4
66.04697	1.4
67.05503	3.7
69.95618	3.9
70.06583	1.1
77.03915	1.1
79.05063	1.0
79.05492	12.8
80.06286	3.0
81.07063	4.9
83.08487	0.6
85.78786	0.7
90.04719	0.9
91.05479	73.7
92.05813	2.6
93.03421	1.1
93.07041	4.5
94.04186	8.6
95.04974	7.9
95.08604	0.8
98.21460	0.8
103.05476	6.3
105.03360	1.2
105.04546	1.1
105.07030	30.6
106.07338	0.8
107.04960	3.7
108.05742	4.6
109.06510	15.1
109.07656	2.3
109.13225	0.6
110.79630	0.7
115.05436	1.2
118.04154	1.6
119.04939	67.0
120.05227	1.0
121.06569	5.1
122.03645	17.6
123.04478	4.7
123.08091	7.3
133.06493	13.1
133.10124	1.3
135.04437	1.1
136.05196	3.3
137.05975	100.0
138.06346	2.5
147.04405	64.5
148.04778	1.9
149.05673	0.8
151.07539	38.0
152.14348	4.0
161.05972	3.3
161.09546	1.0
161.13269	0.7
164.04257	4.5
178.05772	1.3
179.03419	2.8
179.07040	21.4
179.08662	0.7
179.10658	2.3
179.15491	3.3
179.98969	0.6
180.07893	0.8
198.61668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01864	3.3
67.05503	1.9
69.03404	1.1
77.03912	1.0
78.04696	1.0
79.05486	10.4
79.56878	0.7
80.95351	0.8
81.03391	1.1
81.07040	2.9
88.02237	1.0
91.05476	25.0
93.07040	3.3
95.04943	6.3
95.08601	3.2
98.98489	1.1
103.05466	16.8
105.03394	2.0
105.04495	0.9
105.07024	19.0
107.04951	94.7
107.08614	2.9
108.05226	1.1
109.06522	1.8
109.10081	0.8
111.63789	0.8
115.05446	8.9
117.07013	4.8
118.03648	0.9
118.07372	0.9
119.04930	7.0
119.08581	2.2
120.05745	3.5
121.06501	39.5
121.10114	1.1
122.06026	1.5
122.06834	1.6
122.10427	1.0
123.04441	2.4
123.08093	0.9
124.71507	0.8
131.04900	4.6
132.05748	1.5
132.08911	0.9
133.06488	2.8
133.10155	1.2
135.04456	1.1
135.08047	46.1
136.05222	2.0
136.08372	1.6
137.05983	1.9
139.07571	0.8
145.06575	1.1
145.07623	2.8
146.07266	2.0
147.04396	9.1
147.08043	43.7
148.05150	1.3
149.05978	32.6
149.09586	1.9
150.13651	0.8
151.03926	1.4
151.07538	11.2
161.06026	2.5
163.07536	100.0
164.07973	3.1
177.09117	15.3
178.04906	1.3
178.08611	8.0
178.09909	69.6
179.03406	5.7
179.07092	7.7
179.08612	1.3
179.10558	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	178.1226
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
53.03949	0.4
55.01853	0.5
56.96558	0.9
60.99665	0.4
67.05502	0.6
67.60593	0.3
68.05023	0.3
69.49308	0.8
69.49699	2.9
79.05488	0.7
80.05006	0.4
81.07087	0.5
81.40995	0.3
90.04238	0.4
91.05486	1.7
93.05819	0.4
93.07043	0.5
94.06574	0.5
95.04948	0.4
97.02873	0.5
98.97665	0.4
105.03363	0.6
105.07027	1.5
107.08596	0.5
115.05440	0.8
117.07027	1.3
117.27272	0.3
118.05725	0.4
118.06542	7.1
118.96751	0.7
119.04957	1.1
119.07320	8.2
123.04415	1.1
132.04440	0.5
132.08112	1.1
133.02827	1.5
133.06491	1.9
133.10120	0.5
134.09648	53.8
135.09981	1.5
137.05946	1.0
137.08199	0.4
147.04411	0.9
151.03873	0.5
151.07521	0.4
154.96460	0.5
160.03899	0.8
160.11249	1.6
161.02377	0.4
161.05984	1.4
162.09138	2.0
163.09830	0.8
178.04951	4.5
178.12265	100.0
179.03401	3.0
179.06967	1.0
179.12616	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	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.15785	0.2
51.02381	0.4
53.03946	0.8
54.03458	0.4
55.01871	2.6
55.05503	0.9
56.05042	0.4
56.46486	0.3
56.96564	0.7
57.03429	0.4
57.07069	0.4
59.04992	0.4
65.03939	1.2
67.05507	2.9
67.21398	0.2
68.05019	1.0
68.99791	0.6
69.03432	0.7
69.04559	0.5
69.07060	0.6
70.06574	0.5
71.04993	0.3
71.17975	0.6
73.02914	0.3
73.63478	0.2
73.82928	0.2
74.11689	0.2
76.40371	0.2
77.03928	2.2
79.05499	3.0
80.05009	0.5
81.03410	0.9
81.04539	1.0
81.07061	4.1
83.06092	1.0
84.04515	0.3
84.08128	0.5
85.02887	0.4
85.04050	0.2
89.03912	2.8
91.05483	6.9
93.04498	0.3
93.07040	2.3
94.06590	0.4
95.04971	4.9
95.06081	2.5
95.08035	0.4
95.08597	3.0
96.04462	0.3
97.06516	1.5
97.07627	0.3
98.07242	0.3
99.50713	0.2
103.05441	0.7
105.03394	7.2
105.04491	0.6
105.07030	8.2
107.04958	2.5
107.06088	0.5
107.08586	1.7
108.04488	0.5
108.05699	0.9
109.02872	0.9
109.06519	1.0
109.10163	0.9
110.07191	0.5
111.04408	0.3
111.05544	0.5
111.08089	0.3
115.05467	0.8
117.03380	1.0
117.07025	0.6
118.04182	0.3
119.04939	6.5
119.08585	2.7
119.19267	0.3
120.05580	0.9
121.02946	0.3
121.06497	1.1
121.10148	1.8
122.03619	0.3
122.07188	0.3
123.04428	38.8
123.08066	1.1
123.11719	0.7
124.04815	0.5
124.08746	0.4
131.08594	0.5
133.02855	33.8
133.06483	2.9
133.09213	0.2
133.10121	4.2
134.03690	0.3
134.06018	0.7
134.07141	0.8
135.04424	4.7
135.05423	0.4
135.08022	0.3
135.10016	0.3
135.11696	0.7
136.05153	0.9
136.08710	0.6
137.02386	0.4
137.06004	2.9
137.07025	0.4
137.07207	0.4
137.08223	3.2
137.09576	0.7
138.06650	0.5
139.07417	0.5
143.08397	0.3
145.02908	0.3
146.03619	0.7
147.04414	8.8
151.03912	11.6
151.07503	1.6
151.11143	0.5
152.07097	0.3
152.08202	1.1
161.02344	3.2
161.05995	3.8
161.08284	0.5
161.09624	1.2
161.13272	3.5
162.05467	0.4
162.06674	0.3
163.07599	0.3
164.04652	0.3
179.03395	100.0
179.09174	2.0
179.10683	2.8
179.12700	1.1
179.14220	3.0
180.03773	2.6
180.06483	0.5
180.10191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00570	0.8
53.03928	2.1
53.05707	0.9
55.01874	6.2
55.05498	3.2
62.65861	1.0
65.03932	1.6
67.05500	11.2
69.03407	1.4
69.07049	2.7
71.65491	1.5
71.65874	1.4
78.04687	1.3
79.05491	13.7
80.06249	1.2
81.03402	1.2
81.07050	7.3
88.02204	2.3
91.05473	28.2
92.05802	1.6
93.07018	6.7
94.07366	2.0
95.04955	9.7
95.08593	10.7
96.08945	1.2
98.98403	1.2
103.05463	16.4
105.03365	2.3
105.07024	26.8
107.04947	100.0
107.08577	5.1
108.05231	2.0
108.08897	1.3
109.06504	3.8
109.10164	5.9
115.05434	8.7
116.06266	1.3
117.07039	7.4
118.04207	1.1
119.04936	11.2
119.08606	6.4
120.05684	2.1
121.06496	42.8
121.10122	2.9
122.06036	1.2
122.06841	1.7
122.10462	2.4
123.04430	5.4
123.08069	2.5
131.04912	4.5
132.05704	1.2
132.08887	1.8
133.02831	2.3
133.06459	4.4
133.10080	3.4
135.04439	1.6
135.08041	49.1
136.05190	3.4
136.12018	1.3
137.05962	2.9
137.09607	3.5
145.06544	1.4
145.07607	3.2
146.03355	2.1
146.07278	1.4
147.04413	10.9
147.08041	42.1
148.05188	1.1
148.08356	1.1
149.05971	32.6
149.09590	3.0
150.06374	1.8
151.03877	1.4
151.07538	11.8
160.07504	1.0
161.05974	4.5
161.09532	1.3
161.13214	1.6
162.71060	1.1
163.07529	98.4
164.07906	2.2
177.09088	18.0
178.04984	4.3
178.08571	17.9
178.09863	73.0
178.13159	3.0
178.15831	2.0
179.03394	11.8
179.07103	7.4
179.08432	1.6
179.10510	6.7
179.14291	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.17151	0.5
53.03941	1.6
55.01866	0.6
55.05255	0.9
55.05509	12.8
57.07065	2.4
61.88745	0.4
63.63305	0.5
65.03941	0.8
67.05505	7.0
69.03416	0.8
69.07063	27.7
69.45656	4.4
71.08621	0.6
77.03903	1.0
78.04705	1.8
79.05488	14.6
79.05946	0.8
80.05841	0.6
81.00894	0.5
81.07055	18.4
83.08613	14.1
89.03915	9.2
91.04892	0.8
91.05473	14.3
93.07042	41.5
94.07394	0.8
95.04977	2.5
95.08602	40.8
97.10178	2.9
98.20729	0.6
98.98466	3.4
103.05463	3.7
105.07024	8.5
106.04172	4.9
106.07861	0.7
107.04986	1.1
107.08591	66.6
108.08925	1.4
109.02868	1.0
109.06500	1.8
109.10155	15.5
116.19833	0.5
117.03374	14.5
117.07024	1.4
119.08584	3.1
121.02859	0.5
121.06532	4.4
121.10140	100.0
122.10487	1.8
123.08046	1.1
125.32639	0.5
129.07053	0.6
131.04929	2.0
131.08578	3.3
131.91476	0.5
133.10114	2.0
134.03633	2.4
135.04427	2.9
135.10664	1.1
135.11687	18.0
136.11882	0.5
137.09528	0.5
145.02834	13.8
146.03598	0.6
148.12105	0.4
149.02376	0.8
149.05986	8.9
149.09521	0.6
149.13272	4.9
152.06213	0.6
157.82947	0.5
159.04349	0.6
159.08037	1.5
159.11690	0.9
162.03107	1.3
162.06744	0.6
163.03889	1.2
176.06152	0.7
177.04025	0.7
177.05492	8.9
177.06947	0.5
177.09128	4.3
177.13004	2.8
177.16385	47.6
178.07773	2.2
178.16711	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.01593	1.0
51.02383	0.9
52.00483	0.8
53.03934	2.1
55.01863	3.5
55.05510	4.3
55.91239	0.8
57.03438	0.8
63.02366	1.8
65.03944	2.0
67.05496	5.9
69.03429	4.1
69.07063	6.1
70.06607	1.2
71.04977	1.7
71.62125	1.4
72.75111	0.8
77.03916	1.3
78.04705	4.8
79.05489	13.0
81.03409	2.9
81.04529	1.2
81.07054	18.9
83.04962	2.0
83.06104	1.4
83.08613	1.4
85.06524	1.2
87.05576	1.4
89.03918	54.5
90.04248	1.6
91.05484	30.9
92.05872	1.2
93.06485	1.9
93.07042	30.1
95.04974	5.6
95.06085	1.2
95.08605	8.3
97.06515	3.1
98.98469	10.6
103.05473	6.1
105.03409	1.4
105.07027	25.5
106.04176	8.4
106.07375	2.2
107.04943	2.9
107.08590	22.6
108.08129	0.9
109.02882	5.4
109.06543	4.4
109.10163	1.5
110.07184	1.1
115.05463	2.8
117.03378	91.0
117.07018	20.4
118.03723	3.0
119.04895	1.7
119.08583	28.9
120.08109	0.9
120.08936	1.4
121.02815	1.0
121.06500	14.7
121.09324	1.6
121.10140	15.6
123.08057	1.7
124.05235	1.4
129.07004	4.3
130.07773	1.7
131.04909	3.8
131.05859	0.9
131.08577	20.5
133.06505	1.0
133.10138	14.3
134.03635	13.7
134.07170	1.7
135.04433	10.0
135.08067	5.3
135.10706	1.2
135.11676	14.8
136.08646	1.3
137.08269	1.0
144.09360	7.2
145.02841	100.0
146.03156	4.1
146.31152	0.9
147.04437	1.3
147.08064	1.0
147.11635	1.2
149.02345	4.3
149.05975	33.7
149.09608	2.7
149.13261	12.6
149.94638	1.0
150.06410	1.6
155.11829	1.3
157.10069	1.8
158.05934	2.0
159.08125	2.8
159.11697	34.4
160.08694	1.1
160.12097	1.0
162.03152	7.8
162.06738	1.1
163.03922	6.7
163.06207	1.1
172.33760	0.8
177.05461	43.5
177.09064	12.0
177.11282	2.3
177.12744	30.8
177.16380	4.8
178.04895	1.9
178.06276	1.1
178.08623	3.9
178.10820	2.0
186.05501	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03935	2.5
55.01860	3.1
55.05302	0.9
55.05513	9.9
56.96548	2.1
57.03432	1.3
65.03931	1.9
67.05227	0.9
67.05505	12.2
69.03434	7.8
69.07068	14.1
71.04987	1.4
71.64253	1.9
71.79689	1.0
75.90379	1.1
77.03883	1.0
78.04685	3.0
79.05057	1.7
79.05492	27.6
80.16718	0.9
80.34724	0.9
81.07055	27.6
83.04971	1.6
83.08624	2.9
85.06542	6.7
89.03922	11.0
91.05475	44.0
93.07040	57.1
94.07395	1.6
95.04948	6.5
95.08601	16.2
97.06524	15.4
98.98466	10.3
103.05435	5.2
105.07025	77.9
106.04163	7.5
106.07349	2.4
107.04942	3.6
107.08590	63.5
108.08911	2.2
109.02881	2.8
109.06503	5.5
109.10136	3.5
115.05424	3.5
117.03383	17.1
117.07011	13.7
118.03694	1.2
119.08580	26.7
121.02821	1.8
121.06508	22.8
121.10138	40.6
123.08092	1.4
129.06987	5.6
130.07767	3.2
131.04903	3.1
131.08562	28.9
133.06464	1.5
133.10129	79.7
134.03607	4.6
134.10457	2.4
135.04396	3.5
135.08070	8.4
135.11685	35.7
136.12004	1.2
144.09348	10.2
145.02844	24.1
146.03508	1.4
147.11636	1.2
148.08717	1.3
149.02307	2.2
149.05974	12.4
149.09647	6.9
149.13257	31.3
150.06473	1.2
150.13547	1.1
151.58255	1.1
157.10144	2.1
159.08075	2.8
159.11685	61.9
160.12016	2.7
162.03122	2.5
162.10358	2.5
163.03889	1.9
177.05452	17.2
177.09230	6.1
177.12746	100.0
177.16278	11.4
178.08711	1.5
178.13046	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
51.02365	0.5
53.00295	0.4
53.03937	3.0
55.01858	1.4
55.05501	1.9
65.03962	2.6
67.05504	2.5
69.07073	3.2
70.56202	1.5
78.04710	9.5
79.05491	4.3
81.03396	0.6
81.07052	3.3
83.04935	0.5
83.08602	1.9
89.03918	10.6
91.05477	21.1
92.05803	0.7
93.03392	0.5
93.07039	10.2
95.04962	5.4
95.08601	5.7
98.98457	3.0
103.05476	5.4
105.03383	1.7
105.04496	0.6
105.07034	4.3
106.04174	35.3
107.04944	1.7
107.08590	10.6
109.02831	0.6
109.06521	1.0
109.10152	2.1
115.05466	3.6
116.06254	3.1
117.03378	15.4
117.07023	12.1
118.07325	0.7
119.04949	2.3
119.08587	1.8
121.06504	17.8
121.10139	12.7
122.06841	0.6
129.07018	0.9
131.04951	3.1
131.08542	3.8
133.06474	4.7
133.10129	1.3
134.03639	3.9
134.07289	4.3
135.04462	2.6
135.08064	2.5
135.11710	3.1
144.05731	2.8
145.02847	18.9
145.06485	2.4
146.03175	0.7
147.04396	1.4
147.08032	0.7
148.05167	0.5
149.02379	0.6
149.05983	19.6
149.09601	1.6
149.13219	1.8
150.06396	0.7
159.04425	0.7
159.08037	0.9
159.11717	1.9
161.05968	1.5
162.03096	1.7
162.06766	14.8
163.03883	1.2
163.07137	0.6
177.05548	13.4
177.09103	100.0
177.16406	6.2
178.06088	0.4
178.09546	2.5
186.05510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
51.02375	0.4
53.03944	1.0
55.01871	0.8
55.05507	4.1
56.96564	9.2
57.03436	0.4
57.07071	0.6
60.61797	0.4
65.03939	0.6
67.05503	2.6
69.03433	0.7
69.07066	2.1
70.83087	0.7
70.83485	0.9
77.03939	0.6
79.05485	6.0
81.07056	5.2
83.08628	0.4
89.03927	1.4
91.05475	53.7
92.05798	1.1
93.07042	7.8
95.04967	1.7
95.08601	3.2
98.98460	2.8
103.05461	3.7
105.07024	41.8
105.61400	0.4
106.07339	1.3
107.04953	2.6
107.08591	5.0
109.02899	0.8
109.06516	0.5
109.10141	1.0
112.01792	0.5
114.01517	1.0
115.05431	3.2
116.02997	0.4
116.06235	8.8
117.03382	1.7
117.07019	3.5
118.07816	0.6
119.04925	0.5
119.08597	2.0
121.02228	1.8
121.06504	3.8
121.10134	4.5
123.08026	0.5
126.03342	1.1
128.03094	1.2
128.06232	0.6
129.03867	0.5
129.06996	7.0
130.02814	0.4
131.04887	1.1
131.08559	100.0
132.08824	2.3
133.04097	1.1
133.06487	1.0
133.10118	17.0
133.54277	0.4
134.03592	0.4
135.04521	7.7
135.08040	1.5
135.11664	0.6
139.53906	0.5
141.06955	0.7
142.04630	4.5
144.05667	1.1
144.54913	0.7
145.02835	1.8
145.10074	1.0
146.54633	0.9
149.02353	0.8
149.05971	2.7
149.09616	6.7
153.55424	0.9
154.06432	1.8
155.03679	0.5
159.08046	18.5
159.11703	1.6
160.08452	0.7
162.03149	1.0
163.06981	8.5
163.57146	1.2
165.57195	0.7
173.01189	0.6
174.57784	1.7
177.05510	2.6
177.09093	20.7
177.12697	2.8
177.16371	1.2
187.02705	0.4
199.02777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01596	0.4
53.03934	0.5
54.25523	0.3
55.01855	0.5
55.05509	0.5
56.57593	0.3
62.01587	0.6
63.02378	1.3
65.03928	0.7
66.11127	0.3
67.05492	0.6
68.66048	0.3
69.03402	0.4
70.82582	1.2
71.05004	0.3
77.03902	0.3
78.04706	4.1
79.05067	0.4
79.05489	1.6
81.03416	0.6
81.07050	0.9
89.03908	46.9
90.04253	1.2
91.05469	5.1
93.07044	2.6
95.04947	1.9
98.98468	2.7
103.05457	2.3
105.03363	1.1
105.04477	0.4
105.07035	1.4
106.04173	5.1
107.04930	0.9
107.08578	1.1
109.02850	0.7
117.03367	83.3
117.07010	1.3
118.03688	2.3
119.04969	0.6
119.08554	0.7
121.06503	2.3
121.10106	1.3
124.05202	1.5
129.06966	0.4
131.04892	0.8
131.08549	1.4
133.10100	0.6
134.03624	10.7
135.04419	6.2
135.08032	0.7
135.11714	0.7
136.04822	0.4
144.09331	0.6
145.02829	100.0
146.03157	3.0
147.04553	0.4
149.05965	28.2
149.13275	0.6
150.06302	0.7
158.05995	0.8
159.08098	0.4
159.11656	1.2
162.03149	2.1
162.06735	0.7
163.03842	2.2
177.05453	25.8
177.09001	3.6
177.12717	2.4
177.16396	0.7
178.05890	0.5
186.05478	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03939	0.8
55.01869	0.5
55.05506	0.9
57.07077	0.5
59.66216	0.3
63.02386	1.5
65.03929	0.8
67.05500	1.0
69.07062	1.7
69.58573	1.1
69.58995	1.9
77.03967	0.5
78.04698	3.9
79.05482	2.3
80.68613	0.4
81.03431	0.5
81.07040	1.9
83.08605	0.8
89.03913	47.9
90.04235	1.1
91.05474	7.7
93.07043	5.2
95.04962	1.9
95.08594	2.6
97.06557	0.4
98.98470	3.4
103.05453	3.7
105.03353	0.7
105.07011	2.6
106.04168	6.0
107.04982	0.8
107.08591	5.3
109.02866	1.0
109.06496	0.5
109.10154	0.8
115.05476	0.7
117.03374	85.0
117.07039	1.7
118.03693	2.8
119.04940	1.0
119.08564	1.6
121.06499	4.0
121.10133	6.1
124.05200	1.2
131.04959	1.1
131.08572	2.9
133.06439	0.4
133.10121	1.1
134.03635	9.9
135.04416	7.1
135.08008	0.5
135.11705	1.0
144.09314	0.5
145.02838	100.0
146.03178	2.9
148.07547	0.5
149.02354	1.0
149.05972	29.8
149.13290	0.8
150.06345	1.1
158.06018	1.0
159.04424	0.7
159.08055	0.8
159.11629	2.0
162.03093	1.9
162.06845	0.5
163.03905	2.9
172.92097	0.4
177.05472	29.8
177.09071	6.8
177.12688	2.9
177.16379	3.4
178.05966	0.9
178.08607	0.7
186.05479	3.1
195.08279	0.3
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
50.74302	1.4
60.05649	7.3
61.05988	2.2
70.06599	11.2
70.68149	3.0
70.68550	3.2
71.05026	1.2
71.06286	3.0
71.06918	13.3
113.09103	1.7
116.07126	2.8
117.07410	5.9
130.09692	1.9
131.10136	1.7
132.02106	100.0
144.88272	1.5
159.09544	2.4
176.01076	19.7
176.12148	4.1
186.68250	1.2
188.46785	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	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.6
55.05510	0.7
56.96561	18.0
57.97347	0.6
58.99862	1.1
69.07072	0.5
70.25122	0.5
70.68504	1.7
71.95251	2.4
77.00919	0.7
79.05504	0.7
89.03922	1.9
91.05458	0.8
93.07070	1.1
95.06140	0.6
95.08592	0.6
97.05710	0.5
98.21413	0.6
98.97579	92.2
99.97908	1.0
100.02484	1.6
103.05438	0.8
105.07028	1.3
107.08614	1.5
109.02870	1.4
109.10210	0.6
113.00847	2.9
116.98615	100.0
117.03358	3.4
117.98962	1.2
118.03535	1.1
119.01906	3.9
119.03613	0.5
119.08560	0.9
120.02061	1.0
121.01695	2.4
121.06502	0.9
121.10141	1.5
123.03273	0.5
128.60223	0.5
131.01903	21.7
131.08600	0.9
134.02992	2.0
134.99654	71.3
135.03268	5.0
135.04285	1.1
136.00015	1.0
136.02686	1.6
137.02960	1.4
140.00191	4.0
142.03458	0.6
145.02739	3.3
147.05019	0.6
149.03023	5.2
149.05939	1.2
153.00702	13.3
153.04230	1.1
154.03488	8.8
155.01926	1.5
158.01300	4.8
159.03105	0.8
167.59831	0.6
172.01601	0.8
172.04510	3.3
172.94247	1.1
173.01454	1.0
173.02948	4.0
173.04121	1.2
177.00851	2.8
177.02312	0.6
177.04042	3.3
177.05463	2.0
177.09065	0.6
177.11415	0.6
177.12761	1.0
191.03830	0.6
195.01778	1.2
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
53.03934	1.5
55.05516	9.0
57.07076	1.5
60.05649	9.6
67.05493	2.6
69.07069	20.3
69.80222	5.6
70.06596	25.8
79.05486	4.1
81.07063	9.7
83.08614	5.2
87.65930	0.9
91.05482	14.6
93.07045	5.9
95.08605	8.5
97.02899	1.0
98.98472	11.5
103.05480	1.8
105.07033	39.5
107.08585	7.9
115.05431	2.0
116.07057	7.2
117.07021	4.1
119.04920	1.6
119.08582	93.3
120.08857	2.3
121.10118	3.1
129.07001	3.7
130.06528	1.0
130.09766	3.1
131.08598	5.5
132.05779	1.1
133.10132	84.2
134.10463	2.4
142.07776	4.8
145.10135	7.6
146.10880	1.7
147.04379	1.2
147.08138	1.1
147.11705	14.4
157.10146	5.9
158.09253	2.7
160.05199	1.7
160.12509	5.3
173.13290	2.5
175.03867	1.0
175.07539	5.5
175.11287	7.8
175.14825	100.0
176.15161	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02382	0.2
53.03948	0.3
54.91317	0.2
55.05500	0.7
55.42938	0.2
60.05635	0.4
65.03943	0.3
67.05494	0.2
69.07052	1.0
69.76746	0.9
70.06580	1.0
71.66522	0.2
71.73730	0.2
77.03886	0.2
79.05493	1.0
81.07037	1.0
85.02905	0.2
91.04890	0.4
91.05471	7.8
92.05820	0.2
93.07028	1.1
94.90876	0.2
95.04955	0.5
95.08613	0.5
97.02883	0.2
98.21423	0.2
98.98460	5.3
103.05476	0.8
104.06255	0.3
105.07024	14.7
106.07330	0.4
107.08576	0.7
115.05443	0.8
116.06226	0.6
117.07012	2.1
118.07787	0.3
119.08572	100.0
120.08894	3.3
121.06497	2.2
127.03909	0.2
128.06216	0.8
129.06987	3.0
130.09798	0.2
131.08554	2.8
133.10118	52.2
134.10454	1.8
142.07727	0.9
143.77327	0.2
145.10127	0.8
147.04472	0.2
147.08046	1.2
147.10500	0.3
147.11673	5.0
156.20244	0.2
157.06497	0.4
157.10150	0.8
160.05214	0.5
160.12442	0.4
173.13335	0.3
175.03905	0.3
175.07535	2.7
175.11169	2.1
175.14812	11.7
176.07030	0.3
176.15219	0.4
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
53.03923	0.4
55.05509	3.1
57.07071	0.5
58.07384	0.2
60.05648	3.2
67.05505	1.3
69.03431	0.4
69.07066	7.3
69.34477	2.9
70.06591	9.0
72.08154	0.5
78.33562	0.2
79.05491	1.8
81.06574	0.3
81.07053	6.4
83.08617	1.4
91.05477	8.6
93.07036	3.0
95.04932	0.5
95.08601	4.7
97.02922	0.5
98.98459	7.8
103.05463	1.1
104.06260	0.9
105.03393	0.2
105.07024	16.1
106.07334	0.3
107.08591	3.6
112.08743	0.6
115.05430	2.0
116.06271	0.4
116.07057	2.5
116.99545	0.3
117.07018	3.4
118.07828	0.5
119.08575	37.8
120.08909	0.8
121.06498	0.6
121.10136	1.3
128.06210	0.8
129.06989	2.0
130.09763	1.1
131.04936	0.3
131.08565	4.1
132.05727	1.2
132.09325	0.4
133.10123	100.0
134.10414	2.9
142.07787	1.2
143.04915	0.3
145.06509	0.5
145.10120	4.8
146.10863	0.7
147.04401	0.9
147.08089	1.6
147.11678	10.0
148.12009	0.3
157.06502	0.3
157.10043	1.4
158.09227	1.0
159.11694	0.5
160.05220	1.6
160.12489	2.6
173.13251	1.3
175.03815	0.3
175.06044	0.4
175.07527	5.2
175.11285	2.4
175.14815	50.4
176.15181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03926	1.5
55.05297	0.8
55.05508	7.8
57.07063	1.2
59.04988	0.9
60.05647	14.6
65.03915	1.1
67.05499	4.6
69.03418	1.6
69.07066	12.9
69.50095	6.4
70.06589	36.5
71.05001	1.8
72.08158	1.7
77.03883	0.9
79.05487	6.7
81.07056	28.3
83.08614	2.5
87.04450	1.8
91.05480	20.7
92.05784	1.4
93.07042	9.3
95.04924	1.3
95.08601	21.8
97.02892	1.6
98.97858	0.9
98.98472	14.7
103.05464	2.3
104.06264	1.0
105.07027	51.6
106.07362	1.5
107.08595	10.9
109.10145	1.7
112.08704	1.3
115.05465	2.5
116.06292	1.3
116.07076	9.4
117.06981	6.6
119.04978	1.3
119.08576	88.9
120.08894	2.8
121.06502	2.3
121.10158	1.9
128.06215	1.8
129.06998	7.5
130.09741	4.5
131.08568	10.5
132.05717	1.7
133.10129	100.0
133.47755	0.8
134.10457	3.3
142.07770	3.2
145.06497	1.9
145.10112	5.4
146.10869	1.9
147.04428	2.1
147.08049	3.5
147.11693	14.1
148.39885	0.8
157.06519	2.1
157.10120	4.7
158.09233	2.9
160.05205	4.2
160.08864	1.1
160.12471	3.1
173.13257	2.3
175.07547	15.2
175.11273	8.0
175.14822	76.6
176.08044	1.3
176.15189	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
50.00556	0.5
53.03948	0.7
55.05504	7.1
57.07070	0.9
60.05651	1.1
60.36501	0.6
63.19535	0.6
67.05505	2.1
69.07064	25.7
70.06587	2.7
70.18276	2.5
79.05480	3.9
81.07049	7.2
83.08609	5.1
91.05475	11.4
91.06017	1.0
92.05804	0.6
93.07038	4.5
95.08598	5.8
98.98453	3.0
103.05465	1.0
104.06239	1.0
105.07025	30.7
106.07368	1.0
107.08590	6.1
115.05457	2.9
116.07105	0.8
117.07013	4.2
118.07796	0.8
119.08574	100.0
120.08887	2.7
120.83914	0.6
121.06486	0.5
121.10169	3.2
129.07011	1.4
131.08556	4.4
132.05699	1.2
133.10124	86.9
133.43172	0.5
134.10480	2.4
135.11659	0.9
145.10115	8.1
146.10835	1.1
147.08032	1.1
147.11682	12.8
148.12001	0.6
159.11636	1.0
160.05220	2.0
160.12430	4.4
173.13223	2.3
175.07559	4.6
175.14815	99.6
176.15154	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	175.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15387	0.2
56.69385	0.2
56.96564	1.8
59.75564	0.2
60.05645	34.5
66.23899	0.2
68.05022	0.4
69.03461	0.3
69.92355	0.5
69.92772	0.9
70.06586	100.0
70.98137	0.3
71.04990	1.8
71.06924	1.0
72.08150	4.6
73.02922	0.5
80.25249	0.2
85.02906	0.3
88.07603	0.4
89.64974	0.2
97.07637	0.6
98.06051	1.4
98.97581	1.4
98.98480	0.3
101.00856	0.3
110.97562	0.3
112.08723	3.8
113.07115	0.4
114.05537	0.5
114.10297	0.4
115.05843	1.4
115.08710	0.7
116.07085	25.4
116.98619	0.8
117.07439	0.3
119.01913	0.6
121.55062	0.2
128.98647	0.3
130.09755	12.0
133.03426	0.3
134.99661	0.6
141.06590	0.5
149.01106	0.2
157.10832	0.9
158.08115	0.4
158.09238	6.3
163.02771	0.3
175.04494	0.3
175.11891	18.9
189.03583	0.3
189.81740	0.2
193.00125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05648	38.8
68.05026	0.3
69.75912	2.0
69.76216	0.6
70.06592	100.0
71.04995	2.0
71.06924	1.5
71.96561	0.3
72.08158	4.9
80.70081	0.3
88.07616	0.5
96.91699	0.3
97.07658	0.8
98.06045	0.8
112.08721	4.4
113.07171	0.3
114.05544	0.9
114.10294	0.8
115.05872	1.7
115.08707	0.8
116.07092	29.8
119.01810	0.4
125.97136	0.3
130.09758	13.7
132.02142	0.5
141.06580	0.4
157.10864	1.4
158.09253	7.5
175.11902	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.84456	0.4
53.03946	0.4
55.01860	0.7
55.05505	5.1
57.07058	1.0
60.06187	0.6
65.03942	0.5
67.05505	2.1
67.49312	0.5
69.03415	0.6
69.07063	14.8
70.06578	1.0
71.04941	0.5
79.05489	3.6
81.07055	7.8
83.08202	0.4
83.08632	3.1
85.02888	0.7
88.42658	0.4
88.87440	0.4
91.05477	18.2
93.07047	4.3
95.04974	0.9
95.08602	5.8
97.02906	1.0
98.98463	20.7
100.61464	0.4
103.05489	2.1
104.06247	0.6
105.07024	29.7
106.07359	0.7
107.08594	5.7
115.03826	0.5
115.05441	2.7
116.06213	1.8
116.06982	0.5
117.06999	6.1
118.07803	0.6
119.08575	77.4
120.08865	2.7
121.06512	4.5
121.10140	1.7
128.06215	2.8
129.06998	8.1
131.08559	10.4
132.02058	1.1
132.05719	0.6
133.10121	74.3
133.96820	0.4
134.10510	1.9
140.01120	0.6
142.07802	3.5
144.09308	1.3
145.06474	1.0
145.10120	13.2
146.07259	0.4
146.10826	1.3
147.04414	1.1
147.08002	3.1
147.11682	30.7
148.11984	1.3
157.06503	2.4
157.10129	3.0
159.11681	6.0
160.05203	1.5
160.08885	1.0
160.12497	8.5
161.13286	2.2
173.13263	2.0
175.03876	1.1
175.07521	8.6
175.11404	5.4
175.14815	100.0
176.07007	2.6
176.15189	4.0
181.96033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01868	1.5
55.05511	4.9
57.58964	0.7
60.05627	1.3
65.03924	0.8
67.05486	3.2
69.03416	1.4
69.07066	3.7
70.00587	1.8
70.00998	2.3
70.06595	4.0
79.05496	5.1
81.03426	0.8
81.07058	5.1
83.04987	0.9
83.08614	1.2
85.02863	0.8
87.60164	0.7
91.05476	24.6
92.05775	0.8
93.07037	7.4
95.04955	1.9
95.08613	4.3
97.02843	0.9
98.98462	30.6
103.05441	2.5
105.07026	84.6
106.07316	1.3
107.04935	1.8
107.08588	5.4
108.09340	3.2
115.05447	6.3
116.06218	2.4
116.07040	1.2
117.07035	10.4
118.07838	0.9
119.04939	1.3
119.08577	41.8
120.08870	0.8
121.06503	11.1
128.06201	5.8
129.07002	21.3
130.06345	0.7
131.04875	1.2
131.08563	20.4
132.05751	1.2
133.06496	11.7
133.10123	32.2
134.10451	1.1
141.06967	4.7
142.07771	39.9
143.08159	1.3
145.06506	5.5
145.10126	6.3
146.07265	3.0
147.04390	2.0
147.08040	10.4
147.11678	15.9
155.08528	0.8
157.06490	1.8
157.10126	44.0
158.10478	1.0
159.08086	3.8
160.05196	3.0
160.08838	13.3
160.12422	1.1
162.05188	0.7
175.03941	1.1
175.07632	12.3
175.11176	100.0
175.14781	24.5
176.04771	0.9
176.07082	2.5
176.11552	4.1
176.15169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.05508	7.4
60.05648	16.6
65.03918	0.8
65.96544	0.7
67.05490	3.0
69.03414	2.4
69.07063	12.4
69.97565	0.8
70.06591	46.9
71.04980	1.7
71.61831	0.9
72.08152	2.4
79.05479	6.6
81.07052	9.9
83.04972	1.1
83.08612	3.6
85.02897	1.1
87.04448	1.6
91.05480	25.4
93.07033	6.4
95.04954	2.3
95.08604	6.5
97.02884	2.3
98.98462	40.1
100.07252	0.7
103.05428	1.4
104.06232	1.1
105.07028	100.0
106.07350	2.8
107.04948	1.7
107.08590	4.8
109.06565	0.8
111.04456	0.7
112.08729	2.4
115.05425	11.1
115.08749	0.9
116.06253	2.3
116.07080	13.1
116.97186	1.1
116.99466	1.3
117.07008	8.2
119.04946	5.5
119.08579	71.2
120.08877	1.2
121.06491	2.8
121.10170	1.5
127.03899	0.9
128.06201	2.6
129.07014	11.5
130.06505	1.9
130.09758	7.4
131.04916	2.2
131.08569	13.8
132.04451	0.9
132.05690	1.8
133.06494	5.3
133.10127	61.9
134.10381	1.0
135.07968	1.1
141.07008	4.3
142.07776	43.0
143.04985	1.5
143.08144	1.0
144.05693	2.2
145.06467	3.7
145.10078	7.4
146.07309	1.2
147.04410	3.5
147.08012	6.1
147.11684	19.7
148.08594	1.3
157.06529	1.2
157.10118	39.8
158.09245	3.5
158.10410	1.5
159.07983	1.0
160.05191	15.2
160.08795	4.9
160.12453	2.5
173.13234	1.2
175.03865	2.0
175.06146	1.0
175.07530	24.5
175.09572	1.7
175.09924	0.8
175.11107	54.4
175.14813	56.7
176.06940	1.6
176.11511	1.1
176.15207	0.8
186.16200	0.8
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	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03950	0.8
55.01899	1.0
55.05508	2.8
57.03448	0.8
60.05646	17.2
65.03960	0.7
67.05510	2.7
69.03439	3.2
69.07088	1.7
69.72282	1.0
69.72690	2.6
70.06586	49.4
71.05006	1.6
71.06933	0.5
72.08140	2.4
79.05485	3.6
81.07054	3.8
83.04977	1.0
85.02905	0.5
87.04473	1.1
91.05476	24.7
91.24959	0.5
93.07049	5.1
95.04971	3.5
95.08601	3.2
97.02883	1.2
98.03709	0.5
98.06062	0.6
98.98460	21.5
103.05501	2.4
104.06258	0.5
105.07024	100.0
106.07356	2.3
107.04967	1.0
107.08582	2.5
109.06507	0.8
111.04409	1.1
112.08731	2.0
115.05424	3.7
116.06226	3.7
116.07085	13.2
116.97189	0.5
116.99513	0.7
117.07021	5.4
119.04941	3.1
119.08572	30.5
121.06483	6.9
125.02339	0.5
128.06223	2.8
129.05501	0.7
129.06998	12.8
130.06461	0.8
130.09763	6.2
131.04875	1.2
131.08563	12.0
132.05673	1.9
132.95807	0.5
133.06482	6.0
133.10123	15.4
134.06992	0.4
135.07980	0.7
141.06963	5.0
142.07768	45.3
143.08086	1.3
143.63130	0.5
145.06473	4.4
145.10094	4.2
146.07248	3.2
147.04396	2.9
147.08038	9.5
147.11679	11.8
150.96933	0.7
155.08495	0.6
157.10110	44.9
158.09192	3.6
158.10461	1.3
159.07970	1.3
160.05127	1.7
160.07562	0.6
160.08824	9.3
175.03824	1.4
175.07550	23.0
175.11108	60.6
175.14740	8.5
176.06795	0.5
176.08070	0.8
176.11517	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
53.03942	1.7
55.01875	1.7
55.05504	4.5
65.03922	0.8
65.48826	0.8
67.05495	4.1
69.06724	0.7
69.07063	5.7
70.06596	1.0
70.19814	2.7
70.20223	1.1
79.05482	7.8
81.03400	2.8
81.07047	8.7
83.04976	2.5
83.08611	0.7
91.05473	30.2
93.07034	7.6
95.04971	3.5
95.08582	6.5
96.31161	0.7
98.98454	18.5
103.05465	3.7
104.06252	0.9
105.07024	100.0
106.07372	2.3
107.04951	0.9
107.08592	6.8
115.05435	8.9
116.06209	2.2
116.07001	0.7
117.07011	22.9
118.07825	1.4
119.04941	2.6
119.08572	70.0
121.06494	7.5
128.06197	6.4
129.06998	34.6
130.07826	0.9
131.07574	1.3
131.08554	21.5
132.09319	2.3
133.06468	6.7
133.10117	52.6
135.08047	1.3
141.06963	4.1
142.07773	52.7
143.08273	0.9
145.06496	5.4
145.10098	6.5
146.07326	1.2
146.10881	1.1
147.04346	1.3
147.08057	6.8
147.11671	20.8
148.08220	0.9
157.06497	2.0
157.10120	60.0
158.10437	1.6
159.08057	2.8
160.05174	1.1
160.08818	10.0
160.12479	1.8
175.07660	8.6
175.11174	93.9
175.14804	47.1
176.07092	1.3
176.11584	3.2
176.15233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	1.7
55.05502	4.3
57.87368	0.7
60.05652	4.9
60.74755	0.7
61.40308	0.7
62.48553	0.7
62.91247	0.6
65.03915	1.1
67.05490	3.1
69.03403	2.3
69.07067	4.1
70.06590	15.0
70.06960	1.7
71.64377	1.3
79.05486	5.7
81.03412	1.7
81.07063	8.1
83.04972	5.9
91.05480	28.8
92.05764	0.9
93.07043	7.8
95.04961	2.7
95.08605	4.8
97.02890	1.9
98.98463	41.1
100.93041	0.7
103.05442	3.0
104.06255	1.6
105.03422	1.1
105.07026	59.7
106.07336	1.3
107.04250	0.7
107.04948	3.2
107.08601	4.0
109.06477	1.1
111.04415	1.0
115.04684	1.3
115.05453	26.8
116.06217	3.0
116.07091	3.3
117.07018	33.4
118.07898	3.7
119.04936	4.1
119.08575	42.0
120.08879	1.0
121.06516	6.1
128.06226	10.7
129.07004	50.2
130.07370	1.4
130.09752	2.2
131.04878	2.5
131.08562	18.9
132.05716	7.2
133.06509	8.5
133.10124	33.3
134.10475	0.9
141.06996	5.4
142.07773	50.1
143.04886	2.8
143.08121	2.2
144.05724	3.6
145.06474	6.5
145.10081	5.1
146.07205	2.5
147.04391	3.1
147.08051	11.6
147.11664	11.2
155.06007	1.3
155.08487	2.4
157.06474	2.5
157.10124	61.5
158.09212	1.6
158.10458	1.9
159.08051	1.4
160.05194	28.8
160.08829	9.3
175.03990	3.9
175.07558	51.4
175.11165	100.0
175.14786	19.4
176.06882	1.1
176.08154	1.1
176.11485	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03913	1.0
55.05522	4.0
57.03424	1.0
59.64618	0.8
67.05490	1.3
69.07051	2.9
70.06564	1.3
70.18323	4.1
71.21631	0.7
79.05482	4.9
81.07056	5.5
83.04971	3.2
88.34467	0.8
91.05472	24.9
93.07027	3.2
95.04948	1.5
95.08598	4.0
98.98457	7.6
103.05454	2.1
105.07024	91.2
106.07364	2.0
107.04855	1.0
107.08575	3.5
115.05448	8.7
116.06204	3.2
116.07004	0.9
117.07013	24.6
118.07851	3.9
119.04906	1.1
119.08577	35.9
121.06506	4.3
128.06207	6.4
129.06993	34.2
130.07404	0.8
131.08557	23.7
132.05722	0.8
133.06462	4.4
133.10114	23.5
135.08029	1.2
141.06979	6.8
142.07770	61.0
143.08121	2.0
145.06473	3.3
145.10036	4.0
146.07243	1.4
146.10886	1.0
147.08043	8.8
147.11681	9.0
155.08517	2.0
157.06520	1.9
157.10118	72.5
158.10449	2.4
159.07988	1.3
160.08813	4.0
175.07625	11.4
175.11174	100.0
175.14764	15.0
176.11505	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02364	0.9
55.01846	2.9
55.05503	6.5
56.96537	1.8
57.03433	69.6
60.05646	6.0
61.02893	1.0
62.48360	0.7
65.03927	1.6
67.05490	4.5
69.03413	2.5
69.07063	6.5
70.06248	1.0
70.06590	12.5
71.64622	1.1
78.47835	0.8
79.05495	7.2
81.07048	11.6
83.04951	1.0
83.08598	1.6
84.04491	1.0
85.02911	0.8
91.05474	54.9
92.05780	1.1
93.07034	7.4
95.04942	3.3
95.08588	4.9
97.02874	3.1
98.98461	100.0
103.05433	4.7
105.07025	66.2
105.07631	0.8
105.07766	1.8
106.07350	1.6
107.04929	2.2
107.08597	7.3
109.06455	1.2
111.04414	1.2
115.03873	1.4
115.05437	10.0
116.06207	6.6
116.07066	2.4
116.99482	3.1
117.07008	14.1
118.07820	1.0
119.04947	3.8
119.08572	96.9
120.08866	2.8
121.06496	47.5
121.10115	1.0
122.06791	0.7
127.03882	1.0
128.06223	9.9
129.07002	44.6
130.07248	0.7
130.07841	1.3
130.09708	1.4
131.04968	1.4
131.08560	34.6
132.05692	2.9
132.08865	1.1
133.02908	1.0
133.06509	6.8
133.10120	44.4
134.10460	1.0
140.01031	0.9
141.07018	1.6
142.06758	1.2
142.07777	22.2
142.55351	0.8
144.05682	0.9
145.06447	6.5
145.10115	4.9
146.07208	3.0
147.04407	5.5
147.06915	1.5
147.08047	21.6
147.11674	18.1
151.93991	2.1
156.41570	0.8
157.06473	8.4
157.10117	23.9
157.96420	0.8
158.09297	1.4
160.05183	8.4
160.08807	5.6
160.12407	1.5
173.13226	0.9
175.03922	4.1
175.07541	59.2
175.11156	66.9
175.14806	40.8
176.06880	4.0
176.11516	1.8
176.98999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01867	0.5
56.96568	0.4
60.05642	1.3
60.30012	0.4
67.05505	0.7
69.07063	1.0
69.22742	0.4
70.06593	4.1
70.11265	1.9
79.05496	1.1
81.07061	2.9
85.85037	0.4
91.05476	10.4
93.07040	1.8
95.08596	1.8
98.03085	0.5
98.21426	0.5
98.98454	5.6
103.05453	1.5
104.06258	1.5
105.03390	1.2
105.07032	10.3
107.08582	1.0
110.36860	0.4
115.05453	47.4
116.06223	3.4
116.07114	1.3
117.07018	11.8
119.04954	1.0
119.08582	10.0
121.06513	6.5
128.06248	4.3
129.07007	12.0
131.04930	3.3
131.08548	5.5
132.05707	8.3
133.06465	0.6
133.10132	5.9
142.04115	1.0
142.07780	2.4
143.03778	0.6
143.04918	11.4
144.05704	10.6
145.06499	2.2
147.04399	0.5
147.08047	7.2
147.11697	2.1
147.30942	0.4
148.08353	0.5
155.06026	1.3
157.06456	1.2
157.10114	3.8
159.04347	0.8
160.05193	80.5
161.05531	3.3
162.06242	0.5
163.81920	0.4
175.07542	100.0
175.11169	4.1
175.14833	6.3
176.07883	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02378	0.7
53.03939	0.9
55.01862	2.3
55.05509	7.5
56.96559	1.5
60.05647	2.6
65.03937	1.1
67.05504	3.2
69.03418	1.0
69.07066	5.6
70.06586	8.1
71.63730	0.9
77.03922	0.6
79.05492	8.1
81.03407	0.7
81.07059	12.7
83.04967	0.7
83.08604	1.2
91.05480	44.0
92.05819	1.2
93.07040	9.2
94.23208	0.5
95.04954	1.9
95.08607	9.8
97.02914	0.5
98.98463	18.1
103.05446	3.5
104.06240	1.7
105.07027	100.0
106.07378	3.3
107.04938	1.9
107.08592	7.0
115.05448	14.5
116.06229	3.9
116.07092	2.5
117.07025	13.7
118.07266	0.5
119.04916	1.7
119.08578	60.5
120.08915	1.4
121.06506	7.9
121.10143	1.4
127.03938	0.7
128.06224	10.3
129.07007	32.7
130.07719	0.8
130.09753	0.9
131.04965	1.6
131.08572	22.7
132.05728	4.5
132.09349	0.4
133.06488	9.7
133.10129	32.7
141.06985	2.5
142.07779	33.7
143.04958	1.4
143.08130	1.1
144.05661	2.1
145.06493	4.1
145.10129	7.1
146.07253	1.8
146.10677	0.9
147.04408	2.0
147.08044	23.6
147.11705	12.1
148.08479	0.7
153.05614	1.4
155.06009	1.3
155.08598	0.6
157.06509	9.6
157.10136	33.8
158.09267	0.7
158.10493	1.1
159.08037	1.3
160.05206	18.0
160.08846	3.8
160.12448	1.0
161.05951	1.1
173.13242	1.0
175.07550	47.6
175.11179	36.8
175.14818	33.2
176.08041	0.8
176.11465	1.4
176.15117	1.2
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
53.03936	1.0
54.59304	0.5
55.01863	1.6
55.05502	2.2
56.13291	0.4
56.96550	0.5
57.03416	0.5
59.06111	0.6
60.05642	12.5
60.41201	0.4
65.03923	1.1
67.01852	0.9
67.05502	2.1
69.03423	7.0
69.07063	2.3
69.71522	3.4
70.06586	35.4
71.04985	1.4
72.08149	1.8
77.95221	0.4
79.05485	4.7
81.07043	3.3
83.05003	0.5
83.08607	0.5
84.04458	0.5
85.02889	0.6
87.04443	1.4
91.05473	61.9
91.31924	0.4
92.05803	1.3
93.07040	3.1
95.04971	1.4
95.08598	1.1
97.02874	2.0
98.06023	0.4
98.98455	28.1
103.05452	4.0
104.06255	1.6
105.03404	0.6
105.07022	32.0
106.07378	0.7
107.04923	2.4
107.08566	2.2
111.04414	0.8
112.08717	1.7
114.10271	0.6
115.05418	7.8
116.06227	17.6
116.07084	9.7
116.99480	1.1
117.07028	12.2
119.04934	2.0
119.08568	58.6
120.08128	0.7
120.08914	1.7
121.06487	7.5
121.10133	0.7
127.03892	0.5
128.06209	4.2
129.05450	1.1
129.06987	20.3
130.06491	1.0
130.09763	4.0
131.04918	1.9
131.05859	0.5
131.08549	12.4
132.05688	6.3
132.95822	0.5
133.06494	7.5
133.10117	13.4
135.07980	1.7
141.06946	0.7
142.07770	10.5
142.08888	0.5
143.06009	0.5
143.08148	0.7
144.05663	0.6
145.06468	6.4
145.10143	2.0
146.07257	3.8
147.04420	2.3
147.08029	15.7
147.09203	0.9
147.11681	10.6
148.08533	0.9
152.96936	0.5
155.06062	0.6
157.06477	1.4
157.10095	11.3
158.09282	2.2
158.10336	0.5
159.08034	1.4
160.05226	3.9
160.08830	12.0
173.09628	0.6
175.07533	100.0
175.11081	46.2
175.14746	7.8
176.08028	4.1
176.11555	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	2.6
55.02389	0.6
55.05510	1.5
56.64166	0.6
65.03924	0.9
67.05497	1.9
68.87105	0.6
69.07069	2.7
70.68528	2.2
79.05485	4.1
81.07049	9.5
91.05477	69.2
92.05800	1.9
93.07039	4.1
95.04951	1.1
95.08600	7.5
103.05453	6.6
104.06244	1.1
105.07027	26.9
107.08578	3.2
115.05448	7.4
116.06242	11.9
117.07029	6.7
119.04946	1.0
119.08577	39.0
120.08836	1.4
121.06498	77.0
122.06838	2.3
127.05451	0.8
128.06221	22.0
129.06999	100.0
130.07404	2.6
131.08560	61.8
132.05695	1.6
132.08896	3.0
133.06502	1.9
133.10114	15.8
142.07784	5.3
145.06459	7.0
145.10118	0.9
147.08037	28.3
147.11665	5.8
148.08423	1.0
155.06030	2.5
157.06482	22.5
157.10085	7.1
158.06885	0.8
175.07541	64.3
175.11128	9.5
175.14810	17.0
176.07861	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02388	0.9
51.33458	0.7
53.03947	1.1
55.01862	2.9
55.05515	5.0
60.05642	7.8
62.52560	0.8
65.03925	1.2
67.05482	2.8
69.03415	3.8
69.07061	8.9
70.06589	20.4
70.78332	2.6
72.08144	0.8
77.03912	0.9
78.04707	4.4
79.05481	7.2
81.03396	0.8
81.07050	10.7
83.08617	1.6
91.05474	62.6
92.05783	1.9
93.07011	5.5
95.04976	1.6
95.08599	7.1
97.02842	1.1
98.98463	20.4
103.05457	8.1
104.06245	19.4
105.03397	1.8
105.07028	27.8
107.04944	12.9
107.08585	5.7
111.04431	0.8
115.05446	37.8
116.06206	2.8
116.07093	5.3
117.07004	28.9
119.04926	2.7
119.08572	100.0
120.08840	1.6
121.06475	3.0
121.10101	1.0
127.03881	0.9
127.05386	1.1
128.06213	23.3
129.05569	0.9
129.07004	21.7
130.09781	1.0
131.04918	8.8
131.08557	7.0
131.19293	0.8
132.05701	70.9
133.06044	1.3
133.10118	52.0
134.10464	1.8
142.07779	2.7
143.04913	2.8
144.05695	1.2
145.06476	9.5
145.10127	4.7
146.07224	2.4
146.10936	1.1
147.04419	3.5
147.08035	56.7
147.11691	9.5
148.08380	1.8
155.06020	3.3
157.06453	2.3
157.07602	1.6
157.10107	4.0
158.09239	1.6
160.05185	51.9
160.08725	1.2
160.12448	2.1
161.05562	2.2
175.07539	98.2
175.11215	6.9
175.14807	44.8
176.07980	3.8
176.15204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02358	0.4
53.03944	0.9
55.01869	2.6
55.05509	1.1
56.96563	3.8
65.03941	0.9
67.05491	1.0
69.03422	0.6
69.07059	0.9
70.06595	1.3
71.48061	0.5
71.48421	0.6
77.03930	1.2
79.05499	3.2
81.07050	3.9
85.13645	0.3
86.25856	0.4
91.05479	73.4
92.05821	1.4
93.07032	3.5
94.07857	0.5
95.04955	1.3
95.08618	2.4
95.62502	0.4
98.00532	0.4
98.98461	4.7
103.05464	5.0
104.06232	0.9
105.03439	0.7
105.07027	14.9
106.59338	0.4
107.04948	1.2
107.08592	1.4
108.84924	0.4
110.92657	0.4
115.02289	0.4
115.05449	8.3
116.06240	14.4
117.06370	0.4
117.07051	6.0
119.04912	0.9
119.08579	18.9
120.08997	0.5
121.06503	61.9
121.68211	0.4
122.06848	1.7
127.05421	1.0
128.06226	28.3
129.07002	100.0
130.07410	2.4
131.08563	58.9
132.05702	1.6
132.08853	2.2
133.06490	2.1
133.10136	5.8
134.03017	0.4
141.03847	2.6
142.07788	3.7
145.06487	8.5
145.10115	0.7
146.07188	0.5
147.04422	0.5
147.08044	24.2
147.11673	2.4
148.08397	0.7
153.05652	0.9
155.06033	4.1
157.06485	19.2
157.07550	0.7
157.10088	3.7
158.06764	0.6
160.05109	0.5
160.08855	0.6
162.06215	2.4
171.06746	0.5
175.07542	52.7
175.11127	7.6
175.14821	6.6
176.07904	2.5
185.13315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01866	4.0
55.05508	1.8
56.96571	2.7
60.05628	1.1
67.05520	2.0
69.07070	1.8
70.06596	4.4
71.03107	2.1
79.05491	3.5
81.07054	6.9
90.04852	0.7
91.05475	68.6
92.05806	1.5
93.07046	3.8
95.04991	1.2
95.08602	4.3
97.02929	0.9
98.98454	14.6
103.05459	5.5
104.06246	1.1
105.07030	26.4
107.04968	1.3
107.08600	3.3
115.05453	8.4
116.06246	13.1
116.07003	1.0
117.07030	7.7
119.04951	2.2
119.08581	32.5
120.08978	1.0
121.06497	89.7
122.06834	2.2
127.05431	1.1
128.06216	26.4
129.07001	100.0
130.07397	3.2
131.08563	59.7
132.05774	1.3
132.08888	1.8
133.06490	2.1
133.10127	15.9
134.03114	1.5
142.07742	8.2
142.85539	0.7
145.06468	9.2
145.10164	1.4
146.10913	0.9
147.04399	1.3
147.08040	29.9
147.11673	5.2
148.08401	1.0
155.06035	3.5
157.06490	18.9
157.07704	1.5
157.10092	9.0
160.05183	1.9
175.07541	65.7
175.11139	17.4
175.14813	12.3
176.07941	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02373	0.4
53.03936	0.7
53.90794	0.3
55.01869	3.8
55.05500	0.5
56.96568	0.7
60.05636	0.5
60.98338	0.3
65.03947	0.6
67.05511	0.4
69.03449	0.4
69.07063	0.7
69.94100	1.7
70.06593	1.4
70.06953	0.3
79.05493	2.1
79.89957	0.3
81.07056	1.0
83.01302	0.3
91.05478	41.7
92.05811	0.8
93.07050	2.2
95.04964	1.4
95.08608	0.6
95.79433	0.3
98.20888	0.5
98.98463	9.8
98.99112	0.5
103.05457	3.4
104.06249	1.2
105.04532	0.3
105.07024	10.8
106.08176	0.3
107.04988	0.3
107.08602	0.5
115.03911	0.3
115.05451	5.9
116.06242	9.9
116.07025	0.5
117.07039	5.5
119.04958	0.8
119.07704	0.3
119.08582	12.0
121.06502	100.0
122.06831	3.0
124.61690	0.4
127.05373	0.3
128.06221	12.9
129.07005	50.5
130.07396	1.6
131.08565	31.6
132.05687	1.3
132.08908	1.5
133.06497	1.2
133.10124	4.1
135.04347	0.5
142.07758	2.1
145.06477	7.6
145.10185	0.5
146.06848	0.4
147.04384	0.8
147.08046	25.9
147.11632	1.5
148.08401	0.9
155.06042	1.7
157.05206	0.5
157.06499	8.9
157.07736	0.7
157.10085	2.6
158.06786	0.5
160.05173	1.2
160.08887	0.6
175.07547	59.6
175.11052	4.9
175.14803	3.7
176.08029	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	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.01586	0.5
53.03931	1.0
55.01865	2.1
55.05503	2.0
56.96568	1.2
67.05493	1.3
69.03423	0.7
69.07059	1.2
70.06581	1.5
71.25453	0.6
71.25781	0.7
73.53390	0.5
77.03921	0.6
79.05472	4.2
79.75602	0.5
81.07058	6.1
91.05473	47.5
92.05801	1.4
93.07030	3.9
95.04961	0.8
95.08614	3.6
96.80901	0.4
98.98460	10.7
103.05463	5.3
104.06253	1.2
105.07023	91.1
106.07378	2.0
107.04955	1.4
107.08578	2.4
115.05448	5.9
116.06256	7.1
116.07023	0.5
116.59206	0.5
117.07013	7.5
119.04980	0.7
119.08575	29.0
120.08904	1.0
121.06495	36.1
121.10143	0.6
122.06843	1.2
123.59335	0.4
127.05434	1.0
128.04803	0.5
128.05243	1.0
128.06216	30.3
129.06998	100.0
130.07384	3.1
131.04910	1.0
131.08560	37.0
132.05696	1.9
132.08914	1.4
133.06485	3.9
133.09113	0.7
133.10114	13.5
141.06967	4.2
142.07770	41.7
143.08125	1.4
145.06458	7.1
145.10123	2.3
146.07239	1.4
147.04456	0.6
147.08043	25.6
147.11681	5.9
148.08420	0.9
153.05704	0.5
155.06033	3.3
155.08516	0.7
157.06517	7.5
157.10121	45.4
158.06943	0.6
158.10452	1.8
159.08070	1.0
160.05191	1.3
160.08836	2.6
162.06152	0.7
175.07544	41.7
175.11166	36.9
175.14784	12.0
176.07915	1.5
176.11530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05505	6.8
56.96558	0.8
57.03435	1.2
59.05005	1.4
60.40018	0.4
64.08902	0.4
65.03937	0.5
67.05506	3.1
69.82001	2.5
71.06120	0.5
71.08634	1.0
72.93803	1.1
76.02219	1.0
76.21545	0.5
77.03928	0.5
79.05489	3.1
81.03419	1.1
81.07055	4.1
83.04980	6.3
84.02110	0.6
85.02917	0.5
87.04482	0.6
87.42471	0.5
89.02386	0.8
89.03922	0.8
90.90382	0.7
90.94824	1.1
91.05478	21.5
92.05822	0.6
93.07033	2.3
95.04958	0.5
95.08614	0.7
96.04485	0.8
96.57928	0.4
99.04444	0.7
101.06013	5.8
103.03291	2.5
103.05463	1.3
105.07029	15.9
107.04980	0.5
107.08572	0.8
111.04435	7.2
112.04768	0.5
113.05987	0.9
114.05536	0.8
115.05451	18.2
116.06274	3.9
117.07015	20.2
118.07342	1.1
119.08581	12.1
127.05443	0.8
127.07534	1.2
128.06215	7.1
128.07106	0.8
129.05554	3.6
129.07010	15.1
130.06947	0.7
130.07791	5.9
130.44771	0.4
131.08560	91.1
132.08055	0.6
132.08896	2.5
133.10118	1.9
141.07037	0.6
142.07748	0.8
143.08559	22.4
144.09360	8.2
145.06480	38.6
145.10118	41.1
146.06824	1.7
146.10461	1.3
149.94029	0.5
153.06975	0.7
155.03409	0.7
155.04935	0.7
155.05981	1.5
155.07043	4.7
155.08539	2.9
156.09343	1.2
157.10118	0.8
158.07306	4.4
158.10912	30.2
159.11693	2.3
171.11655	2.9
173.02373	2.3
173.04456	6.6
173.05971	12.5
173.08295	8.2
173.09645	12.8
173.13254	100.0
174.05385	0.5
174.13705	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	175.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.01860	2.7
55.05506	6.2
56.96553	5.8
60.05635	4.0
60.79759	1.1
61.02918	1.7
65.03935	2.1
67.05505	6.8
69.03432	1.1
69.07069	7.2
69.31091	13.0
70.06593	8.6
71.72353	1.5
73.02911	1.7
77.03909	1.5
79.05485	11.0
81.07056	23.3
83.08622	2.0
83.72118	1.1
91.05476	96.7
92.05821	2.4
93.07041	15.6
95.04955	3.6
95.08591	13.3
98.98461	22.5
103.05463	6.5
104.06240	1.5
105.07024	66.0
107.04956	3.8
107.08586	10.3
109.73778	1.1
115.03149	2.1
115.03928	30.8
115.05431	11.2
116.06253	17.7
116.07077	3.8
117.07041	13.8
119.04932	2.4
119.08574	72.7
121.06497	65.7
121.10130	1.5
122.06823	1.5
127.05499	1.6
128.06215	27.7
129.06999	100.0
130.07266	2.6
131.04909	2.0
131.08563	68.2
132.05638	2.8
132.08920	2.6
133.06488	7.7
133.10124	36.4
141.03856	2.0
141.06981	3.1
142.07777	20.4
143.91631	1.3
145.06488	10.0
145.10063	6.8
146.07225	2.2
146.10875	1.7
147.04362	2.0
147.06909	2.3
147.08035	30.5
147.10634	1.6
147.11687	18.8
155.06036	3.1
157.06483	21.6
157.08902	2.0
157.10107	23.3
158.10587	1.0
159.07964	1.2
160.05168	3.8
160.08812	5.9
160.12558	1.6
160.31754	1.1
162.06221	2.4
175.07549	68.4
175.11157	45.2
175.14833	39.7
175.15987	0.7
176.07941	1.8
178.04277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.80171	0.5
53.03931	1.2
55.05511	5.5
56.96556	3.3
60.02407	0.5
65.03938	0.7
67.05499	4.7
69.03416	0.7
69.07069	0.6
69.66090	4.3
72.93758	0.6
77.03900	1.0
79.05064	0.8
79.05486	8.6
81.07057	9.4
83.04964	4.5
89.03938	0.9
91.05479	19.5
93.07044	8.3
95.04977	1.0
95.08591	1.7
101.06022	3.7
103.05450	1.2
105.07026	20.7
107.08559	2.7
111.04440	5.0
113.03280	0.5
113.05972	0.7
115.05448	8.1
116.06229	2.5
117.07016	36.9
118.07301	1.1
119.04926	0.8
119.08580	16.6
127.07552	0.8
128.06239	2.7
128.07016	0.6
129.05501	1.0
129.07004	10.9
130.07799	5.0
131.08560	71.0
132.08955	1.9
133.10158	1.0
134.04988	0.5
135.62073	0.6
143.08559	9.2
144.09338	5.4
145.06480	7.0
145.08464	2.7
145.10118	49.1
146.10489	1.3
153.06934	0.9
155.05933	0.9
155.07024	2.8
155.08418	3.1
156.09317	0.9
158.07301	3.2
158.10913	8.4
161.05392	1.0
170.05902	0.7
171.11716	1.2
173.02361	8.7
173.04424	2.1
173.05806	4.0
173.08128	7.9
173.09645	9.9
173.13255	100.0
174.13661	3.9
187.11000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03920	1.5
55.01855	0.9
55.05512	6.9
56.96575	3.5
57.07054	0.8
59.04982	0.9
65.03913	0.9
66.61410	0.5
67.05504	5.0
69.07050	0.8
70.01891	1.3
70.02297	1.9
70.06540	0.6
71.06079	0.8
72.93771	0.7
73.00643	0.5
76.02187	0.8
76.20057	0.6
77.03905	0.7
79.05490	9.1
81.03400	0.9
81.07052	11.0
83.04970	4.5
90.94802	0.7
91.05476	35.2
93.07039	7.2
95.04958	1.9
95.08576	1.6
96.04539	0.5
98.97598	0.6
99.04428	0.8
101.06010	4.0
103.03288	1.4
103.05450	4.2
105.07026	28.7
107.08619	2.8
111.04416	5.3
111.04999	0.5
113.06004	0.9
114.05495	0.7
115.05448	25.3
116.06282	6.5
116.98643	0.9
117.07015	48.3
118.07321	0.6
119.07774	1.0
119.08575	12.9
127.03915	1.1
127.05444	1.6
127.07551	1.3
128.06213	18.3
129.05470	2.4
129.07004	28.9
130.07823	11.3
131.08562	100.0
132.08844	3.1
133.10135	1.7
134.99640	0.7
136.76736	0.5
142.07797	0.9
142.91351	0.7
143.08560	16.3
144.05753	1.5
144.09338	9.4
145.06476	43.9
145.10117	64.7
146.06841	1.3
146.10492	2.5
153.06992	1.3
154.07809	0.8
155.03645	0.8
155.04939	2.5
155.06029	2.7
155.07085	3.6
155.08577	6.2
156.09369	1.0
157.06537	0.9
158.07301	8.4
158.10905	15.5
171.08070	1.2
171.11720	2.2
173.02365	1.3
173.04518	4.7
173.05957	22.0
173.08319	5.2
173.09662	25.9
173.13254	95.8
174.06401	1.1
174.09999	1.0
174.13710	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03928	0.5
55.05505	5.8
59.04989	1.2
67.05496	2.6
69.03426	0.6
70.06554	0.4
70.78291	1.5
71.04993	0.7
72.93791	2.0
79.05502	1.0
81.07045	1.0
83.04974	5.7
85.02885	0.8
85.06569	0.4
87.04458	0.7
90.94811	1.0
91.05466	5.2
97.02877	1.2
99.04437	0.5
100.11250	0.6
101.06011	4.4
102.38689	0.4
103.03291	0.5
105.07011	6.1
109.17296	0.4
111.04429	7.1
113.05945	0.5
114.05508	1.2
115.05428	2.2
116.06233	1.0
117.07005	4.4
119.08572	14.0
127.07547	1.0
128.06174	1.6
129.05530	2.6
129.06995	6.3
130.07819	2.2
131.08556	36.6
132.08929	0.9
133.10114	3.2
136.62166	0.4
141.07043	0.7
142.07729	1.1
143.08548	23.8
144.09331	5.6
145.06497	2.3
145.10110	22.4
145.11276	0.9
146.10474	0.8
149.96062	0.9
150.96890	0.5
155.07030	4.9
155.08302	0.7
156.09343	1.2
157.10132	1.2
158.07300	1.4
158.10899	42.4
159.11238	0.9
171.11684	2.6
173.02245	0.7
173.04469	3.0
173.05948	2.0
173.08243	6.6
173.09692	2.6
173.13246	100.0
174.07692	1.0
174.13631	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03928	0.4
55.05508	2.4
56.96553	0.6
67.05514	2.9
70.97762	1.1
72.32970	0.4
79.05483	1.3
81.07048	1.7
83.04961	1.9
83.88764	0.4
90.59920	0.4
91.05475	10.6
93.07067	0.5
95.04977	0.6
98.97584	0.5
101.06022	1.6
103.03281	0.7
103.05447	0.6
105.07023	10.1
111.04442	2.3
114.21215	0.4
115.05450	5.8
116.06258	2.5
117.07013	7.4
119.08574	17.2
120.08896	0.7
122.84617	0.4
128.06209	2.9
129.05521	0.8
129.07002	9.5
130.07805	3.1
131.08560	59.7
132.08900	1.5
133.10123	2.6
134.99597	0.4
141.06932	0.6
142.07816	0.9
143.07626	0.4
143.08553	21.5
144.09348	9.3
145.06479	11.1
145.10115	33.4
146.10452	1.2
155.07039	1.0
155.08394	0.4
156.09351	2.0
157.10118	1.6
158.07275	1.3
158.10905	35.0
159.11266	1.7
171.11667	2.5
173.02313	0.5
173.04466	2.0
173.05969	3.5
173.08235	2.3
173.09668	3.4
173.13252	100.0
174.10085	0.4
174.13667	3.5
192.85916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05506	6.5
57.03440	0.5
59.04995	1.0
67.01876	0.3
67.05499	2.7
68.05058	0.4
68.94196	0.2
69.52529	2.1
70.21318	0.2
71.04994	0.7
71.06124	0.5
72.00424	0.3
72.93785	1.8
72.94138	0.3
73.65723	0.3
76.02227	0.6
77.03952	0.4
79.05489	1.3
81.03425	0.3
81.07068	1.7
81.76478	0.3
83.04974	6.3
83.05441	0.4
84.02103	0.3
84.04493	0.4
84.86716	0.3
85.02906	0.6
85.06561	0.3
87.04459	0.6
89.02406	0.4
90.28708	0.3
90.94825	1.1
90.96033	0.2
91.05469	6.7
93.07062	0.6
95.04917	0.4
95.08591	0.3
97.02885	1.0
98.21492	0.6
99.04444	0.9
101.06004	4.5
102.04693	0.4
103.03261	1.3
103.05450	0.9
105.07023	6.8
108.95874	0.4
111.04437	7.1
113.02362	0.5
113.06009	0.6
114.03172	0.3
114.05508	1.0
115.05457	5.3
116.06235	1.3
117.07015	7.3
118.86081	0.3
119.08571	12.7
127.05444	0.6
127.07552	0.7
128.06207	2.0
128.07066	0.3
128.63655	0.3
129.05501	3.1
129.06999	5.3
130.07791	3.1
131.08559	37.4
132.08893	0.8
133.10103	3.2
141.06949	0.5
142.07774	1.3
143.08553	22.5
144.05678	0.5
144.09352	5.6
145.05374	0.4
145.06473	6.3
145.10114	22.6
146.06931	0.3
146.10463	0.7
149.96118	0.5
150.96916	0.4
153.06955	0.3
155.03423	0.4
155.04967	0.3
155.06018	0.5
155.07031	4.4
155.08508	1.0
156.09323	1.4
157.10146	1.5
158.07376	1.5
158.10901	39.8
159.11285	1.3
167.97160	0.8
171.11708	2.5
173.02391	2.2
173.04454	2.9
173.05960	4.9
173.08167	6.5
173.09665	3.7
173.13248	100.0
174.05399	0.4
174.08846	0.4
174.13618	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	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03949	1.1
55.05502	1.2
57.07064	0.5
57.31781	0.4
60.30455	0.4
63.70397	0.4
64.92862	0.4
65.03923	0.9
67.05492	3.1
71.16191	0.9
79.05484	3.8
80.16241	0.5
81.07061	6.5
81.93925	0.5
85.97147	0.4
91.05477	35.3
92.05800	1.2
93.07041	4.1
95.04971	0.7
95.08612	0.7
102.04692	0.6
103.05450	2.9
103.22576	0.4
105.07031	21.6
106.07335	0.8
107.08603	1.1
115.05450	34.2
116.06285	6.3
117.07019	35.8
118.07319	0.9
119.08575	7.7
127.05466	1.3
128.06223	17.3
129.07008	27.5
130.07826	8.2
131.08563	100.0
132.08856	3.6
133.10114	1.2
141.07030	0.6
142.07741	0.8
143.08553	12.7
144.05649	0.8
144.09361	8.2
145.06480	81.8
145.10118	46.8
146.06786	3.4
146.10475	2.1
153.06973	1.0
154.07689	0.4
155.04909	2.5
155.06042	3.2
155.08563	3.5
156.09332	1.5
157.10100	0.8
158.03618	0.5
158.07283	5.9
158.10909	11.7
170.69614	0.6
171.11726	1.3
172.68993	0.5
173.04840	0.6
173.05986	23.3
173.09653	16.4
173.13258	61.9
174.06300	1.4
174.09988	1.2
174.13580	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03942	1.0
54.24807	0.5
55.05505	0.9
60.27154	0.5
65.03906	1.0
67.05510	2.8
69.01432	0.5
69.92968	2.3
79.05493	4.1
81.07047	7.1
81.90041	0.5
87.62697	0.5
91.05477	35.8
92.05821	0.8
93.07037	5.0
95.04955	0.9
95.08598	0.8
95.16118	0.5
102.04684	0.8
103.05482	3.6
105.04530	0.5
105.07027	22.3
106.07374	0.6
107.08595	1.5
115.05450	39.1
116.06271	6.1
117.07014	39.1
118.07296	1.1
119.08582	9.5
127.05449	2.7
128.05254	0.6
128.06218	19.0
129.07007	29.0
130.07829	7.2
131.08560	100.0
132.08839	2.9
133.06516	0.7
133.10106	2.7
142.07806	0.7
143.08557	14.6
144.09346	8.7
145.06476	93.1
145.10115	54.1
146.06854	4.0
146.10422	1.6
153.06947	0.7
155.05042	3.5
155.06053	3.4
155.08519	2.9
156.09305	1.1
157.10127	0.8
158.07306	4.9
158.10899	13.1
171.11655	1.5
173.05977	28.7
173.09637	17.9
173.13252	66.7
174.06291	1.0
174.13614	3.0
191.07098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03959	1.1
55.05514	6.0
57.03436	0.8
57.07075	1.3
59.05003	1.3
65.03927	0.5
67.05503	3.7
69.52719	3.0
69.53135	1.4
71.04993	1.3
76.02244	0.6
79.05488	3.6
81.07057	4.5
83.04976	6.4
84.02140	0.7
85.02895	0.6
90.94869	0.6
91.05481	19.8
93.07056	3.1
95.04984	0.7
95.08632	1.5
99.04439	0.7
101.06033	4.0
103.03311	1.6
103.05497	1.0
105.07021	15.4
107.08614	0.6
111.04430	4.5
113.06019	0.9
115.05456	7.6
116.06274	3.5
117.07017	18.5
117.07848	1.1
119.08581	11.5
127.07587	0.7
128.06219	3.2
129.05470	2.1
129.07005	12.9
130.07806	4.4
131.08563	100.0
132.08847	2.6
133.10164	1.4
142.07785	0.6
143.08560	15.2
144.09351	7.0
145.06485	11.5
145.10124	35.5
146.10512	0.7
155.03317	0.9
155.07028	3.9
155.08493	1.2
157.10149	0.6
158.07333	2.4
158.10913	17.7
158.12231	0.9
159.11400	0.5
171.11699	2.7
173.04471	7.7
173.05992	4.3
173.08296	4.9
173.09676	5.2
173.13254	89.7
174.07602	0.7
174.13751	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	171.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03947	0.5
55.01873	0.5
55.05516	2.4
57.65148	0.4
57.82839	0.4
65.03934	0.8
67.05517	0.4
69.07077	0.6
70.89359	0.9
70.89693	1.0
72.04520	2.5
79.05482	3.1
83.08604	0.7
89.07169	1.7
91.05472	4.5
93.07046	1.0
95.04970	0.7
103.05472	2.7
105.07029	5.8
111.04424	0.5
115.05435	8.7
117.07014	1.9
119.26737	0.5
127.05446	1.5
128.06216	100.0
129.07030	25.9
130.07811	3.9
131.08609	2.0
137.03247	0.5
141.06982	15.3
142.07785	11.7
143.08554	85.3
144.08885	3.4
145.06493	6.5
152.06207	2.1
153.07042	2.0
154.07765	0.9
155.06035	5.4
155.08534	3.1
156.09346	36.0
157.06511	0.6
157.09682	1.8
169.10141	0.5
171.08046	69.4
171.11682	57.0
171.14847	1.7
172.08459	3.7
172.12097	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	173.0962
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03951	1.3
55.01892	0.8
55.05510	3.8
56.96576	2.1
59.05013	0.7
65.03937	1.0
67.05501	4.7
70.00928	1.9
70.01345	1.7
79.05492	4.7
81.03401	3.9
81.07049	6.7
83.04975	3.4
84.90531	0.7
89.03899	0.7
90.94822	0.8
91.05479	42.5
92.05800	1.3
93.07032	4.8
95.04962	2.5
95.08595	0.7
101.06033	2.6
102.04670	0.9
103.03307	1.0
103.05455	4.7
105.03407	1.0
105.07029	46.9
106.07365	1.5
107.04947	0.9
107.08578	1.0
111.04433	5.9
115.05453	43.2
116.06290	8.0
117.07016	60.4
117.97409	0.7
118.07301	0.8
119.08583	9.6
127.05483	2.1
127.07463	0.8
128.06213	20.1
129.07010	31.5
130.06860	1.5
130.07796	27.1
130.08759	1.4
131.04906	3.0
131.08565	98.0
132.05704	0.8
132.08904	2.6
133.06482	0.8
133.10168	1.4
141.06984	0.9
142.07779	1.4
143.08560	25.2
144.05762	4.7
144.09380	9.9
145.06479	100.0
145.10120	88.4
146.06827	2.8
146.10460	3.0
153.07025	3.7
154.07709	1.1
155.04924	1.4
155.06013	3.9
155.07085	2.1
155.08546	21.4
156.09180	0.9
157.06480	2.0
157.10046	0.9
158.07275	17.2
158.10924	13.5
171.07983	1.0
171.11739	1.6
173.02240	1.0
173.04488	3.4
173.05972	30.7
173.08360	4.4
173.09642	58.8
173.13258	67.0
174.06288	1.4
174.09973	2.5
174.13585	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	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05266	0.7
55.05509	8.9
56.96561	3.0
57.03425	0.5
59.04990	1.6
60.04516	0.4
62.71479	0.4
65.03960	0.5
66.18185	0.4
66.95042	0.4
67.05495	3.7
69.03417	0.6
69.07058	1.1
70.06579	0.7
70.54342	1.6
70.54758	0.7
71.04978	0.7
71.06102	0.5
72.93789	1.4
73.06557	0.4
76.02218	0.8
77.73089	0.4
79.05490	1.8
81.07048	4.2
83.04986	7.7
84.04482	0.6
85.02882	0.8
85.06520	0.6
87.04453	1.0
89.02376	0.5
90.94810	1.2
91.05477	10.5
93.07030	2.5
93.36250	0.4
93.36932	0.4
95.04950	0.4
95.08589	0.9
96.04491	0.4
97.02891	0.6
99.04455	0.6
101.06017	6.3
103.03275	1.3
103.05493	0.9
105.07029	11.5
107.08597	0.7
108.95854	0.6
111.04443	9.3
113.06013	1.1
114.05511	1.5
115.05450	5.1
116.06277	2.2
116.06912	0.5
117.07017	10.9
119.08580	15.5
120.08875	0.7
127.05484	0.6
127.07529	1.2
128.06203	3.6
129.05521	3.9
129.06985	8.7
130.07819	3.3
131.08562	54.7
132.08957	0.8
133.10118	2.6
141.07021	0.5
142.07776	1.2
143.08557	21.7
144.09348	6.0
145.06509	5.3
145.10120	32.1
146.04886	0.7
146.05917	0.6
146.10439	1.3
149.96059	0.5
150.96875	0.7
153.06949	0.6
155.03424	0.5
155.07027	6.2
155.08531	2.3
156.09360	2.0
157.10089	0.9
158.07361	2.6
158.10905	33.9
159.11278	0.9
161.05371	0.5
167.97218	0.6
171.11707	2.1
173.02345	1.9
173.04463	2.0
173.05983	6.5
173.08167	9.0
173.09669	6.0
173.13257	100.0
174.07668	0.6
174.13681	3.7
193.30005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.02379	0.4
53.03938	0.5
54.93106	0.3
55.05511	2.3
62.88213	0.3
63.02380	0.3
65.03934	0.5
70.27744	0.7
70.28144	0.7
72.04507	1.2
77.03924	0.4
79.05493	5.3
80.05825	0.3
89.07158	0.9
90.30515	0.3
91.05479	6.2
93.07054	1.6
95.04984	1.0
103.05486	1.8
105.07024	10.4
111.04469	0.5
115.05444	8.2
116.05727	0.4
117.07020	2.4
127.05450	0.7
128.06219	64.7
129.07019	38.2
129.08054	0.6
130.07813	9.2
131.08575	5.0
132.70300	0.3
141.06984	20.3
142.07784	17.2
143.08556	91.6
144.08902	4.0
145.06488	3.6
152.06189	1.3
153.06995	1.8
154.07761	0.7
155.06017	4.1
155.08537	4.0
156.09348	47.7
157.09711	2.5
169.06517	0.4
169.10091	1.7
171.08061	37.7
171.11682	100.0
172.08383	1.8
172.12019	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	173.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01892	0.8
55.05510	3.8
56.96576	2.1
59.05013	0.7
65.03937	1.0
67.05501	4.7
70.00928	1.9
70.01345	1.7
79.05492	4.7
81.03401	3.9
81.07049	6.7
83.04975	3.4
84.90531	0.7
89.03899	0.7
90.94822	0.8
91.05479	42.5
92.05800	1.3
93.07032	4.8
95.04962	2.5
95.08595	0.7
101.06033	2.6
102.04670	0.9
103.03307	1.0
103.05455	4.7
105.03407	1.0
105.07029	46.9
106.07365	1.5
107.04947	0.9
107.08578	1.0
111.04433	5.9
115.05453	43.2
116.06290	8.0
117.07016	60.4
117.97409	0.7
118.07301	0.8
119.08583	9.6
127.05483	2.1
127.07463	0.8
128.06213	20.1
129.07010	31.5
130.06860	1.5
130.07796	27.1
130.08759	1.4
131.04906	3.0
131.08565	98.0
132.05704	0.8
132.08904	2.6
133.06482	0.8
133.10168	1.4
141.06984	0.9
142.07779	1.4
143.08560	25.2
144.05762	4.7
144.09380	9.9
145.06479	100.0
145.10120	88.4
146.06827	2.8
146.10460	3.0
153.07025	3.7
154.07709	1.1
155.04924	1.4
155.06013	3.9
155.07085	2.1
155.08546	21.4
156.09180	0.9
157.06480	2.0
157.10046	0.9
158.07275	17.2
158.10924	13.5
171.07983	1.0
171.11739	1.6
173.02240	1.0
173.04488	3.4
173.05972	30.7
173.08360	4.4
173.09642	58.8
173.13258	67.0
174.06288	1.4
174.09973	2.5
174.13585	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	173.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01892	0.8
55.05510	3.8
56.96576	2.1
59.05013	0.7
65.03937	1.0
67.05501	4.7
70.00928	1.9
70.01345	1.7
79.05492	4.7
81.03401	3.9
81.07049	6.7
83.04975	3.4
84.90531	0.7
89.03899	0.7
90.94822	0.8
91.05479	42.5
92.05800	1.3
93.07032	4.8
95.04962	2.5
95.08595	0.7
101.06033	2.6
102.04670	0.9
103.03307	1.0
103.05455	4.7
105.03407	1.0
105.07029	46.9
106.07365	1.5
107.04947	0.9
107.08578	1.0
111.04433	5.9
115.05453	43.2
116.06290	8.0
117.07016	60.4
117.97409	0.7
118.07301	0.8
119.08583	9.6
127.05483	2.1
127.07463	0.8
128.06213	20.1
129.07010	31.5
130.06860	1.5
130.07796	27.1
130.08759	1.4
131.04906	3.0
131.08565	98.0
132.05704	0.8
132.08904	2.6
133.06482	0.8
133.10168	1.4
141.06984	0.9
142.07779	1.4
143.08560	25.2
144.05762	4.7
144.09380	9.9
145.06479	100.0
145.10120	88.4
146.06827	2.8
146.10460	3.0
153.07025	3.7
154.07709	1.1
155.04924	1.4
155.06013	3.9
155.07085	2.1
155.08546	21.4
156.09180	0.9
157.06480	2.0
157.10046	0.9
158.07275	17.2
158.10924	13.5
171.07983	1.0
171.11739	1.6
173.02240	1.0
173.04488	3.4
173.05972	30.7
173.08360	4.4
173.09642	58.8
173.13258	67.0
174.06288	1.4
174.09973	2.5
174.13585	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67115	0.4
53.03951	0.8
55.01873	2.0
55.05513	5.8
57.03434	4.5
58.06600	0.5
63.76347	0.4
65.03937	4.9
67.05505	52.2
68.05848	0.5
68.99793	0.6
69.03422	2.1
69.07070	2.8
70.06596	0.8
70.94244	0.4
71.04994	1.7
71.11050	0.8
72.04519	3.6
72.08141	1.4
73.02908	3.8
74.74788	0.4
79.05493	34.9
80.05818	0.6
81.03422	0.5
81.07056	28.1
82.07379	0.8
83.04983	8.8
83.08617	1.8
84.08171	0.5
86.09699	1.1
89.07151	3.0
91.05482	6.5
93.03399	4.8
93.07038	2.6
95.04984	1.0
95.08615	1.0
97.02905	0.5
97.06532	1.9
97.10155	1.0
99.30410	0.5
104.03452	1.1
104.54865	0.4
105.07036	4.2
107.04965	1.1
107.08594	100.0
108.08916	3.7
109.02855	0.7
109.06532	2.5
109.07647	0.7
109.10159	12.6
111.04440	40.2
111.08092	1.9
111.09195	0.9
112.04839	0.6
112.07607	0.6
115.05436	1.2
117.07019	1.2
119.06084	0.8
125.06001	0.7
125.09634	11.4
128.06233	3.0
129.07040	2.2
132.42642	0.4
135.08038	6.3
139.03906	6.8
141.07002	4.2
142.07785	2.0
143.06033	0.6
143.08575	6.8
145.01532	0.5
153.09103	45.1
154.09482	1.6
155.03419	0.5
155.08566	1.2
156.03709	0.7
156.09351	22.9
157.01385	0.5
157.09764	0.8
171.02982	0.8
171.06587	0.7
171.07986	1.5
171.10181	13.2
171.11711	16.0
171.14905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.02387	0.4
53.03947	0.5
55.01873	0.5
55.05516	2.4
57.65148	0.4
57.82839	0.4
65.03934	0.8
67.05517	0.4
69.07077	0.6
70.89359	0.9
70.89693	1.0
72.04520	2.5
79.05482	3.1
83.08604	0.7
89.07169	1.7
91.05472	4.5
93.07046	1.0
95.04970	0.7
103.05472	2.7
105.07029	5.8
111.04424	0.5
115.05435	8.7
117.07014	1.9
119.26737	0.5
127.05446	1.5
128.06216	100.0
129.07030	25.9
130.07811	3.9
131.08609	2.0
137.03247	0.5
141.06982	15.3
142.07785	11.7
143.08554	85.3
144.08885	3.4
145.06493	6.5
152.06207	2.1
153.07042	2.0
154.07765	0.9
155.06035	5.4
155.08534	3.1
156.09346	36.0
157.06511	0.6
157.09682	1.8
169.10141	0.5
171.08046	69.4
171.11682	57.0
171.14847	1.7
172.08459	3.7
172.12097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.72802	0.4
55.05500	2.6
55.54945	0.4
65.03938	0.8
67.05483	0.8
69.75697	2.9
70.94215	0.5
72.04512	3.0
75.12537	0.4
79.05493	4.5
83.08607	1.3
89.07143	2.1
91.05473	6.6
93.07041	1.3
95.04942	1.3
103.05453	3.1
105.07025	8.4
115.05446	9.6
117.07004	3.6
127.05437	1.7
128.06215	100.0
129.07022	35.1
130.07819	7.3
131.08592	4.4
136.44804	0.5
141.06982	18.6
142.07782	14.5
143.08554	92.9
144.08871	4.4
145.06485	6.9
152.06197	2.2
153.06970	2.4
154.07690	1.0
155.06032	4.6
155.08551	3.6
156.09348	41.0
157.06560	0.6
157.09698	1.9
169.10130	1.9
171.08046	50.2
171.11678	80.1
172.08450	3.0
172.11998	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.26702	0.5
51.59572	0.5
55.01900	0.6
55.05508	1.0
61.86957	0.5
62.03508	0.5
63.02391	0.7
71.64392	0.6
72.04518	0.6
76.13876	0.5
79.05495	2.0
82.92919	0.5
91.05476	2.7
95.04990	0.5
103.05448	2.4
105.07021	3.1
108.13593	0.5
115.05445	9.5
117.07021	15.5
118.07366	0.5
126.19056	0.5
127.05527	1.4
128.06221	90.3
128.14960	0.5
129.07063	13.1
130.07794	1.8
131.08574	1.4
141.06987	31.2
142.07793	24.2
143.08557	100.0
144.08913	4.4
145.06493	6.2
152.06207	1.0
153.07013	3.0
154.07820	0.8
155.06017	5.1
155.08537	6.5
156.09344	97.5
157.09677	4.1
169.10072	0.9
171.08076	13.8
171.11687	95.8
172.08516	0.7
172.12022	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	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67115	0.4
53.03951	0.8
55.01873	2.0
55.05513	5.8
57.03434	4.5
58.06600	0.5
63.76347	0.4
65.03937	4.9
67.05505	52.2
68.05848	0.5
68.99793	0.6
69.03422	2.1
69.07070	2.8
70.06596	0.8
70.94244	0.4
71.04994	1.7
71.11050	0.8
72.04519	3.6
72.08141	1.4
73.02908	3.8
74.74788	0.4
79.05493	34.9
80.05818	0.6
81.03422	0.5
81.07056	28.1
82.07379	0.8
83.04983	8.8
83.08617	1.8
84.08171	0.5
86.09699	1.1
89.07151	3.0
91.05482	6.5
93.03399	4.8
93.07038	2.6
95.04984	1.0
95.08615	1.0
97.02905	0.5
97.06532	1.9
97.10155	1.0
99.30410	0.5
104.03452	1.1
104.54865	0.4
105.07036	4.2
107.04965	1.1
107.08594	100.0
108.08916	3.7
109.02855	0.7
109.06532	2.5
109.07647	0.7
109.10159	12.6
111.04440	40.2
111.08092	1.9
111.09195	0.9
112.04839	0.6
112.07607	0.6
115.05436	1.2
117.07019	1.2
119.06084	0.8
125.06001	0.7
125.09634	11.4
128.06233	3.0
129.07040	2.2
132.42642	0.4
135.08038	6.3
139.03906	6.8
141.07002	4.2
142.07785	2.0
143.06033	0.6
143.08575	6.8
145.01532	0.5
153.09103	45.1
154.09482	1.6
155.03419	0.5
155.08566	1.2
156.03709	0.7
156.09351	22.9
157.01385	0.5
157.09764	0.8
171.02982	0.8
171.06587	0.7
171.07986	1.5
171.10181	13.2
171.11711	16.0
171.14905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03943	1.0
55.01878	3.3
55.05504	6.7
56.96582	0.6
57.03431	4.8
59.04995	1.1
59.06112	0.5
65.03936	6.0
67.05499	71.2
68.05838	1.3
68.99780	0.8
69.03427	2.3
69.07063	2.7
70.06579	0.5
70.42526	0.9
70.42913	0.9
71.04987	1.7
72.04510	5.2
73.02905	9.2
79.05486	44.9
80.05821	1.0
81.03417	0.6
81.07050	43.7
82.07368	1.0
83.04974	12.2
83.08607	2.0
85.02917	0.4
86.09709	1.7
87.04481	0.5
89.07168	3.5
91.05469	7.2
91.21949	0.5
93.03396	5.9
93.07033	4.9
95.04966	1.3
95.08608	0.9
96.02104	0.5
97.02866	0.9
97.06523	2.2
97.10151	1.5
103.05442	0.5
104.03444	0.6
105.07028	4.8
107.04929	1.8
107.08585	100.0
107.35117	0.5
108.08909	2.5
109.06494	3.4
109.10145	20.8
111.04432	50.8
111.08070	2.3
111.09167	0.8
112.04739	0.7
112.07581	0.6
115.05425	1.5
116.03402	0.7
117.07024	3.6
119.06018	0.6
123.72759	0.5
125.02326	0.6
125.05964	1.2
125.07035	0.6
125.09621	12.3
127.03952	0.5
128.06221	8.4
129.07010	2.4
135.08040	9.9
135.11742	0.6
139.00189	0.5
139.03883	5.3
141.06963	3.3
142.07776	1.2
143.06024	0.5
143.08549	9.0
144.08012	0.9
145.06467	0.6
153.09091	51.8
154.09456	1.6
155.08485	1.0
156.03758	1.1
156.09329	12.7
157.09708	0.6
167.23347	0.5
171.02863	0.7
171.06450	2.1
171.07982	2.9
171.10124	27.2
171.11644	9.3
171.14853	2.3
172.10594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0803
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
50.01598	0.2
55.01868	0.5
55.05502	0.5
60.34709	0.2
63.02370	0.2
65.03935	0.5
71.28783	0.4
72.04507	0.4
77.29202	0.2
79.05486	0.5
89.07142	0.5
91.05469	2.5
97.87576	0.2
100.00402	0.2
102.04704	0.2
103.05451	2.3
105.07026	0.7
115.05444	10.6
117.07008	27.0
118.07336	0.7
127.05423	1.3
128.06212	100.0
129.06941	3.5
130.07721	0.3
138.17630	0.2
141.05948	0.4
141.06982	6.1
142.07777	3.0
143.08548	74.0
144.08890	3.0
145.06473	6.4
152.06218	1.5
153.06985	2.9
155.06020	6.0
155.08574	0.7
156.09352	6.9
169.06404	0.2
171.08038	20.0
171.11679	9.5
171.14920	0.4
172.08395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0804
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
50.84354	0.2
55.05507	1.2
57.03434	0.3
57.07074	0.5
65.03935	0.3
65.96523	0.2
67.05502	0.3
69.07061	1.8
70.07399	1.2
71.08654	0.2
71.65790	0.3
72.04508	2.2
72.08965	0.3
79.05492	0.7
80.05831	0.2
81.07061	0.5
82.07373	0.3
82.98291	0.2
83.08604	1.1
84.08959	0.2
89.07152	1.3
91.05491	0.8
94.07360	0.2
96.08936	0.3
97.06525	0.7
98.06840	0.4
100.07595	0.3
100.72081	0.2
101.07954	0.3
102.04736	0.2
103.05468	1.6
105.07030	0.7
108.08905	0.4
111.04432	0.4
112.08399	0.5
112.12020	0.3
114.09167	0.2
115.05447	3.9
115.09483	0.4
117.07016	0.7
127.05444	0.7
128.06216	75.4
129.06943	2.8
130.07727	0.3
131.04861	0.3
136.12010	1.1
139.03899	0.4
141.06982	5.4
142.07793	2.9
143.08554	100.0
144.08891	3.7
145.06479	4.9
152.06177	0.8
153.06990	0.6
154.13063	0.8
155.06038	4.1
155.08546	0.7
156.09352	8.9
169.06421	0.2
169.10120	0.3
171.08043	30.3
171.11690	9.5
171.14893	0.7
172.08493	1.1
172.12134	0.2
182.80240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0804
Annotation	4-Hydroxybiphenyl
Peak:m/z	Relative Intensity
51.02406	0.2
52.71422	0.2
60.54735	0.3
65.03954	0.4
69.62397	0.2
71.38321	0.6
72.04543	0.5
79.05482	0.7
80.08215	0.2
91.05470	1.3
95.04958	0.3
103.05463	2.7
105.07043	1.0
110.08755	0.2
110.45300	0.3
115.05446	6.8
116.05798	0.3
117.07014	2.2
125.61359	0.3
127.05470	1.9
128.06218	100.0
129.06955	3.4
130.07787	0.3
141.06989	9.0
142.07788	4.8
143.08554	93.5
144.08897	4.0
145.06479	6.7
152.06163	0.8
153.06949	1.3
155.06036	6.1
155.08569	1.4
156.09352	16.5
157.09805	0.5
161.09619	0.7
169.06485	0.4
170.10625	0.3
171.08040	45.3
171.11670	14.6
172.08420	2.1
172.12218	0.5
175.16547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
53.03937	2.0
55.01865	3.7
55.05505	6.1
55.22115	0.5
56.05030	1.1
56.96571	2.6
57.03425	1.1
58.06587	0.9
59.04996	1.4
60.04515	0.9
65.03947	2.7
67.05493	1.9
67.63905	0.4
68.05008	0.6
68.99772	2.1
69.03428	22.8
69.07058	2.1
70.06587	2.3
70.94248	1.7
71.04986	0.9
71.06090	0.6
71.26678	1.0
72.04515	11.7
72.08154	3.9
72.93781	2.1
73.02913	1.2
74.02433	0.6
75.05608	0.6
79.01849	2.9
79.05495	3.4
80.05011	0.6
81.03413	4.7
81.04473	0.8
81.07041	2.0
83.01342	4.3
83.04984	3.7
83.06094	1.4
83.08619	4.4
84.04495	0.6
84.08141	0.9
85.02886	0.9
85.06522	0.8
87.04487	1.0
88.95287	1.6
89.07152	7.8
90.94812	1.0
91.05482	1.2
93.07038	1.5
93.51125	0.5
94.06578	0.6
95.04964	1.2
96.05599	0.7
97.02888	41.6
97.06506	3.0
97.07640	1.1
98.03208	0.8
98.06061	1.0
98.97552	0.5
99.04451	1.6
101.02358	1.8
101.06018	0.5
102.09142	0.5
105.07024	0.8
106.96317	0.9
107.01305	1.1
107.04972	1.4
107.08576	1.8
109.06481	1.0
109.07644	0.8
109.10172	0.5
111.04450	11.3
111.05283	0.7
111.05574	1.1
111.06317	0.5
111.08073	1.1
111.09206	2.0
111.96887	0.5
112.05076	1.3
112.07610	1.0
113.05946	0.6
114.06624	0.9
115.05434	1.4
125.02350	100.0
125.05971	3.1
125.09624	1.1
126.02673	1.7
126.05564	0.9
126.06613	0.9
126.09135	1.2
126.10157	0.5
127.03854	0.5
128.06224	8.4
128.07118	0.7
129.06984	1.8
130.08632	1.6
135.04436	0.5
135.11734	0.5
139.00296	1.2
139.03894	5.5
141.07040	1.6
142.07768	1.2
143.03442	1.3
143.08548	9.4
145.06451	0.7
146.99643	0.6
147.96912	4.0
148.97435	0.8
153.01822	2.6
153.05481	2.5
153.09180	1.2
154.06123	0.7
154.09651	0.6
154.13350	0.6
155.08411	0.5
156.09360	6.1
157.01320	2.3
165.97961	3.9
166.54248	0.6
171.02898	10.3
171.06503	1.5
171.08075	4.7
171.10048	1.1
171.11597	7.1
171.14926	4.7
172.07297	0.7
172.09708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.02158	0.4
53.03939	1.8
53.50153	0.4
55.01870	6.6
55.05509	8.3
56.05040	0.7
56.96565	3.7
57.03423	0.8
57.04534	0.7
58.05312	0.4
58.06597	1.1
58.17422	0.4
59.06118	0.8
65.03938	27.0
67.05503	3.5
68.02649	0.6
68.05010	0.8
68.99791	11.2
69.03428	8.7
69.04536	0.8
69.07067	2.1
70.06590	4.1
70.94247	1.2
71.01332	1.1
71.04985	1.4
71.06093	0.4
71.63728	0.7
72.04144	0.6
72.04517	9.9
72.08150	1.8
72.54502	0.4
72.93779	1.7
73.02911	0.6
73.33644	0.4
75.05599	0.5
79.01848	1.4
79.05486	5.1
81.03415	5.8
81.04510	0.6
81.07040	3.6
82.06588	1.1
83.01343	1.7
83.04981	15.6
83.06080	1.2
83.08621	2.9
84.04498	1.3
84.08138	3.7
85.02903	1.2
85.04008	0.6
86.06061	0.8
86.09704	1.8
87.04459	1.0
88.07629	3.5
88.95310	0.8
89.07160	7.4
90.94851	0.6
91.05473	1.1
93.03388	5.7
93.07043	1.5
95.04971	1.6
95.08638	0.6
96.02107	1.4
96.05653	0.6
96.08125	0.6
97.02272	0.9
97.02888	14.2
97.06512	2.9
97.10134	0.5
98.06049	1.0
99.04447	1.0
99.05601	0.6
100.07613	1.4
101.02412	0.6
105.07064	0.4
107.04942	1.3
107.05978	0.5
107.08591	1.5
109.02908	0.6
109.06519	3.4
111.04435	100.0
111.08105	1.2
111.09207	1.7
112.04730	2.4
112.07643	0.7
113.07113	0.7
114.06680	0.8
115.03922	0.7
115.05447	1.3
116.98600	0.8
121.02852	1.8
121.03980	7.2
125.02348	23.2
125.05984	5.7
125.07021	1.0
125.07928	0.5
125.09637	0.7
126.02721	0.5
126.05526	0.6
126.09138	1.2
127.03911	0.8
127.07537	0.4
128.06218	8.3
128.98654	0.5
129.05409	0.4
129.06984	1.7
134.99669	0.5
139.00336	2.2
139.03896	97.0
140.04176	2.8
141.06989	1.6
142.07823	1.1
143.03371	0.7
143.06981	0.6
143.07391	0.7
143.08548	8.5
146.99574	0.8
147.96881	2.7
148.97462	0.4
149.01155	0.5
150.96941	0.4
153.01828	0.8
153.05501	3.2
153.09055	0.6
153.10170	0.5
154.06075	0.6
154.08574	0.7
155.06070	0.4
155.08485	0.6
156.03874	0.6
156.09334	7.0
157.01300	3.1
165.97951	2.0
171.02907	4.8
171.06508	7.3
171.08046	6.3
171.10139	1.0
171.11592	5.2
171.14922	5.0
172.09711	0.6
172.11018	0.5
173.61078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	1.3
55.05503	1.0
57.03452	0.3
59.06110	0.6
65.03930	1.1
67.05502	1.5
67.50699	0.3
68.99783	3.8
69.03412	0.7
69.07053	0.5
70.06588	0.5
71.04989	1.0
71.37236	0.5
72.08157	0.5
77.03914	0.3
79.05492	1.2
80.02642	0.3
81.03424	2.3
81.07045	2.1
83.04951	0.8
84.08149	0.4
85.02885	0.7
85.06549	0.3
91.05476	0.6
93.07035	0.8
94.06512	0.3
95.04970	0.8
95.08601	2.4
97.02904	1.1
97.06533	0.6
98.03673	2.7
99.04447	0.8
105.07032	0.6
107.08607	0.5
109.02216	0.5
109.02887	5.1
109.06522	1.2
109.07621	0.4
109.10126	0.5
110.06005	0.3
111.00799	27.1
111.04414	1.6
111.09212	1.7
112.01146	0.5
113.05985	0.3
123.04400	0.4
123.08056	2.7
123.11652	0.5
124.07580	0.4
124.08587	0.3
125.02326	0.7
125.06005	1.6
126.03128	33.3
127.03419	0.4
133.10072	0.3
137.02333	0.3
141.05457	100.0
142.05794	2.6
151.03859	0.5
151.07520	1.0
151.08664	0.6
151.11200	0.4
153.06973	0.3
154.02621	0.9
154.07764	1.2
155.03441	0.5
169.04961	38.7
169.09903	2.3
169.14275	0.3
170.05374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.00301	0.8
53.03930	3.8
53.30222	0.6
53.94506	0.6
55.01868	27.4
55.05504	10.5
57.03442	3.6
57.07074	0.9
59.06112	1.1
65.03934	14.2
67.05498	27.4
67.82976	0.6
68.05016	0.8
68.99783	6.8
69.03418	6.2
69.07061	7.2
70.06579	2.0
70.33208	1.4
70.33605	1.1
71.04986	11.1
72.08142	0.9
77.03941	0.6
77.12915	0.6
79.05483	28.0
81.03407	11.8
81.07050	51.0
83.04979	5.3
83.08598	1.4
84.08138	1.2
85.02900	4.3
85.06538	3.0
91.05467	5.1
93.03407	3.9
93.07034	10.7
95.04965	9.5
95.08598	86.4
96.08956	1.2
96.82264	0.6
97.02897	1.7
97.06524	25.0
98.03671	3.4
99.04458	5.9
99.08081	3.0
103.05416	0.7
105.07017	18.1
106.07347	0.7
107.04956	4.3
107.08591	3.8
109.02872	21.8
109.06509	25.1
109.10147	4.6
110.03621	2.1
110.06057	0.9
110.07246	0.7
110.38561	0.6
111.00032	1.0
111.00792	18.5
111.04433	19.6
111.08051	1.9
111.09196	3.8
113.06013	5.1
123.04438	2.9
123.08057	100.0
123.11677	3.0
124.01614	0.8
124.07567	1.3
124.08452	3.0
125.05981	67.4
126.03120	25.0
126.04072	0.9
126.06347	1.6
126.10300	0.8
127.03926	6.0
127.07561	1.8
133.06488	5.4
133.10110	1.4
134.06021	1.3
137.02303	1.1
141.05452	66.9
141.07135	1.9
141.09085	13.3
142.05797	2.3
143.07025	7.8
151.03955	3.5
151.07524	31.5
151.11200	2.0
152.06880	0.7
152.07985	0.9
152.10721	1.1
153.06990	1.6
154.02573	3.1
154.07755	4.9
155.03383	1.5
169.03510	1.3
169.04970	24.3
169.08621	25.5
169.10127	8.5
169.12253	1.0
170.05754	1.7
170.09552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
51.45264	0.6
53.03928	2.9
55.01871	25.4
55.05507	10.7
56.05037	0.9
57.03435	4.2
57.07071	1.2
59.04991	0.8
59.06110	1.6
61.55195	0.6
63.88319	0.6
64.53721	0.6
65.03939	12.5
67.01830	0.6
67.05504	27.0
68.99792	7.8
69.03426	7.1
69.07060	9.6
70.06580	2.1
71.01356	0.7
71.04991	10.4
72.08152	1.0
79.05489	23.4
81.03415	13.9
81.03864	1.0
81.07053	51.1
82.06554	0.6
82.07401	1.0
83.04979	6.1
83.06091	1.0
83.08612	1.8
84.08138	1.8
85.02901	3.9
85.06546	4.3
85.07645	0.9
91.05493	5.1
93.03407	3.4
93.07039	10.2
94.06557	0.7
95.04963	10.3
95.08602	91.1
96.08156	0.9
96.08937	2.0
97.02888	1.4
97.06528	26.8
98.03679	3.8
98.07201	0.9
99.04465	6.1
99.08084	3.3
105.07025	18.2
107.04954	4.1
107.08588	5.7
108.02077	1.0
109.02876	26.3
109.06512	24.9
109.07633	1.3
109.10155	5.2
110.03653	2.1
110.06037	1.2
110.07153	1.8
111.00800	19.9
111.04436	22.5
111.08104	3.3
111.09184	5.6
113.06010	5.9
113.09618	0.8
122.07058	0.6
123.04487	3.7
123.08060	100.0
123.11658	4.8
124.07567	1.8
124.08437	2.6
125.05988	65.1
125.09549	1.4
126.03132	33.2
126.06365	1.8
127.03928	8.1
127.07542	3.0
133.02884	1.2
133.06480	6.1
133.10138	2.4
137.02365	0.7
141.05455	88.2
141.09090	10.8
142.05847	2.0
142.08606	1.0
143.07025	8.9
151.03934	4.6
151.04959	1.2
151.07539	34.2
151.11139	3.6
152.06976	1.0
152.08046	1.5
152.10696	1.4
152.31102	0.6
153.07005	1.4
154.02585	2.8
154.05049	1.5
154.07771	4.9
155.03369	4.2
163.97659	0.6
169.04970	26.5
169.07507	5.9
169.08621	22.6
169.10127	7.6
169.12283	2.0
169.14467	0.7
170.05763	3.5
170.08118	1.7
170.09578	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	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
51.02356	0.5
53.03733	0.2
53.03944	2.6
55.01864	2.1
55.05497	0.6
65.03921	0.7
67.05479	1.0
68.05024	0.3
68.99765	0.7
69.03419	0.9
69.07067	0.4
70.06577	0.7
71.10518	0.4
72.08141	0.3
74.00863	0.2
77.03915	0.8
78.04704	2.3
79.05488	13.4
80.05834	0.3
81.03400	0.5
81.07047	3.4
82.06536	0.3
83.04967	0.8
83.06082	0.3
85.07607	0.2
91.05473	12.8
92.05795	0.6
93.03361	0.4
93.07038	17.5
94.07357	0.5
94.07977	0.2
95.01324	0.3
95.04964	4.9
95.08589	0.5
97.02876	0.3
97.06509	0.9
103.05458	1.5
105.04497	1.0
105.07031	0.6
106.04134	0.9
107.01265	0.4
107.04974	1.9
107.08575	1.3
109.02852	0.4
109.06486	0.9
109.07638	0.9
110.08407	0.4
111.04430	1.4
111.08067	0.3
111.09229	0.4
119.04935	0.5
121.02042	0.3
121.02868	2.3
121.06494	13.1
121.10116	1.1
122.06035	0.2
122.06874	0.4
123.04418	5.2
123.08038	1.0
123.72766	0.2
124.05209	1.2
125.05986	0.3
125.09579	0.4
135.04436	0.4
139.03896	1.1
139.07530	1.5
139.08536	0.4
147.04369	0.3
147.26523	0.2
149.02327	0.9
149.04921	0.6
149.05986	3.1
149.09618	0.6
150.10196	0.6
151.03885	0.6
152.04694	2.2
167.07025	100.0
168.07423	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02370	0.8
53.03952	5.1
54.82625	0.5
55.01869	1.8
55.05259	0.7
55.05510	8.5
56.96562	0.5
57.03060	0.5
57.07057	1.3
59.05001	2.5
65.03928	1.5
66.04714	1.3
67.05499	5.2
69.03434	3.1
69.07067	33.6
70.06588	0.9
70.07413	0.7
71.64651	0.9
73.01056	0.5
77.03916	1.3
78.04710	16.1
78.05149	0.9
79.05491	33.2
81.03412	2.1
81.06574	0.8
81.07054	12.9
83.04987	3.3
83.08617	2.4
91.05477	14.2
92.02589	0.6
93.03389	0.9
93.07042	60.3
94.04175	2.3
94.07383	1.1
94.34672	0.5
95.04974	12.2
95.08595	9.2
96.05738	2.3
97.06521	6.5
97.10167	1.2
103.05482	1.6
105.03394	1.7
105.04523	1.3
105.07024	16.3
106.04169	6.6
106.07856	0.9
107.04961	18.2
107.08578	5.2
108.04487	0.7
108.66101	0.5
109.02872	2.4
109.06519	3.0
109.10157	1.1
111.04455	1.2
111.08060	1.5
111.11710	4.6
112.07626	0.6
119.08559	4.2
120.05759	0.6
121.01699	0.8
121.02901	1.1
121.06509	2.5
121.10139	75.8
122.03649	3.9
122.10479	1.9
123.04435	30.0
123.08044	3.9
123.11660	0.6
124.05219	14.2
125.06010	3.0
125.09622	1.3
131.08548	0.8
133.07620	1.6
134.03653	1.4
135.04405	5.3
137.05986	1.9
138.03090	0.7
139.07568	1.0
139.11118	2.6
144.03316	0.6
149.02350	1.4
149.05991	1.5
149.09615	8.9
150.05502	0.8
150.06639	0.8
150.10202	0.6
151.03900	6.5
152.04689	8.1
152.06155	1.4
153.06927	1.1
165.06966	1.2
167.03340	3.1
167.07043	100.0
167.08391	4.3
167.10661	21.8
168.07423	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	168.078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71990	0.4
53.03934	1.5
54.88786	0.3
55.01867	0.8
55.05496	0.5
58.14223	0.4
65.03937	20.4
66.04266	0.4
67.05494	5.1
69.03423	0.7
70.06579	0.7
70.45091	0.3
71.04981	0.6
71.06118	0.4
71.64539	0.8
79.05480	1.4
80.04976	0.5
81.03409	3.0
81.07049	0.7
82.04195	4.0
83.04979	0.5
85.02903	0.5
91.05479	0.5
93.03404	6.4
94.04176	0.8
94.06553	0.9
94.07408	0.5
95.01325	2.3
95.04952	3.3
96.04465	0.4
97.06550	2.0
98.03688	0.5
98.06052	1.0
99.04469	0.8
103.05457	0.4
105.04497	0.6
107.04953	1.1
108.02098	2.6
108.04492	0.8
109.02141	0.3
109.02869	6.6
109.06499	0.6
110.03653	25.7
111.00818	1.0
111.04436	37.0
112.04762	1.1
112.99998	0.6
113.04843	0.3
115.05476	0.4
121.99358	0.4
122.06028	1.6
122.09616	0.7
123.04450	2.1
124.03951	0.7
124.07571	0.4
125.05984	36.5
126.03110	2.3
126.05500	1.6
126.06340	0.8
127.03930	1.0
128.06198	0.5
134.05997	1.1
135.05484	0.6
137.02287	0.4
137.05965	1.1
138.03120	2.5
138.06749	2.3
139.03874	0.9
139.07532	1.6
140.00427	0.7
140.03444	0.7
140.07025	0.9
141.05461	5.5
141.06998	1.8
145.06473	1.3
150.05463	1.2
150.09132	0.6
151.03897	0.9
153.05461	100.0
153.06927	10.7
154.06075	4.2
154.07751	3.4
155.06038	1.5
167.07315	0.6
167.08502	2.5
168.06555	1.9
168.07837	25.2
168.09348	6.0
169.04950	2.0
169.06401	0.9
169.08525	1.7
169.10106	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	168.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65171	0.3
71.30537	0.6
74.01652	0.3
91.05475	0.8
94.40676	0.3
97.53480	0.2
103.05476	1.4
115.05423	2.2
117.06986	0.5
127.05457	0.9
128.06227	1.0
129.06992	1.2
141.06981	8.7
142.07753	0.5
143.35420	0.2
145.06479	3.4
152.06201	3.8
153.06985	100.0
154.07776	15.7
155.06027	3.4
159.08022	1.0
165.06990	1.2
166.07608	0.4
167.07338	1.3
167.08557	24.3
168.08083	6.7
168.09337	69.9
169.06392	2.1
169.10118	19.9
189.02852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02392	0.4
52.03159	0.3
53.03947	1.0
53.04169	0.2
55.05512	0.3
56.85342	0.2
65.03932	0.8
66.04726	1.0
67.01838	0.2
67.05501	0.8
68.02646	0.2
68.99774	0.3
69.03437	0.4
69.07044	0.2
69.47202	0.4
69.47611	1.6
71.04988	0.2
74.20284	0.2
77.03926	0.4
78.04709	15.9
79.05083	0.2
79.05486	5.6
80.02592	0.2
80.05788	0.2
81.03416	0.8
81.07056	1.4
82.04194	0.2
83.04951	0.5
88.17661	0.2
91.05492	1.0
93.03400	0.9
93.07038	1.4
94.04203	1.1
95.04973	3.3
96.05748	1.3
97.06533	0.6
105.03379	1.2
105.04504	0.4
106.04166	6.1
107.04955	4.2
107.08585	0.7
109.02859	1.9
109.06504	0.6
111.04434	0.3
111.08072	0.6
120.02097	0.3
121.02873	0.4
121.06508	0.6
121.10139	0.9
122.03618	1.9
123.04425	28.5
124.05222	9.6
125.05977	0.7
134.03644	1.5
135.04404	1.2
137.02251	0.2
137.05992	1.5
138.03078	0.3
139.07536	0.3
144.03255	0.3
149.02359	0.5
149.06017	0.3
151.02718	0.5
151.03894	6.0
152.04683	6.3
153.05115	0.3
165.05496	0.3
167.07033	100.0
168.04156	0.8
168.07359	4.0
182.14978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02369	0.4
53.03941	4.2
55.05503	0.7
59.10546	0.4
65.03923	0.9
66.04716	1.8
67.05499	1.8
68.02641	0.6
68.99769	0.5
69.07061	0.5
71.04425	0.7
71.04745	0.5
77.03937	0.4
78.04253	1.0
78.04707	18.4
79.05486	34.4
80.05825	0.6
81.03398	1.2
81.07053	6.6
83.04958	0.6
84.96033	0.5
85.02895	0.6
91.05473	4.4
92.02668	0.5
93.03399	0.9
93.07040	1.9
94.04186	4.2
95.04965	10.3
96.05762	2.4
105.03370	2.2
105.04519	1.7
105.07001	0.5
106.04159	7.4
107.04948	35.1
107.08588	1.1
108.05279	0.9
109.02861	2.4
109.06512	2.2
110.03589	0.5
111.04457	0.7
111.08076	0.8
120.02082	0.5
121.02853	0.7
121.06491	1.9
121.10133	1.3
122.03635	4.7
123.04420	28.8
123.08059	0.6
124.05219	18.2
125.06024	3.8
132.67923	0.5
134.03619	1.4
135.04379	1.4
137.05991	2.4
139.07506	0.8
149.02356	1.1
149.05946	1.3
151.03893	6.4
152.04672	10.9
152.06126	0.9
153.06964	1.7
165.05554	0.5
165.06859	0.7
166.07732	0.5
167.03378	2.0
167.07033	100.0
167.08347	3.6
168.04222	0.8
168.07404	3.0
168.09297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03932	0.1
56.30991	0.1
56.96558	0.1
71.58320	0.1
71.58672	0.2
77.03912	0.1
79.05483	0.9
91.05465	0.6
93.07040	1.8
95.04980	0.1
103.05458	8.2
104.05797	0.4
107.04948	2.1
118.06513	0.2
120.08096	100.0
121.08435	2.9
131.04002	0.2
131.04919	2.5
143.03606	0.1
148.04797	0.1
149.05930	0.6
164.05270	0.1
166.08626	1.3
167.07098	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02371	0.5
52.03155	0.4
53.00300	0.2
53.03949	1.9
55.01844	0.3
55.05504	0.6
55.18239	0.2
59.05000	0.3
60.91778	0.2
65.03932	0.9
66.04710	0.8
67.01855	0.3
67.05498	1.0
68.99777	0.3
69.03423	0.3
69.07053	0.5
69.37120	0.2
70.86855	0.2
71.04987	0.2
72.54834	0.2
75.46685	0.2
76.03109	0.2
77.03928	0.5
78.04709	17.3
79.05068	0.6
79.05487	10.8
81.03416	1.1
81.07054	2.5
83.04994	0.3
84.96023	0.7
91.05484	2.2
92.02654	0.3
93.03402	0.8
93.07040	1.6
94.04199	1.4
95.04368	0.3
95.04967	4.9
95.08640	0.4
96.05755	1.4
97.06548	0.5
98.20720	0.5
105.03403	1.7
105.04530	0.6
106.04169	6.9
107.04951	9.9
107.08592	1.6
109.02868	1.9
109.06516	1.0
109.10165	0.5
110.03613	0.3
110.32059	0.2
111.04430	0.6
111.08092	0.6
115.29877	0.3
121.01676	0.4
121.02868	0.6
121.06497	0.9
121.10125	0.9
122.03646	2.3
123.04422	30.7
123.11636	0.3
124.03856	0.4
124.05231	9.5
125.06057	1.0
134.03633	1.6
135.04504	1.0
135.11726	0.4
137.02310	0.4
137.05972	1.3
138.03117	0.5
139.07544	0.5
149.02357	0.8
149.03505	0.2
149.05978	0.4
149.09534	0.5
151.03894	6.5
152.04683	6.7
152.06058	0.3
153.05104	0.3
153.06970	0.6
167.07034	100.0
168.04218	0.8
168.07376	2.9
168.09418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02378	0.6
53.03942	3.3
55.01857	1.1
55.05500	1.1
65.03934	1.7
66.04717	1.2
67.05499	2.1
67.18816	0.4
69.03432	0.6
69.07056	1.9
70.00897	0.4
70.06588	0.5
77.03934	0.8
78.04710	17.0
79.05135	0.9
79.05488	23.9
80.05814	0.6
81.03402	1.8
81.07059	4.4
83.04976	2.1
84.96020	0.9
91.04982	0.5
91.05485	3.4
93.03394	1.2
93.07043	3.6
94.04209	2.6
95.04964	7.7
95.08611	1.1
96.05747	1.4
97.02839	0.7
97.06522	1.4
98.06040	0.7
98.20757	0.9
103.05480	0.5
105.03384	2.1
105.04499	1.1
105.07018	1.0
106.04175	6.8
107.04954	20.9
107.08604	3.0
108.04471	0.5
108.05226	0.5
109.02876	3.7
109.06499	1.8
109.07154	0.5
111.04427	1.4
111.08085	1.5
121.01657	2.4
121.02856	1.8
121.06505	2.2
121.10141	3.2
122.03637	3.2
123.04422	28.5
123.08066	0.9
124.05218	13.7
125.02327	0.5
125.06044	3.0
125.09659	0.6
126.05515	1.0
126.31255	0.4
127.03876	0.4
134.03641	1.9
135.04410	1.5
137.05983	1.7
138.03148	0.6
139.02690	1.2
139.07536	1.6
143.96742	0.5
144.03232	1.3
145.06613	0.8
148.07524	0.4
149.02356	2.5
149.06012	1.1
149.09578	1.1
149.13156	0.5
150.05431	0.5
151.03882	6.7
152.04681	7.7
152.06166	2.0
153.06973	4.1
165.06990	1.2
167.03372	3.0
167.07043	100.0
167.08493	7.1
167.10718	1.8
168.07568	2.1
168.09349	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	166.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.04285	0.6
55.01624	0.5
55.01868	3.1
55.05512	5.9
56.05040	2.6
56.96566	100.0
57.03442	8.3
58.03776	0.8
58.96166	1.6
58.99861	1.6
59.05001	5.1
59.99939	0.7
60.04523	0.8
60.05328	0.8
60.95856	4.2
61.01146	0.7
61.02921	2.2
65.03942	1.4
65.92634	1.4
67.05498	3.0
68.02662	1.0
69.03435	6.1
69.07076	1.1
70.06586	3.2
70.49162	2.5
70.98122	3.2
70.99833	0.8
71.01357	2.8
71.04985	5.1
71.95266	5.9
72.04509	1.2
72.05334	1.0
72.96058	1.6
73.02924	3.7
73.06559	0.8
74.02436	4.5
74.03693	1.4
74.06088	1.5
74.97614	2.6
75.02709	1.1
75.04470	1.0
77.00880	2.0
78.00972	0.7
78.56252	0.6
79.05481	1.9
80.05016	0.8
80.94979	2.7
81.03418	10.5
82.01830	0.8
82.03744	2.6
82.06577	1.0
82.99823	0.6
83.00786	2.7
83.04977	5.6
83.99924	0.8
84.01562	1.5
84.04498	0.7
84.08144	2.6
84.96031	6.2
85.02898	10.2
86.03243	2.0
86.06063	0.7
86.93948	0.6
87.01025	0.8
87.02701	1.1
87.04472	6.6
88.02682	0.5
88.04780	1.8
88.99154	2.3
89.00793	1.9
89.06017	1.6
90.01557	2.2
91.02358	0.8
91.05473	2.1
92.01291	2.2
92.03098	0.8
92.05009	0.7
92.05809	1.7
93.07043	2.7
94.06549	1.2
95.03477	0.8
95.04982	2.7
95.06050	1.3
96.01532	3.0
96.04494	1.2
96.05280	1.2
96.51720	1.8
97.00513	0.6
97.01393	0.6
97.02312	2.4
97.02893	4.5
97.06567	0.6
97.52513	1.8
97.96792	5.7
97.99194	2.2
98.01262	1.8
98.03929	0.7
98.97590	16.3
99.02037	1.4
99.04469	3.7
99.97897	1.0
100.02468	3.4
100.05295	3.8
101.00869	7.0
101.02501	0.7
101.05555	1.9
101.50883	0.9
101.96169	0.7
101.99876	0.8
102.00933	10.3
102.02222	4.7
102.05597	0.8
102.96994	1.6
103.00621	5.9
103.02387	2.7
103.05463	5.6
103.52535	0.8
104.01283	2.9
104.51446	1.0
105.00386	1.4
105.02083	1.8
105.03711	2.0
105.07025	0.7
105.52265	1.0
106.00979	1.0
106.02841	1.8
107.00198	1.0
107.04957	1.6
107.07301	0.9
107.08639	0.8
107.52352	0.8
108.01522	1.2
108.02453	0.8
108.04485	0.9
108.51717	1.9
109.02864	5.1
110.01297	3.7
110.02461	0.8
110.03214	2.3
110.06011	1.6
110.51447	2.0
110.97572	4.8
111.02096	1.2
111.02869	0.9
111.04453	2.3
111.97933	0.6
112.02834	1.3
112.07602	0.7
112.53003	1.0
112.99114	1.0
113.00864	1.7
113.01743	1.6
114.02575	0.7
114.05501	0.7
114.06792	1.5
114.13934	0.6
115.02428	9.8
115.03242	1.4
115.07091	0.7
115.52061	1.1
115.97845	4.8
116.00204	1.9
116.01189	0.9
116.52801	0.7
116.98639	12.8
117.02068	7.0
117.03967	2.2
117.52258	5.4
117.99003	0.7
118.01122	1.1
118.03519	2.4
119.01916	45.1
119.04889	0.7
119.51996	0.7
120.02008	82.0
120.03337	3.1
120.05222	3.5
120.08104	45.6
120.97948	0.9
121.01662	33.8
121.02354	1.7
121.03497	1.0
121.06511	3.2
121.08446	1.2
121.10146	1.1
121.52002	0.7
121.97545	1.6
122.06062	1.5
123.02071	0.7
123.04414	2.5
124.02578	0.6
124.03890	0.7
124.04814	2.0
124.93915	1.4
124.99118	3.4
125.01740	2.1
125.02526	3.3
125.06031	0.7
126.02594	8.6
126.52759	9.6
127.02417	0.8
127.03918	2.5
128.02222	2.0
128.52766	0.5
128.97813	1.3
128.98593	6.5
129.03050	1.0
129.03990	1.1
129.98911	1.3
130.08630	1.2
131.00238	3.8
131.01906	15.3
131.04919	0.9
132.05048	0.8
133.01672	2.2
133.03461	9.9
133.98883	3.1
134.01430	0.6
134.02307	1.9
134.03386	1.0
134.99686	7.5
135.03084	9.3
135.05040	1.8
135.53250	12.5
136.03264	1.8
137.02948	16.2
137.05978	2.3
137.98314	0.7
138.03030	34.9
138.05356	3.0
138.06427	0.8
138.10274	0.9
139.02682	14.8
139.03773	1.6
139.07565	0.7
140.00159	1.0
140.03485	0.7
142.03506	10.3
142.54016	1.0
142.94917	1.1
142.96623	3.5
142.98497	0.7
143.00166	16.9
143.01936	3.5
143.03639	55.5
144.03239	20.9
144.98117	0.9
145.01689	1.4
145.03413	2.2
145.53110	1.0
146.53862	1.9
146.99660	8.0
147.04041	1.7
147.05008	4.1
148.00114	2.0
148.03677	3.7
148.04918	5.1
148.07483	1.0
149.01260	3.8
149.02888	3.4
149.05952	1.4
150.98936	1.0
151.04408	1.6
151.54533	1.6
152.04640	1.2
153.00589	0.8
154.03476	1.0
155.00122	0.9
155.01831	0.8
155.04576	0.8
156.05025	0.8
157.00372	0.8
157.03482	1.4
158.06581	1.1
158.99646	2.0
159.04997	1.3
160.04547	4.5
160.95988	1.8
160.97554	4.3
161.01192	37.7
161.02919	17.0
161.04657	22.5
161.06580	1.2
162.01653	1.3
162.03070	1.0
162.04291	7.8
162.99165	1.5
163.02708	1.2
165.00710	2.8
165.06065	1.7
166.01891	0.6
166.04999	19.5
166.07210	4.3
166.08597	10.3
166.09784	0.9
166.12161	0.7
167.02065	1.1
167.03384	1.4
167.04680	1.0
167.05615	0.8
167.06989	4.7
167.08188	1.8
170.01237	1.3
172.02875	0.6
173.01314	1.3
173.02969	1.4
174.99112	0.9
175.04416	0.6
177.00684	2.2
178.98595	1.4
179.02237	9.0
179.03970	4.3
184.02699	2.1
184.04501	2.6
184.06111	1.1
185.02905	2.3
189.00664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0499
Annotation	Ascosonchine
Peak:m/z	Relative Intensity
50.95590	0.6
53.03939	1.5
53.58547	0.5
54.03458	0.8
54.99922	0.5
55.01854	0.9
55.05492	1.1
56.05023	2.3
56.96548	1.9
57.03418	0.6
58.06595	0.7
59.06107	0.8
65.03938	3.9
66.03464	1.1
66.36774	0.5
67.05499	4.6
68.05030	3.0
69.03419	1.5
69.07052	0.5
69.62025	1.4
69.62444	2.6
70.06593	2.7
77.03928	0.9
78.04699	1.0
79.05492	5.1
80.05003	3.4
80.05817	0.7
80.94962	1.4
81.03418	1.2
81.04525	1.2
81.07040	1.9
82.06570	2.9
83.04958	2.2
83.06113	3.0
83.93039	0.7
84.04510	1.0
84.08141	1.3
89.66829	0.5
91.05476	9.6
92.04977	1.6
92.05813	15.0
93.03389	0.7
93.07050	6.3
94.06583	3.0
95.04988	3.2
95.06100	3.2
95.08585	2.1
96.04462	1.6
96.05254	0.6
96.06892	0.8
96.08147	0.9
97.02871	1.4
97.06532	1.1
97.07643	2.4
98.06063	1.0
98.97548	0.5
103.05463	3.8
104.04977	1.0
105.07012	1.3
106.02890	0.8
106.06565	0.6
106.07374	0.6
107.04973	3.0
107.06074	2.2
107.08569	2.1
108.04485	2.6
108.06850	0.9
109.02882	0.6
109.06480	2.0
109.07632	5.3
110.06089	2.9
110.06739	0.8
110.08457	1.1
110.09678	1.2
111.04470	3.0
111.05570	1.0
111.09214	0.9
117.61401	0.5
118.03617	0.6
119.01904	2.3
119.04960	4.2
119.95110	0.6
120.02019	4.8
120.04454	3.0
120.05269	30.3
120.08109	24.4
120.08907	1.0
121.01645	1.6
121.02870	1.8
121.05709	0.8
121.06480	4.5
121.07625	2.8
121.10149	2.4
121.97567	0.7
122.02317	0.9
122.06001	2.4
122.07137	0.7
123.04443	3.5
123.05581	0.8
123.08072	1.3
123.09160	0.8
124.03937	1.7
124.04849	0.9
124.07802	0.8
124.08690	5.4
124.93863	0.7
125.02355	1.7
125.05989	0.9
125.07098	2.4
126.07860	1.4
130.30775	0.6
131.04974	0.7
135.04379	0.9
136.07510	1.6
136.08638	1.1
137.05946	1.7
138.03088	2.7
138.05470	7.8
138.06390	1.2
138.09103	2.7
138.10126	1.5
139.02748	0.6
139.03893	2.0
139.07570	1.1
139.08586	0.9
140.03416	0.5
142.96686	5.1
143.00070	0.7
143.03618	3.5
144.03242	1.3
147.04333	0.6
148.03857	22.2
148.04750	53.8
148.07253	1.1
148.08601	4.0
149.02339	1.9
149.05028	0.9
149.05972	1.6
149.07083	1.2
149.09598	0.5
150.10262	1.9
151.03883	2.2
152.04660	1.9
155.69733	0.6
160.96037	1.1
161.01241	0.6
161.04666	1.7
165.06949	0.6
166.04984	100.0
166.08603	7.8
166.09732	6.2
166.11946	0.9
166.13356	1.0
166.15829	0.7
167.03445	3.3
167.05415	2.3
167.07036	20.3
167.10684	1.4
179.02245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03961	1.8
55.01882	1.4
55.05501	4.2
56.05033	1.0
57.03447	3.1
57.07068	3.0
59.04992	3.2
60.29569	0.7
65.03928	4.1
67.05499	22.8
68.05031	1.4
69.03427	5.7
69.07063	7.0
70.06603	1.0
70.08348	3.0
71.05016	1.0
73.52864	0.6
77.03931	0.9
79.05482	11.1
79.05901	1.0
80.05004	0.9
81.03442	2.3
81.04523	0.7
81.07050	22.4
81.07501	1.3
82.06587	1.5
83.04995	2.1
83.06104	2.4
83.08632	2.0
85.07661	0.8
91.05476	46.0
92.05817	1.2
93.07047	5.8
95.04963	36.4
95.08600	22.4
97.06544	1.1
97.07655	0.7
98.20869	0.8
101.00890	1.1
103.05442	1.6
105.03416	0.8
105.07022	14.1
106.07354	1.2
107.04955	4.1
107.06077	1.6
107.08590	25.9
108.05744	1.5
108.08932	2.0
109.06514	22.2
109.07240	1.2
109.10122	4.4
110.07275	1.3
115.62024	0.7
117.07003	3.3
119.01911	8.9
119.04935	57.5
119.08574	28.5
120.04523	0.9
120.05329	2.3
120.08099	3.8
120.08899	1.5
121.06555	1.6
121.07600	0.7
121.10134	7.2
122.03671	1.1
122.07155	2.1
123.04437	6.1
123.08057	27.4
123.11692	16.5
124.08614	2.3
128.06163	0.6
129.06993	1.4
132.05710	2.4
133.02859	2.8
133.06500	1.3
136.08794	1.0
137.02988	3.6
137.05972	7.2
137.09612	6.2
137.12335	0.9
137.13261	3.7
138.10147	0.9
142.03470	5.6
143.03632	0.8
147.04399	100.0
147.08034	13.8
147.11665	8.7
148.04791	6.2
148.08649	1.8
160.04497	1.8
163.72182	0.7
165.01848	1.3
165.05522	12.2
165.06876	1.6
165.09102	8.5
165.11482	2.2
165.12738	54.4
166.05006	1.9
166.08530	1.3
166.09773	1.0
166.13078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.00655	0.4
51.02394	0.6
53.03964	1.8
53.39335	0.4
55.01893	1.4
55.05510	4.7
56.05043	1.2
57.03438	2.4
57.07073	3.2
58.06606	0.7
59.05002	2.1
60.87070	0.4
61.55493	0.4
62.73978	0.5
65.03937	3.9
67.05502	21.0
68.05048	1.8
68.80820	0.4
69.03425	5.5
69.03761	0.4
69.04567	0.6
69.07068	5.3
69.61637	3.3
70.06606	1.6
71.05015	1.2
79.05488	10.0
80.05036	1.0
81.03421	2.4
81.04554	1.1
81.07054	21.0
82.06590	1.2
82.07401	0.8
83.04990	1.6
83.06112	1.6
83.08633	2.0
85.06559	0.9
85.07683	0.7
91.05478	41.7
92.05839	1.7
93.07043	7.6
94.04202	0.6
95.04967	31.1
95.06062	1.2
95.08606	18.7
96.04475	0.4
96.05286	0.9
96.08978	0.4
97.02896	0.5
97.06525	1.1
97.07652	1.0
98.07145	0.4
98.21392	0.7
101.00889	1.9
103.05446	2.1
105.03387	0.8
105.07026	14.1
105.73969	0.5
107.04948	3.9
107.06065	1.0
107.08591	25.5
108.04419	0.8
108.05737	0.9
108.08938	1.3
109.02852	0.7
109.06519	18.0
109.07684	1.3
109.10157	5.4
110.06070	0.7
110.07248	1.7
111.09193	1.1
117.07012	2.5
119.01937	8.7
119.04939	50.5
119.08575	26.5
120.02030	0.8
120.05228	2.3
120.08113	4.6
120.08912	1.1
121.06520	1.9
121.07649	0.5
121.10136	7.0
122.03693	1.4
122.07229	2.5
123.04457	5.2
123.08068	26.2
123.10815	1.1
123.11691	14.9
124.02515	0.5
124.08725	2.5
124.12022	0.9
125.09518	1.0
129.06993	1.2
132.05743	2.1
133.02884	2.5
133.06479	1.9
133.07449	0.5
135.04384	0.5
135.11618	0.7
136.07671	0.5
136.08780	1.1
137.02995	3.4
137.05009	0.7
137.05988	7.9
137.09628	6.7
137.12343	0.8
137.13219	2.8
138.05476	0.9
138.09126	0.5
138.10228	0.9
141.09091	0.9
142.03493	5.5
142.96663	0.8
143.03461	0.5
145.10117	0.6
147.04404	100.0
147.08043	12.1
147.11678	8.0
148.03824	0.6
148.04779	6.1
148.08652	2.7
160.04573	2.2
165.01804	1.0
165.05511	14.1
165.06799	0.7
165.07767	0.8
165.09102	9.0
165.11476	2.7
165.12743	52.9
166.04982	1.8
166.08624	1.5
166.13133	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	166.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01863	3.3
55.05498	5.4
56.05023	1.6
56.96566	100.0
57.03435	10.8
58.99866	1.9
59.04999	4.7
60.95843	2.8
61.02928	2.2
63.53266	1.0
65.03934	3.6
65.92615	2.4
67.05488	3.2
68.05022	1.2
69.03424	5.9
69.80313	6.1
70.06590	3.0
70.98109	2.7
70.99863	1.1
71.01340	1.9
71.05003	5.2
71.95267	9.5
72.05312	1.1
72.96032	2.5
73.02900	3.8
73.06548	1.7
74.02435	3.4
74.97604	2.4
77.00900	2.0
78.83571	1.0
79.05492	2.7
80.05015	1.1
80.94953	4.3
81.03418	8.5
81.07058	1.4
82.03741	2.5
82.06599	1.0
83.00794	1.0
83.04982	9.4
84.01556	1.1
84.08122	2.3
84.96031	4.1
85.02893	8.6
86.03219	1.4
86.99300	1.3
87.04471	5.6
88.02663	1.3
88.99149	2.7
89.00779	1.3
89.06014	0.9
90.01534	1.4
91.00487	1.3
91.02402	1.0
91.05476	2.9
92.01285	2.6
92.05807	1.7
93.03379	1.1
93.07020	2.5
94.06596	1.2
94.51551	1.1
95.01341	1.8
95.04993	4.7
95.06091	2.1
96.01540	1.4
96.04511	2.4
96.05282	2.2
97.01376	1.6
97.02311	2.4
97.02900	4.1
97.96831	4.7
97.99207	2.2
98.01270	1.0
98.21422	1.4
98.97583	16.8
99.02039	1.1
99.02918	1.2
99.04453	2.9
100.02483	4.9
100.05231	3.2
100.99150	1.2
101.00858	11.0
101.02541	1.2
102.00935	15.7
102.02248	4.3
102.05564	1.2
102.97021	1.1
103.00594	4.9
103.02390	3.4
103.05476	6.2
104.01295	2.3
105.02091	1.1
105.03773	1.6
106.02850	2.1
107.04961	2.3
107.07305	0.9
107.08560	1.1
108.01516	2.3
108.02461	1.0
108.04456	2.0
109.02847	2.4
110.01273	3.8
110.03160	2.0
110.06042	2.7
110.51446	1.2
110.97530	2.6
111.02950	1.3
111.04438	6.6
112.99130	1.2
113.00850	2.6
113.02390	1.7
113.05998	1.4
114.06799	1.9
115.02435	12.1
115.03254	1.8
115.97830	5.1
116.01340	0.9
116.03948	1.1
116.98632	11.1
117.02061	5.1
117.03976	3.1
117.52225	5.9
118.01070	2.9
118.03518	3.2
119.01913	48.2
120.02002	94.9
120.03377	2.8
120.05259	3.1
120.08105	48.0
121.01662	29.1
121.03555	1.2
121.06495	3.8
121.97540	1.5
122.06046	1.1
123.04433	2.4
124.04761	2.6
124.93905	1.1
124.99107	2.4
125.02509	4.0
126.02570	7.0
126.52734	8.0
127.02892	0.9
127.03911	2.6
128.02197	1.5
128.98657	5.4
129.03984	1.4
131.00189	3.4
131.01898	17.0
131.04875	1.4
132.00528	0.9
133.01768	2.2
133.03471	14.8
133.53436	1.0
133.98914	2.2
134.02321	2.7
134.99637	6.3
135.03123	5.3
135.04996	2.3
135.53279	6.5
136.03291	1.1
136.07545	1.4
137.02954	19.4
137.05946	2.3
138.03044	40.6
138.05414	5.2
138.06416	1.1
138.10266	3.7
138.53603	1.5
139.02699	15.0
139.03885	4.3
139.04955	1.0
142.03494	12.9
142.96579	7.7
143.00186	16.8
143.01907	6.6
143.03629	61.1
144.03255	17.6
145.03470	3.0
146.99634	6.0
147.05048	2.4
148.00079	1.4
148.03882	3.6
148.04922	6.0
148.07491	1.2
149.01202	4.3
149.02995	2.6
149.05966	2.7
151.04535	1.4
154.03555	1.2
157.03459	2.0
158.06654	1.2
160.04504	5.6
160.96059	2.4
160.97575	8.2
161.01224	31.3
161.02956	24.7
161.04707	28.9
161.06580	1.5
162.03152	2.2
162.04323	6.0
163.02808	1.5
163.04297	1.3
165.00673	1.4
166.01921	1.3
166.03537	2.0
166.04987	18.8
166.07269	2.7
166.08647	10.3
166.09792	3.4
167.03415	1.8
167.06995	5.6
174.99162	1.2
175.04558	1.7
177.00671	1.5
178.98601	2.6
179.02271	6.5
179.04016	7.9
184.02887	2.2
184.04529	3.0
184.06197	1.2
185.02974	2.8
189.00671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02388	0.7
53.03946	1.6
55.01870	4.5
55.05509	1.1
56.05040	1.1
56.96570	0.9
57.03445	0.4
57.67131	0.3
58.34503	0.4
65.03942	1.8
66.04729	0.4
67.05502	3.2
68.05025	1.7
68.99789	0.5
69.03421	0.9
70.06596	1.4
70.88420	1.1
71.00087	0.4
71.04977	0.4
77.03933	1.1
79.05491	18.3
80.05026	1.1
81.03404	0.9
81.04538	1.0
81.07051	4.4
82.06583	1.4
83.04972	0.7
83.06096	2.5
84.96030	0.5
85.02905	0.7
85.07681	0.9
91.05478	22.6
92.05772	0.4
93.03414	0.9
93.07046	2.6
94.04210	2.2
95.04968	6.0
95.06077	0.7
95.08598	2.6
97.06508	0.7
97.07669	1.0
98.07173	0.6
101.00893	1.6
103.05463	10.8
105.07027	100.0
106.07351	2.6
107.04948	2.0
107.06082	1.5
107.08564	1.7
108.04463	0.5
109.02867	1.3
109.06510	5.9
109.07666	1.3
109.10172	2.4
110.07162	0.6
111.04458	1.5
111.09223	0.5
115.05432	1.0
117.06989	0.7
119.01933	10.1
119.04942	27.8
119.08576	9.4
120.02026	0.5
120.05255	0.8
120.08102	1.7
121.06502	0.7
121.07629	1.1
121.10145	1.3
122.03640	5.8
122.07145	2.1
123.04450	2.7
123.08086	2.6
124.05222	3.4
124.07862	0.3
124.08700	2.6
125.05957	0.5
125.09503	1.0
131.04959	0.4
132.05692	0.6
133.02884	2.6
133.06487	75.1
134.06808	2.4
135.04420	0.7
137.03059	3.6
137.05971	75.0
137.09550	2.7
138.06348	2.4
138.09149	1.0
138.10150	0.7
142.03493	6.4
142.96643	0.5
147.04407	45.6
147.08018	2.5
147.11658	1.6
148.04797	2.2
148.08626	2.1
150.06734	1.5
151.07544	1.1
160.04553	2.7
165.01828	0.9
165.04182	0.4
165.05521	8.4
165.06960	1.5
165.07559	1.1
165.09100	21.2
165.11357	3.9
165.12762	2.5
166.04997	1.0
166.08670	1.1
166.09853	0.6
172.51384	0.4
176.75642	0.4
178.05658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02386	0.4
53.03940	0.8
55.01866	0.7
55.05501	1.0
56.05032	0.5
57.03421	0.4
57.07074	0.5
59.04998	0.3
65.03936	2.2
67.05503	4.6
68.05019	0.8
69.03409	1.2
69.04537	0.3
69.07056	1.3
70.06570	0.4
71.04988	0.5
73.85190	0.3
77.03937	0.4
79.05491	2.9
80.05028	0.5
81.03417	0.7
81.04559	0.4
81.07058	5.5
82.06570	0.8
83.05000	0.6
83.06096	0.7
83.08610	0.3
85.02895	0.4
85.07657	0.6
91.05478	37.3
92.05805	0.9
93.07037	1.9
94.04172	0.4
95.04974	7.2
95.06111	0.5
95.08610	4.3
97.06512	0.4
97.07640	0.5
98.21523	0.8
99.03928	0.3
101.00861	0.6
103.05486	0.7
105.03385	0.4
105.07021	4.0
107.04971	0.9
107.06085	0.5
107.08591	5.5
108.05701	0.4
109.02864	0.3
109.06532	4.1
109.07643	0.7
109.10133	1.7
110.07170	0.5
111.09193	0.4
117.07020	0.6
119.01941	5.8
119.04937	61.8
119.08574	6.2
120.05268	1.0
120.08099	2.7
121.06502	0.5
121.10137	1.8
122.03667	0.9
122.07175	1.1
123.04443	3.9
123.08056	4.8
123.11702	2.8
124.08765	0.7
125.09506	0.5
133.02827	1.5
133.06491	0.6
135.04388	0.3
137.02995	2.4
137.05966	3.6
137.08000	0.3
137.09610	2.2
137.13235	0.9
138.03012	0.3
138.05560	0.5
138.06554	0.5
138.09157	0.4
138.10191	0.4
142.03505	4.1
147.04405	100.0
147.08040	2.2
147.11664	2.0
148.04738	3.2
148.08716	0.8
150.03117	0.5
160.04561	0.9
165.01775	0.4
165.05496	8.3
165.06989	0.4
165.07607	0.9
165.09081	3.1
165.11385	1.4
165.12729	9.2
166.04971	0.8
166.08591	0.5
168.04218	0.5
180.53806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03943	2.3
55.01872	3.4
55.05500	1.0
57.03427	0.5
61.29031	0.4
65.03920	2.3
67.05511	2.6
69.03430	0.7
69.07042	0.6
70.06567	3.1
71.04966	0.7
71.33480	0.5
77.03918	0.9
79.05492	21.0
80.72617	0.4
81.03412	0.9
81.07055	4.7
83.04987	0.9
83.93030	0.8
91.05482	9.6
93.03410	0.8
93.07051	1.8
94.04171	2.7
95.04966	13.3
95.08602	3.2
96.05315	0.5
98.20828	0.7
101.00906	1.9
103.05470	12.2
105.07028	100.0
106.07352	3.4
107.04963	1.7
107.08596	1.8
109.02888	1.0
109.06511	7.9
109.10178	1.3
111.04446	1.4
115.05444	1.0
118.04238	0.7
119.01925	13.0
119.04940	9.1
119.08563	3.6
120.02001	0.6
120.08086	0.9
121.06491	1.1
121.10159	0.5
122.03642	6.3
122.07281	0.9
123.04436	2.1
123.08051	0.8
124.02484	0.6
124.05212	3.5
125.05945	0.5
133.02797	1.2
133.06488	71.2
134.06796	2.8
135.04442	1.1
137.03053	5.4
137.05972	94.1
137.09615	1.9
138.05408	0.7
138.06325	3.2
142.03502	8.4
142.96707	1.9
143.03688	0.6
147.03235	0.9
147.04408	15.7
147.08069	1.5
147.11684	1.5
148.04791	0.6
150.06773	2.6
151.07579	0.9
160.04544	3.2
165.01843	0.7
165.05441	9.0
165.07007	2.6
165.09097	24.4
165.10469	1.2
165.12740	6.2
166.04977	1.7
166.08501	0.7
166.09705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02371	1.2
53.03944	7.6
55.01855	0.9
60.28319	0.5
64.03143	0.6
65.03938	0.7
66.04708	0.9
67.05496	2.1
70.44079	1.9
77.03932	2.5
79.05495	25.7
81.03415	2.0
81.07053	2.0
91.05476	5.3
92.02618	1.9
93.07025	0.7
94.04182	2.0
95.04973	14.9
95.08606	0.9
101.00837	0.4
105.03400	0.5
105.04514	2.0
105.06989	2.4
106.20426	0.5
107.04220	0.6
107.04948	8.7
107.08605	0.6
109.06506	1.6
109.10149	0.7
109.90813	0.5
118.06506	0.5
119.01910	5.5
119.04933	4.2
119.08602	1.1
120.02076	3.4
120.08073	0.5
121.06484	0.5
122.03647	3.7
123.08043	0.9
125.05946	0.4
133.06516	1.0
135.04408	2.7
137.02945	2.2
137.05994	3.2
137.09647	1.1
138.03130	4.7
142.03497	3.7
147.04410	6.1
150.03101	3.4
160.04575	1.3
165.05481	100.0
165.09145	2.1
165.12764	1.8
166.05995	2.3
166.08701	0.6
178.37894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02354	0.3
53.03937	0.6
55.01861	0.7
55.05495	0.5
56.05024	1.0
58.06581	0.6
63.02360	0.2
65.03935	1.7
65.71696	0.2
67.05508	1.6
68.05020	1.5
69.07065	0.2
70.06596	1.2
71.06125	0.2
71.63300	0.3
71.63686	0.4
79.05497	1.6
80.05006	0.7
81.03407	0.5
81.04526	0.9
81.07056	1.9
82.06566	0.7
83.04985	0.4
83.06121	1.7
85.07651	0.6
89.03903	0.3
91.05479	28.3
92.05820	0.6
93.07047	1.7
94.04167	0.2
95.04977	3.4
95.06086	0.8
95.08595	1.0
97.02930	0.3
97.07640	0.7
98.07182	0.8
101.00880	1.6
103.05468	0.6
103.06625	0.2
105.03371	0.6
105.04510	0.3
105.07043	1.5
107.04934	0.5
107.06075	0.9
107.08590	0.8
108.06847	0.3
109.02860	0.3
109.06524	1.7
109.07626	1.0
109.10169	1.2
110.06116	0.2
110.07179	0.4
110.08356	0.2
111.09225	0.5
117.06982	0.3
119.01932	9.2
119.04940	54.6
119.08574	3.1
120.01985	0.4
120.05241	1.4
120.08103	0.8
121.06531	0.3
121.07604	0.7
121.10140	0.3
122.03694	0.4
122.07188	1.1
123.04433	3.5
123.08070	1.4
124.02450	0.4
124.08703	1.4
125.09491	0.8
133.02855	1.5
135.04413	0.4
136.08698	0.4
137.02121	0.2
137.02992	3.4
137.04947	0.5
137.05975	2.6
137.06961	0.4
137.09592	1.2
138.03107	0.3
138.10258	0.7
142.03497	5.0
142.96687	0.3
143.03604	0.3
147.04407	100.0
147.11662	0.5
148.04770	2.9
148.08691	1.2
150.03098	0.3
160.04553	1.7
165.01831	0.8
165.03210	0.4
165.05498	8.2
165.07695	0.4
165.09102	2.5
165.11371	2.6
165.12715	0.8
166.04898	0.4
166.08556	0.2
166.09813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
51.02365	0.5
53.03940	2.3
56.96548	0.6
57.23631	0.5
67.05487	0.6
70.69446	1.4
71.36853	0.5
75.02351	0.5
77.03922	1.2
79.05489	5.3
81.03413	0.7
81.07040	1.8
91.05476	3.1
92.02605	1.9
93.07043	0.8
93.47728	0.5
94.04189	0.8
95.04962	5.5
95.08596	0.5
101.00838	1.1
103.88544	0.5
105.03387	1.6
105.04528	0.9
105.07024	1.3
107.01307	14.7
107.04958	2.9
107.08586	1.0
109.06522	3.7
114.99889	0.5
118.94681	0.5
119.01908	5.8
119.04940	3.3
119.08627	2.3
120.02031	0.9
121.02885	0.6
122.03642	28.0
123.08069	1.6
123.11674	0.5
125.05991	1.5
133.02861	0.5
135.04396	3.4
137.02948	2.0
137.05969	1.7
137.09575	0.5
142.03510	4.9
142.96713	0.5
147.04420	5.4
147.08044	0.7
147.11670	0.9
149.07318	0.5
150.03117	24.2
151.03383	0.5
160.04558	1.5
165.05473	100.0
165.09177	1.7
165.12740	1.8
166.05872	3.2
168.04176	26.8
169.04422	0.5
176.59964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Caffeic aldehyde
Peak:m/z	Relative Intensity
50.01580	0.4
51.02371	0.5
53.00306	0.4
53.03706	0.4
53.03945	7.5
54.04718	0.3
55.01862	1.0
55.05498	0.6
64.03151	0.9
65.03924	1.1
66.04698	0.9
67.01852	0.4
67.05502	2.6
68.99780	0.5
69.03419	0.9
71.64851	0.5
71.65216	0.3
77.03929	1.8
79.05492	23.1
81.03394	1.2
81.07057	2.6
83.04971	0.4
83.93027	0.4
91.05479	5.8
92.02614	1.9
93.07017	1.1
94.04185	2.5
95.04967	15.3
95.08580	1.4
101.00874	0.6
103.05465	0.4
105.03396	0.7
105.04510	2.8
105.07050	1.9
107.04955	7.6
107.08556	0.6
109.06522	2.4
109.10149	0.9
119.01910	6.8
119.04934	6.0
119.08584	2.1
120.02073	3.0
120.08085	0.5
121.02854	0.4
121.10123	0.7
122.03639	4.4
123.04422	0.6
123.08057	0.9
123.11671	0.5
133.02831	0.9
133.06497	0.7
135.04430	2.6
135.05342	0.4
137.02986	3.2
137.05980	4.1
137.06947	0.5
137.09639	1.1
138.03105	4.1
138.05498	0.4
142.03488	5.0
142.96710	1.1
143.03801	0.4
147.04404	11.5
147.08052	0.8
147.11720	0.5
150.03107	4.1
153.05467	0.6
160.04541	1.6
165.05470	100.0
165.09088	2.5
165.12688	1.5
166.05946	2.6
166.08531	0.4
166.09778	0.6
168.04063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.6
53.03945	2.9
55.01864	1.0
55.05514	5.1
57.07084	0.7
59.19014	0.6
63.02377	1.2
65.03946	1.6
67.05501	6.1
69.03432	0.6
69.07066	9.5
70.86964	1.5
77.03947	1.3
79.05492	40.9
80.05817	1.2
81.07053	81.4
81.79585	0.6
82.07378	1.5
83.08620	5.7
88.84839	0.7
89.03915	40.5
90.04253	1.2
91.05477	10.5
93.07036	22.2
94.07398	0.9
95.04961	5.1
95.08605	19.4
96.08911	0.7
103.05465	9.9
105.03373	0.8
105.04505	1.6
105.07025	6.9
107.04951	13.5
107.08589	100.0
108.08930	3.8
109.06493	2.1
109.10185	0.9
117.03375	31.5
117.07027	2.1
118.03698	1.7
119.06067	0.8
119.08598	1.5
121.10142	16.9
130.06470	0.9
131.04926	10.0
132.08102	0.8
133.02809	2.0
135.04411	57.0
135.08017	1.8
135.11684	6.7
136.04765	2.9
136.07593	1.4
145.02843	24.5
145.03908	1.0
145.06436	0.7
145.10091	1.7
146.03136	2.1
158.05983	1.0
163.03900	68.7
163.07513	5.0
163.09811	1.0
163.11122	4.1
163.14816	28.9
164.04303	3.7
164.06992	2.9
164.15137	1.5
171.28944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74725	0.4
53.03941	1.3
53.26907	0.5
55.01860	0.8
56.96568	19.1
57.03444	3.5
58.99862	0.5
59.04994	2.0
61.02916	0.5
69.03414	0.6
69.37632	0.5
69.57070	3.8
70.98125	4.0
70.99840	0.8
71.01346	1.6
71.04996	2.4
71.95259	1.0
73.02914	1.1
74.03690	1.1
81.03419	4.9
82.01810	1.2
82.99837	1.5
84.96038	1.2
85.02905	4.2
85.13871	0.4
87.01025	0.5
87.04472	5.3
88.99147	1.6
89.00851	0.8
89.06023	1.1
90.01550	1.4
91.02360	1.0
94.01787	0.6
95.00775	1.1
95.04981	0.8
96.01569	2.9
97.02341	1.6
97.02905	0.5
97.96809	6.6
97.99178	0.5
98.01338	0.5
98.20730	0.9
98.97588	6.8
99.02088	1.0
99.04453	1.7
100.02470	1.7
100.05238	3.1
101.00882	30.9
101.06063	0.5
101.07114	0.4
102.00961	1.3
103.02327	1.3
104.01288	1.6
105.02083	1.2
106.00312	0.4
106.02844	1.2
108.01522	1.4
108.53114	0.7
109.02867	3.6
110.01282	1.8
110.97578	3.6
111.02080	0.5
112.02838	0.9
112.99081	0.7
114.06792	1.2
115.05250	0.4
115.97828	3.7
116.98617	2.2
117.02051	6.8
118.03504	0.6
119.01922	100.0
120.01975	4.3
121.02431	0.5
121.52157	0.6
123.04446	1.2
124.02443	4.1
124.99080	0.4
126.02578	9.9
126.52689	0.8
127.03943	0.9
128.98605	4.0
131.00194	2.2
131.01895	0.6
133.03421	1.2
133.98900	1.2
134.99629	0.5
135.03099	13.5
135.53316	1.0
137.02957	27.3
137.53366	0.8
138.03078	1.1
142.03500	49.3
143.00209	1.1
143.03622	1.8
146.53896	1.1
146.99663	3.5
148.00365	0.4
149.01196	1.2
151.04420	1.5
152.00134	0.5
155.01897	0.5
156.05060	0.5
160.04562	13.5
161.01254	1.1
161.02997	0.5
161.04601	0.5
162.99113	0.4
165.05154	1.9
173.01224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92110	0.4
71.14129	0.9
82.99835	1.7
86.66857	0.4
100.02497	1.0
101.00873	26.9
102.00993	0.7
118.03532	0.6
119.01911	100.0
120.01994	3.7
121.02310	0.6
124.02451	3.8
137.02948	28.0
138.03047	1.0
142.03490	55.7
143.03658	2.1
157.11145	0.4
160.04546	16.5
161.04729	0.8
165.05096	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01865	0.4
55.05501	0.5
56.96564	12.9
57.03434	1.0
59.04996	0.7
60.95848	0.6
61.02945	0.4
69.03432	1.1
70.88969	0.8
70.98127	1.2
71.01337	0.5
71.04982	0.8
71.15762	0.3
71.95252	1.3
72.04556	0.3
72.82661	0.4
73.02898	0.9
74.97615	0.5
80.94934	0.5
81.03434	1.6
82.01428	0.4
82.99809	2.0
84.96024	1.1
85.02907	1.9
87.04459	1.9
88.99177	0.5
91.02362	0.6
91.05471	2.3
95.04960	7.0
96.01535	1.1
97.02321	0.5
97.02898	0.5
97.96809	2.1
98.97577	4.6
99.04462	0.9
100.02479	1.1
100.05232	0.6
101.00874	20.5
102.00973	0.6
103.02322	0.9
103.05432	0.4
104.01287	0.9
108.01535	0.7
109.02877	1.0
110.01316	0.5
110.97581	1.5
110.98245	0.4
111.02111	0.4
112.02803	0.3
114.06774	0.4
115.02447	0.7
115.97809	1.2
116.98605	1.6
117.02032	1.8
118.03517	0.8
119.01914	100.0
119.04906	4.9
120.01993	3.4
121.06532	0.5
121.97574	0.4
123.03559	0.7
123.04420	9.9
124.02423	4.5
126.02557	4.3
126.52750	0.4
128.98607	2.2
131.00171	0.8
133.03432	1.3
134.99631	1.0
135.03088	5.2
136.06158	0.6
137.02950	33.6
137.53310	0.5
138.03030	0.9
141.05168	0.4
142.03493	60.2
142.96509	0.5
143.00136	1.2
143.01904	0.6
143.03595	3.2
145.01695	0.4
145.03389	0.3
146.53859	0.5
146.99629	1.0
147.04388	1.8
148.06143	0.5
149.01189	0.7
151.04393	0.8
155.00204	0.5
156.05151	0.4
160.04553	20.2
160.95993	0.5
161.01233	1.1
161.02910	1.3
161.04677	0.9
165.05125	2.7
166.07277	1.6
166.08473	0.5
173.01199	1.5
177.00635	0.3
182.99710	0.4
183.06133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03941	3.1
55.01865	0.8
55.05511	5.4
57.07085	0.6
58.99184	0.4
63.02379	0.7
63.88039	0.5
67.05502	5.0
69.07065	10.3
70.58610	2.1
77.03938	1.0
78.27038	0.4
79.05492	37.9
80.05840	0.6
81.03410	0.8
81.07054	75.9
81.17291	0.4
82.07396	2.1
83.08623	5.8
89.03918	18.8
90.04224	1.0
91.05471	8.7
92.02630	1.0
93.07044	23.0
94.07385	0.7
95.04974	6.7
95.08603	17.9
96.08927	0.6
97.10230	0.4
103.05457	3.7
105.03391	1.1
105.04498	1.2
105.07030	6.4
106.96201	0.6
107.04958	12.2
107.08591	100.0
108.08909	3.3
109.06506	1.5
109.10145	1.7
115.05459	1.7
117.03377	14.4
117.06999	1.1
118.03681	0.6
119.04849	0.6
119.06145	0.5
119.08556	0.8
120.05703	0.6
121.06509	0.7
121.10143	14.6
122.10489	0.9
131.04959	1.6
133.02863	5.4
135.04414	28.1
135.08034	3.4
135.08923	0.7
135.11700	4.9
136.04790	1.1
145.02852	8.8
145.03963	1.0
145.10101	0.7
146.03166	0.6
160.39787	0.5
163.03897	40.7
163.07529	3.0
163.11188	1.4
163.14815	31.6
164.04297	3.4
164.07092	0.9
164.15164	1.6
167.31850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02379	1.1
53.03945	8.6
55.01854	2.5
55.05300	0.6
55.05515	6.9
56.96556	1.0
57.07071	1.0
61.02928	3.4
65.03931	1.6
67.05507	16.1
69.03413	1.5
69.07068	9.6
69.65124	2.3
69.65555	2.4
71.05007	0.6
73.02934	1.0
77.03928	2.1
79.05495	46.6
80.04993	0.7
80.05823	1.5
81.03401	1.5
81.07059	39.9
82.07363	1.3
82.29482	0.5
83.04983	0.6
83.08617	5.5
85.02920	2.9
89.03922	11.1
90.73947	0.6
91.03978	0.8
91.05482	22.7
92.02101	0.5
92.02616	2.8
92.05825	0.8
93.07044	50.1
94.07390	1.1
95.04967	18.0
95.08608	27.3
96.05317	0.9
96.08919	0.8
97.02919	0.6
97.10178	1.2
100.02468	1.3
103.05466	7.6
105.03394	5.2
105.04529	3.7
105.07035	10.6
106.06544	1.9
106.07324	1.0
107.04958	12.6
107.08598	51.1
108.08930	2.1
109.06510	1.2
109.10185	1.4
115.05466	5.5
117.03377	7.4
117.05741	0.7
117.07017	16.3
118.03534	1.9
118.06564	0.9
118.07329	0.9
119.04951	1.2
119.08573	6.1
119.15155	0.5
120.02055	0.6
120.05672	0.8
120.08937	0.6
121.06512	2.9
121.10142	41.8
122.10477	1.2
130.06537	2.3
130.07796	1.5
131.04926	4.5
132.08093	2.9
133.02853	21.0
134.03206	1.2
135.04419	39.9
135.08052	7.4
135.11699	7.2
136.04759	1.9
136.07500	2.8
143.08548	1.0
145.02850	6.3
145.06473	4.2
145.10112	7.1
147.04414	0.8
163.03909	100.0
163.07533	9.5
163.11186	15.9
163.12355	1.3
163.14824	36.7
164.04364	5.4
164.07034	8.9
164.15240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03943	8.6
55.01853	1.4
55.05507	7.2
57.07064	3.0
63.72409	0.7
65.03939	1.4
67.05502	6.7
69.03418	1.0
69.06712	1.3
69.07066	18.1
71.08634	0.8
71.65004	1.4
72.93861	0.7
77.03908	1.7
79.05487	29.3
81.07053	37.7
83.08617	6.7
89.03903	7.5
91.05476	17.3
92.02630	2.7
93.07037	39.3
94.07362	1.1
95.04964	16.6
95.08599	25.7
96.05335	0.8
100.02469	1.5
103.05489	4.3
105.03402	4.2
105.04501	3.5
105.07018	9.2
107.04942	7.7
107.08588	100.0
108.08921	2.3
109.06496	2.7
109.10135	1.5
113.61835	0.6
115.05427	2.0
117.03379	6.8
117.07025	6.6
118.03587	1.0
119.04941	1.4
119.08560	6.6
121.06501	2.1
121.10139	33.1
122.10522	1.0
123.08064	0.7
130.06522	1.7
130.07779	1.1
131.04913	4.4
132.08093	2.0
133.02843	21.9
133.06462	0.7
134.03206	2.0
135.04408	35.7
135.07970	3.3
135.11685	13.5
136.04741	2.0
136.07578	1.8
138.03160	1.1
145.02847	3.7
145.06487	2.7
145.10121	3.0
163.03896	88.9
163.07497	6.3
163.11165	10.3
163.14815	49.4
164.04416	4.6
164.05707	0.9
164.07010	5.4
164.15147	1.9
183.15582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.12991	0.4
51.02380	0.5
53.03951	3.1
55.05510	7.9
57.07076	1.9
58.21309	0.5
58.94342	0.4
65.03940	1.0
67.05503	7.3
69.07068	17.8
69.86925	2.7
71.08628	0.9
77.03932	0.7
77.55840	0.5
79.05491	27.3
80.05833	0.6
81.07053	38.3
82.07381	0.7
83.08618	7.1
89.03933	2.9
91.05476	13.9
91.06015	0.8
92.02605	0.6
92.05795	0.9
93.07041	45.5
94.07399	0.7
95.04967	6.8
95.08606	26.1
96.08939	0.7
97.10161	0.7
103.05470	2.0
105.03391	2.1
105.04523	1.4
105.07021	8.1
106.06544	0.5
106.07391	0.6
107.04964	3.1
107.08592	100.0
108.08876	3.1
109.06519	2.3
109.10158	1.6
115.05439	1.0
117.03342	1.1
117.07027	2.0
119.04974	0.7
119.06062	1.2
119.08565	3.3
121.06484	0.6
121.10139	32.6
122.10504	1.1
123.08049	0.8
131.04938	1.2
132.08104	1.0
133.02855	6.1
133.10106	0.8
133.23082	0.5
135.04420	9.3
135.08051	0.9
135.11690	12.9
136.04790	0.8
136.07523	1.1
136.12032	0.8
137.09538	0.5
145.02876	1.3
145.06424	0.6
145.10141	1.7
161.13281	0.5
163.03906	27.5
163.07553	3.9
163.11189	4.1
163.14821	52.7
164.04300	1.5
164.06992	3.3
164.15187	2.0
166.55542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01588	0.6
51.02375	1.1
53.03943	9.0
55.01859	1.6
55.05507	9.1
56.96564	0.9
57.07068	1.0
62.12086	0.6
65.03926	1.3
67.05497	9.7
69.03425	0.8
69.07063	13.1
69.42242	5.7
77.03932	2.1
79.05486	36.5
79.67199	0.6
80.05818	1.6
81.03417	1.0
81.07050	56.1
82.07378	1.7
83.08614	6.8
85.21783	0.5
89.03914	11.3
91.05472	17.7
92.02618	4.4
92.05768	0.8
93.07036	41.6
94.07368	1.2
95.04961	16.3
95.08598	25.9
96.05295	0.9
97.10152	0.9
100.02518	1.0
103.05432	5.8
105.03390	4.8
105.04498	3.4
105.07024	10.3
106.07362	0.8
107.04951	11.9
107.08585	82.2
108.08929	2.1
109.06513	2.5
109.10150	1.9
115.05442	3.4
117.03374	7.7
117.05756	1.0
117.07003	8.9
119.04938	3.9
119.06075	0.8
119.08589	4.3
121.06527	2.0
121.10135	25.0
122.10458	1.1
128.02449	0.6
130.06496	1.8
130.07785	1.0
131.04921	4.4
132.05325	0.7
132.08115	2.5
133.01834	1.1
133.02840	23.7
133.06519	0.8
134.03217	1.1
135.04407	38.4
135.08034	4.2
135.11685	13.7
136.04767	1.9
136.07590	2.9
138.03038	0.7
143.08563	0.9
145.02841	6.0
145.03897	0.9
145.06494	3.1
145.10112	4.4
161.13295	0.6
163.03894	100.0
163.07504	7.8
163.11153	11.3
163.12398	1.0
163.14806	39.1
164.04323	5.7
164.07030	7.2
164.15158	2.4
169.90906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05513	4.7
57.07069	0.6
63.48750	0.4
65.03946	0.5
67.05163	0.5
67.05506	5.1
69.06712	0.7
69.07066	8.3
70.44993	0.9
70.45393	0.6
75.51863	0.4
77.03904	0.5
79.05490	31.2
79.16180	0.4
80.05833	0.5
81.03460	0.4
81.07053	73.7
82.07389	1.4
82.23976	0.4
83.08608	5.5
89.03933	0.8
91.05479	8.6
93.07043	22.7
94.07400	0.9
95.04958	1.8
95.08605	21.5
96.08919	0.7
97.10139	1.0
98.21529	0.4
105.07035	4.2
107.08591	100.0
108.08907	2.7
109.06523	1.5
109.10159	1.2
115.05488	0.7
117.06995	3.1
119.08586	1.3
121.10142	14.2
122.10445	0.5
130.06419	0.4
133.02846	0.6
135.04424	1.4
135.11693	5.6
137.21449	0.4
145.06485	2.2
163.03911	4.5
163.07549	1.1
163.14819	34.5
164.15170	1.1
167.97247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03953	1.2
55.05510	4.7
57.07061	0.5
65.03947	0.5
67.05504	4.8
69.07061	8.3
70.82796	1.0
77.03915	0.4
79.05489	33.6
80.05820	0.6
81.07051	78.1
82.07390	1.7
83.08614	5.1
89.03896	1.4
91.05474	7.3
93.07039	19.5
94.07372	0.6
95.04954	1.4
95.08601	20.2
96.08949	0.4
97.10186	0.4
98.42374	0.3
103.05472	0.5
103.88774	0.4
105.04528	0.5
105.07032	4.6
107.08587	100.0
108.08914	3.2
109.06508	1.8
109.10156	1.0
117.03377	0.8
117.07070	0.4
119.06068	0.6
119.08567	1.0
121.06436	0.4
121.10136	13.3
122.10451	0.4
131.04987	0.3
133.02873	1.0
135.04402	2.4
135.10686	0.5
135.11688	5.2
145.02873	0.5
145.10138	0.4
163.03897	5.0
163.07526	0.5
163.11145	0.8
163.14810	26.4
164.15141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02370	0.5
53.03941	3.1
55.01865	0.8
55.05511	5.4
57.07085	0.6
58.99184	0.4
63.02379	0.7
63.88039	0.5
67.05502	5.0
69.07065	10.3
70.58610	2.1
77.03938	1.0
78.27038	0.4
79.05492	37.9
80.05840	0.6
81.03410	0.8
81.07054	75.9
81.17291	0.4
82.07396	2.1
83.08623	5.8
89.03918	18.8
90.04224	1.0
91.05471	8.7
92.02630	1.0
93.07044	23.0
94.07385	0.7
95.04974	6.7
95.08603	17.9
96.08927	0.6
97.10230	0.4
103.05457	3.7
105.03391	1.1
105.04498	1.2
105.07030	6.4
106.96201	0.6
107.04958	12.2
107.08591	100.0
108.08909	3.3
109.06506	1.5
109.10145	1.7
115.05459	1.7
117.03377	14.4
117.06999	1.1
118.03681	0.6
119.04849	0.6
119.06145	0.5
119.08556	0.8
120.05703	0.6
121.06509	0.7
121.10143	14.6
122.10489	0.9
131.04959	1.6
133.02863	5.4
135.04414	28.1
135.08034	3.4
135.08923	0.7
135.11700	4.9
136.04790	1.1
145.02852	8.8
145.03963	1.0
145.10101	0.7
146.03166	0.6
160.39787	0.5
163.03897	40.7
163.07529	3.0
163.11188	1.4
163.14815	31.6
164.04297	3.4
164.07092	0.9
164.15164	1.6
167.31850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02361	1.1
53.03950	8.8
54.98903	0.6
55.01854	2.0
55.05503	6.8
55.83906	0.7
56.96545	1.6
57.03442	4.0
65.03939	1.3
67.05507	22.1
68.46299	0.6
69.03417	1.8
69.07066	8.1
69.32684	0.7
69.98184	3.1
75.11048	0.6
77.03940	3.1
79.05492	61.1
80.05842	1.6
81.03407	1.5
81.07054	26.0
83.05001	1.0
83.08613	1.3
89.03921	10.9
91.05479	38.7
92.02625	4.1
92.05803	1.0
93.07040	82.1
94.07367	2.3
95.04963	17.4
95.08600	6.4
103.05457	6.6
105.03399	5.6
105.04496	5.1
105.07030	22.1
106.06546	1.2
106.07317	0.8
107.04953	12.5
107.08593	67.8
108.08914	2.2
109.06511	1.9
112.89808	0.7
115.05419	4.4
117.03378	8.2
117.07019	20.0
118.03523	0.7
118.07342	1.1
119.04952	1.4
119.08576	5.4
119.82695	0.6
120.08065	0.8
121.06490	2.9
121.10138	8.1
124.76826	0.6
128.06223	1.7
129.07021	1.4
130.06529	1.7
130.07779	8.6
131.04935	3.6
132.08141	3.5
132.09018	0.6
133.02850	21.8
133.06465	0.8
133.10135	5.0
134.03154	0.7
135.04419	37.1
135.08080	4.7
135.11688	67.2
136.04808	1.6
136.07556	2.9
136.12016	1.5
138.03119	1.7
143.08542	2.8
145.02831	5.3
145.03909	0.9
145.06485	2.4
145.08939	0.7
145.10117	23.2
163.03903	100.0
163.07524	6.6
163.11174	32.2
163.12294	1.3
163.14822	11.3
164.04350	3.9
164.07043	9.7
164.11551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01583	0.6
51.02379	0.9
53.03939	8.2
55.01863	1.7
55.05249	0.9
55.05504	9.7
56.96556	1.1
57.03431	1.1
57.07076	1.0
63.02359	0.6
65.03927	1.6
67.05495	11.6
68.99783	0.5
69.01311	0.4
69.03423	1.2
69.07062	14.4
69.64331	1.6
69.64752	3.0
71.05003	0.7
77.03925	1.9
79.05486	48.4
80.05831	1.1
81.03403	1.7
81.07049	63.8
82.07384	1.5
83.08612	6.5
84.08154	0.6
85.02895	0.7
89.03911	13.4
91.05470	19.4
92.02627	4.0
93.07033	48.3
93.73323	0.6
94.07397	0.8
95.04349	0.9
95.04960	20.0
95.08598	34.1
96.05302	0.9
96.08945	0.7
97.10151	1.1
98.21461	1.0
100.02457	1.8
103.05463	6.4
105.03398	5.7
105.04495	3.8
105.07021	13.3
106.06577	0.7
107.04950	14.2
107.08584	93.8
108.08245	0.5
108.08894	2.5
109.06531	3.1
109.10117	2.5
115.05430	3.6
117.03371	9.8
117.07008	10.9
118.03564	1.7
118.06535	1.1
119.04927	4.4
119.06039	0.9
119.08573	3.7
120.02052	0.8
120.08078	0.5
120.08947	0.8
121.06499	2.3
121.10130	30.4
130.06509	1.8
130.07788	1.3
131.04933	5.0
132.08072	2.0
133.02841	24.6
133.10136	1.2
134.03148	1.6
135.04405	43.2
135.08022	6.1
135.10657	1.0
135.11674	14.3
136.04715	2.2
136.07545	1.9
138.03127	1.5
145.02838	6.6
145.03867	1.0
145.06491	2.8
145.10115	5.0
161.13235	0.5
163.03891	100.0
163.07518	7.5
163.11157	15.3
163.12343	1.0
163.14807	45.9
163.47359	0.6
164.04300	5.7
164.07004	4.5
164.15161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01588	1.0
51.02357	0.9
53.03942	8.6
55.01859	1.1
55.05505	6.5
57.07067	1.7
62.02766	0.6
65.03927	1.5
67.05502	8.5
69.07065	14.2
71.08604	0.8
71.64728	0.7
77.03923	1.6
79.05490	31.9
80.05818	1.3
81.03396	1.2
81.07053	37.1
82.07369	0.6
83.08601	5.6
87.01257	0.6
89.03911	6.3
91.05475	15.4
91.39408	0.6
92.02621	3.1
93.07040	36.1
94.07357	1.2
95.04966	17.4
95.08602	26.1
96.05257	0.8
96.08942	1.0
97.10153	0.8
100.02477	1.1
103.05451	5.9
105.03404	4.7
105.04514	3.8
105.07032	7.6
107.04948	9.4
107.08589	75.9
108.08921	2.5
109.06502	2.8
109.10133	1.8
114.88430	0.6
115.05452	2.0
117.03359	4.3
117.07017	7.1
118.03529	0.8
118.07351	0.6
119.04925	2.3
119.08570	3.6
120.29893	0.7
121.06492	1.9
121.10132	28.0
122.10441	1.2
123.08110	0.8
130.06528	2.7
130.07736	0.9
131.04939	5.1
132.08075	1.4
133.02852	24.0
133.10123	0.7
134.03127	1.3
135.04410	33.1
135.08035	3.6
135.11685	9.9
136.04755	1.4
136.07555	2.7
138.03098	1.2
145.02864	3.6
145.03842	0.9
145.06496	2.1
145.10117	4.2
163.03900	100.0
163.07512	6.3
163.11159	12.5
163.12392	1.0
163.14810	45.4
164.04318	6.2
164.05516	0.9
164.05762	1.0
164.07037	8.9
164.08199	0.9
164.15170	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03945	5.8
55.01876	1.8
55.05516	6.6
56.91429	0.7
57.03434	0.8
57.07068	1.8
63.02338	1.0
63.37718	0.6
65.03947	1.6
67.05500	2.0
68.05029	0.8
69.03425	5.6
69.07068	6.1
70.16916	0.5
70.81380	0.7
71.64710	1.0
77.03926	1.5
77.26423	0.6
79.05485	22.5
81.03423	0.7
81.04554	0.7
81.07062	6.3
83.08627	1.6
85.02889	0.8
85.45453	0.6
89.03913	35.8
90.04253	1.2
91.05479	24.1
92.02626	1.3
92.05804	1.2
93.07039	52.4
94.07336	0.9
95.04961	10.8
95.06089	1.5
95.08578	3.4
96.06868	0.9
103.05457	20.1
104.05750	0.7
104.13385	0.6
105.03384	2.5
105.04530	2.9
105.07027	20.5
106.06556	0.7
107.04950	16.1
107.08590	100.0
108.05657	0.7
108.08936	2.5
109.06515	5.4
115.05460	3.1
117.03374	29.4
117.05731	0.9
117.07020	8.0
118.03654	1.3
119.04925	1.6
119.06055	2.4
119.08574	15.8
120.09389	2.2
121.06494	5.3
121.10136	25.6
122.07147	2.4
122.10541	0.7
123.08001	2.2
130.06485	1.8
130.07773	3.0
131.04921	23.2
132.08110	1.5
133.02844	6.8
133.06479	1.0
133.10101	1.2
135.04410	57.9
135.08057	5.2
135.11685	90.7
136.04721	3.1
136.07643	1.5
136.08655	1.7
136.12025	2.8
145.02840	19.1
145.03914	1.2
145.06483	2.1
145.10104	9.8
146.03256	1.0
148.05167	1.2
148.08786	0.8
157.33946	0.7
163.03899	69.9
163.07538	12.2
163.09819	3.6
163.11147	33.2
163.12262	1.3
163.14835	7.0
164.04274	2.8
164.07057	2.3
164.11554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
53.03936	0.9
53.46520	0.3
55.01870	1.9
65.03938	1.4
65.93315	0.3
67.05516	0.6
67.18796	0.3
69.03415	0.7
70.79962	0.9
75.35391	0.4
77.03915	0.4
79.05492	11.4
80.05861	0.5
81.07079	0.7
89.03906	0.6
91.05477	56.4
92.05816	1.3
93.03401	0.4
93.07030	4.8
95.04949	2.1
103.05476	2.5
104.06235	1.6
105.03381	0.6
105.07042	5.0
107.04922	2.9
107.07888	0.3
107.08587	12.4
109.06490	1.8
115.05451	27.8
116.05704	0.6
116.06353	0.5
117.07012	100.0
118.07245	2.6
119.06089	0.8
119.08575	28.5
120.08906	0.9
121.06517	2.1
131.05032	0.4
131.06001	0.4
133.02878	0.9
133.06458	0.7
135.04407	3.8
135.08044	11.8
136.08395	0.4
145.06476	25.8
146.06807	1.3
148.50143	0.3
161.05986	0.5
163.03905	3.2
163.07538	36.5
164.07886	1.4
176.59886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01588	0.4
51.02376	0.8
53.03943	1.3
55.01863	0.5
55.05507	1.0
59.13613	0.3
61.25085	0.3
63.02366	0.6
67.05499	0.6
69.03394	0.4
69.07067	1.5
70.16543	1.6
70.73902	0.3
72.66406	0.3
77.03925	0.4
79.05498	5.7
79.21548	0.3
81.07051	4.1
82.34137	0.3
82.56956	0.3
83.08617	0.9
89.03916	18.9
90.04244	0.7
91.05474	3.2
93.07048	4.8
95.04980	3.3
95.08611	2.5
102.04673	0.5
103.05467	84.0
103.37498	0.4
104.05785	2.8
105.03413	0.6
105.04530	0.8
105.07055	2.0
107.04949	7.2
107.08592	8.4
109.06496	0.3
115.05468	1.0
117.03382	14.9
117.07048	2.1
118.03696	0.6
119.05010	0.4
119.08585	0.7
120.05726	0.6
121.06491	0.4
121.10142	2.9
130.06526	0.4
131.04926	100.0
132.02080	0.4
132.05246	4.0
133.02855	1.3
133.06447	0.5
135.04416	28.4
135.08034	1.3
135.11668	1.5
136.04747	1.5
136.07558	0.3
145.02843	11.2
145.03986	0.7
145.06488	0.9
145.10126	0.7
148.05183	0.9
163.03905	27.7
163.07544	39.1
163.11134	3.7
163.14832	4.0
164.04230	1.2
164.07906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.00279	0.8
53.03939	4.0
53.85366	0.6
55.01866	2.3
55.05507	3.0
57.03437	1.2
57.07068	0.7
60.75874	0.6
63.02366	1.6
67.05508	1.4
68.99789	0.9
69.03431	8.8
69.07061	5.6
71.05000	1.2
71.62136	1.0
77.03907	1.5
78.79227	0.6
79.05489	21.9
79.88393	0.7
80.05046	0.7
81.03413	0.9
81.04539	1.2
81.07056	12.0
83.04979	2.4
83.06089	1.1
83.08618	1.3
85.02892	1.8
88.46733	0.6
89.03915	64.1
90.04261	1.6
91.05479	15.9
93.07043	22.1
93.07632	1.1
95.04971	13.5
95.06085	1.8
95.08589	2.0
102.04680	1.2
103.05465	90.5
104.05762	4.4
105.03391	2.2
105.04523	2.6
105.07029	21.7
105.59626	0.8
106.07289	0.7
107.04952	23.1
107.06060	1.3
107.08595	33.6
108.05605	1.0
109.06515	2.1
109.41590	0.7
115.05441	3.0
117.03374	44.0
117.07014	9.4
118.03690	1.9
118.06544	0.7
119.04929	1.3
119.06068	1.1
119.08581	9.8
121.06503	7.1
121.10139	27.3
122.07150	3.2
122.10429	0.8
123.08002	2.9
128.06210	1.3
129.07016	1.5
130.04111	0.8
130.06561	1.3
130.07780	8.5
131.04926	100.0
132.05257	3.7
132.08098	1.6
133.02887	4.5
133.06459	2.2
133.10095	1.4
135.04411	87.8
135.08022	5.1
135.11694	15.1
136.04765	3.3
136.07643	1.3
136.08678	2.7
143.08549	1.7
145.02843	34.3
145.03905	1.8
145.06473	2.4
145.10121	30.5
145.11288	1.0
146.03203	1.4
146.05991	0.8
146.07074	0.7
146.10455	1.5
147.08018	1.8
147.09186	0.8
148.05219	4.0
148.08853	2.5
163.03903	85.5
163.07538	33.0
163.09792	4.2
163.11156	44.8
163.14774	3.9
164.04286	3.8
164.06882	3.6
164.11652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.99060	0.4
51.02382	1.0
53.03943	3.4
53.51084	0.5
55.01875	1.4
55.05510	0.8
63.02375	1.1
63.90059	0.5
65.03934	1.4
67.05490	1.4
68.99788	0.7
69.03434	1.4
69.07076	1.6
71.55683	0.8
77.03918	1.4
79.05489	13.2
80.05022	0.6
81.03387	1.0
81.07044	3.0
82.05304	0.9
83.06083	0.9
84.08119	0.4
85.02901	0.8
87.23322	0.4
89.03913	38.1
90.04260	1.1
91.05480	7.9
91.06003	0.7
92.02610	0.6
93.03400	1.2
93.07040	5.9
95.04964	7.2
95.06081	1.4
95.08615	1.3
97.07677	0.7
103.05463	88.6
104.05780	3.2
105.03383	1.5
105.04524	2.1
105.07025	4.9
106.06582	0.5
106.07341	0.6
107.04953	21.2
107.08582	9.7
108.05618	0.8
109.06544	0.8
109.07674	0.6
115.05429	2.4
117.03372	30.9
117.05746	0.6
117.07010	5.2
118.03661	1.5
119.04955	1.3
119.08552	2.2
120.05682	1.0
121.06497	2.3
121.10138	4.5
122.07162	2.1
123.07970	0.6
130.06543	0.9
130.07745	0.7
131.04919	100.0
132.05240	3.9
132.08098	1.4
133.02856	4.7
135.04410	65.2
135.08002	4.7
135.11649	3.5
136.04759	3.0
136.07556	1.7
136.08690	1.4
145.02840	22.5
145.03793	0.9
145.06503	2.3
145.10110	3.4
146.03183	0.6
146.07120	1.0
163.03897	70.2
163.07530	34.3
163.09789	2.6
163.11188	9.5
163.12363	0.9
163.14792	2.8
164.04320	4.0
164.06972	1.7
164.08138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01607	0.4
51.02367	0.7
51.80554	0.3
53.03945	2.6
55.01862	1.4
55.05497	1.2
57.07075	0.5
62.01585	0.5
63.02373	1.2
65.03939	1.3
67.05499	1.6
68.05029	0.9
68.99775	0.8
69.03423	1.7
69.07066	1.6
69.48872	0.3
71.62324	0.5
77.03947	1.4
79.05489	13.0
80.05008	0.6
80.05808	0.5
81.03413	1.0
81.04541	1.5
81.07031	2.6
82.05319	0.6
83.05000	0.4
83.08585	0.4
85.02898	0.6
88.77669	0.4
89.03912	37.1
90.04242	1.3
91.05471	8.2
92.02607	0.8
93.00275	0.4
93.03400	1.1
93.07034	6.4
95.04959	7.8
95.06094	1.4
95.08598	1.7
96.06867	0.6
97.07654	0.9
100.02472	0.6
102.04681	0.8
102.16392	0.4
103.05460	88.5
104.05793	3.2
105.03407	2.1
105.04488	2.0
105.07035	5.9
106.06555	0.4
106.07316	0.6
107.04948	24.4
107.06077	0.8
107.08578	9.2
108.05537	0.8
108.08180	0.5
109.06519	0.8
109.07607	0.6
115.05460	3.4
117.03374	29.6
117.05705	0.8
117.07015	5.6
117.07772	0.7
118.03706	1.4
119.04946	1.2
119.06083	1.1
119.08559	2.1
120.05659	1.2
121.02895	0.5
121.06470	2.3
121.10136	5.7
122.07140	3.0
123.07973	1.6
130.06534	2.2
130.07756	0.7
131.04919	100.0
132.05231	3.4
132.08069	1.7
133.02847	5.0
133.06493	0.7
135.04405	63.0
135.08018	5.3
135.11668	3.0
136.04749	2.5
136.07553	1.7
136.08684	2.1
137.05923	0.5
145.02840	23.4
145.03821	1.0
145.06471	1.7
145.07605	0.5
145.10106	4.3
146.03200	0.8
146.05954	0.5
146.07056	0.9
148.05168	0.9
158.06035	0.5
158.96297	0.5
163.03894	70.6
163.07530	35.3
163.09781	4.3
163.11172	10.1
163.12317	1.4
163.14778	2.2
164.04443	3.4
164.05525	0.5
164.05748	0.4
164.06866	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	0.5
55.05510	4.6
65.03927	0.8
67.05499	12.9
69.03429	0.6
69.07066	5.3
69.53338	0.4
69.56548	3.6
77.03922	0.6
79.05488	11.8
81.07053	26.3
91.05476	23.1
93.07035	14.6
93.07623	0.6
95.04962	1.2
95.08041	0.8
95.08605	8.3
98.20582	0.4
103.05465	4.5
105.03403	1.6
105.07024	100.0
106.07343	2.6
107.04919	0.5
107.08577	3.3
115.05451	3.3
117.07007	4.8
118.04149	1.4
119.08573	48.5
120.08953	1.4
121.06496	0.9
122.38155	0.4
128.06184	0.8
129.06960	0.4
130.07816	0.5
131.08568	3.5
132.09331	1.2
133.02832	2.3
133.06505	5.4
133.10120	27.5
134.10429	1.2
143.08548	0.9
145.10080	0.6
146.03622	0.6
146.07193	0.7
146.10890	1.0
159.11697	1.9
161.02344	1.6
161.05994	4.2
161.07141	0.8
161.09622	7.2
161.13248	59.4
162.05386	0.8
162.13564	2.1
163.11246	0.5
164.44301	0.4
181.50275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00282	0.5
53.03949	2.2
55.01875	0.7
55.05507	0.7
60.88406	0.4
63.02379	2.0
67.05490	0.6
68.05015	0.5
69.03452	0.4
69.07088	0.5
70.88910	0.9
77.03925	1.0
79.05489	12.0
81.03416	0.7
81.04546	0.6
81.07066	1.3
85.02896	0.7
89.03912	68.7
90.04240	2.2
91.05478	3.6
92.02612	0.5
93.07044	2.9
95.04967	4.7
95.06121	0.5
95.08598	1.0
98.20892	0.4
103.03981	0.7
103.05466	18.9
105.03386	0.7
105.04518	1.9
105.07021	1.5
106.85373	0.4
107.04948	17.6
107.08601	4.5
108.05582	0.7
115.05435	0.5
117.03373	59.0
117.06965	2.2
118.03703	1.8
119.04953	0.8
119.08584	0.7
121.06540	0.9
121.10139	2.2
122.07156	1.4
123.07953	0.9
127.03983	0.5
130.06537	1.0
131.04921	21.3
132.05232	0.7
132.08041	0.7
133.02847	3.0
135.04408	100.0
135.11711	1.4
136.04747	3.1
136.08687	1.0
145.02843	37.9
145.03851	1.3
145.06509	1.6
145.10120	1.2
146.03201	1.4
158.06021	0.7
163.03897	82.8
163.07541	6.7
163.09785	2.4
163.11205	2.9
163.14861	1.2
164.04332	2.3
164.06960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	1.8
55.05514	6.9
56.96558	0.5
59.06121	0.8
62.03537	0.4
62.62380	0.4
65.03940	1.2
67.05502	17.3
68.05839	0.5
69.03454	0.7
69.07072	7.2
69.99258	2.8
77.03922	0.6
79.05489	10.5
81.07056	33.1
83.08606	0.9
84.04469	0.5
85.02865	0.6
91.05479	24.0
92.05790	0.6
93.07042	15.1
95.04969	1.5
95.08600	7.1
98.21602	0.5
101.48464	0.5
103.05450	2.3
105.07027	100.0
106.07337	2.6
107.07890	0.7
107.08585	6.8
115.05450	1.6
117.07005	7.0
117.07751	0.7
119.08577	73.6
120.08898	1.6
121.06413	1.3
128.06226	1.0
131.08571	3.0
132.09346	2.2
133.06525	2.4
133.10129	29.3
134.03593	0.5
134.06056	0.6
134.07137	0.8
134.10448	1.2
143.08580	0.8
145.10121	0.7
146.07263	0.7
146.10872	1.5
159.11739	2.3
159.12897	0.4
161.05972	2.6
161.09633	5.9
161.13255	66.4
162.05501	1.6
162.13586	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	1.2
55.01861	1.2
55.05513	4.9
65.03924	1.0
67.05507	4.3
69.03427	1.5
69.07069	4.0
69.97231	2.1
77.03913	0.7
79.05492	12.0
80.05821	0.5
81.07056	13.6
83.08620	0.4
91.05481	21.9
92.05811	1.2
93.07044	7.8
95.04968	2.0
95.08598	1.6
103.05460	6.1
104.06316	0.4
105.07029	100.0
106.07348	3.6
107.04954	6.2
107.08602	2.6
109.06497	0.4
115.05453	11.2
117.07011	11.7
118.04202	0.9
118.07266	0.5
119.08578	47.5
120.08918	1.2
121.06512	1.9
128.06219	5.3
131.04909	2.0
131.07640	0.3
131.08571	5.5
132.05721	0.6
132.09308	1.3
133.05475	0.6
133.06493	13.8
133.10129	34.7
134.06882	0.5
134.10452	1.4
143.03558	0.3
143.04881	0.6
143.08557	6.4
145.06499	1.2
146.07269	4.3
146.10913	1.0
159.11687	1.2
161.05984	16.3
161.09622	34.5
161.13275	44.0
162.05505	1.1
162.09982	1.4
162.13577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	0.6
55.01874	0.4
55.05509	6.7
55.05778	0.4
65.69635	0.2
67.05493	0.5
69.07066	3.1
71.53336	0.2
71.53668	0.2
76.33070	0.2
77.03924	0.4
79.05483	2.8
81.07055	2.9
91.05478	9.5
93.04504	0.3
93.07048	2.3
95.04977	0.3
102.05602	0.2
103.05467	2.0
104.06242	0.6
105.07027	22.4
106.07378	0.6
107.04948	0.2
107.08585	1.4
115.05429	1.6
117.07018	3.2
118.04169	0.8
119.08574	100.0
120.08881	3.6
121.06415	0.4
121.10139	3.3
128.06229	0.5
130.07785	0.3
131.04890	0.3
131.08566	3.0
132.09315	0.3
133.06494	2.5
133.10120	19.6
134.07043	0.2
134.10495	0.8
143.08595	0.6
144.09337	0.3
145.10106	0.4
146.03647	0.3
146.07249	0.5
146.10886	0.9
159.11719	0.9
161.05951	2.6
161.07040	0.3
161.08231	0.5
161.09602	3.3
161.13252	21.7
162.05508	0.7
162.13582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.68623	0.6
53.03938	2.4
55.01858	0.9
55.05513	6.3
55.21212	0.6
67.05504	7.4
69.07063	5.8
69.95782	1.3
69.96182	3.1
79.05487	15.4
81.07052	62.9
83.08640	0.7
91.05479	26.3
92.05840	1.1
93.07039	22.3
93.57165	0.6
95.04971	2.9
95.08614	5.7
103.05486	3.1
105.07026	100.0
106.07343	3.4
107.04962	1.2
107.08612	4.6
115.05433	4.1
117.07017	6.1
118.04193	1.3
119.08577	61.4
120.08906	1.3
128.06200	1.5
131.07635	0.6
131.08527	3.1
132.09361	1.5
133.06493	5.3
133.10124	31.0
134.10477	1.2
143.08528	1.8
146.07217	1.0
146.10915	1.2
159.11674	1.7
161.05975	4.2
161.09631	5.0
161.13255	80.2
162.13556	2.8
169.94279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.70557	0.4
53.03944	1.0
55.01868	1.1
55.05510	5.8
65.03931	1.0
65.78947	0.4
67.05503	5.2
67.40387	0.4
69.03423	0.9
69.07066	7.0
70.75599	1.5
72.66752	0.5
79.05499	9.6
81.03415	0.6
81.07058	23.8
83.04982	0.4
89.95748	0.5
90.04689	0.5
90.80283	0.4
91.05481	25.9
92.05801	0.9
93.07040	12.3
94.07404	0.6
95.04976	1.7
95.08596	3.1
103.05466	4.2
104.06250	0.6
105.07030	100.0
106.07316	2.9
107.04949	2.3
107.08581	3.8
115.05457	4.8
117.07017	8.7
118.04160	0.6
118.07797	1.0
119.04938	0.9
119.08579	65.5
120.08115	0.6
120.08939	1.7
121.06489	1.2
121.10188	0.7
128.06229	8.2
131.04941	0.9
131.08566	7.3
132.05684	0.6
132.09355	1.6
133.04840	0.4
133.06491	5.0
133.10129	37.5
134.10458	1.3
143.08553	6.7
145.06493	0.8
145.10176	0.4
146.07251	3.5
146.10890	1.4
150.56497	0.4
153.14706	0.4
159.11739	2.2
161.05988	5.4
161.09630	22.7
161.13260	60.1
162.05455	2.1
162.13640	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	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03940	0.7
55.01858	0.7
55.05275	0.4
55.05515	6.2
55.42302	0.4
56.87139	0.4
63.68817	0.4
67.05489	1.1
69.03410	0.3
69.07064	2.1
70.30984	1.1
73.22121	0.3
79.05490	3.2
81.07061	3.6
91.05479	10.4
91.06018	0.7
93.04485	0.4
93.07008	2.6
95.04966	0.6
103.05475	2.1
104.06229	0.5
105.07030	27.3
107.08600	1.3
115.05421	1.9
117.07020	3.2
118.04147	1.0
118.53638	0.3
119.08577	100.0
120.05674	0.4
120.08904	3.0
121.06420	0.6
121.10127	2.7
128.06221	0.8
131.08546	2.4
132.09319	0.4
133.06494	3.1
133.10124	19.4
143.08546	1.0
145.10234	0.4
146.07240	0.6
146.10884	1.1
159.11684	1.5
161.06007	3.3
161.08267	0.7
161.09605	4.3
161.13258	24.2
162.05490	1.2
162.13582	1.2
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	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03939	0.3
55.05511	0.9
65.03935	0.2
67.05489	0.6
69.07059	1.0
70.18462	1.2
79.05487	1.9
79.35683	0.2
81.07055	2.2
83.60788	0.2
91.05479	6.1
93.07029	1.1
103.05463	1.2
104.06266	0.4
105.07026	30.2
106.07362	0.9
107.08599	0.4
115.05437	0.4
117.07020	2.3
119.08575	100.0
120.08904	3.1
125.71448	0.2
131.08571	0.8
133.10123	7.4
134.10524	0.5
159.11679	0.5
161.09599	0.4
161.13245	13.2
162.13567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03949	1.1
55.05509	4.3
55.48685	0.4
56.50492	0.4
64.58649	0.4
64.97676	0.4
67.05499	14.0
69.07058	5.2
74.26420	0.3
75.95682	0.4
76.74361	0.3
77.03921	0.4
79.05486	10.2
81.07053	25.6
82.07398	0.5
83.08623	0.8
91.05476	23.9
92.05805	0.8
93.07041	14.4
95.04958	1.7
95.08604	10.3
103.05459	3.4
105.07025	100.0
106.07355	2.2
107.08584	4.1
115.05453	1.5
117.07001	4.9
118.04169	1.0
119.08574	44.6
120.08935	1.6
121.06476	0.6
128.06213	0.7
131.04953	0.4
131.08565	2.1
132.09349	1.6
133.02864	0.6
133.06470	2.8
133.10124	29.5
134.10493	0.7
145.10133	0.5
146.03625	0.5
146.07312	0.5
146.10895	0.8
159.11703	1.6
161.05930	2.3
161.09634	5.1
161.13251	53.6
162.05409	0.4
162.13618	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05511	7.3
60.62999	0.5
61.09461	0.5
65.03938	1.3
67.05502	19.1
68.05842	0.6
69.07063	8.4
71.44329	1.1
77.03907	0.8
79.05493	9.7
81.07056	41.3
82.07381	1.0
83.08621	0.8
86.05267	0.5
91.05477	29.5
92.05819	1.0
93.07040	16.0
94.07367	0.8
95.04960	1.2
95.08039	0.9
95.08603	8.1
103.05470	2.2
105.07027	100.0
106.07349	3.3
107.08590	7.4
115.05449	1.1
117.07013	6.8
119.08578	90.5
120.08932	2.3
128.06215	0.6
131.08569	5.0
132.09325	1.8
133.10129	33.3
134.10469	1.5
144.09296	0.7
146.10876	1.6
159.11703	2.5
161.09662	5.1
161.13257	71.0
162.13628	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
64.89350	0.7
67.05486	1.3
68.47768	0.6
69.03403	1.5
69.07074	0.6
71.65126	0.8
74.51305	0.7
79.05487	1.7
81.07056	1.7
91.05475	6.7
93.07048	3.1
103.05460	1.3
105.07028	44.6
106.07346	1.3
107.04975	2.6
115.05444	2.1
117.06998	2.2
118.04147	0.9
119.04872	0.9
119.08566	8.3
120.05585	0.7
121.06496	14.6
128.06233	4.2
131.04916	2.7
131.08577	2.2
132.05670	1.0
133.06459	3.4
133.10124	24.0
134.07141	1.2
143.08566	3.8
145.06473	2.4
146.07263	25.8
146.08414	1.4
147.07681	1.2
151.22050	0.6
159.08057	1.2
161.05974	1.8
161.09610	100.0
161.13219	6.2
162.05475	2.7
162.10037	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	1.5
55.01876	0.9
55.05511	5.2
65.03947	1.2
67.05504	26.9
69.07064	6.7
69.51651	4.8
74.51172	0.5
77.03927	0.7
79.05494	11.0
81.07056	44.4
82.07390	1.2
83.08620	0.7
91.05481	34.3
93.07046	18.2
93.07640	0.9
95.04980	1.5
95.08611	15.0
96.08882	0.6
99.69032	0.5
103.05477	2.3
103.08359	0.5
105.07030	100.0
106.07356	2.7
107.04942	1.7
107.08602	6.1
107.09315	0.8
115.05474	3.0
117.07023	5.7
118.04125	0.7
119.08581	63.0
120.08875	0.6
121.06440	0.6
124.28498	0.5
128.06209	2.1
131.08600	3.9
132.09340	1.6
133.06525	3.5
133.10133	36.6
134.10477	1.1
143.07272	0.5
143.08536	2.5
145.06479	0.6
145.10144	0.6
146.03651	0.6
146.07291	1.4
146.10913	1.1
159.11720	1.7
161.05995	5.2
161.09647	12.6
161.13257	67.7
162.13596	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03926	0.7
55.05502	0.6
56.05028	0.8
59.06103	0.5
60.72454	0.6
65.03925	1.0
67.05499	6.0
67.93339	0.4
69.33788	5.7
70.06592	0.6
71.04975	1.2
76.93345	0.8
79.05490	3.5
81.03447	0.5
81.07050	4.8
81.47639	0.5
85.02879	0.7
91.05480	16.7
92.05801	0.5
93.07037	1.4
95.04971	0.5
95.08604	0.7
98.97575	1.3
99.05571	0.6
103.05462	1.7
105.07030	34.5
106.07337	1.0
109.96831	0.4
115.05452	6.5
116.06245	3.2
116.98634	0.8
117.07014	44.2
117.95953	1.0
118.06480	0.6
118.07305	0.9
118.96756	1.1
119.08578	11.3
128.06206	1.5
129.07007	22.1
130.07806	10.9
131.08565	52.0
132.08035	0.5
132.08902	1.9
134.99670	0.4
141.01799	1.6
141.06931	0.9
142.07764	3.1
143.08527	2.1
144.05643	1.4
144.09344	32.6
145.09702	1.7
146.00726	0.6
157.10147	5.5
159.08096	7.3
159.11688	100.0
160.12044	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	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39797	0.2
56.05035	0.3
56.96564	1.2
59.06123	1.2
59.93106	0.9
60.00670	0.3
60.04522	0.4
67.32916	0.3
70.84999	0.8
73.46329	0.3
75.05582	0.3
77.00882	0.3
77.94193	0.3
82.99856	0.8
84.04492	0.3
84.36031	0.3
87.36610	0.3
91.05476	0.4
98.97582	1.3
99.97916	0.8
100.02489	2.0
100.97174	0.8
100.97993	0.5
101.00875	14.7
101.07166	0.4
101.95015	1.8
102.00974	0.3
105.07021	1.3
109.60849	0.3
114.05559	0.3
116.98649	1.3
117.98973	0.8
118.01717	0.3
118.03514	6.9
118.04298	0.5
118.06537	0.4
118.07332	0.3
118.96772	3.2
118.98196	0.7
119.01917	100.0
119.08575	0.6
119.96069	0.8
120.02050	2.3
120.03262	0.8
121.01629	1.6
124.02428	2.7
132.08047	0.4
132.08902	0.5
133.03477	0.4
133.06425	0.3
133.10062	0.4
134.07176	0.3
134.99672	0.9
136.00009	0.3
136.02733	2.3
136.04546	6.1
136.05466	0.2
137.02956	44.5
137.97084	0.9
138.03160	0.6
138.04247	0.3
139.02716	0.9
142.03496	42.1
143.03743	1.8
152.94740	0.3
154.03748	0.5
154.34883	0.3
154.59084	0.4
154.96489	1.2
155.98155	0.3
160.04553	43.3
160.12029	0.8
161.03102	1.8
161.04501	2.2
161.06052	0.6
161.09535	0.5
161.13307	0.3
165.05078	1.8
178.05598	14.9
179.03984	3.2
179.05513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.3
58.55603	0.1
58.99857	0.2
60.00636	0.2
61.43449	0.1
71.12656	0.1
71.13008	0.3
82.99836	0.7
83.99869	0.1
91.87574	0.1
98.97587	0.5
100.02454	0.2
100.97187	0.2
101.00875	16.8
101.95039	0.7
101.97201	0.1
102.00937	1.8
102.96865	0.7
103.00643	0.3
105.07023	0.3
116.98626	0.4
118.03506	0.6
119.01917	100.0
119.96051	0.3
120.02012	8.4
120.97887	0.9
121.01658	1.5
121.02383	0.4
124.02439	0.3
125.02608	0.3
133.03505	0.2
133.10139	0.2
136.04556	0.4
137.02954	41.6
137.97095	0.2
138.03059	3.7
138.04222	0.3
138.98901	0.3
139.02623	0.7
142.03487	4.2
143.01968	0.2
143.03661	3.4
144.03210	1.2
149.10471	0.2
152.79897	0.1
160.04584	1.1
161.02940	2.8
161.04625	3.4
161.09576	0.4
162.03104	0.3
162.04251	1.2
179.04007	5.6
179.05652	1.4
180.04001	0.3
180.05373	0.5
184.04520	0.3
184.06136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03911	0.9
59.93101	0.3
63.38078	0.3
65.03902	0.9
67.05505	2.5
70.85187	0.9
76.93324	1.1
79.05448	1.1
81.03389	0.3
81.07023	1.2
82.14703	0.3
86.58772	0.3
91.05479	28.5
92.05793	1.1
93.07027	0.6
103.05476	1.9
105.07028	20.9
105.78629	0.3
106.07346	0.8
115.05453	7.0
116.06245	8.4
117.07022	21.6
117.95969	1.3
118.07317	0.7
119.08581	12.7
120.08951	0.3
121.68772	0.3
128.06218	2.8
129.07005	22.7
130.07823	7.0
131.08566	49.4
132.08908	2.2
134.92082	0.3
135.96994	0.7
141.01869	0.7
141.06984	2.0
142.07837	2.0
143.08612	2.4
144.05736	2.2
144.09340	35.5
145.06454	0.7
145.09676	2.0
157.10143	4.4
159.08086	13.4
159.11687	100.0
160.08478	0.8
160.12035	4.6
169.07637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03939	0.7
65.03934	0.4
67.05499	4.2
69.55136	0.3
70.06290	2.1
76.93350	0.6
79.05497	2.1
79.67348	0.4
81.07044	1.7
87.00826	0.9
91.05479	14.2
93.07031	1.0
95.04964	0.4
98.97540	0.6
103.05470	2.1
105.07030	30.6
106.07338	1.3
113.02348	0.8
114.89429	0.4
115.05452	4.2
116.06244	2.3
117.01853	1.3
117.07018	30.2
117.95949	0.8
118.07322	0.9
119.04951	0.6
119.08579	9.9
124.28316	0.4
128.06216	1.2
129.07005	17.4
130.07809	8.6
131.04903	1.1
131.08568	43.9
132.08943	2.0
132.09761	0.3
141.01828	1.1
141.06989	1.0
142.06779	0.4
142.07776	2.6
143.08624	2.1
144.05687	0.8
144.09341	29.2
145.09663	1.0
146.35425	0.4
155.94539	0.4
157.10149	5.7
158.10495	0.5
159.08139	3.4
159.11690	100.0
160.05215	1.1
160.07516	0.6
160.12038	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05516	0.4
57.03436	0.9
61.02939	0.3
64.99255	0.3
65.03938	0.7
67.05502	3.4
69.93651	0.8
69.94067	0.8
76.93380	1.3
79.05487	1.6
81.07059	0.9
91.05479	10.6
93.07053	0.5
94.90014	0.3
94.94434	0.5
95.04960	0.5
103.05451	1.4
105.07025	22.1
106.07412	0.8
113.02385	0.5
115.05449	3.9
116.06245	2.4
116.98669	0.3
117.07014	20.4
117.95982	1.2
118.06554	0.3
118.07333	0.4
119.08578	10.5
120.08927	0.4
127.45776	0.3
128.06195	1.8
129.06999	20.3
129.94691	0.3
130.07822	7.6
131.04919	0.6
131.08563	38.7
132.08934	1.5
135.96976	0.5
141.01819	1.0
141.06955	0.8
142.07773	4.0
143.08543	1.9
144.05714	1.0
144.09334	28.3
145.09694	1.2
149.89113	0.3
151.14470	0.3
157.10124	6.2
158.10448	0.4
159.08121	3.3
159.11682	100.0
160.05139	0.4
160.12025	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03928	0.8
53.86967	0.4
55.79340	0.3
61.18654	0.4
63.77286	0.4
65.03949	0.5
67.05505	4.1
70.80503	0.9
79.05470	1.7
81.07038	0.6
87.89314	0.4
88.38424	0.4
91.05477	20.6
92.05816	0.7
93.07033	0.5
95.04977	1.0
100.65472	0.4
103.05462	2.5
105.07026	26.3
106.07357	0.7
115.05446	7.9
116.06255	6.4
117.07012	20.1
118.07335	0.5
118.64750	0.4
119.08575	9.2
128.06242	2.1
129.06009	0.6
129.06995	16.6
130.07805	8.3
131.04924	4.6
131.08563	60.7
132.08919	2.7
141.07022	2.1
142.07797	2.3
143.08556	1.8
144.05701	3.0
144.09341	23.8
145.06480	0.6
145.09702	1.3
157.10147	4.7
159.04419	1.4
159.08069	18.3
159.11687	100.0
160.08490	0.9
160.12024	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.64972	0.4
67.05505	2.3
71.01376	0.8
79.05482	0.6
82.51593	0.4
91.05474	9.9
103.05460	0.9
105.07026	19.3
115.05442	3.1
116.06238	2.5
117.07009	22.7
118.07323	1.0
119.08566	10.6
120.08884	0.5
128.06223	2.3
129.06993	17.2
130.07819	6.7
131.08563	39.4
132.08911	2.6
141.06987	0.8
142.07761	2.2
143.08580	2.0
144.05696	0.6
144.09337	31.7
145.09682	1.4
157.10141	5.0
158.10397	0.5
158.84932	0.4
159.08090	6.7
159.11679	100.0
160.12013	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	159.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
65.03931	0.6
67.05502	2.5
69.17710	0.5
70.93116	0.9
70.93472	0.4
78.40312	0.4
79.05489	0.8
89.59203	0.5
91.05481	5.9
92.29949	0.4
97.74071	0.4
103.05419	0.6
105.07027	23.4
115.05442	2.6
116.06221	1.0
117.07011	16.6
117.07844	0.9
119.08570	7.8
128.06207	1.4
129.07004	11.3
130.07797	8.5
131.08563	37.4
132.08888	0.9
142.07735	2.3
143.08549	1.3
144.09338	25.6
145.09872	0.6
157.10124	6.0
159.11682	100.0
160.12019	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	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03919	0.4
56.96543	0.4
65.03911	0.7
67.05499	4.8
70.06210	1.8
71.96949	0.4
75.12479	0.4
76.93350	0.8
79.05472	2.5
81.07032	1.1
81.34438	0.3
91.05476	10.6
92.05788	0.4
93.07019	0.7
98.21503	0.4
98.97575	1.4
103.05449	0.8
105.07024	28.1
105.72495	0.4
106.07368	0.8
115.05444	5.1
116.06236	2.4
116.98637	0.5
117.07011	32.2
117.95955	0.7
118.07316	0.8
119.08570	9.3
120.08918	0.4
128.06189	1.8
129.06006	0.6
129.06993	17.9
130.07796	7.8
131.08560	40.4
132.08881	1.3
141.01810	1.2
141.07002	0.6
142.07774	2.7
143.08601	2.1
144.05688	0.6
144.09332	26.7
145.09637	1.0
157.10141	4.8
158.10448	0.7
159.08162	2.1
159.11681	100.0
160.11984	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	159.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03922	0.4
55.05490	0.3
65.03911	0.8
67.05180	0.3
67.05502	3.8
70.67593	0.2
71.64514	0.3
76.93365	1.9
79.05490	2.0
81.07050	2.7
86.48313	0.2
91.05473	17.8
92.05780	0.4
93.07001	0.7
94.94370	0.5
95.04945	0.4
97.33930	0.3
98.97559	0.3
103.05498	1.3
105.07022	26.0
106.07331	0.8
110.82243	0.3
113.02334	0.6
115.05437	5.7
116.06248	5.1
116.98615	0.3
117.07009	24.1
117.95985	1.6
118.07327	0.6
118.96764	0.3
119.08572	11.1
120.08910	0.4
128.06204	2.3
129.06993	20.6
130.07796	8.4
131.04900	0.9
131.08559	49.1
132.08879	2.2
135.97005	0.8
141.01813	1.4
141.06970	1.7
142.07777	2.2
143.08543	2.2
144.05693	2.9
144.09337	29.6
145.06502	0.3
145.09642	1.2
157.10114	4.8
159.04471	0.5
159.08075	13.6
159.11681	100.0
160.05154	0.6
160.08488	0.7
160.12035	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03948	0.7
59.01909	0.4
65.03939	0.9
67.05503	3.4
70.97289	1.3
73.87437	0.4
79.05483	2.3
81.07059	1.4
91.05477	22.7
91.63115	0.4
93.07070	1.2
95.04965	1.2
103.05450	2.2
105.07030	26.0
106.07359	0.8
115.05447	8.0
116.06248	6.3
117.07018	22.1
119.08573	9.3
128.06212	2.5
129.07001	20.2
130.07800	9.2
131.04927	2.3
131.08565	68.0
132.08910	2.8
141.07010	1.4
142.07759	2.5
143.08556	2.0
144.05711	1.5
144.09341	25.8
145.09727	1.0
157.10146	5.4
159.04436	1.0
159.08072	14.7
159.11688	100.0
160.08408	0.5
160.12019	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	159.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
56.69421	0.7
56.96560	0.9
59.96254	0.6
65.03931	1.1
66.92110	0.7
67.05491	3.9
68.89168	0.7
70.68158	1.7
76.93369	3.6
79.05485	2.2
81.03407	0.9
81.07053	2.0
84.80190	0.7
84.96013	1.1
91.05478	47.6
92.05788	0.9
93.07095	0.7
94.94392	1.6
101.88895	0.7
103.05448	3.1
105.07027	25.5
113.02357	1.2
115.05443	18.3
116.06236	48.9
117.07025	27.0
117.95962	2.4
118.06605	0.8
119.08571	9.3
128.06195	5.1
129.07005	30.5
130.07808	10.2
131.00156	1.6
131.04936	1.6
131.08563	87.5
132.08899	3.1
133.06541	1.1
135.96985	1.7
141.01787	3.9
141.06998	13.9
142.07759	2.5
143.08603	1.8
144.05701	49.9
144.09348	29.8
145.06262	1.4
145.09680	1.3
149.01202	1.2
155.06003	1.1
157.10110	5.8
159.08055	80.2
159.11684	100.0
160.08379	3.2
160.12086	4.3
169.07632	7.3
178.21175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0804
Annotation	1-Methoxynaphthalene
Peak:m/z	Relative Intensity
51.47333	0.5
57.18367	0.5
57.41747	0.5
58.00009	0.4
65.03931	0.9
67.05497	3.1
69.88371	1.8
69.88789	1.4
76.93365	2.5
79.05484	2.2
81.07068	1.1
91.05478	39.5
92.05829	0.9
93.07111	0.5
94.94424	0.6
103.05447	3.0
105.07023	24.5
115.05444	14.3
116.06234	36.9
117.07021	26.4
117.95966	2.5
119.08574	11.4
128.06209	4.6
129.07002	27.6
130.07809	9.5
131.04941	2.0
131.08562	86.0
132.08897	2.2
135.96999	0.8
141.01823	2.3
141.06987	10.8
142.07770	2.2
143.06032	0.7
143.08566	2.0
144.05698	35.7
144.09335	30.8
145.06117	0.8
155.06001	0.7
157.10123	4.1
159.04422	1.3
159.08055	59.6
159.11682	100.0
160.08414	2.4
160.12021	4.0
169.07602	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.14876	0.4
52.28959	0.4
53.03929	0.6
54.26190	0.5
55.84481	0.5
65.03921	0.6
67.05508	3.4
70.01699	2.4
76.93389	0.5
79.05487	1.4
81.07052	0.5
91.05473	7.5
91.29948	0.4
98.74241	0.4
103.05448	0.6
105.07024	25.5
106.07349	0.6
115.05431	3.6
116.06268	2.0
117.07010	20.7
118.07314	0.7
119.07774	0.8
119.08578	11.2
128.06204	1.9
129.07001	16.4
130.07796	8.5
131.04851	0.7
131.08562	41.5
132.08900	1.4
142.07758	2.9
143.08495	2.5
144.09332	28.8
145.09706	1.5
157.10120	5.6
159.08157	2.8
159.11681	100.0
160.12018	5.1
176.95082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01876	1.4
55.05518	1.2
56.05055	0.5
56.96568	34.3
57.03439	5.5
58.03762	0.4
58.06627	0.5
59.05002	1.1
60.05648	0.3
60.38626	0.4
60.95858	0.6
61.02934	1.2
65.03934	0.6
66.52045	0.3
67.05508	1.0
68.02653	0.6
68.05031	0.9
69.03430	2.5
69.35734	1.3
69.36160	2.7
70.06593	36.8
70.98109	0.9
71.01365	1.3
71.04993	5.6
71.06937	1.1
71.95268	4.4
72.04520	0.4
72.08148	0.5
73.02910	2.9
74.03681	0.5
74.97576	0.6
75.01079	0.4
75.04486	1.4
77.00841	0.4
79.52842	0.4
80.02027	0.3
80.04993	0.5
81.03419	7.0
82.01825	0.7
82.03770	0.8
83.00786	0.8
83.01475	0.4
83.04982	0.6
84.01146	0.5
84.01591	0.9
84.08151	1.2
84.96035	1.5
85.02906	4.6
85.06548	0.4
85.07661	1.1
85.53188	0.4
86.03712	0.9
86.06064	0.8
87.04465	3.4
88.99126	0.5
89.00826	0.5
89.06048	0.6
90.01546	2.3
92.01309	0.5
92.03889	0.4
94.06562	1.5
95.00797	0.4
95.03455	0.4
95.04987	0.6
95.06097	1.8
95.53514	0.8
95.54099	0.4
96.01558	1.9
96.03322	0.6
96.08121	0.5
96.51701	0.4
97.02324	0.5
97.02887	1.7
97.96818	1.3
97.99191	1.0
98.01320	0.4
98.06065	6.4
98.09713	0.4
98.20697	0.7
98.97585	100.0
99.02032	0.9
99.04462	3.7
99.06860	0.9
99.97902	0.9
100.02478	2.1
100.03522	0.9
100.05283	2.7
100.07594	0.4
101.00833	2.0
101.02598	1.6
101.99853	0.7
102.00947	0.5
102.01625	0.4
102.02225	2.3
102.03191	0.4
102.09192	0.6
103.00612	1.8
103.02418	0.5
105.02106	1.8
105.02740	0.5
105.52576	0.9
106.03568	0.5
107.01803	0.6
108.04478	1.7
109.02871	3.1
109.53312	0.6
110.01294	3.4
110.03111	1.3
110.07178	0.5
110.97577	2.0
111.02035	0.5
111.05553	1.0
112.03622	0.4
112.07559	1.5
112.08731	26.5
112.99133	0.4
113.00898	0.4
113.07120	1.3
113.09085	1.0
114.05546	1.7
114.06749	0.8
114.09178	1.0
114.53077	0.7
115.02424	0.7
115.07188	0.4
115.08696	0.9
115.97813	1.1
116.07095	6.2
116.98623	75.8
117.02077	1.4
117.03799	0.5
117.98952	0.6
118.01096	1.1
118.03505	1.9
119.01875	9.3
119.03634	1.5
119.51953	0.5
120.00879	1.3
120.02010	1.0
120.03267	0.8
120.54133	0.4
121.01663	6.3
121.02435	0.7
121.04105	0.7
121.52059	0.5
121.53844	0.7
123.05594	0.9
126.02546	1.2
127.03922	0.5
128.02319	4.1
128.98628	2.1
130.04541	0.4
130.52571	1.0
130.54297	0.4
131.00165	1.3
131.01907	2.1
132.02017	1.5
133.01653	1.5
133.03464	0.7
134.03635	0.9
134.04755	0.5
134.99660	40.8
135.03122	3.6
137.02931	1.0
139.02696	1.9
139.05101	0.6
139.53043	0.8
140.00192	3.3
140.07040	1.6
140.98605	0.5
141.02713	1.4
141.06561	2.0
142.02771	2.3
142.12233	1.0
143.00130	0.7
143.02460	2.3
143.03514	0.6
144.03238	2.6
145.03482	0.9
146.99609	1.2
147.03214	0.5
147.05043	0.5
149.01219	1.0
149.02968	0.5
149.04846	0.4
149.06619	0.4
153.00725	5.9
155.03687	0.6
156.03290	0.8
157.03494	0.7
158.01297	3.4
158.08113	2.7
158.09251	31.1
158.15398	1.5
158.99646	0.8
159.05063	0.4
159.07643	0.8
159.09673	0.6
159.11658	0.5
161.02896	0.7
162.04243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.3
56.96566	15.3
57.93571	0.4
71.14378	0.7
71.95262	2.5
98.97583	100.0
99.97945	0.9
100.02475	0.7
101.00864	1.1
110.72699	0.3
116.01970	1.0
116.98618	77.3
117.98952	0.7
118.03497	2.2
119.01923	3.9
134.02997	4.6
134.04814	0.3
134.99655	38.7
135.03128	1.0
136.00064	0.3
136.04535	0.5
137.02956	1.2
140.00168	3.1
152.04044	0.7
152.97043	0.3
153.00705	4.7
158.01263	2.4
158.03011	0.4
158.09648	0.5
158.15480	0.4
176.02301	0.4
176.04047	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03925	0.4
55.01622	0.4
55.01871	5.3
56.05033	0.6
56.96566	5.5
57.03428	1.2
57.93542	0.7
59.04988	0.3
59.06121	0.4
60.04500	0.7
67.05490	0.9
68.05013	1.0
69.03426	0.6
69.07056	0.6
69.86933	2.0
70.06590	7.1
71.04987	0.4
71.95271	0.5
72.04492	0.4
72.08137	0.3
75.89338	0.3
79.05486	0.7
80.04993	0.5
81.03410	1.5
81.05791	1.3
83.04968	0.3
83.06111	0.4
84.04048	0.4
84.04509	6.6
84.08130	0.5
85.02891	0.4
86.06081	0.4
87.04446	1.1
87.05574	0.7
94.06567	21.9
95.07368	5.8
96.04491	26.0
96.07558	0.6
96.08131	8.2
97.04851	0.3
98.06055	18.4
98.21478	0.6
98.97582	22.0
99.05559	0.5
102.05541	0.7
110.06041	0.3
111.78945	0.4
112.07609	3.4
112.08732	0.3
112.11273	0.7
112.55704	0.4
113.02378	0.4
114.05531	23.6
114.24438	0.3
115.05846	0.6
116.07125	0.7
116.97337	2.3
116.98617	16.4
121.34956	0.3
122.06033	6.4
131.08627	0.4
134.99657	8.4
138.05498	2.1
140.00224	0.7
140.07063	100.0
141.01791	0.5
141.07391	2.5
149.01212	0.5
152.96944	0.6
153.00691	1.4
158.01280	0.5
158.08136	28.0
158.15385	0.6
159.11726	0.7
166.03899	0.3
169.23044	0.3
172.36734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1012
Annotation	1,8-Dimethylnaphthalene
Peak:m/z	Relative Intensity
55.05512	0.7
56.05782	0.3
56.96563	0.5
57.93576	0.6
65.03934	0.4
69.03441	0.3
69.07069	0.6
69.57137	2.6
70.06609	0.8
74.93826	7.1
74.94230	0.5
79.05510	0.9
83.05002	0.4
91.05490	1.2
92.94842	1.6
95.04959	0.4
97.02880	0.5
97.06517	0.7
98.21490	0.5
98.97594	0.6
103.05511	0.5
105.07053	0.5
111.08080	0.3
115.05446	3.8
115.96439	5.9
116.97244	0.7
116.98614	0.4
117.07024	0.6
128.06219	5.2
129.07008	17.8
130.07355	0.7
133.97481	3.1
134.99661	0.6
139.23296	0.3
141.06987	13.0
142.07777	100.0
143.08101	4.2
145.06505	0.4
155.06042	0.4
155.08575	1.5
156.09294	0.6
156.99115	0.4
157.01152	0.4
157.05032	0.7
157.06511	1.5
157.10126	60.9
158.06059	0.4
158.09554	1.4
158.10500	2.1
158.15393	0.5
159.08037	1.3
163.03932	0.4
169.07590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0648
Annotation	2-Naphthaldehyde
Peak:m/z	Relative Intensity
50.15401	0.5
51.02396	0.5
67.24300	0.4
69.96722	2.6
73.72683	0.4
76.00362	0.4
91.05499	1.5
103.05450	3.1
115.05437	4.1
117.07022	1.0
127.05428	2.5
128.06223	52.0
129.07008	100.0
130.07326	4.6
141.06996	11.5
142.07777	88.7
143.08104	4.3
145.06474	7.6
147.08012	0.5
152.12383	0.4
155.06033	7.9
155.08557	1.2
156.34337	0.5
157.06493	60.9
157.10124	58.1
158.06813	3.1
158.10539	2.4
159.08073	1.1
169.07639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01873	5.8
55.05521	1.6
56.05019	0.7
56.96566	48.9
57.03438	17.0
58.04194	0.7
58.99862	2.2
59.05001	5.4
60.43616	0.6
61.02919	1.6
65.03945	0.8
66.52972	1.0
67.05479	0.6
68.02640	3.1
68.05020	0.8
68.98287	1.0
69.03429	5.8
69.07098	0.7
69.55186	4.6
70.06591	52.7
70.98115	1.4
71.01360	3.5
71.04994	18.1
71.95263	4.2
72.05306	0.7
72.52969	1.0
73.02914	6.3
74.03692	2.3
74.97609	1.4
75.04485	2.4
77.00893	2.3
78.52959	5.9
79.02995	1.0
79.51924	1.2
81.03421	23.5
81.99034	1.1
82.01446	8.1
82.03749	1.1
83.00766	2.2
83.04969	2.4
83.06094	1.6
83.65744	0.7
84.06444	0.8
84.96033	2.5
85.01402	0.8
85.02905	18.0
85.07663	0.9
85.53743	5.2
86.02898	1.5
86.03743	2.1
86.06086	0.8
86.52711	1.0
87.04470	14.8
87.50806	1.0
87.53475	2.2
88.02695	1.2
88.05251	0.8
88.99194	1.2
89.00848	1.6
89.06036	2.3
90.01556	2.4
90.02453	0.9
90.52943	6.0
91.02457	1.2
91.02992	0.7
91.53737	4.4
92.01302	2.1
92.52684	1.6
93.01894	1.3
93.53480	1.3
94.04857	1.3
94.06579	2.0
94.54266	1.9
94.99887	1.1
95.00752	0.7
95.01961	0.7
95.03458	8.2
95.04400	0.8
95.04970	2.5
95.53537	2.1
96.01551	2.9
96.02454	1.3
96.06418	0.9
96.52873	2.3
97.02335	1.0
97.02899	2.0
97.07640	1.2
97.53724	2.2
97.96810	4.3
97.99181	1.4
98.06052	11.7
98.09702	1.0
98.52705	4.8
98.97584	100.0
99.02029	2.1
99.04449	12.0
99.06836	1.2
99.53471	15.5
100.00099	5.8
100.02482	32.8
100.03582	2.6
100.04604	1.3
100.05238	18.3
100.54266	3.3
101.00227	1.2
101.00867	6.6
101.02561	5.1
101.04328	1.2
101.05513	1.0
101.06086	0.9
101.51964	1.6
102.00969	2.4
102.01623	1.2
102.02222	3.4
103.00616	1.8
103.02430	2.1
104.01299	0.8
104.02511	0.8
104.03968	2.2
104.52698	6.1
105.00330	1.1
105.02044	2.9
105.02755	2.2
105.53471	1.8
106.02852	0.9
106.54254	5.6
107.04371	1.8
107.53196	2.7
107.54156	0.7
108.02525	0.7
108.03239	1.0
108.04475	2.2
108.52779	1.2
108.54002	2.1
109.02988	13.3
109.53292	2.9
110.01270	4.2
110.03210	0.9
110.07150	4.5
110.97580	4.7
111.02055	1.4
111.04385	2.6
111.05537	1.1
111.06835	2.5
111.07504	14.7
111.53486	3.8
111.54195	0.7
112.08727	25.8
112.51620	0.7
112.99158	1.6
113.00878	4.2
113.01621	0.9
113.06011	1.4
113.07116	0.9
113.53204	8.6
114.02547	1.0
114.03328	1.3
114.04037	3.4
114.05577	1.3
114.06785	9.3
114.09176	2.1
115.00634	1.6
115.02397	4.6
115.05867	1.8
115.08684	4.4
115.52105	1.5
115.96443	1.0
115.97860	2.6
116.00237	1.2
116.04002	4.0
116.07100	4.0
116.98619	78.5
117.02050	1.1
117.03938	0.8
117.53442	0.7
118.01139	17.5
118.01987	0.8
118.03529	18.1
119.01904	22.9
119.03603	1.7
120.00872	1.5
120.02029	11.7
120.03305	2.0
120.53971	11.7
121.01665	7.2
121.04063	1.8
121.52148	0.8
121.53864	1.0
122.53690	1.9
123.01675	4.8
123.04041	1.5
124.01699	0.8
124.02478	1.6
125.04494	2.9
125.54317	0.7
126.02557	2.3
127.04073	2.0
127.54805	1.7
128.02338	5.2
128.98589	5.7
129.04018	0.9
129.54474	8.1
130.04610	1.6
130.52608	1.3
131.00182	2.8
131.01907	19.6
132.01955	2.2
132.02762	1.4
132.05084	4.3
133.01642	8.4
133.03473	10.2
133.98868	1.3
134.02296	0.9
134.03564	2.9
134.04823	1.5
134.99658	43.7
135.03113	5.9
136.02275	3.6
136.55269	1.1
137.02968	3.5
138.03065	4.1
138.04015	1.2
138.54999	5.9
139.02632	2.9
139.03789	0.7
139.53127	1.3
140.00179	3.3
140.07091	1.5
141.02715	35.5
141.05278	2.0
141.06497	1.0
142.01109	2.9
142.03662	7.4
142.07788	1.5
143.02570	1.3
143.03624	6.4
143.53285	0.8
144.03305	2.6
145.03482	4.4
145.55807	2.7
146.99646	7.6
147.01463	0.8
147.03191	0.8
147.05061	2.2
149.01221	2.4
149.02995	2.9
151.02682	1.2
151.04539	1.6
152.04590	1.0
153.00720	7.1
154.03487	14.2
154.56372	1.0
155.03716	2.4
156.02663	1.0
156.05070	7.2
157.03458	7.2
157.08022	1.6
157.10847	2.6
158.01277	3.9
158.03740	1.0
158.08095	3.4
158.09248	25.0
159.03807	1.8
159.05029	1.8
160.02242	4.0
161.01262	2.6
161.03000	1.0
161.04739	2.6
162.04274	0.9
162.99153	0.8
163.04460	1.0
164.04337	2.4
165.00711	1.7
167.02016	2.1
167.04251	0.9
168.05077	2.1
171.05049	1.3
172.04610	1.5
174.03795	1.2
174.99225	2.2
175.02928	1.6
175.04552	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	154.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80091	0.5
53.03947	1.5
55.01866	0.8
55.05511	1.8
65.03939	38.5
66.04282	1.2
67.05503	1.6
68.99789	0.7
69.03438	0.7
71.01354	1.2
71.58567	0.8
71.94108	2.1
71.95264	1.6
72.93783	4.5
79.05479	0.6
81.03413	4.6
83.04990	2.0
90.94827	1.3
93.03403	30.3
94.03737	0.7
95.04966	8.2
96.02103	5.2
98.98478	0.8
105.04530	0.7
107.01324	2.0
109.02875	7.6
111.04444	35.3
112.04755	1.1
113.96380	2.6
121.03977	1.2
123.04439	3.5
124.05221	6.0
125.06005	1.2
126.05517	0.7
126.06319	0.7
127.03868	2.5
129.07030	0.7
130.22633	0.6
131.97437	2.1
136.07584	0.8
136.66095	0.5
139.03900	100.0
140.04259	3.0
149.97086	0.8
153.06947	2.7
154.06247	66.7
155.03342	0.5
155.06624	2.6
155.08524	6.0
164.44556	0.5
170.71671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01869	1.0
55.05511	6.2
56.05034	1.3
56.05844	0.3
56.96552	0.4
57.03435	0.7
57.07080	3.2
58.06586	0.7
59.05001	0.3
65.03949	1.2
66.04250	0.4
67.05505	3.2
68.02653	0.3
68.05042	1.1
68.96325	0.3
68.99792	0.4
69.03432	1.2
69.04553	0.3
69.07053	1.1
70.06605	1.8
70.94262	0.3
71.01357	0.2
71.04995	1.1
71.06107	0.3
71.63183	0.5
71.94096	1.0
72.04523	0.3
72.08147	0.5
72.93790	10.0
79.05487	2.4
80.05005	0.7
80.05838	0.3
81.03414	0.8
81.04509	0.3
81.07058	8.5
82.06593	1.6
82.07384	0.7
83.04977	1.9
83.06100	0.7
83.07369	0.6
83.08610	1.7
84.04479	0.9
84.05320	0.6
84.08137	0.9
85.02919	0.3
85.06533	0.9
90.94824	2.3
91.05492	1.2
92.05790	0.3
93.03375	0.4
93.05772	0.3
93.07035	0.7
94.03764	0.3
94.06564	0.6
94.07359	0.5
95.04974	7.5
95.06066	0.9
95.08603	2.2
96.04476	0.9
96.05272	0.3
96.08137	0.7
97.05273	2.9
97.06525	0.9
97.07647	0.4
98.06069	2.8
98.09700	1.7
99.04438	1.1
99.05560	0.4
99.08110	0.3
102.88010	0.2
107.08548	0.3
108.04470	0.5
108.08115	3.0
108.08894	1.0
108.95885	0.5
109.02884	0.7
109.06514	6.4
109.07616	1.4
109.10149	2.8
110.06047	5.0
110.06767	0.3
111.04449	2.1
111.06828	4.0
111.08047	0.6
111.09210	1.0
112.01588	0.8
112.03962	0.8
112.04778	0.8
112.07623	0.4
112.08665	1.1
112.11255	0.7
113.06003	0.8
113.07150	0.5
113.96397	4.7
119.08604	0.3
121.06482	0.4
123.04415	2.3
124.05139	0.2
124.07594	0.5
124.08680	0.3
125.06012	0.4
125.08369	1.0
126.05518	1.1
126.06351	0.4
126.09167	3.2
126.10015	0.5
127.03925	1.8
127.04763	0.3
127.07652	0.5
130.96407	0.4
131.97440	4.8
136.03874	0.6
136.04811	0.2
136.07567	1.6
136.08498	0.4
137.02374	0.3
137.05956	0.7
137.07037	0.6
137.09598	0.9
137.10570	0.3
138.05516	0.8
139.03934	0.5
139.06285	4.5
139.07532	2.9
140.03442	0.7
140.04684	1.1
148.97342	0.9
149.97185	0.7
152.07034	0.4
153.06993	0.8
154.05186	2.3
154.08630	100.0
154.99065	0.4
155.03418	1.5
155.04593	0.3
155.07022	2.6
155.08867	4.1
155.10629	0.6
155.12843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	3.8
53.35815	0.9
54.33075	1.0
55.01859	3.8
55.05509	19.9
56.05029	2.1
57.03432	4.9
57.07063	2.2
59.05002	7.8
64.74118	1.1
65.03936	52.3
65.04283	2.7
66.04262	1.0
67.05502	27.0
68.05020	2.4
68.99777	2.4
69.03426	9.6
69.04555	1.6
69.07062	27.0
70.06579	4.0
70.94257	6.5
70.95859	2.0
71.05000	10.5
71.63421	1.4
71.94094	3.0
72.08157	2.8
73.06548	1.9
75.04472	2.0
77.88490	1.1
79.05488	26.0
80.05010	3.0
80.05824	1.4
81.03405	2.8
81.07055	25.1
82.06584	1.9
83.04976	28.6
83.06117	1.6
83.08614	5.8
84.04500	1.3
84.08125	1.6
85.02876	1.6
85.06547	1.6
88.95291	1.8
91.05479	16.4
93.03399	20.8
93.07040	63.8
94.06569	2.3
94.07359	1.6
95.01344	1.1
95.04965	18.6
95.06071	3.4
95.08601	48.9
96.08156	1.0
96.08920	1.3
97.02869	6.4
97.06524	42.5
105.04526	1.5
105.07039	4.3
107.04940	11.1
107.08590	87.8
108.05624	1.4
108.08131	2.0
108.08926	3.0
109.02863	1.9
109.06532	7.8
109.07649	3.2
109.10152	49.7
110.03655	11.0
110.07188	2.3
111.04436	100.0
111.08063	13.4
111.09196	2.4
111.96877	2.8
112.04014	1.4
112.04803	3.9
112.08701	4.6
112.96714	2.3
113.05844	1.9
119.06082	1.6
119.08595	1.9
121.02834	7.2
121.06508	4.8
122.07177	1.2
123.04362	1.4
123.08039	1.3
125.02360	3.7
125.05987	35.6
125.09627	3.1
126.05550	1.4
126.06389	1.1
129.97865	3.4
134.06030	2.6
135.04420	6.5
135.05283	1.2
135.08047	7.1
135.11687	40.9
136.03906	1.3
136.04910	1.2
136.07579	3.8
136.08647	3.4
136.12009	1.7
137.02339	1.6
138.03125	4.1
138.06779	2.7
153.01840	4.6
153.05473	30.0
153.06750	3.1
153.09094	16.0
153.10185	2.5
153.11362	9.0
153.12743	47.1
153.13818	2.1
154.04944	7.1
154.06145	1.7
154.07489	1.1
154.08601	2.5
154.09723	2.4
156.23044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02365	1.7
53.00298	2.0
53.03948	3.1
55.01873	2.0
55.05512	18.9
56.05054	1.6
56.96559	1.7
57.03430	2.7
57.07074	2.8
59.04998	9.7
63.32385	1.6
65.03941	35.2
66.11040	1.3
67.05512	11.2
68.99782	2.9
69.03439	7.7
69.07067	21.8
69.41904	6.1
69.42325	8.2
70.06562	3.5
70.94254	6.1
70.95856	1.5
71.04994	32.6
71.94096	3.8
73.06556	21.9
73.06938	2.6
79.05492	37.4
80.04996	1.9
81.03416	3.2
81.07056	100.0
82.07400	1.8
83.04980	18.4
83.08623	4.3
85.06544	1.8
91.05473	14.3
93.03415	14.0
93.07043	46.6
94.06523	1.6
95.04971	13.6
95.08583	13.5
97.02885	3.9
97.06525	20.9
105.07021	2.7
107.04943	9.0
107.08591	47.0
108.04465	2.3
108.08094	2.3
108.08937	2.2
109.06539	7.6
109.10159	16.0
110.03646	8.3
110.07198	2.4
111.04445	62.6
111.08079	12.8
111.09220	1.6
111.96868	3.2
112.04801	2.5
112.08726	6.1
119.08519	1.5
121.06512	2.2
121.10161	1.5
123.04537	1.9
125.02336	3.5
125.05996	25.7
125.09647	3.6
129.97919	3.0
135.04428	11.2
135.08041	5.7
135.11681	25.1
137.06017	2.1
138.03200	1.9
138.06799	1.7
152.06255	1.7
153.01820	13.9
153.05487	23.2
153.06927	4.7
153.09077	8.8
153.11365	8.3
153.12753	21.7
154.05000	5.3
154.08646	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	153.0546
Annotation	3-Methylsalicylate
Peak:m/z	Relative Intensity
51.02375	0.5
53.03735	0.3
53.03945	3.8
55.01856	0.7
55.05504	2.3
57.03434	0.7
57.07082	0.4
59.04989	0.7
65.03937	7.3
67.05502	3.4
68.05007	0.4
68.99774	0.4
69.03428	1.5
69.04575	0.3
69.07072	2.7
70.06601	0.4
70.94262	1.0
71.04982	0.6
73.06552	0.4
75.04462	0.4
77.03923	1.1
79.05488	7.5
81.03404	1.1
81.07064	3.1
82.04212	0.3
83.04984	3.0
83.06064	0.3
83.08601	0.5
91.05496	1.8
92.02627	1.8
93.03410	3.2
93.07043	6.7
95.01336	0.5
95.04965	14.4
95.08602	4.5
97.02878	0.8
97.06521	2.8
105.03381	1.0
105.04508	1.9
105.07012	0.9
107.04948	2.8
107.08594	8.5
109.06534	1.8
109.10149	3.4
110.03679	1.4
111.04442	10.8
111.08079	4.1
111.96859	0.6
112.08687	0.9
121.06490	1.1
123.04404	0.6
125.02319	0.4
125.05988	5.2
125.09621	1.4
129.97897	0.7
134.06024	0.3
135.04413	100.0
135.08031	1.2
135.11687	3.2
136.03888	0.5
136.04758	3.8
136.07565	0.4
136.08620	0.5
138.03149	1.0
138.06772	0.6
153.01854	1.5
153.05475	4.5
153.06680	0.3
153.09126	3.4
153.10222	0.6
153.11374	1.1
153.12749	2.3
154.04944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0697
Annotation	ACENAPHTHYLENE
Peak:m/z	Relative Intensity
51.58270	0.3
51.94570	0.3
53.53866	0.2
54.36648	0.3
70.78748	0.6
70.79079	0.4
79.05499	1.9
81.07062	0.4
92.17131	0.3
95.04955	0.4
107.04952	2.4
107.08591	0.3
128.06267	0.5
135.04370	0.4
145.06429	0.4
148.24945	0.3
152.06212	15.1
153.06992	100.0
154.07777	13.8
169.06502	1.2
170.48125	0.3
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	Geranial
Peak:m/z	Relative Intensity
53.00296	0.4
53.03943	1.5
55.01874	0.9
55.05508	33.1
56.05855	0.5
56.96561	1.4
57.03432	1.2
57.07069	1.4
59.04991	2.2
65.03939	5.8
66.04706	0.4
67.05501	9.0
69.03427	3.0
69.07066	100.0
70.07403	2.0
70.94254	1.8
71.04987	3.0
71.64093	0.5
71.94099	2.6
71.95264	1.0
73.06542	0.5
79.05053	0.5
79.05493	6.4
80.05017	0.4
81.03426	0.5
81.07057	7.0
83.04981	10.6
83.08612	1.2
87.04467	0.5
88.95258	0.5
89.95147	0.3
90.21668	0.3
91.05470	3.8
93.03403	2.2
93.06467	0.7
93.07043	11.3
95.04952	2.6
95.08603	10.2
97.02902	0.9
97.06528	10.3
105.07025	1.4
107.04958	2.5
107.08593	19.6
108.08910	0.5
109.06496	1.1
109.10153	22.0
110.03642	1.3
110.10486	0.4
111.03697	0.7
111.04441	10.3
111.08058	4.1
111.11687	0.4
111.96882	0.9
112.96696	0.9
119.08559	0.9
123.04478	0.4
123.11658	0.4
125.02312	0.5
125.05990	4.2
125.09609	0.9
126.05487	0.4
129.97913	1.0
130.97696	0.6
134.05991	0.4
135.04419	2.0
135.08009	1.1
135.11687	10.7
136.07552	0.5
137.05980	0.5
138.03127	0.4
152.06230	3.2
153.01823	1.0
153.05476	4.4
153.06970	21.1
153.09090	2.1
153.12738	19.9
154.04991	2.4
154.07719	2.8
154.13091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02353	0.9
53.00295	1.1
53.03934	3.7
53.80104	0.8
54.03463	0.9
55.01853	3.2
55.05511	18.3
56.96533	0.9
57.03426	3.2
57.07068	1.9
58.06614	0.9
59.05003	9.4
63.34277	0.9
65.03600	1.3
65.03940	20.2
66.25847	0.9
67.02973	1.3
67.05502	25.1
68.05012	2.8
69.03430	6.1
69.04530	1.6
69.06715	1.3
69.07066	17.5
70.06588	2.0
70.57383	2.6
70.94244	2.5
71.04993	31.7
72.08136	2.3
73.02925	0.9
73.06555	22.7
79.05492	41.3
80.05801	1.1
81.04523	1.8
81.07056	100.0
82.06604	1.0
82.07384	2.4
83.04978	12.2
83.06091	1.2
83.08607	2.8
84.08121	0.9
85.06546	1.8
85.07651	1.4
91.05476	11.7
93.03415	11.4
93.07043	45.1
94.06595	0.9
95.01324	2.7
95.04971	10.5
95.06065	2.0
95.08597	10.6
96.05649	1.1
97.02879	2.6
97.04007	1.2
97.06528	13.7
97.07596	1.6
101.12085	1.0
105.07024	5.0
107.04938	6.0
107.06069	1.1
107.08592	61.0
108.08916	1.7
109.06519	4.6
109.07642	3.4
109.10167	11.9
110.03657	9.5
110.07204	1.6
111.04447	37.2
111.08076	10.9
111.09200	2.2
112.03978	1.0
112.04804	0.9
112.07605	1.1
112.08681	3.1
113.05867	3.2
113.07108	0.9
119.06101	1.3
119.08569	1.2
125.02365	1.5
125.05993	20.4
125.09621	4.6
126.05503	1.4
126.10266	1.4
135.04410	3.1
135.08064	5.2
135.10672	1.7
135.11688	25.7
136.07591	1.2
136.08653	1.6
136.12003	1.1
137.07047	1.7
138.03137	3.0
139.03918	2.7
148.97395	2.0
153.01866	2.1
153.04298	1.8
153.05472	13.9
153.09154	8.1
153.10223	2.2
153.11333	9.6
153.12735	13.3
154.04959	2.1
154.06129	1.3
154.08611	1.2
154.09706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03938	3.1
53.62403	0.3
55.01868	0.7
55.05508	100.0
56.05843	2.3
57.03440	0.5
57.07084	1.5
57.99156	0.3
59.05001	1.9
65.03941	1.5
67.05502	11.3
68.05016	0.5
69.03426	1.1
69.07068	5.0
70.45198	0.7
70.45600	0.7
71.04996	0.4
75.01305	0.3
78.04655	0.4
79.05491	5.6
80.05032	0.4
81.03413	1.2
81.07055	26.5
82.06605	0.3
82.07376	0.3
83.02183	0.3
83.05022	0.7
91.05471	6.0
93.07036	4.6
93.29525	0.3
95.04962	11.2
95.08602	6.2
96.05773	0.6
97.05902	0.7
97.06528	14.2
98.06824	0.6
103.05440	0.4
105.03380	0.4
105.07030	8.4
106.06588	0.5
106.07293	0.4
107.04979	0.5
107.08592	6.3
109.06514	11.8
109.10149	9.4
110.07288	2.6
110.10487	0.9
111.04407	0.5
111.07934	1.8
119.04939	0.6
121.06466	0.4
121.10150	1.3
123.04438	1.0
123.08069	3.1
123.11702	8.0
124.03909	0.3
124.07606	0.6
124.12030	0.3
128.02315	0.4
131.08569	0.6
133.06464	0.6
133.10115	3.5
151.02783	0.5
151.03915	4.7
151.05031	0.7
151.07556	2.7
151.11177	14.9
152.01662	0.7
152.07089	0.8
152.11571	0.9
169.22481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.00286	1.4
53.03942	4.7
55.01861	2.8
55.05511	34.5
56.96561	2.3
57.03432	2.9
57.07067	3.0
59.04998	3.6
65.03940	7.4
67.05505	47.6
67.79602	1.2
68.05018	3.9
68.05838	1.7
68.99786	2.1
69.03426	5.9
69.04555	1.4
69.07066	100.0
70.07388	2.7
71.04984	2.8
71.63447	2.5
77.03947	1.2
79.05097	1.1
79.05492	27.7
80.05016	1.6
80.05816	1.4
80.06284	1.2
81.03409	6.1
81.07058	72.2
82.06587	3.0
83.04989	3.3
83.06139	1.8
91.05481	32.5
93.07046	25.8
95.01373	1.3
95.04972	28.4
95.06075	2.1
95.08605	29.9
96.04479	1.9
96.08157	2.4
97.06528	5.2
98.97610	1.4
100.94486	1.1
103.05462	1.1
105.03384	2.4
105.04517	1.4
105.07030	40.3
106.06580	3.2
106.07337	1.7
107.04968	4.5
107.08596	29.4
108.02125	2.3
108.04464	1.6
108.05711	1.3
109.02896	2.3
109.06519	27.5
109.07325	1.5
109.07629	2.6
109.10153	70.3
110.07189	5.7
110.10482	2.6
111.04453	4.8
111.07948	15.8
119.04940	4.4
121.06555	1.4
121.10159	8.4
123.03627	1.9
123.04430	9.1
123.08073	25.1
123.11704	22.5
124.03912	1.4
124.07596	5.6
124.08676	3.5
124.11225	1.6
131.08601	2.2
133.02829	1.3
133.06516	2.5
133.10133	20.4
134.06049	2.6
134.07150	2.8
134.62067	1.4
136.05188	1.5
136.08795	2.4
151.02786	2.8
151.03905	23.6
151.04961	1.3
151.07564	16.0
151.08687	2.2
151.09799	4.6
151.11189	44.6
151.12247	1.9
152.01660	3.8
152.04393	1.4
152.05937	2.3
152.07082	8.9
152.08154	2.0
152.11580	2.0
158.89922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
50.98753	0.6
53.03947	4.0
55.05511	100.0
56.05854	1.1
57.00730	0.7
57.03436	1.5
57.07076	3.5
59.05005	5.1
65.03945	2.2
67.05506	18.2
69.03431	3.2
69.07074	17.6
70.80457	1.9
70.80785	0.8
71.04987	1.7
79.05494	13.0
81.03413	0.7
81.07056	59.5
82.07404	2.0
83.04991	1.7
91.05479	7.7
93.07045	11.4
95.04964	13.9
95.08605	9.4
95.31136	0.8
97.06527	15.9
98.71841	0.6
103.05476	1.5
105.07032	29.6
106.07341	1.0
107.04963	1.2
107.08591	11.3
109.06519	27.8
109.10156	17.3
110.07318	1.7
119.06005	1.0
121.10149	2.5
123.04445	0.9
123.08088	6.5
123.11713	19.7
124.12056	0.9
133.06506	1.4
133.10133	9.6
134.09630	1.4
151.02766	1.0
151.03903	1.7
151.07535	1.9
151.11186	41.3
152.01694	0.9
152.07108	1.4
152.11635	1.0
169.03465	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	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.00300	0.5
53.03947	1.8
55.01866	1.3
55.05515	19.7
56.96564	0.9
57.03445	1.2
57.07074	2.2
59.04998	2.9
65.03938	2.7
65.09370	0.5
67.05505	16.9
68.05040	0.6
69.03431	2.2
69.07069	100.0
69.86972	3.5
70.07410	2.4
71.04993	1.0
79.05501	9.0
81.03436	1.9
81.07059	30.9
82.07384	0.7
83.04980	1.7
91.05486	14.8
92.05820	0.6
93.07056	7.5
95.04971	13.0
95.08609	9.9
96.08167	0.5
97.06541	2.0
98.21531	0.5
103.05437	1.2
105.03387	0.5
105.07033	17.2
106.06585	0.6
106.07306	0.9
107.04968	1.2
107.08597	9.6
108.02116	1.4
108.05741	0.8
109.06523	12.2
109.10161	14.6
110.07211	1.0
111.04464	0.8
111.07961	2.6
119.01818	0.6
119.04942	4.2
119.08540	0.9
121.06543	0.5
121.10149	6.4
123.04439	1.6
123.08080	7.2
123.11712	12.0
131.08521	0.8
133.06453	1.6
133.07504	0.6
133.10139	8.1
134.06038	0.8
134.07097	0.6
136.05260	0.5
141.05457	1.3
151.02763	1.1
151.03905	9.2
151.05038	2.3
151.07549	7.5
151.09962	1.2
151.11188	17.0
152.01714	0.8
152.07048	1.2
152.08162	0.6
152.11552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	7782-26-5
Peak:m/z	Relative Intensity
50.77439	0.1
51.02377	0.4
53.03941	1.5
55.01866	0.6
55.05508	0.9
59.04995	0.2
64.47778	0.1
65.03934	1.0
67.05501	4.0
69.03405	0.2
69.07056	0.2
69.93943	0.8
77.03930	0.5
79.05489	19.8
80.05821	0.6
81.03416	0.5
81.07053	1.7
83.04970	0.2
91.05478	5.7
93.07047	1.1
94.15121	0.1
95.04964	3.5
95.08605	4.6
96.05318	0.2
96.37247	0.1
97.06515	0.7
98.20872	0.2
103.05466	8.5
104.05773	0.2
105.07027	100.0
106.07354	3.3
107.04939	0.3
107.08591	2.6
108.05779	0.2
109.06519	1.4
109.10191	0.3
111.96995	0.1
119.05015	0.2
119.06051	0.6
123.04487	0.3
123.08070	3.6
123.11707	0.2
133.06488	10.5
134.06850	0.4
151.02870	0.2
151.03931	0.5
151.06586	0.2
151.07536	6.1
151.11130	0.6
152.06143	0.3
152.07982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropenyl-1-cyclopenten-1-yl methyl ketone
Peak:m/z	Relative Intensity
50.20740	0.7
53.03955	6.7
54.99824	0.8
55.01870	4.2
55.05510	55.2
55.19625	0.8
56.05830	1.2
56.78959	0.8
56.96569	2.3
57.03427	1.3
57.07055	2.2
59.04997	2.8
59.59751	0.8
61.44260	0.8
63.99072	0.8
65.03926	3.5
67.05504	34.3
69.03433	4.3
69.07066	59.5
69.11889	0.8
70.07387	1.9
70.79541	3.0
71.04967	2.8
77.03939	0.9
79.05492	20.3
81.03407	3.3
81.07055	50.7
83.00772	1.1
83.04972	4.4
85.06517	1.1
91.05481	22.8
93.07043	64.9
94.07352	2.1
95.04971	41.3
95.08604	14.0
97.02917	1.2
97.06522	9.5
98.97588	1.0
103.05449	2.6
103.93502	0.8
105.04522	1.9
105.07031	42.5
106.06542	1.4
106.07347	1.7
107.04950	1.4
107.08593	31.5
108.08945	1.1
109.02870	1.5
109.06518	25.9
109.10153	100.0
110.07246	2.9
110.10491	3.8
111.07977	0.9
117.07024	0.9
121.10133	1.8
123.04456	3.6
123.08076	10.7
123.11716	12.8
124.07629	1.6
131.08516	1.5
131.66664	0.8
133.06490	4.2
133.10121	14.1
136.08875	2.0
151.02803	3.0
151.03912	10.0
151.07544	6.9
151.08574	1.4
151.11180	41.6
152.01666	1.1
152.06137	3.7
152.07106	2.5
152.08105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	m-Tolylacetic acid
Peak:m/z	Relative Intensity
51.02369	0.2
53.03945	1.1
55.01866	0.6
55.05504	0.3
60.79013	0.1
63.76954	0.1
65.03931	1.0
66.50218	0.1
67.05504	1.9
68.49049	0.1
69.03411	0.1
71.48427	0.2
74.15857	0.1
77.03916	0.4
78.29835	0.1
78.42169	0.1
79.05489	19.0
80.05823	0.4
81.03407	0.2
81.07058	0.7
83.04972	0.1
91.05473	7.1
92.05779	0.2
92.06281	0.1
93.03398	0.2
93.07040	0.5
95.04965	3.1
95.08602	3.3
96.08959	0.1
97.06519	0.7
103.05465	8.0
104.05798	0.3
105.07024	100.0
106.07343	2.9
107.04941	0.4
107.08586	3.1
108.05744	0.3
109.06515	1.6
113.75426	0.1
115.05399	0.2
119.06051	0.4
121.06524	0.1
123.04454	0.2
123.08067	2.9
124.08407	0.2
133.06487	9.7
134.06818	0.3
151.07538	5.6
151.11227	0.3
152.06091	0.1
152.07941	0.2
157.38200	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	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02372	1.1
53.03945	7.1
55.01871	3.4
55.05500	2.3
56.96550	1.0
57.03431	2.7
63.24752	0.6
65.03943	10.2
66.04729	0.9
67.05500	8.4
69.03432	1.0
69.07056	0.7
70.52212	0.8
71.04996	0.8
71.62740	1.1
77.03922	2.6
78.04701	6.1
79.05492	17.3
80.05827	2.3
80.06277	4.2
81.03423	2.1
81.07060	7.6
83.04998	0.8
90.04718	0.8
91.05480	100.0
92.05817	2.3
93.03393	1.7
93.07047	8.8
94.04192	1.5
95.04974	18.3
95.08607	6.3
96.05289	0.8
96.25089	0.7
103.05458	6.0
105.03410	1.1
105.04538	2.9
105.07051	41.2
106.04162	1.5
106.07368	1.8
107.04963	6.3
107.08592	4.0
108.05768	15.6
109.06536	8.5
109.10182	2.2
118.04162	1.9
119.04945	29.7
120.05225	0.7
121.02912	1.0
121.06513	16.6
122.06817	1.7
123.04447	3.9
123.08074	13.9
123.11687	1.9
124.07597	0.8
132.05264	2.9
133.06573	6.7
133.10110	2.1
134.05969	1.4
134.06860	1.9
135.04384	3.2
136.05247	10.0
137.05991	1.7
150.06317	1.8
151.02835	1.5
151.03975	7.7
151.07549	74.2
151.11122	5.4
152.07906	2.6
154.51184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02388	1.1
52.03173	1.0
53.03942	5.1
53.04154	0.4
54.85052	0.4
55.01870	9.5
55.02108	0.7
55.05509	13.6
56.96585	0.5
57.03449	1.5
57.07087	1.3
64.49177	0.4
65.03939	19.6
66.04268	0.6
67.05503	48.9
68.05030	0.6
68.05817	0.6
68.99789	3.0
69.03430	2.5
69.07079	1.8
70.81917	1.4
71.01368	1.7
71.05005	0.7
77.03942	1.9
79.05489	13.4
80.02634	2.4
80.05008	1.2
81.03419	3.4
81.07055	40.5
82.06590	0.6
82.07402	0.9
83.04972	1.2
83.08630	0.5
85.02916	1.6
85.32224	0.4
91.05476	14.3
92.05777	0.5
93.03410	1.4
93.05791	1.3
93.07038	16.3
94.04221	0.9
94.06585	0.6
95.01340	1.3
95.04965	19.9
95.08601	52.1
96.05277	0.5
96.08131	0.6
96.08937	1.4
96.39258	0.5
97.06514	1.7
98.03665	0.8
103.05458	1.7
105.03394	1.0
105.04514	1.9
105.07024	24.4
106.06586	0.8
106.07371	0.7
107.04965	3.6
107.08593	9.3
108.02093	21.8
108.04498	0.6
108.05717	1.4
108.08127	7.2
109.02931	2.8
109.06516	9.6
109.07631	0.7
109.10152	10.3
109.10900	0.6
110.07171	1.5
111.04449	5.5
111.07933	3.4
112.01585	1.7
118.04296	0.5
118.06565	0.5
119.04939	3.4
121.03976	1.2
121.06503	0.7
121.10145	0.8
122.06029	1.1
122.08405	1.6
123.04444	3.9
123.08062	89.9
123.11680	3.4
124.07580	0.9
124.08413	3.4
125.78272	0.4
127.03897	0.7
133.02855	0.6
133.06482	4.9
133.10130	4.5
134.06023	0.7
134.07141	0.5
134.09631	4.2
135.04474	0.7
136.01579	2.9
136.05190	1.0
136.08835	0.4
139.03882	0.5
141.05466	18.2
141.09082	3.8
142.05782	0.8
151.03877	100.0
151.05022	35.5
151.07518	22.4
151.09929	0.7
151.11148	10.2
151.12299	5.1
151.14777	1.2
152.01628	0.8
152.04231	3.4
152.05598	4.3
152.08101	1.0
152.11710	0.5
153.04048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	1.7
55.05510	5.5
57.07055	0.9
60.40236	0.9
64.82313	0.8
65.03941	49.8
66.04271	1.1
67.05498	2.7
67.17272	0.8
69.03415	0.9
69.07073	5.3
70.92408	0.9
79.05492	10.7
81.03432	1.7
81.07049	8.9
91.05486	13.9
93.03401	11.1
93.07043	27.0
94.07386	1.2
95.04955	3.1
95.08603	1.4
98.03671	2.1
103.05479	2.6
105.03404	1.1
105.04507	0.9
105.07018	5.4
107.08604	17.2
108.04500	1.3
108.08884	0.9
109.06496	2.1
111.04441	10.5
116.06229	1.3
116.98824	0.9
121.02865	54.8
121.03964	13.0
121.06465	4.4
121.10128	8.5
122.03204	3.0
122.06017	0.9
131.04961	1.6
131.08592	1.9
149.02344	100.0
149.05963	2.7
149.09604	4.0
149.13268	6.1
150.02667	7.3
150.05515	2.4
167.03438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.52704	0.9
52.17539	0.9
53.03948	7.0
55.01863	4.0
55.05501	3.7
65.03600	1.9
65.03939	36.8
66.04250	1.0
67.05484	2.2
69.03414	4.3
69.07063	2.3
70.07706	5.8
78.04707	1.0
79.05493	31.4
79.05958	1.8
80.02616	1.2
81.03421	1.3
81.07053	4.6
91.05479	69.5
92.05791	2.5
93.03405	9.9
93.07043	43.5
94.07362	2.5
95.04979	9.3
98.03703	2.0
102.06392	1.1
103.05476	13.9
105.04522	1.9
105.07030	54.2
106.04177	1.2
106.07909	5.3
107.04939	2.9
107.08611	7.9
108.04436	1.1
109.06505	4.2
109.07650	1.8
110.08411	2.2
111.04453	7.2
115.05447	8.7
116.06242	25.0
119.08597	8.6
120.47993	0.9
121.02861	41.9
121.03971	10.7
121.06503	21.2
121.10141	41.0
122.03200	2.4
122.07014	1.3
122.10448	3.4
123.08081	6.5
128.06244	1.7
129.07008	6.5
131.04924	3.5
131.08565	21.7
132.05653	1.2
132.08932	1.6
133.06534	1.9
133.07593	3.8
134.07259	3.4
147.08011	3.3
149.02342	81.7
149.06026	2.6
149.09615	100.0
149.13214	2.9
150.02682	5.3
150.05489	1.4
150.10001	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	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03938	4.5
55.05513	9.1
57.07066	1.9
65.03947	11.0
66.34959	0.9
67.05509	6.3
69.07072	17.0
79.05073	1.8
79.05497	23.0
81.07057	33.7
82.07409	1.2
83.08635	1.6
91.05480	22.4
93.03394	2.5
93.07043	100.0
94.07377	2.6
95.04971	6.3
95.08597	6.4
98.20728	2.5
105.04520	1.4
105.07027	9.1
107.08593	56.7
108.08900	1.4
109.06515	2.5
111.04448	1.4
119.06015	1.1
119.08617	1.6
121.02862	9.8
121.03902	2.0
121.10143	25.6
149.02338	15.6
149.13257	29.8
150.13579	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	1.7
55.05510	5.5
57.07055	0.9
60.40236	0.9
64.82313	0.8
65.03941	49.8
66.04271	1.1
67.05498	2.7
67.17272	0.8
69.03415	0.9
69.07073	5.3
70.92408	0.9
79.05492	10.7
81.03432	1.7
81.07049	8.9
91.05486	13.9
93.03401	11.1
93.07043	27.0
94.07386	1.2
95.04955	3.1
95.08603	1.4
98.03671	2.1
103.05479	2.6
105.03404	1.1
105.04507	0.9
105.07018	5.4
107.08604	17.2
108.04500	1.3
108.08884	0.9
109.06496	2.1
111.04441	10.5
116.06229	1.3
116.98824	0.9
121.02865	54.8
121.03964	13.0
121.06465	4.4
121.10128	8.5
122.03204	3.0
122.06017	0.9
131.04961	1.6
131.08592	1.9
149.02344	100.0
149.05963	2.7
149.09604	4.0
149.13268	6.1
150.02667	7.3
150.05515	2.4
167.03438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.00302	0.4
53.03943	3.4
54.63155	0.4
55.01875	2.7
55.05499	1.4
56.96560	0.4
65.03939	52.5
66.04273	1.3
66.93215	0.4
67.05491	1.6
68.71579	0.4
68.99776	1.2
69.03417	1.1
69.07052	1.2
69.98483	2.5
69.98832	0.6
70.44655	0.4
72.33929	0.4
77.03909	0.8
78.04713	5.2
79.01807	0.4
79.05486	6.7
80.04996	0.5
81.03429	1.3
81.04539	0.5
81.07048	4.2
89.03907	2.7
91.05479	20.2
92.05796	0.8
93.03404	11.7
93.07043	16.5
93.07635	0.9
94.07371	0.4
95.04973	6.3
95.08598	0.7
98.03658	2.7
103.05466	7.4
105.03389	1.4
105.04505	1.1
105.07018	6.2
106.04170	9.8
107.04974	1.8
107.08598	7.8
108.04471	1.7
108.08984	0.6
109.06507	1.6
110.08418	0.6
111.04441	11.4
116.06243	1.1
117.03428	1.0
119.04917	0.7
119.08597	1.5
121.02866	59.2
121.03964	12.9
121.06497	13.1
121.10149	7.1
122.03149	2.5
122.06045	0.7
122.07100	1.6
124.05225	0.6
129.07005	0.8
131.04948	3.2
131.08531	2.6
134.03636	3.2
135.04399	0.9
140.08257	0.6
149.02341	100.0
149.05975	10.8
149.08391	0.8
149.09628	10.9
149.13287	2.7
150.02655	5.0
150.03696	1.0
150.05481	1.5
150.06607	0.8
150.10156	1.2
167.03404	1.5
169.03481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.00302	0.4
53.03943	3.4
54.63155	0.4
55.01875	2.7
55.05499	1.4
56.96560	0.4
65.03939	52.5
66.04273	1.3
66.93215	0.4
67.05491	1.6
68.71579	0.4
68.99776	1.2
69.03417	1.1
69.07052	1.2
69.98483	2.5
69.98832	0.6
70.44655	0.4
72.33929	0.4
77.03909	0.8
78.04713	5.2
79.01807	0.4
79.05486	6.7
80.04996	0.5
81.03429	1.3
81.04539	0.5
81.07048	4.2
89.03907	2.7
91.05479	20.2
92.05796	0.8
93.03404	11.7
93.07043	16.5
93.07635	0.9
94.07371	0.4
95.04973	6.3
95.08598	0.7
98.03658	2.7
103.05466	7.4
105.03389	1.4
105.04505	1.1
105.07018	6.2
106.04170	9.8
107.04974	1.8
107.08598	7.8
108.04471	1.7
108.08984	0.6
109.06507	1.6
110.08418	0.6
111.04441	11.4
116.06243	1.1
117.03428	1.0
119.04917	0.7
119.08597	1.5
121.02866	59.2
121.03964	12.9
121.06497	13.1
121.10149	7.1
122.03149	2.5
122.06045	0.7
122.07100	1.6
124.05225	0.6
129.07005	0.8
131.04948	3.2
131.08531	2.6
134.03636	3.2
135.04399	0.9
140.08257	0.6
149.02341	100.0
149.05975	10.8
149.08391	0.8
149.09628	10.9
149.13287	2.7
150.02655	5.0
150.03696	1.0
150.05481	1.5
150.06607	0.8
150.10156	1.2
167.03404	1.5
169.03481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03938	1.4
53.94321	0.6
55.05508	8.9
65.03943	4.7
67.05489	2.0
69.07042	1.0
69.73253	4.6
79.05493	6.5
84.04510	1.1
85.13073	0.7
91.05481	70.8
92.05799	2.6
93.07032	3.7
95.04942	2.2
98.21492	1.4
102.04688	1.9
103.05466	4.2
104.06248	1.4
105.07030	59.5
106.07356	3.0
107.08601	10.2
115.05453	2.8
116.06239	2.3
117.07017	18.6
119.04940	32.1
119.08578	100.0
120.04456	0.7
120.05268	2.0
120.08905	5.3
129.07004	1.3
130.04114	1.7
130.07774	2.5
131.08569	3.2
132.09331	7.3
145.10132	8.5
146.10480	0.9
147.03329	0.4
147.04422	13.3
147.08044	1.9
147.11691	40.5
148.12033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.94321	0.6
55.05508	8.9
65.03943	4.7
67.05489	2.0
69.07042	1.0
69.73253	4.6
79.05493	6.5
84.04510	1.1
85.13073	0.7
91.05481	70.8
92.05799	2.6
93.07032	3.7
95.04942	2.2
98.21492	1.4
102.04688	1.9
103.05466	4.2
104.06248	1.4
105.07030	59.5
106.07356	3.0
107.08601	10.2
115.05453	2.8
116.06239	2.3
117.07017	18.6
119.04940	32.1
119.08578	100.0
120.04456	0.7
120.05268	2.0
120.08905	5.3
129.07004	1.3
130.04114	1.7
130.07774	2.5
131.08569	3.2
132.09331	7.3
145.10132	8.5
146.10480	0.9
147.03329	0.4
147.04422	13.3
147.08044	1.9
147.11691	40.5
148.12033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.30237	0.7
53.03935	1.0
55.05515	7.4
67.05501	1.7
69.07057	1.9
70.87836	1.6
70.88178	1.7
79.05497	6.8
81.07028	1.5
91.04973	1.5
91.05483	17.0
93.07040	1.3
94.59873	1.0
95.04967	1.0
97.92803	0.9
102.30794	0.7
103.05452	3.6
105.07032	100.0
106.07373	3.3
107.08581	3.2
117.07024	6.0
119.04924	1.5
119.08584	53.7
120.08905	1.9
132.03015	0.8
132.09334	2.6
133.13770	0.8
145.10153	3.9
147.10503	1.5
147.11694	31.9
148.12007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	1.7
53.40808	0.6
55.05507	13.7
56.05846	0.6
64.92809	1.4
65.03938	2.3
67.05499	2.3
69.07065	2.5
71.23924	1.4
71.50324	0.6
79.05485	7.8
81.07050	2.8
91.05475	30.6
92.05807	0.9
93.07047	3.4
95.04955	1.8
103.05459	4.4
104.06271	0.8
105.07023	100.0
106.07307	3.7
107.08563	2.9
116.06226	1.0
117.07009	7.9
119.04942	8.3
119.08572	68.0
120.04478	0.8
120.08928	3.9
123.96414	1.0
129.07021	0.8
132.09341	2.9
145.10121	4.5
147.04445	2.8
147.05478	0.9
147.08034	2.2
147.11674	61.7
148.03947	0.6
148.12000	4.0
154.43663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05259	1.1
55.05506	12.3
65.03934	1.6
67.05503	6.4
69.07070	2.4
70.02984	0.7
70.34623	2.7
70.35356	0.6
79.05051	1.2
79.05488	12.3
81.07046	3.3
91.05478	43.8
92.05816	2.0
93.07050	4.6
95.04959	1.8
98.20854	0.7
103.05458	4.7
105.07026	100.0
106.07330	5.0
107.08570	1.9
117.07002	6.9
119.04939	4.2
119.08575	59.6
119.37379	0.7
120.08881	3.1
123.96442	1.3
130.07738	0.8
131.08548	1.1
132.09346	2.3
145.10123	4.9
147.04417	2.2
147.08034	1.3
147.11679	50.9
148.12013	3.0
161.02394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02394	0.9
53.03934	2.8
55.01862	1.2
55.05510	13.5
65.03928	3.8
65.39499	0.9
67.05502	10.4
69.07067	2.4
71.65784	1.3
74.45377	0.8
79.05491	15.0
81.07048	6.7
84.96033	1.5
91.05476	75.1
92.05811	3.6
93.07041	10.5
95.04983	3.9
98.97568	0.9
103.05468	6.3
103.64194	0.9
104.06284	1.9
105.07027	100.0
106.07286	4.8
107.04937	1.1
107.08597	2.3
115.05435	2.5
117.00898	0.8
117.07014	17.6
119.04910	7.2
119.08575	92.5
120.08886	4.5
123.96487	1.0
128.06238	2.0
129.06992	6.2
131.08530	1.9
132.05710	4.2
132.09348	2.2
145.10135	4.9
146.99593	1.0
147.04422	5.4
147.05476	1.2
147.08040	20.2
147.11685	33.0
148.08444	1.5
148.12032	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03927	1.0
55.01862	1.4
55.05510	2.5
56.06346	0.4
62.76477	0.3
65.03934	1.0
67.05503	0.7
69.07051	0.6
69.62083	0.3
71.25376	0.7
79.05499	4.3
81.07055	0.4
91.05481	19.2
92.05802	0.9
93.07043	1.8
95.04981	1.0
101.85828	0.3
103.05464	4.7
104.06280	0.7
105.07031	100.0
106.07356	4.9
107.04944	1.1
115.05452	0.8
117.07018	4.5
119.04923	2.3
119.08579	22.8
120.08910	0.7
128.06204	0.8
128.16119	0.4
129.07040	2.0
132.05693	1.2
145.10149	1.2
147.04436	3.0
147.08054	15.6
147.11705	10.2
148.08392	1.0
148.11983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03941	2.4
55.05515	12.8
64.92789	1.0
65.03951	1.4
67.05492	2.6
69.07063	2.2
70.18544	3.8
79.05499	5.8
81.07044	1.5
91.05485	26.9
92.05793	1.3
93.07035	3.1
95.04947	1.0
103.05463	3.8
105.07028	100.0
106.07331	5.5
107.08574	2.3
117.06997	6.9
118.07819	1.1
119.04914	4.9
119.08578	66.2
120.04512	1.0
120.08903	3.7
123.96478	1.8
129.06987	1.3
132.09404	2.2
143.99084	1.1
145.10107	7.8
147.04398	3.0
147.11682	80.7
148.12029	6.4
148.14186	1.0
163.45068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03931	1.4
55.01871	0.9
55.05261	1.2
55.05511	14.6
62.22399	0.7
64.92792	1.5
65.03935	2.3
67.05505	2.5
69.07059	1.8
71.24718	1.8
79.05492	8.5
81.07061	3.2
91.05480	39.8
92.05822	1.5
93.07050	2.9
95.04967	1.3
98.97723	0.7
103.05505	3.4
104.06232	1.4
105.07030	100.0
106.07327	4.6
107.08591	2.8
115.05427	0.9
116.06184	0.7
117.07018	10.6
119.04938	10.9
119.08579	69.4
120.08890	3.4
123.96439	2.5
129.07008	1.3
130.07765	0.9
131.08562	1.1
132.09352	3.3
145.10089	5.4
147.04408	5.6
147.05563	2.0
147.08020	4.3
147.11687	76.4
148.03938	0.9
148.07510	0.9
148.12036	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05511	14.1
65.03944	3.9
65.18647	0.9
65.63432	0.7
67.05484	2.4
69.07052	3.1
72.82155	0.8
79.05490	7.3
80.69236	0.8
81.07061	2.2
88.23318	0.8
91.05480	48.9
92.05805	2.4
93.07066	2.6
94.34090	1.0
95.04975	2.0
103.05460	3.4
104.06252	1.0
105.07030	100.0
106.07343	4.1
107.08594	3.1
115.05422	1.1
117.07008	8.6
119.04948	18.7
119.08581	69.7
120.04517	1.8
120.08923	3.4
122.92581	0.8
129.06976	1.8
130.07759	0.9
131.08482	1.3
132.09317	2.5
145.10133	5.1
147.04431	8.8
147.05492	2.0
147.08052	3.6
147.11684	72.2
148.03920	1.2
148.12007	4.5
156.24716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.02359	0.3
52.43504	0.2
53.03939	0.9
55.01866	1.2
55.05505	2.0
55.35030	0.3
65.03929	0.7
67.05509	0.4
69.07065	0.5
71.65610	0.3
71.65993	0.4
77.03934	0.3
79.05487	4.6
86.75017	0.3
91.05475	16.8
92.05804	1.1
93.07046	1.7
95.04962	1.4
97.02551	0.3
103.05463	5.5
104.06261	0.5
105.07024	100.0
106.07348	4.7
107.04958	0.8
107.07761	0.3
107.08582	0.6
115.05449	1.0
117.06181	0.5
117.07000	4.5
119.04950	1.6
119.08572	24.2
120.08907	1.2
128.06155	0.7
129.07021	2.5
131.04919	0.3
132.05716	1.5
132.09369	0.4
145.10138	0.9
147.04408	3.0
147.08046	18.0
147.11691	10.1
147.12898	0.3
148.08394	1.0
148.12021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.06562	0.4
53.03934	0.6
55.05505	0.5
61.98307	0.4
64.48199	0.4
65.03942	11.3
67.05505	0.5
70.54088	1.8
76.44969	0.4
91.05481	100.0
92.05820	2.9
95.04937	0.8
103.05480	0.7
104.50106	0.5
105.07032	5.0
117.07011	1.1
119.04943	91.2
119.08575	6.6
120.05278	3.6
132.09329	0.5
147.04414	33.3
147.08067	1.2
147.11694	2.2
148.04776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.8
53.03941	1.7
55.01627	0.9
55.01872	12.0
55.05501	2.0
65.03941	2.7
66.12575	0.5
67.05501	0.7
71.62659	0.8
79.05499	7.3
91.05480	84.6
92.05807	3.3
93.07037	6.1
95.04963	2.7
101.28440	0.5
103.05463	12.7
104.06255	5.5
105.07030	66.0
106.07349	3.6
107.04961	3.9
109.06503	1.0
115.05457	5.2
117.07015	39.8
118.07357	1.5
119.04956	3.7
119.08578	81.5
120.08908	3.2
121.06503	1.0
128.06227	6.0
129.07010	23.9
130.07349	1.5
131.04884	1.2
132.05693	9.9
145.06464	0.7
145.10147	0.8
147.04445	3.9
147.08047	100.0
147.11726	8.0
148.08388	5.2
155.06047	1.1
161.05559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	1.1
51.50339	0.8
53.03948	2.1
55.01876	5.4
55.05493	3.9
65.03922	3.0
67.05488	1.2
69.03406	1.1
71.64383	1.5
72.61074	0.8
79.05476	8.3
91.05477	100.0
91.80013	1.0
92.05789	3.7
93.07034	6.2
95.04970	2.8
103.05463	7.3
104.06232	4.3
105.04537	1.1
105.07025	57.7
106.07322	2.0
107.04957	11.8
107.07803	1.1
107.08562	1.5
115.05453	2.9
117.06209	1.8
117.07015	26.6
118.07339	1.1
119.04945	15.6
119.08573	94.8
120.04462	1.1
120.08927	3.5
122.07980	1.0
123.96458	1.4
128.06221	6.2
129.07010	16.4
131.04964	1.8
132.05702	11.5
145.06596	3.8
145.10156	3.0
147.04417	10.5
147.08046	56.2
147.10651	2.0
147.11684	15.5
148.08423	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
52.70876	1.2
53.03938	2.4
55.01866	10.7
55.05497	5.3
60.37548	1.2
61.84723	1.2
64.92801	2.1
65.03933	5.3
65.12601	1.3
67.05499	1.6
71.65305	2.0
71.65706	1.8
79.02110	1.5
79.05486	9.6
85.27740	1.2
91.05475	100.0
92.05815	3.2
92.97743	1.3
93.07024	5.9
95.04957	2.7
103.05471	10.3
104.06241	4.6
105.07027	91.4
106.07344	3.8
107.04956	4.3
107.08606	1.5
115.05447	4.0
117.07011	35.9
118.07355	1.6
119.04939	18.4
119.08573	93.2
120.08903	4.2
123.96451	3.9
128.06210	4.1
128.40294	1.5
129.06996	15.5
132.05710	8.7
145.10100	2.6
147.04401	12.7
147.05469	2.4
147.08041	77.8
147.10634	2.6
147.11682	23.0
148.08397	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
57.64983	0.8
59.22718	0.7
67.05497	1.4
70.05596	0.8
70.06672	4.4
71.04978	3.6
74.24150	0.9
79.05478	3.3
81.03410	1.4
85.02872	1.5
89.03934	1.1
91.05477	29.0
92.05829	1.0
99.04469	8.6
103.05438	4.9
105.07030	74.2
106.07354	3.2
115.05458	18.6
116.06261	6.3
117.07016	47.7
118.07339	1.4
119.12896	1.0
121.96622	1.3
128.06200	7.5
129.07014	14.1
130.07793	51.0
131.08141	2.0
132.76036	0.9
143.08560	12.4
145.06490	13.5
145.10120	100.0
146.05937	1.1
146.10432	5.1
147.08070	1.3
147.55559	0.8
155.06033	1.7
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
52.66874	1.1
53.03928	2.8
55.01858	1.5
57.03423	1.0
61.06881	0.9
62.92958	1.1
66.68825	0.9
67.05501	2.4
69.03437	1.3
69.88902	6.9
71.04998	7.5
71.29630	0.9
79.05479	2.2
81.03394	3.1
85.02882	3.0
91.05473	27.6
97.02877	1.3
98.20673	1.0
99.04452	17.3
101.02317	1.1
103.05449	4.6
105.07022	76.9
106.07382	2.7
111.19477	1.3
115.05449	15.7
116.06250	5.2
117.07011	47.8
117.07851	2.3
118.07369	2.0
121.96616	3.9
127.03908	2.8
128.06223	8.2
129.07021	16.3
130.07787	48.8
131.08131	1.2
143.08546	12.0
145.04964	1.5
145.06474	4.4
145.10114	100.0
146.05978	1.6
146.10477	5.1
155.06085	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0924
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
51.01449	0.4
55.05503	0.6
56.05032	1.8
59.67230	0.4
60.05647	23.1
62.94129	0.4
68.05031	1.3
69.03429	9.7
70.38036	0.8
70.38438	1.4
72.08160	0.7
82.06601	1.1
83.06115	3.8
84.10840	0.4
86.06066	85.2
87.04465	100.0
87.06393	1.1
88.04809	1.6
93.74590	0.4
96.98038	0.4
99.13454	0.4
104.07104	13.5
111.05564	11.9
128.08195	8.8
129.06604	2.6
138.51935	0.4
146.09242	44.9
147.09628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01854	0.9
60.50694	0.7
63.33202	0.7
65.03916	0.9
67.00932	0.8
67.05497	1.7
69.39580	8.0
71.04988	1.9
79.05489	4.3
81.03409	1.1
86.78517	0.8
91.05478	18.9
99.04437	4.8
103.05466	4.4
105.07025	83.2
106.07359	1.7
109.99929	0.9
115.05452	14.2
115.51444	1.0
116.06249	4.0
117.07013	34.1
117.07838	1.7
118.07382	1.3
121.96653	0.8
128.06223	8.2
129.06996	12.8
130.07788	48.3
131.08125	1.7
143.08546	8.8
145.06490	2.0
145.10114	100.0
146.10437	5.7
155.05992	0.9
163.13792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18755	1.1
53.03930	3.3
57.03436	1.8
60.42377	1.1
62.92971	1.6
65.03951	1.4
67.05484	1.7
69.03411	1.4
71.04988	6.4
71.18732	3.1
75.40847	1.0
79.05487	2.2
81.03416	2.1
85.02865	2.7
85.05334	1.1
91.05481	26.0
99.04449	18.8
103.05454	3.1
105.07027	83.5
106.07346	1.5
115.05450	18.2
116.06223	3.2
117.07014	45.6
118.07310	1.8
121.96633	2.0
127.03904	3.0
128.06201	7.7
129.07005	13.1
130.07797	52.8
131.08118	1.4
143.08551	10.3
144.08978	1.1
145.04985	1.2
145.06479	6.4
145.10118	100.0
146.10458	7.3
155.05972	1.3
158.81516	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76826	0.5
56.96542	1.2
69.03390	1.7
69.37800	1.4
69.38222	3.6
82.66650	0.5
85.91703	0.5
91.05460	2.0
97.02881	2.2
98.21503	1.2
103.05467	2.5
115.05457	8.0
125.02341	1.9
127.05434	1.6
128.06223	100.0
129.06596	4.7
141.06981	4.6
142.07559	2.0
142.70712	0.5
143.03401	20.3
143.04514	1.2
143.08569	35.9
144.03773	1.0
144.08907	2.8
145.06493	6.6
146.06833	0.7
155.06032	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	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
67.05492	1.8
71.04976	3.3
71.17347	1.0
71.17708	1.9
79.05479	1.6
81.03397	1.4
85.02917	0.7
91.04949	1.5
91.05477	19.2
99.04446	6.6
103.05462	3.9
105.07027	72.7
106.07353	1.9
115.05442	12.2
116.06225	2.2
117.06199	1.7
117.07013	30.8
118.07330	1.4
119.08485	0.7
121.96624	1.2
127.03916	1.4
128.06204	6.2
129.06999	13.5
130.07796	44.0
130.82957	0.8
131.08101	1.1
143.08562	9.9
145.06421	2.4
145.10117	100.0
146.10481	5.4
155.05948	1.1
157.07536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48550	0.8
51.02375	0.8
53.03943	6.7
55.01855	2.9
55.05495	1.5
56.96563	0.8
57.03428	3.7
59.04982	1.4
62.92978	3.4
63.02378	1.0
67.05502	2.0
68.05003	1.0
69.03419	3.0
70.19314	4.1
70.43069	0.8
71.01343	2.8
71.04988	20.6
76.76897	0.7
79.05482	2.5
81.03416	7.8
85.02895	9.2
86.06065	1.6
89.03904	8.5
91.05475	27.5
92.05805	1.0
92.41623	1.0
97.02877	2.6
99.04448	47.8
100.04782	0.9
100.07593	1.1
101.02370	1.3
103.05434	4.5
105.07022	78.0
106.07384	2.5
106.74895	0.9
115.05444	20.0
116.06200	3.7
116.64379	0.9
117.03365	3.0
117.07011	38.9
117.07846	2.0
118.06537	3.0
118.07329	2.2
121.96648	4.8
127.03905	7.7
128.06213	7.2
129.07021	13.1
130.07776	50.9
131.08093	2.3
141.86169	0.9
143.08530	10.3
145.03874	1.9
145.04988	3.0
145.06480	8.2
145.10114	100.0
146.06044	2.8
146.08047	1.8
146.09415	0.9
146.10474	5.8
155.06052	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
55.01874	0.9
65.03944	0.6
69.03419	4.1
69.67632	2.4
69.68052	0.7
70.06591	0.4
71.01370	0.5
71.04967	0.4
83.01318	0.4
83.88493	0.4
85.02910	1.4
87.10804	0.4
91.05485	1.0
97.02886	3.0
98.06051	1.2
103.05465	2.7
103.86309	0.4
115.05448	15.8
115.06264	0.8
125.02354	3.7
127.05458	1.7
128.06218	100.0
129.06503	4.9
139.01865	0.5
141.06982	3.8
142.07396	1.7
143.03387	36.8
143.08554	30.7
144.03699	1.6
144.05629	0.5
144.08946	2.8
145.06497	6.8
155.06021	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
62.92757	0.4
65.03960	0.5
69.03429	1.5
73.30196	0.4
85.02899	0.8
91.05458	1.5
97.02899	1.3
98.06034	0.6
99.98356	0.5
103.05464	2.4
115.05456	5.3
116.05807	0.4
123.04710	0.4
125.02347	1.8
127.05418	2.1
128.06221	100.0
129.06505	5.4
141.07024	3.9
142.07809	2.0
143.03400	13.9
143.08559	33.3
144.08891	2.4
145.06487	7.3
155.06033	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
58.67612	0.4
67.13731	0.4
70.01525	2.8
74.82076	0.5
91.05472	1.6
92.90926	0.5
98.21510	0.6
103.05462	2.2
115.05449	6.5
117.65907	0.5
127.05461	1.9
128.06221	100.0
129.06516	7.1
141.06999	4.6
142.07784	2.5
143.03409	3.3
143.08563	40.3
144.08916	3.3
144.09918	0.6
145.06477	6.6
145.23956	0.5
155.06047	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
65.03900	0.5
70.22380	0.4
71.64440	0.5
71.64848	0.7
83.97453	0.4
89.86422	0.4
91.05473	1.4
95.04948	0.4
103.05456	2.5
115.05447	6.1
117.07007	0.5
125.63437	0.4
127.05431	1.9
128.06216	100.0
129.06496	4.6
135.71333	0.4
141.06996	4.3
142.07664	1.7
143.03427	3.2
143.08557	30.2
144.08887	1.3
145.06483	6.4
155.06021	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
55.01856	0.8
56.79996	0.5
56.96554	2.4
69.03422	2.3
69.43248	3.2
69.43655	0.8
70.06548	0.5
85.02911	0.7
91.05476	1.2
96.15062	0.4
97.02884	2.5
98.06075	0.6
101.17223	0.4
102.04630	0.4
103.05453	3.7
115.05460	7.6
117.07021	0.6
118.37001	0.3
125.02322	2.5
127.05449	2.2
128.06215	100.0
129.06496	4.7
141.06998	3.9
142.07709	1.6
143.02502	0.2
143.03394	23.0
143.08554	33.2
144.03720	0.9
144.08922	2.1
144.10141	0.5
145.06477	6.5
155.06035	7.3
155.07289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.99856	4.4
60.04519	2.4
66.01839	1.0
69.03423	2.0
70.99458	1.9
70.99862	4.2
75.77596	0.9
77.00895	4.7
81.04522	3.1
82.99841	1.1
85.02901	14.1
85.64590	0.9
89.00900	2.6
95.01940	1.4
97.02864	2.0
99.53471	1.1
100.02444	1.3
101.00876	25.1
102.00942	1.4
103.02506	1.0
119.01915	100.0
120.01990	7.3
124.02430	1.0
125.02385	2.7
126.05521	1.4
128.06204	1.0
137.02942	20.4
138.03061	1.1
142.03539	4.2
143.01947	3.8
143.03406	15.7
144.06541	4.1
161.02972	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
69.47244	0.3
70.01015	1.8
70.01369	0.4
83.73555	0.3
91.05487	1.1
100.65400	0.3
103.05457	2.9
112.38342	0.3
115.05444	4.5
117.07022	0.5
127.05443	2.0
128.06219	100.0
129.06505	3.8
132.31783	0.3
141.07004	4.3
142.07666	1.3
143.03436	0.7
143.08559	36.5
144.08914	1.5
145.06490	6.2
155.06035	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58500	0.3
56.59117	0.2
69.53476	0.3
70.76225	0.8
73.71858	0.2
88.99026	0.3
91.05467	0.9
95.04944	0.2
101.64706	0.3
102.80138	0.2
103.05453	3.3
111.36454	0.2
112.51037	0.3
115.05443	5.9
116.05795	0.3
117.06989	0.3
127.04619	0.4
127.05410	2.0
128.06210	100.0
129.06493	3.7
141.06984	4.1
142.07828	1.6
143.03447	0.8
143.08548	36.6
144.08867	1.4
145.06474	7.0
146.06799	0.3
155.06026	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
69.03400	1.1
71.25051	1.0
79.75555	0.5
91.05460	1.6
94.59158	0.4
97.02877	0.9
103.05460	3.1
115.05438	6.4
115.06167	0.7
123.75928	0.4
125.02367	1.1
127.05426	1.9
128.06218	100.0
129.06477	4.8
141.07005	4.8
142.07501	1.1
143.03400	9.8
143.08559	31.1
144.03694	0.5
144.08908	2.2
145.06485	6.4
150.64418	0.5
155.06035	6.0
156.06317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28552	2.6
60.79686	2.7
69.52554	2.6
71.06423	8.0
82.99853	4.0
85.50498	2.4
88.18789	3.0
88.51690	3.4
100.38067	3.3
101.00876	22.5
110.62959	2.6
118.03486	5.0
119.01913	100.0
124.97576	3.2
128.49500	3.5
133.98106	10.5
134.72014	2.6
134.97943	2.5
136.04521	5.5
137.02953	36.7
137.50043	12.4
142.03471	18.7
145.48914	4.2
160.04587	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49007	1.0
56.96561	17.4
58.96149	1.7
66.63795	1.0
70.98089	1.9
71.36945	1.8
71.37299	2.2
77.00873	1.0
79.05480	5.5
81.03382	1.2
81.04511	1.4
82.06606	1.7
82.99822	1.3
93.95695	1.1
96.01519	1.8
96.08120	1.5
97.06511	1.8
98.97559	5.0
100.02470	3.2
100.97160	3.6
100.97997	1.7
101.00867	20.7
101.95005	1.4
101.97266	1.4
116.98571	2.5
118.03497	3.8
118.98246	1.7
118.99043	2.3
119.01911	100.0
120.01971	2.2
125.05975	1.4
136.04523	4.2
137.02943	33.9
137.04005	1.7
142.03479	15.4
142.08606	1.8
142.09796	1.6
143.01909	1.0
143.03439	6.2
145.98204	1.2
160.04594	6.9
160.67839	1.0
161.02893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.03460	0.9
54.04288	0.7
55.01875	3.0
55.03778	0.6
55.05495	2.0
56.05033	7.5
56.96568	4.5
57.03448	0.7
57.04545	0.8
58.02947	1.8
58.06600	2.6
59.05001	0.7
59.06126	9.7
59.93100	1.3
60.04256	0.9
60.04527	9.2
67.02977	0.5
67.05504	1.0
68.05029	6.5
68.99786	0.6
69.03078	0.8
69.03430	11.5
69.04556	0.6
69.07056	1.1
70.06576	2.2
71.01348	1.3
71.02663	0.6
71.02997	1.3
71.04996	25.7
72.04520	10.2
72.06906	1.6
74.06067	2.0
75.05615	2.7
79.01859	0.7
79.05068	0.8
79.05497	12.0
80.05016	1.6
81.03418	1.5
81.04550	3.0
81.07039	1.0
82.02943	3.0
82.03753	1.6
82.05324	0.7
82.06577	1.8
83.01331	0.8
83.05010	0.9
83.06104	9.5
84.04499	7.1
84.08148	0.9
85.07674	2.9
86.06072	3.0
86.08434	2.2
88.47591	0.6
88.99182	0.6
94.06522	0.7
95.04984	1.1
95.06077	1.1
96.04477	2.1
96.05264	1.1
96.08131	3.8
97.02898	10.2
97.06503	2.0
97.07643	5.3
98.06051	1.8
99.05582	2.9
100.07633	1.0
100.08739	0.8
101.00871	1.5
101.07152	5.7
101.95023	1.1
104.01271	1.7
106.06559	27.3
107.06128	0.8
107.06881	1.0
109.00486	1.0
110.01306	0.8
111.02049	0.7
112.08730	1.7
114.09168	1.2
114.58591	0.5
115.08698	0.6
116.01247	0.7
118.01022	0.6
118.03594	0.7
118.96776	2.3
119.01924	12.5
124.03978	0.9
124.07596	66.5
125.02370	11.1
125.06003	1.0
125.07114	3.6
125.07947	2.8
125.09476	1.0
125.10824	0.6
128.06206	6.6
136.04565	1.0
137.02969	6.3
137.97174	0.6
138.02985	0.6
141.06982	2.9
142.02489	0.7
142.03458	2.9
142.04945	1.3
142.05980	0.9
142.07751	0.8
142.08641	9.1
142.09764	14.9
143.03401	100.0
143.08508	1.8
145.06529	0.6
160.04530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.99856	4.4
60.04519	2.4
66.01839	1.0
69.03423	2.0
70.99458	1.9
70.99862	4.2
75.77596	0.9
77.00895	4.7
81.04522	3.1
82.99841	1.1
85.02901	14.1
85.64590	0.9
89.00900	2.6
95.01940	1.4
97.02864	2.0
99.53471	1.1
100.02444	1.3
101.00876	25.1
102.00942	1.4
103.02506	1.0
119.01915	100.0
120.01990	7.3
124.02430	1.0
125.02385	2.7
126.05521	1.4
128.06204	1.0
137.02942	20.4
138.03061	1.1
142.03539	4.2
143.01947	3.8
143.03406	15.7
144.06541	4.1
161.02972	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03940	0.6
54.69989	0.1
57.49992	0.1
59.35607	0.1
61.68909	0.1
62.35854	0.1
65.03610	0.1
65.03937	1.4
66.04298	0.1
67.05506	1.4
67.34043	0.1
69.92470	0.5
70.74193	0.1
71.05004	0.1
78.03450	0.6
79.04237	0.3
80.05042	0.1
81.03408	0.1
82.06569	0.1
92.05001	5.2
93.05302	0.2
93.05788	0.9
94.06564	22.6
95.06873	0.7
96.04488	3.4
101.19245	0.1
108.95113	0.1
110.06037	17.3
111.06369	0.5
120.04414	0.1
124.07700	0.1
133.01633	0.2
133.03461	0.2
136.03958	0.1
138.05493	100.0
139.05840	3.8
154.04994	0.7
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
53.70921	0.8
56.96565	38.2
58.21551	0.9
70.21473	3.4
70.21886	1.7
71.95261	7.8
81.03420	1.1
98.97580	100.0
99.97939	1.8
101.03900	0.8
115.05430	0.8
116.98617	77.6
117.98929	1.4
134.99652	37.0
140.00211	2.6
153.00740	5.5
158.01205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03946	1.6
55.01883	0.9
57.07073	0.7
58.92698	0.4
61.24163	0.4
65.03928	2.4
66.04719	6.0
67.05501	2.9
69.07065	0.7
70.59511	2.1
77.03935	1.0
79.05489	5.3
81.07054	7.4
91.05475	14.6
92.05050	0.6
92.05833	0.8
93.03441	0.5
93.07054	1.0
94.04182	48.1
95.04458	1.0
95.04977	1.8
95.08604	8.6
97.06390	1.1
101.23016	0.5
103.62288	0.7
105.03397	0.7
107.04957	1.7
109.06511	1.3
110.06057	0.6
119.04926	3.3
120.21293	0.5
122.03641	66.8
123.03957	2.9
124.24621	0.5
135.04367	0.8
137.05965	100.0
137.13217	0.7
138.05455	1.8
138.06354	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03936	2.0
55.05511	7.7
57.07077	15.9
65.03932	2.2
66.04736	0.7
67.05506	29.6
68.05824	1.0
69.01482	0.6
69.06785	0.6
69.07072	6.8
71.09251	1.5
77.49682	0.6
79.05491	8.9
81.03389	0.6
81.07057	57.8
82.07387	2.0
91.05489	6.9
93.07048	7.8
94.04198	4.2
95.04961	2.5
95.08607	100.0
96.04478	0.7
96.08940	5.1
107.08585	1.7
108.09401	1.4
109.06500	1.5
109.10158	8.7
110.06055	1.9
119.04971	1.3
120.04482	1.1
122.03635	3.2
137.02486	2.8
137.03510	0.6
137.05933	7.8
137.09624	1.3
137.13258	10.6
137.14230	0.9
138.05511	4.0
138.06429	0.9
138.13567	1.1
143.40942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03926	1.4
54.39262	0.5
55.03848	0.6
55.05503	6.1
56.22481	0.6
57.07071	8.9
65.03933	0.7
67.05500	27.6
68.05830	0.8
69.07057	7.8
69.86356	3.5
69.91413	0.6
73.66077	0.5
74.04700	0.6
79.05481	8.5
81.07051	70.0
82.07387	1.9
89.24055	0.6
91.05497	3.1
93.07034	6.9
95.04977	1.4
95.08599	100.0
96.08932	4.2
99.98141	0.6
107.08607	1.2
108.09376	0.8
109.10152	6.0
122.03635	0.8
135.11620	0.8
137.02472	0.6
137.05980	1.9
137.09612	1.1
137.13237	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.89254	0.8
53.03931	3.8
53.05190	0.9
55.01856	0.9
55.05512	1.4
57.07073	1.4
58.13796	0.8
65.03922	3.4
66.04707	8.5
67.05504	11.3
69.03431	2.0
69.07064	1.0
71.64613	1.4
77.03878	1.2
79.05490	9.6
81.03405	1.8
81.06645	1.3
81.07059	18.7
86.63209	0.9
91.04955	1.4
91.05481	17.8
93.07025	2.6
94.04179	55.9
95.04990	8.3
95.08603	16.6
96.04472	1.4
98.78259	0.9
107.04942	2.4
109.06514	5.2
109.10142	3.0
110.06003	2.7
119.04924	3.1
122.03645	72.8
122.07278	2.1
123.03971	2.7
137.02512	6.6
137.05959	100.0
137.09595	5.4
137.13275	1.5
138.01740	2.6
138.05469	8.8
138.06364	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	0.5
53.03950	1.8
55.01867	1.0
55.05505	0.5
57.07065	0.6
65.03935	3.1
66.04723	8.1
67.05503	4.1
69.03424	0.4
70.67200	1.1
71.92943	0.3
77.03903	0.8
79.05489	6.6
81.03416	0.8
81.04536	0.5
81.07051	5.2
86.48112	0.3
91.05476	17.4
91.80296	0.3
92.05795	0.6
93.07026	1.1
94.04182	51.7
95.04498	1.0
95.05027	2.2
95.06075	0.3
95.08598	4.3
96.04488	0.3
96.05623	0.7
97.06385	0.9
105.03377	1.0
105.04507	0.5
107.04942	3.4
109.06509	1.4
109.10157	2.3
110.06035	0.6
110.07158	1.2
118.50133	0.3
118.53123	0.3
119.04955	3.1
119.08584	1.1
120.04463	0.4
121.06502	0.7
122.03643	66.6
122.07269	6.1
123.03975	2.2
123.07653	0.4
135.04381	0.6
135.08076	0.4
137.02437	1.1
137.05968	100.0
137.09579	5.7
138.05447	1.6
138.06328	4.5
138.10165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.6
53.03943	1.2
55.01876	0.6
57.51477	0.3
65.03937	2.1
66.04723	7.3
67.05499	1.1
71.36024	0.6
71.36379	0.3
74.28991	0.3
77.03931	1.0
79.05493	4.3
81.03423	0.4
81.07063	3.2
83.48986	0.3
91.05483	4.3
94.04185	56.1
94.14262	0.3
95.04435	1.5
95.05072	1.5
95.08608	1.4
105.03390	0.8
105.04498	0.4
107.04959	2.6
109.06517	0.8
109.10184	0.3
119.04943	0.3
122.03646	72.8
123.03978	3.0
131.45093	0.3
135.04414	0.8
137.05975	100.0
138.05385	0.4
138.06328	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.9
53.03938	1.4
55.01864	1.0
57.07067	0.5
60.03482	0.4
61.06190	0.5
65.03936	2.6
66.04717	7.4
67.05502	1.2
69.55258	1.0
69.55679	2.7
70.02129	0.4
77.03923	0.8
79.05494	7.1
81.07056	3.6
81.30349	0.5
91.05473	5.9
93.07028	0.4
94.04182	54.2
95.04499	1.6
95.05037	2.1
95.08595	2.0
105.03382	0.9
105.04417	0.4
106.76366	0.4
107.04942	3.0
109.06503	1.9
122.03642	71.1
123.03959	3.1
135.04405	1.1
137.05971	100.0
138.05382	0.6
138.06328	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01586	0.3
51.02382	0.3
53.03938	2.4
55.01864	1.0
55.05506	0.6
57.07072	0.4
65.03932	2.6
66.04720	8.0
67.05496	3.9
67.31941	0.3
69.03400	0.6
69.07045	0.6
70.01106	1.8
77.03930	1.0
79.05488	6.9
80.05793	0.4
81.03409	0.5
81.07051	8.1
91.05476	9.5
93.07047	1.5
94.04181	57.5
95.04440	1.5
95.05017	3.0
95.08598	5.8
96.04475	0.6
105.03381	1.0
105.04485	0.5
107.04951	3.1
109.06509	2.9
109.10161	0.9
110.06092	0.6
115.18807	0.3
119.04924	0.7
119.08524	0.4
120.04472	0.4
122.03640	73.7
122.07240	0.9
123.03972	3.4
135.04399	0.6
137.02542	1.6
137.05965	100.0
137.09489	1.6
138.01714	0.6
138.05443	1.9
138.06326	5.3
138.09149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
56.12214	0.2
67.02976	0.6
67.40859	0.2
67.67600	0.2
69.95665	1.3
69.96019	0.3
81.03399	0.3
81.76233	0.2
82.04048	0.3
91.05490	0.3
92.02477	0.9
94.04050	5.2
96.29449	0.2
98.21484	0.4
109.05124	1.0
112.05070	0.4
119.03545	16.0
136.06177	100.0
136.86426	0.2
137.04584	8.9
137.06613	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	1.3
53.00298	0.6
53.03932	3.0
55.01865	1.3
55.05500	3.2
57.07076	5.3
65.03940	3.9
66.04722	6.4
67.05505	15.3
69.03416	1.2
69.07060	3.3
69.99035	3.4
77.03886	1.0
79.05493	9.6
81.03405	1.2
81.07056	35.3
91.05480	15.7
93.07017	3.5
94.04185	52.3
95.05009	3.4
95.08607	45.0
96.08951	1.0
105.03363	1.1
107.04936	2.8
109.06504	2.6
109.10163	4.6
110.06033	1.3
119.04964	2.8
119.08548	1.1
120.04463	1.2
122.03650	67.4
122.07278	2.2
123.03988	2.1
134.79715	0.7
135.04402	0.8
137.02541	3.4
137.05974	100.0
137.09615	3.9
137.13213	3.4
138.05486	2.8
138.06444	3.6
138.09123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.85747	0.8
53.03942	6.0
55.05506	10.6
65.03931	2.8
67.05499	2.1
69.07059	2.8
70.94186	1.9
70.94527	1.0
77.03925	1.5
78.24087	0.7
79.05494	17.4
81.07044	4.3
91.05473	51.9
92.05763	1.1
93.07038	53.1
95.04979	8.2
98.21304	1.0
99.88561	0.8
103.05472	1.9
105.04522	2.4
105.07024	25.2
107.08587	100.0
108.08926	4.5
109.06512	8.2
113.64106	0.8
116.48475	0.8
117.06992	1.4
119.06061	4.3
119.08592	9.5
120.09344	3.8
133.10132	1.2
135.04466	0.9
135.11679	17.1
136.02153	3.4
136.06195	3.1
148.01877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	1.8
53.03944	13.4
55.01862	2.1
55.05510	7.5
57.07053	1.4
65.03931	3.5
67.05512	5.6
68.05044	1.4
69.07069	3.0
69.72921	1.0
70.60406	2.3
70.60783	1.7
77.03915	2.6
79.05494	31.5
80.04995	1.2
81.03390	1.7
81.07075	5.1
89.03912	4.3
91.05477	62.0
92.02598	4.1
92.05795	1.7
93.07042	56.8
95.04967	22.7
95.06147	1.7
96.06872	2.6
103.05486	2.5
105.03426	1.3
105.04528	5.7
105.07030	24.8
107.04960	6.4
107.08591	100.0
108.08949	3.6
109.01093	2.5
109.06530	9.2
109.07600	1.2
115.05434	2.5
117.07020	4.1
119.03539	3.3
119.06065	4.5
119.08574	20.2
120.09394	5.8
133.10181	1.1
135.04419	21.7
135.05418	2.1
135.08061	8.2
135.11690	33.3
136.02165	26.9
136.03113	2.1
136.03896	1.9
136.05121	2.3
136.06178	38.2
136.08659	3.0
136.12044	2.0
137.04610	2.9
149.13510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.0
58.06602	7.4
58.99858	2.8
73.08930	4.2
77.00909	1.7
81.07036	0.9
91.05472	2.1
93.07032	1.1
94.06575	1.2
94.99864	0.8
95.01969	0.6
95.04944	0.6
95.08572	1.2
95.99974	0.5
98.97594	1.4
100.02473	1.1
103.02440	2.3
109.01115	1.7
109.06487	0.8
113.00868	8.7
114.01050	0.6
116.98621	1.2
118.08659	1.1
119.01938	2.4
120.01903	0.6
121.03471	1.5
131.01909	100.0
132.02000	6.6
133.02435	0.6
134.99637	0.6
136.02168	14.9
136.03807	0.7
136.05249	0.5
136.06180	2.8
136.07532	1.5
136.09685	1.0
137.02762	0.8
137.06059	0.5
145.03455	0.8
149.02963	38.9
150.03064	2.7
154.03497	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02356	1.0
53.03943	5.2
55.01870	1.0
55.05510	11.7
61.33335	0.6
65.03945	3.3
67.05503	4.9
69.07065	4.4
70.76580	1.9
77.03941	1.0
79.05488	30.4
80.05804	1.2
81.03419	1.0
81.07050	6.0
84.72720	0.7
89.03930	1.6
91.05474	41.3
92.05804	0.8
92.20222	0.6
93.07039	63.7
94.04063	0.9
94.07346	1.8
94.07869	0.9
94.68084	0.8
95.04972	9.4
95.06071	0.6
96.06823	1.0
103.05490	1.1
105.04527	2.0
105.07022	18.0
107.04958	5.1
107.08586	100.0
108.08880	3.5
109.01115	0.6
109.06525	6.6
115.05467	1.7
117.07033	2.0
119.03545	1.4
119.06063	3.4
119.08566	7.1
120.09346	2.7
127.64599	0.9
133.10100	0.9
135.04428	5.9
135.08096	4.5
135.10664	1.2
135.11684	20.6
136.02168	12.0
136.05147	1.6
136.06177	16.2
136.07607	1.4
136.08673	1.0
136.12064	0.9
137.04549	1.4
152.70406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	7.8
55.05508	13.5
57.07074	1.6
65.03938	2.1
67.05496	3.1
69.07056	3.4
70.99162	3.0
77.03909	1.6
79.05489	25.1
81.07049	3.5
91.05477	56.8
92.05772	2.0
93.07043	55.5
93.88136	1.2
95.04967	10.1
104.06246	1.2
105.04491	2.9
105.06368	1.9
105.07027	25.4
106.07851	1.5
107.04928	1.5
107.08590	100.0
108.08935	4.0
109.05944	1.1
109.06535	9.9
115.05454	1.4
117.07008	4.7
119.06069	2.0
119.08565	12.7
120.09354	4.7
133.10118	2.2
135.04404	2.1
135.08020	2.3
135.11688	28.8
135.12689	1.6
136.02153	9.7
136.06171	10.8
136.12044	2.0
137.09685	1.4
137.84541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	8.8
55.01865	1.5
55.05511	18.9
57.07070	0.8
57.78733	0.8
65.03937	2.5
67.05507	21.0
68.50197	0.8
69.07067	8.5
71.37273	1.1
71.37606	1.6
77.03918	2.2
79.05496	67.4
80.05828	1.6
81.03415	1.5
81.07062	24.4
82.07395	0.9
89.03848	0.8
91.05485	42.7
92.05787	1.3
93.07046	100.0
94.07365	2.5
94.07883	1.6
94.62994	0.8
95.04378	0.9
95.04976	13.1
95.08574	1.2
105.04504	1.9
105.07040	13.7
107.04948	2.4
107.08598	88.4
108.08919	3.3
109.01093	0.9
109.06519	6.0
117.07062	1.3
119.03548	1.6
119.06047	1.6
119.08585	7.3
120.09354	2.2
133.10152	1.1
135.04424	3.5
135.08125	1.9
135.11700	48.1
136.02179	11.5
136.06189	13.0
136.07286	1.3
136.07561	1.0
136.12059	2.2
137.04623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	7.8
55.01849	1.4
55.05511	8.5
57.07065	1.2
57.20257	0.9
59.29510	0.8
65.03930	3.2
67.05493	2.6
68.05016	2.4
69.07060	2.6
77.03921	1.5
79.05489	26.9
81.07053	3.2
87.05553	1.1
89.03909	1.5
91.05475	69.6
92.05799	2.2
93.07037	48.9
94.07331	1.2
94.07860	1.4
95.04964	10.7
95.06021	0.9
95.08624	1.2
96.06844	1.1
102.68745	1.0
103.05484	2.0
104.06232	1.4
105.04507	1.8
105.07027	34.4
106.07854	1.7
107.04945	2.7
107.08588	100.0
108.08212	1.1
108.08911	4.0
109.01105	1.1
109.06519	10.2
109.07624	1.3
111.63598	0.8
115.05421	2.4
117.07011	3.4
119.03555	1.5
119.06092	4.0
119.07777	1.6
119.08571	21.3
120.09386	7.0
131.76872	0.8
133.10114	1.5
135.04404	3.8
135.05441	0.8
135.08066	8.0
135.11688	25.0
136.02159	13.7
136.03850	1.0
136.05128	1.8
136.06171	24.0
136.07388	1.1
136.07643	1.0
136.08582	1.7
136.09705	1.0
136.11118	1.0
136.12064	1.4
137.04521	1.0
137.09593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32981	0.9
51.02374	1.1
51.33411	1.1
53.03947	9.5
54.47305	0.8
55.05262	1.3
55.05511	16.9
57.07052	1.0
65.03938	3.3
67.05171	1.6
67.05505	19.9
69.07063	8.1
71.52887	2.0
71.53276	1.9
79.05491	68.4
80.05824	1.4
81.03401	1.3
81.07052	21.4
91.05482	41.4
92.02590	1.1
92.05792	1.1
93.07043	100.0
94.07362	2.9
94.07877	1.6
95.04967	13.5
105.04523	3.1
105.07028	15.5
105.29276	1.0
107.04955	3.1
107.08592	87.8
108.08916	2.8
109.01102	2.1
109.06518	5.3
112.03916	1.5
115.05450	1.1
117.07016	1.6
119.03571	2.8
119.06062	1.4
119.08553	8.5
120.09369	2.2
133.10136	2.8
135.04440	5.0
135.05386	1.1
135.08061	3.4
135.11693	47.1
136.02162	25.1
136.03865	1.5
136.05209	1.7
136.06181	25.7
136.12009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02372	1.7
53.03945	16.1
55.01867	0.9
55.05262	0.8
55.05512	11.8
55.30669	0.7
57.07074	1.1
61.63194	0.7
65.03951	3.4
67.05499	3.6
68.05006	1.5
69.07070	4.9
70.22888	1.9
70.23280	1.5
77.03915	2.4
79.05492	28.8
80.34643	0.7
81.03423	1.2
81.07058	5.9
82.07386	0.8
89.03896	2.4
89.47999	0.6
91.05479	55.0
92.02615	6.1
92.05795	2.3
93.07042	65.7
94.04037	1.3
94.07315	1.4
95.04967	24.3
95.08595	1.0
96.06927	0.7
98.21413	1.2
103.05453	0.9
105.04517	6.0
105.07031	25.1
106.07856	1.3
107.04963	4.1
107.08592	100.0
108.08923	4.0
109.06518	8.4
115.05491	2.0
117.03381	1.2
117.07021	2.6
119.03551	1.7
119.06068	4.3
119.08585	9.3
120.09415	4.4
133.10110	1.8
135.04414	26.6
135.08080	3.9
135.11685	42.1
136.02155	12.7
136.05092	1.5
136.06184	20.0
136.07622	1.4
136.08629	1.6
136.12024	2.5
137.04553	1.4
138.03102	0.9
149.18004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01848	1.6
55.05508	13.2
65.03929	3.1
67.05492	3.5
69.07066	4.0
70.33635	4.9
74.20330	0.9
79.05486	25.3
81.07058	4.2
89.03922	2.0
91.05471	57.9
92.05787	1.8
93.07035	57.5
94.07327	1.5
94.07854	1.3
95.04962	11.2
95.08572	1.5
105.04509	3.3
105.07019	26.1
107.04947	4.2
107.08585	100.0
108.08919	4.4
109.01118	1.7
109.06507	10.0
112.42458	1.1
115.05507	1.4
117.06998	2.6
119.03558	2.5
119.06062	3.3
119.08572	10.3
120.09344	3.7
133.10121	1.9
135.04395	5.4
135.08081	1.8
135.11678	26.2
135.12708	1.8
136.02130	14.3
136.06183	19.0
137.04576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	6.4
55.05514	12.0
56.15269	0.9
57.07072	1.8
58.07883	0.8
62.60940	0.8
64.28237	1.0
65.03928	2.6
67.05506	3.0
69.07063	3.5
70.86356	2.1
75.88020	0.7
77.03946	1.1
78.49738	0.8
79.05060	1.2
79.05494	17.9
81.07055	3.6
91.05482	51.7
92.05791	2.0
93.07042	56.5
94.07360	1.9
94.07912	1.0
94.08576	0.8
95.04964	9.9
95.08600	1.3
103.05440	1.2
105.04521	2.4
105.07032	26.4
107.04934	1.9
107.08595	100.0
108.08937	4.0
109.06512	11.1
115.05437	1.3
117.07027	2.0
119.06068	3.9
119.08579	11.8
120.09383	6.0
124.05201	0.9
133.10129	1.6
135.04439	1.3
135.08038	1.3
135.11694	26.5
135.12709	1.5
136.02158	2.6
136.06204	3.4
136.12012	1.5
137.65897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01595	1.3
51.02385	4.7
53.03948	37.6
54.04268	1.1
55.01865	3.2
55.05495	1.8
65.03946	0.7
65.73615	0.6
67.05481	1.6
68.05028	1.0
69.94060	3.0
74.29924	0.7
77.03916	6.5
79.05492	25.8
81.03419	3.5
81.07066	1.9
81.39616	0.7
89.03906	4.8
91.05476	12.4
92.02625	25.2
93.02977	0.9
93.07044	9.7
95.04971	61.1
96.05273	1.5
105.03419	5.3
105.04508	14.8
105.07046	4.9
107.04959	9.4
107.08594	18.7
108.08936	0.8
109.01104	1.3
109.06535	1.5
112.73931	0.6
115.05444	1.1
116.47890	0.7
117.03345	2.0
117.07047	0.9
118.06507	1.2
119.03555	0.9
119.06030	0.9
119.08575	1.5
119.60535	0.7
120.02089	2.4
135.04417	100.0
135.08040	5.3
135.11688	3.6
136.02171	16.4
136.04698	4.6
136.06190	20.9
136.07422	1.0
136.08505	0.9
137.04581	1.1
138.03101	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.05633	2.5
53.03936	9.5
55.01869	17.3
55.05495	7.3
60.64802	2.2
65.03937	11.0
67.05494	12.3
67.62007	2.4
68.14731	2.0
69.03430	15.6
69.07060	5.8
71.64314	2.7
79.05491	75.7
80.05029	3.2
80.05814	4.8
81.07036	8.1
91.05478	100.0
91.28710	2.1
92.05787	3.9
92.06305	2.4
93.07038	45.4
94.04048	4.0
95.04973	21.9
105.04516	3.8
105.07026	38.7
107.04957	15.6
107.08588	81.3
108.04488	2.5
108.08929	3.7
109.01091	7.7
109.06506	17.0
112.03944	5.0
115.05445	31.2
117.07025	24.5
118.06538	3.2
119.03562	5.2
119.06062	6.6
119.08597	4.4
124.05254	2.5
135.04396	16.4
135.05458	4.9
135.08060	37.9
135.11668	19.7
136.02161	95.0
136.03821	3.6
136.05161	5.7
136.06174	83.1
136.07475	6.1
136.08438	3.6
137.04559	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	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01588	0.7
51.02385	3.8
51.26889	0.5
53.03946	32.6
54.04267	0.9
55.01869	1.4
63.02369	0.8
65.03925	0.7
67.05461	0.5
70.33279	2.6
77.03924	8.6
79.05489	20.6
81.03417	3.2
81.05515	0.6
89.03913	19.9
90.04247	1.0
90.09296	0.5
91.05502	3.4
92.02623	23.8
92.28122	0.5
93.02946	1.0
93.07052	4.2
95.04966	58.3
96.05305	1.9
105.03410	5.0
105.04499	13.9
105.07023	1.7
106.04807	0.7
107.04950	6.2
107.08588	6.3
115.20222	0.5
117.03368	7.3
118.06544	1.0
119.08606	1.3
120.02087	1.3
125.69823	0.6
135.04413	100.0
135.11700	2.1
136.02153	1.2
136.04776	3.6
136.06152	2.6
138.03142	3.3
138.04054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05518	0.1
56.96565	1.5
57.03434	0.6
58.99868	0.5
61.50137	0.4
65.59809	0.1
68.00388	0.6
69.03416	0.3
69.91153	0.8
70.50604	0.9
73.02888	0.3
77.00900	1.0
77.50935	0.2
79.05492	0.6
79.51167	4.8
80.01206	1.2
80.51028	1.2
81.03407	0.2
81.07047	0.2
82.01450	0.7
85.02898	0.2
86.52675	0.4
86.89510	0.1
87.05595	0.2
88.02666	0.3
88.51695	49.4
89.01736	13.8
89.51556	12.9
89.97161	0.2
90.01588	0.9
91.01942	1.3
91.05506	0.2
92.01826	0.2
93.01933	0.2
93.07015	0.3
93.53481	0.3
95.02047	0.2
95.04957	0.2
95.52476	0.2
95.53209	0.2
97.52213	5.4
98.02248	1.3
98.52055	1.1
98.97622	0.8
99.97484	0.4
100.02480	12.0
100.52523	2.6
101.00888	0.5
101.02345	2.5
101.47949	0.5
101.52453	0.4
102.02390	0.5
102.47820	0.3
105.07068	0.2
106.02667	0.2
107.04972	0.3
107.06015	0.2
107.08597	0.3
107.98151	1.3
108.48196	0.3
108.98079	0.3
109.02962	0.4
110.48360	1.0
111.02914	0.6
111.05467	0.2
111.48363	0.5
111.53272	0.5
112.03281	0.2
112.53214	0.2
115.02474	0.2
115.05441	0.3
116.03129	0.2
116.98688	4.3
117.07028	0.2
117.48740	1.0
117.98555	1.1
118.03495	1.1
119.01915	2.3
119.03712	0.2
119.48940	4.4
119.49741	0.3
119.98951	1.3
120.02018	0.5
120.03304	0.3
120.48796	1.1
121.01657	0.9
121.99243	0.2
123.04195	0.2
124.02442	0.2
125.99221	23.4
126.49257	6.2
126.99090	6.8
127.49135	0.5
127.99216	0.2
128.06285	0.2
128.49487	23.4
128.99524	7.3
129.03940	0.2
129.06917	0.2
129.49355	7.4
129.99434	0.7
130.06270	0.4
130.99704	0.8
131.01897	0.5
131.49828	0.2
131.53166	0.2
131.99603	0.3
134.03645	0.2
134.05998	0.3
134.07187	0.3
134.99695	1.4
135.04376	0.5
135.49768	0.4
137.00792	0.4
137.02946	0.6
137.50009	100.0
138.00050	30.2
138.49878	36.4
138.99916	3.2
139.02702	0.2
139.49995	0.2
140.00266	4.9
140.01323	0.3
140.50345	1.8
141.00140	1.9
141.50133	0.2
142.03484	1.3
142.07771	0.5
142.26152	0.2
142.50586	0.2
143.03593	0.4
143.05585	0.2
143.08563	0.6
144.03252	0.3
144.50734	0.3
145.03363	0.2
146.50549	1.7
147.00551	0.5
147.05011	0.3
147.50412	0.6
149.00807	14.6
149.50858	4.0
150.00694	5.4
150.50735	0.6
151.51060	0.4
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
53.03944	4.4
53.30543	0.7
55.05508	4.1
58.05339	1.1
61.99249	0.7
62.52348	0.6
65.03928	1.3
67.05520	0.8
69.98608	1.3
69.99021	3.1
75.05587	0.9
77.03934	1.6
79.05486	13.3
89.04519	0.7
90.12298	0.7
91.05482	34.1
92.05782	0.9
92.06288	0.8
93.07051	4.9
95.04958	2.8
98.20848	1.0
103.05461	9.2
105.07026	100.0
106.06632	1.2
106.07360	4.0
107.08599	2.3
110.58089	0.7
113.03046	0.7
115.05457	9.0
116.06260	1.6
117.07024	11.1
118.07800	10.3
123.07964	1.1
131.08566	11.2
133.02849	1.6
133.06497	9.2
133.10124	88.9
134.06027	1.4
134.10461	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05518	0.1
56.96565	1.5
57.03434	0.6
58.99868	0.5
61.50137	0.4
65.59809	0.1
68.00388	0.6
69.03416	0.3
69.91153	0.8
70.50604	0.9
73.02888	0.3
77.00900	1.0
77.50935	0.2
79.05492	0.6
79.51167	4.8
80.01206	1.2
80.51028	1.2
81.03407	0.2
81.07047	0.2
82.01450	0.7
85.02898	0.2
86.52675	0.4
86.89510	0.1
87.05595	0.2
88.02666	0.3
88.51695	49.4
89.01736	13.8
89.51556	12.9
89.97161	0.2
90.01588	0.9
91.01942	1.3
91.05506	0.2
92.01826	0.2
93.01933	0.2
93.07015	0.3
93.53481	0.3
95.02047	0.2
95.04957	0.2
95.52476	0.2
95.53209	0.2
97.52213	5.4
98.02248	1.3
98.52055	1.1
98.97622	0.8
99.97484	0.4
100.02480	12.0
100.52523	2.6
101.00888	0.5
101.02345	2.5
101.47949	0.5
101.52453	0.4
102.02390	0.5
102.47820	0.3
105.07068	0.2
106.02667	0.2
107.04972	0.3
107.06015	0.2
107.08597	0.3
107.98151	1.3
108.48196	0.3
108.98079	0.3
109.02962	0.4
110.48360	1.0
111.02914	0.6
111.05467	0.2
111.48363	0.5
111.53272	0.5
112.03281	0.2
112.53214	0.2
115.02474	0.2
115.05441	0.3
116.03129	0.2
116.98688	4.3
117.07028	0.2
117.48740	1.0
117.98555	1.1
118.03495	1.1
119.01915	2.3
119.03712	0.2
119.48940	4.4
119.49741	0.3
119.98951	1.3
120.02018	0.5
120.03304	0.3
120.48796	1.1
121.01657	0.9
121.99243	0.2
123.04195	0.2
124.02442	0.2
125.99221	23.4
126.49257	6.2
126.99090	6.8
127.49135	0.5
127.99216	0.2
128.06285	0.2
128.49487	23.4
128.99524	7.3
129.03940	0.2
129.06917	0.2
129.49355	7.4
129.99434	0.7
130.06270	0.4
130.99704	0.8
131.01897	0.5
131.49828	0.2
131.53166	0.2
131.99603	0.3
134.03645	0.2
134.05998	0.3
134.07187	0.3
134.99695	1.4
135.04376	0.5
135.49768	0.4
137.00792	0.4
137.02946	0.6
137.50009	100.0
138.00050	30.2
138.49878	36.4
138.99916	3.2
139.02702	0.2
139.49995	0.2
140.00266	4.9
140.01323	0.3
140.50345	1.8
141.00140	1.9
141.50133	0.2
142.03484	1.3
142.07771	0.5
142.26152	0.2
142.50586	0.2
143.03593	0.4
143.05585	0.2
143.08563	0.6
144.03252	0.3
144.50734	0.3
145.03363	0.2
146.50549	1.7
147.00551	0.5
147.05011	0.3
147.50412	0.6
149.00807	14.6
149.50858	4.0
150.00694	5.4
150.50735	0.6
151.51060	0.4
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	Tetralin
Peak:m/z	Relative Intensity
51.02375	0.8
53.03942	2.9
55.01862	0.5
55.05500	3.3
55.44884	0.4
58.36535	0.4
65.03929	1.2
67.05510	0.7
69.91998	2.8
71.04958	0.7
77.03927	1.6
79.05486	10.8
91.05474	28.0
92.05809	1.3
93.07034	5.4
95.04980	3.5
103.05467	6.4
105.03403	0.8
105.07023	100.0
106.07349	4.3
107.08581	1.5
115.05445	6.9
116.06223	1.5
117.07009	8.0
118.07807	8.5
128.82390	0.4
129.07037	0.5
131.08559	9.4
132.08902	0.6
133.02890	1.0
133.06496	4.7
133.10121	74.6
134.06007	0.8
134.06982	0.6
134.10461	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02368	0.7
53.03952	3.5
54.35740	0.5
55.01879	0.6
55.05513	4.3
58.86998	0.5
60.62637	0.5
63.73086	0.5
65.03934	0.9
66.04726	0.7
67.05500	1.0
69.34210	0.7
69.34617	5.5
71.04980	0.6
77.03934	1.5
78.04702	0.5
78.72445	0.5
79.05489	13.1
81.04579	0.5
90.04675	0.5
91.05476	30.7
92.05793	0.7
92.06304	0.6
93.07040	6.0
95.04955	3.2
103.05469	7.4
105.03384	1.4
105.07025	100.0
106.07338	4.5
107.08578	1.5
115.05457	7.5
116.06262	1.4
117.07016	10.8
118.04154	2.2
118.07808	8.3
123.07899	0.6
126.94506	0.5
129.06989	1.4
131.08563	9.1
133.02873	1.4
133.06488	12.3
133.10124	85.5
134.03664	1.0
134.06015	0.9
134.06963	1.5
134.10445	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02373	0.4
53.03952	2.4
53.66402	0.5
55.05511	3.7
60.83602	0.4
65.03928	0.8
67.05500	0.8
67.48852	0.4
70.92960	0.4
70.99475	1.0
75.62936	0.4
77.03927	0.9
79.05495	7.9
91.05480	32.0
92.05814	1.3
93.07046	4.7
95.04950	2.2
103.05466	4.7
105.03404	1.3
105.07028	100.0
106.07349	5.2
107.08590	0.7
112.02230	0.6
115.05457	5.3
115.32590	0.4
116.06266	0.9
117.07005	3.5
118.04163	0.5
118.07818	5.6
123.07926	0.6
129.07030	0.6
131.08554	9.1
132.08910	0.4
133.02870	1.3
133.06519	5.1
133.10126	45.8
134.06029	0.5
134.07053	0.9
134.10468	3.2
143.24199	0.4
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
51.02372	0.7
53.03942	3.1
55.01859	1.1
55.05509	4.0
59.56016	0.4
65.03925	1.4
67.05499	1.5
71.04994	0.9
74.02443	0.7
77.03929	1.3
79.05053	0.9
79.05492	12.5
80.05805	0.5
81.03388	0.6
91.05476	30.1
92.05801	1.8
92.06317	0.6
93.07041	6.4
95.04965	4.9
103.05463	7.5
105.03392	1.7
105.07027	100.0
106.06626	0.9
106.07368	4.4
107.08563	0.9
108.81048	0.5
115.05442	6.9
116.06248	1.0
117.07020	6.5
118.04163	1.5
118.07808	6.4
123.07928	1.1
123.93974	0.4
129.07045	0.6
131.08562	9.6
132.08919	0.5
133.02859	1.3
133.06514	11.1
133.07477	0.9
133.10126	50.2
134.06007	2.5
134.07008	1.1
134.09587	0.6
134.10460	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.90293	0.5
53.03938	2.7
55.05506	2.9
55.71295	0.4
65.03932	1.1
66.42616	0.4
66.72441	0.5
67.05498	0.6
71.04981	0.9
71.64226	0.5
71.64602	0.5
77.03915	0.8
78.82629	0.4
79.05493	8.3
91.05479	20.3
92.05817	1.5
93.07044	8.1
95.04971	2.2
100.46949	0.5
103.05472	5.2
103.84032	0.5
105.03394	1.1
105.07027	100.0
106.06610	0.7
106.07347	4.9
107.08583	0.7
111.04427	0.6
115.05454	4.1
116.06232	1.0
117.07037	5.3
118.07806	4.6
129.07045	0.6
131.08568	5.4
133.02873	0.7
133.06516	5.6
133.07483	0.8
133.10124	34.6
134.05997	1.6
134.09605	0.7
134.10471	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.3
53.56452	0.4
55.05502	3.2
61.60313	0.3
65.03925	0.6
66.10665	0.4
67.05502	0.7
70.26016	0.4
70.42299	0.8
70.42689	0.9
79.05479	7.4
89.03914	0.5
91.05473	29.5
92.05794	1.2
93.07032	4.3
95.04974	1.8
103.05458	4.3
105.07021	100.0
106.07350	4.0
115.05455	3.8
116.06268	0.6
117.06999	4.8
118.04149	0.5
118.07798	5.0
129.07153	0.4
131.08562	8.6
133.06493	3.0
133.10118	38.4
134.10437	2.5
140.66272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02388	0.5
53.03951	3.8
55.01853	0.8
55.05512	5.0
65.03945	1.3
67.05496	1.3
67.32098	0.5
67.64241	0.5
67.66447	0.5
70.95640	0.5
71.04980	1.0
77.03909	0.7
79.05495	12.1
91.05481	38.2
92.05811	1.8
92.06315	0.6
93.07037	4.3
95.04979	3.5
95.87109	0.5
103.05466	7.0
104.06283	0.7
105.03398	1.3
105.07029	100.0
106.06584	1.4
106.07367	5.0
107.08576	0.8
112.02193	1.2
115.05455	3.9
117.07007	4.4
118.04148	1.3
118.07844	4.6
123.07943	1.7
127.77674	0.4
129.07008	0.5
131.08575	7.8
133.02823	1.3
133.06503	12.8
133.07509	0.9
133.10127	41.4
133.72055	0.4
134.05992	2.7
134.07072	2.1
134.09592	0.7
134.10452	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77501	0.9
53.03949	5.2
55.01863	2.5
55.05511	1.5
59.65699	0.9
62.14872	0.9
65.03934	3.1
66.04733	6.6
71.24801	1.9
77.03899	1.2
78.04695	0.9
79.05494	28.3
80.05837	1.4
84.77000	1.0
89.03915	1.4
90.04702	8.5
91.05489	16.1
92.02624	1.3
92.05772	1.0
93.07051	1.7
95.04974	8.4
102.04713	1.2
103.05473	22.3
104.05782	1.3
105.03430	1.5
105.04525	1.7
105.07033	100.0
106.06667	0.9
106.07319	4.9
106.41528	0.8
111.04436	1.1
115.05473	5.8
117.07011	2.5
118.04161	32.3
118.07785	2.3
119.05040	1.4
123.07938	1.1
124.42624	0.9
131.04942	1.1
131.08569	3.2
133.06496	59.3
133.10124	18.2
134.05948	1.8
134.06926	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02386	1.6
53.03938	7.6
55.01868	4.9
64.50500	1.0
65.03925	4.7
66.04722	6.5
79.05486	40.5
80.05801	1.9
89.03912	2.8
90.04698	14.8
91.05482	8.5
93.07022	1.0
95.04946	9.3
98.21614	2.1
102.04685	1.1
103.05466	30.9
103.69933	1.0
105.04541	2.0
105.07024	100.0
106.07351	5.2
111.04414	3.1
115.05461	3.7
117.07021	1.2
118.04152	41.2
118.07710	1.1
119.04340	1.1
119.05008	1.8
131.08583	1.4
133.06485	72.7
133.10115	7.0
134.05968	1.7
134.06882	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03949	4.8
55.01867	4.9
55.05500	1.2
65.03940	1.4
66.04707	3.0
67.14030	0.9
69.38918	8.5
72.56631	0.9
77.03902	2.0
78.04707	1.1
79.05042	1.5
79.05495	21.9
89.03905	1.5
90.04683	4.4
91.05478	11.6
93.07015	1.7
95.04975	4.5
103.05470	18.9
105.03401	2.1
105.04530	2.3
105.07029	100.0
106.07355	4.9
107.04943	1.3
111.04457	1.3
112.02180	1.3
115.05448	5.7
117.07014	1.8
118.04167	18.9
118.07801	1.7
123.07912	1.5
131.04941	2.2
131.08560	3.1
133.02837	1.7
133.06490	72.6
133.10132	15.1
134.03624	1.8
134.05962	1.8
134.06874	4.0
134.10461	1.4
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
53.03924	1.4
56.23529	1.0
67.64688	1.0
70.03746	1.5
70.47132	0.8
71.10072	2.0
72.56258	0.9
85.04785	0.9
86.17503	1.0
86.69369	0.9
91.05475	100.0
92.05803	3.0
95.04951	1.5
101.49068	0.9
103.05466	20.2
104.04956	1.0
104.05775	1.5
113.07910	2.8
115.05445	9.0
116.06235	28.8
117.06512	1.6
128.06226	2.3
129.07005	15.3
130.07385	1.1
131.04933	5.5
131.08557	84.5
132.08031	1.8
132.08907	7.0
133.06497	1.5
139.10684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0444
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01576	0.3
51.02378	1.6
53.03941	8.7
55.01857	1.2
55.05507	0.3
55.23114	0.3
56.05025	0.4
56.96549	0.3
57.03428	1.1
57.04542	0.9
58.02948	0.3
58.05328	1.2
58.06593	0.9
59.06120	0.6
69.03418	0.5
69.07051	0.3
70.06581	0.2
71.04990	1.4
71.06113	0.4
71.17359	0.3
71.39307	0.6
72.04491	1.2
72.08142	1.0
72.93788	0.9
73.02917	0.3
74.06079	0.6
75.05592	1.6
76.03989	0.3
77.03919	2.8
78.03423	0.6
79.05466	1.0
81.03396	0.8
83.99266	0.3
84.04494	0.5
84.05621	0.3
85.04013	0.8
86.06074	0.8
86.09708	1.7
87.04461	0.4
87.05560	1.3
90.90372	0.4
90.94810	0.5
91.05486	3.5
92.05828	0.8
93.07019	0.5
95.04962	11.6
96.04487	3.0
103.05467	1.2
104.04987	21.8
104.05743	0.9
105.03400	2.8
105.04504	2.5
105.05295	0.8
105.07024	10.5
115.05415	0.5
117.05773	0.5
131.08566	0.7
132.04442	100.0
133.02895	1.4
133.04796	4.0
133.06464	2.2
133.07507	0.5
133.10120	3.4
143.02550	0.3
150.74583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	0.9
53.03945	4.9
55.01881	2.0
55.05508	2.4
57.03436	0.5
57.04571	0.3
58.05328	2.1
65.03926	0.9
66.04691	0.8
67.05495	0.7
69.03424	1.3
71.04990	2.2
71.21397	0.9
73.02908	0.4
74.06051	0.5
75.05582	1.3
77.03912	2.1
78.04714	0.7
79.05486	12.2
81.04532	0.4
85.04037	1.4
87.04440	0.5
88.02238	0.5
89.03897	0.7
90.04691	1.0
91.05476	21.3
92.05795	0.8
92.06309	0.4
93.07037	4.6
95.04963	3.8
97.02905	0.4
103.05461	8.3
105.03407	3.0
105.04544	1.0
105.07025	100.0
106.06556	1.4
106.07362	4.5
107.04951	0.7
107.06087	0.8
107.08567	0.8
109.06476	0.4
112.02193	0.4
115.05450	5.8
116.06295	0.4
117.06997	4.5
118.04156	4.5
118.07802	3.8
123.07976	0.7
131.04912	0.7
131.08556	6.3
132.08934	0.7
133.02846	1.9
133.06494	29.8
133.07497	1.1
133.10124	26.0
134.03645	0.7
134.06017	2.7
134.06815	2.8
134.10498	1.2
143.06111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
65.59344	0.7
67.43484	0.6
70.95570	1.6
70.95908	0.9
74.58611	0.6
79.05521	0.7
91.05477	100.0
92.05804	3.5
95.04967	1.4
102.25557	0.7
103.05457	6.8
105.07009	1.6
115.05444	10.4
116.06239	32.8
117.06594	1.4
128.06227	2.4
129.06998	17.8
130.07346	1.1
131.04930	3.0
131.08562	94.9
132.08894	5.2
133.06490	1.9
145.06563	0.8
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
52.08386	0.5
53.03940	1.7
65.03934	0.9
71.62076	0.5
71.62502	1.0
91.05479	100.0
92.05813	4.4
95.04957	0.9
97.62902	0.6
103.05476	8.1
104.05710	0.5
105.07041	1.2
115.05452	13.3
116.06245	34.5
116.50774	0.7
117.06579	1.8
128.06236	2.0
129.07005	19.1
130.07329	1.1
131.04926	4.1
131.08563	93.2
132.08028	0.8
132.08910	4.5
133.06502	1.2
143.06078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
56.16124	0.7
62.02751	0.7
63.34258	0.8
70.60236	2.5
84.21219	0.7
91.05476	100.0
91.60964	0.8
92.05781	4.4
102.99296	0.7
103.05453	6.2
105.07059	1.8
113.07941	0.7
115.05453	8.3
116.06241	26.6
128.06221	1.8
129.06990	17.3
130.07304	1.4
131.08562	86.0
132.08894	4.9
133.06480	1.5
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
53.03941	1.0
57.29397	0.5
65.03934	1.6
71.38845	0.7
71.39180	0.8
76.46797	0.5
91.05476	100.0
92.05817	3.9
103.05458	4.6
105.07023	1.8
115.05442	8.4
116.06232	28.7
117.06527	1.3
128.06223	2.2
129.07002	16.6
130.07306	1.5
130.50465	0.5
131.08560	91.2
132.08047	1.3
132.08907	6.5
133.06479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.58427	0.5
60.68863	0.6
65.03929	0.8
70.03737	0.7
71.00361	1.9
77.74844	0.5
84.04514	0.7
91.05477	100.0
92.05801	4.6
95.04976	1.4
102.35779	0.5
103.05465	12.5
104.05756	0.7
105.07040	2.3
113.07926	2.6
115.05452	10.7
116.06241	31.8
117.06543	1.0
128.06212	1.8
129.07004	15.6
130.07343	1.9
131.04916	6.6
131.08562	80.7
132.08116	1.1
132.08928	4.8
133.06480	1.4
143.06055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75264	0.2
51.02377	0.4
53.03707	0.3
53.03948	3.6
55.01865	0.2
56.05022	0.3
56.96561	0.4
57.03422	0.2
63.02378	0.2
69.03426	0.4
69.59650	1.3
70.03756	0.4
77.03918	0.7
81.03382	0.2
82.31324	0.2
83.06066	0.2
85.04833	0.5
85.08449	0.3
86.09698	0.2
88.97404	0.2
90.68670	0.2
91.05482	5.7
92.05811	0.2
95.04967	5.9
96.05272	0.3
98.04738	0.2
98.21473	0.4
99.71571	0.2
102.04691	1.3
103.05466	100.0
104.05023	0.5
104.05795	4.1
105.04504	1.4
113.07201	0.3
113.07932	0.9
115.05466	0.6
116.02310	0.2
116.06259	1.8
129.06993	0.8
131.04926	9.6
131.08560	4.4
132.04427	1.0
132.05286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	3.8
55.01870	0.3
63.77110	0.2
64.16206	0.2
70.03768	0.3
71.24920	0.4
72.04549	0.3
77.03928	0.7
81.03426	0.3
85.08476	0.3
86.09723	0.3
91.05479	5.5
95.04967	6.2
102.04664	1.3
103.05462	100.0
104.05069	0.4
104.05777	4.3
105.04484	1.4
113.07923	0.7
115.05457	0.4
116.06244	1.6
129.06996	0.9
131.04919	9.6
131.08557	3.3
132.04440	0.6
132.05299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
65.03927	0.9
71.17303	1.7
80.11956	0.6
85.08466	0.7
91.05476	100.0
92.05804	3.7
95.04945	0.8
103.05460	8.9
105.07025	1.7
111.01558	0.6
113.07916	0.7
115.05437	10.4
116.06237	31.3
117.06548	1.0
128.06235	1.9
129.07001	17.2
130.07304	0.8
131.04918	2.1
131.08559	73.9
132.08072	1.4
132.08907	5.0
133.06491	0.8
143.06047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03941	4.9
65.03922	1.5
70.03745	1.0
71.65092	1.0
81.11172	0.8
85.04827	1.2
91.05475	100.0
92.05811	3.8
95.04947	5.1
98.49902	0.8
102.04642	0.9
103.05461	50.9
104.05784	3.1
105.04551	1.4
105.07014	2.1
113.07919	2.3
115.05444	10.5
115.93262	0.8
116.06239	31.3
117.06527	1.2
128.06218	2.7
129.06993	17.5
129.07887	1.1
131.04942	11.2
131.08559	83.1
132.05254	0.8
132.08922	5.9
133.06526	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41131	0.6
60.08256	0.6
65.03931	1.6
66.44707	0.6
70.41021	1.3
70.41415	1.2
83.35709	0.7
86.83772	0.6
91.05476	100.0
92.05814	4.3
92.94975	0.7
103.05447	5.4
105.07036	1.0
113.07954	0.7
115.05450	7.4
115.53493	0.6
116.06243	26.2
117.06570	0.9
128.06218	2.1
129.07002	13.8
130.07373	1.4
131.08560	79.6
132.08064	1.5
132.08913	5.7
133.06494	1.2
143.06052	0.8
143.19962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74443	0.3
58.06581	0.4
71.64221	0.3
78.04691	0.9
82.06574	0.4
82.88549	0.3
89.36460	0.3
94.44857	0.3
98.42604	0.3
102.04675	2.5
103.05482	1.4
103.06048	0.3
103.33681	0.3
127.05422	1.7
128.06219	100.0
129.07050	15.2
140.16122	0.3
145.06473	4.0
148.31279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04288	0.5
54.93580	0.6
55.05507	1.7
57.02483	0.5
58.06603	3.4
58.51812	0.6
69.03410	1.2
71.04962	0.7
71.34031	0.5
71.54924	0.6
72.05297	0.7
72.31888	0.6
78.04700	1.1
82.03734	1.0
82.06581	4.9
83.04937	0.6
83.06100	0.8
83.08599	0.7
86.06075	4.7
97.02921	0.6
100.07616	1.3
102.04678	3.0
103.05444	1.1
104.75555	0.7
110.03214	1.7
110.06048	0.8
111.05585	0.7
111.09230	0.6
112.92320	0.5
127.05454	1.3
128.04283	5.0
128.06223	100.0
128.07018	4.8
128.14346	0.9
129.01840	3.9
129.05450	1.4
129.07030	20.9
145.06445	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	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23376	0.6
53.03931	2.3
55.01864	1.3
55.02979	0.9
55.05507	3.0
56.05035	5.4
56.45667	0.5
56.96560	2.9
57.03418	2.2
57.07076	33.1
58.06598	1.4
58.07402	1.0
59.06128	3.6
60.05646	1.2
67.05498	2.2
67.05835	0.6
69.03429	44.9
69.07068	4.6
70.03758	1.7
70.06591	8.1
70.20603	1.2
70.21003	1.5
71.04985	4.9
72.04511	3.4
72.08153	11.7
73.02915	0.7
73.04092	0.5
74.09717	21.5
77.54676	0.6
82.06584	3.2
83.02439	0.9
83.06077	0.7
84.04504	49.6
84.08143	38.5
85.02871	1.1
85.04015	0.7
85.04840	1.8
85.06511	0.9
85.07658	4.9
85.08484	1.6
86.06070	2.0
87.09224	2.3
88.07629	1.0
91.05486	16.9
94.06585	0.9
95.04955	2.9
97.06364	0.6
98.04796	1.3
98.97585	1.2
103.05470	42.1
104.05779	0.7
112.05075	2.4
112.07604	100.0
113.05907	0.9
113.07133	3.5
113.07943	5.0
115.05453	1.6
116.06233	5.4
116.98582	0.9
120.34422	0.6
129.07022	3.8
129.99612	0.7
130.02174	1.9
130.05103	3.4
130.06535	21.0
130.08641	20.7
130.09727	2.7
130.15919	39.1
131.04929	5.5
131.06860	2.0
131.08559	16.9
131.16277	1.9
134.99690	0.7
146.99643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
50.01601	1.0
51.02378	3.4
52.02698	0.3
53.00301	0.7
53.03948	2.2
54.03475	0.7
55.01867	2.4
55.05508	0.8
56.05036	2.7
56.96566	0.3
58.06597	0.8
59.05000	5.5
59.06123	5.6
61.45264	0.3
65.03934	1.0
66.03466	0.3
67.01853	0.4
68.04642	0.3
68.05025	8.7
68.99789	1.8
69.03426	100.0
69.07082	0.4
69.96667	1.4
70.02976	0.3
70.03761	1.8
70.06587	1.4
70.11299	0.3
71.01363	2.2
79.01852	35.1
79.05499	2.0
80.02190	1.0
80.05016	2.5
81.03412	0.3
81.04538	1.2
81.07074	0.6
82.02927	0.4
82.05318	0.6
82.06581	1.6
82.42099	0.3
83.01346	0.9
83.04966	1.0
83.06096	2.2
84.04497	1.0
84.06443	0.6
84.08120	0.6
85.07671	1.7
86.08450	1.7
87.04476	0.3
95.04985	0.6
95.06084	0.3
96.06882	0.8
97.02889	68.4
97.06530	0.8
97.07652	2.3
98.03220	1.7
98.06046	1.2
98.07153	0.3
98.21468	0.3
99.09233	0.5
102.01055	0.3
102.02224	0.5
107.01292	1.3
107.04906	0.3
107.06065	0.7
107.06819	0.3
107.08591	0.7
108.04483	1.0
109.07653	2.4
110.03640	0.3
111.04451	0.8
119.01882	0.3
120.01999	1.8
120.03244	0.5
121.01673	0.8
125.02346	12.0
125.04280	1.5
125.06007	1.5
125.07107	5.3
125.08015	0.7
125.08939	0.6
125.09723	0.7
125.10767	0.9
126.05527	1.4
126.10276	3.9
133.56038	0.3
138.03033	1.3
139.02737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39666	0.3
70.32004	0.8
70.32396	0.5
78.04702	1.2
94.68086	0.3
94.85831	0.3
102.04684	2.5
103.05462	0.4
104.62414	0.4
127.05411	0.8
128.06221	100.0
129.06952	5.1
134.09695	0.3
145.06485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59950	0.3
60.60135	0.3
71.13685	0.3
71.19784	0.3
71.21004	0.6
78.04704	1.2
78.82687	0.4
102.04687	2.7
103.05468	0.3
103.16110	0.3
127.05425	1.1
128.06218	100.0
129.06949	6.0
145.06458	1.2
147.87099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
63.67915	0.3
69.03410	0.3
71.28074	0.5
78.04703	1.4
79.18573	0.2
82.06577	0.9
86.06057	0.7
89.54101	0.2
100.07598	0.4
102.04693	2.5
103.05460	1.5
110.03281	0.2
110.06018	0.4
127.05438	1.1
128.06216	100.0
129.01834	0.6
129.07071	11.7
130.31953	0.3
145.06479	3.3
148.93866	0.3
149.68599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
68.83454	0.2
70.86026	0.6
70.86368	0.3
82.01432	0.4
82.99849	1.0
83.01509	0.3
100.02485	1.3
101.00873	17.8
101.02548	2.7
102.00989	1.1
102.02239	1.7
118.03510	0.8
119.01914	100.0
120.01993	5.5
120.03271	0.6
121.02366	0.4
137.02946	39.1
138.03033	2.7
142.03485	6.2
143.03645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86157	0.5
51.02380	0.6
53.00298	0.7
53.03946	5.4
54.03453	0.5
55.01860	1.1
55.05507	5.1
55.15267	0.5
57.07077	5.6
65.03931	2.4
65.13883	0.4
67.05502	19.9
68.05020	1.4
68.05837	0.6
69.07066	2.6
69.44910	4.6
77.03924	0.8
78.03427	0.9
79.05489	17.0
80.05016	13.8
80.05790	0.8
81.03408	0.6
81.07052	100.0
82.01429	0.6
82.07385	2.7
93.07027	3.4
94.07816	1.0
95.01303	0.5
95.04962	29.3
95.08601	17.2
96.04485	10.2
96.05274	1.2
96.08137	0.7
97.07596	0.4
100.02480	5.2
101.02565	0.5
105.04507	1.9
105.07022	1.5
106.02892	0.5
106.06538	1.0
108.05707	2.2
108.09386	0.9
112.03960	9.6
118.03517	5.5
119.01954	2.3
121.10153	1.6
123.04433	7.0
123.05547	25.3
123.08092	6.7
123.09017	0.8
123.11702	21.7
124.03951	26.9
124.05893	1.0
124.07587	2.5
124.08696	1.3
124.12013	1.1
137.02969	1.7
138.76756	0.5
140.03426	4.5
141.05037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03946	3.4
55.01886	0.5
55.05507	4.8
57.07072	5.3
65.03942	1.4
67.05500	15.7
68.05015	0.7
69.07066	2.9
77.03915	0.6
78.03437	0.7
79.05489	18.1
80.05017	10.0
80.05773	0.4
81.03413	0.8
81.07050	100.0
82.07382	3.0
90.60723	0.4
91.05454	0.5
93.07020	2.4
94.07825	0.6
95.04966	19.2
95.08598	14.4
96.04489	6.6
96.05231	0.8
96.08940	0.8
98.20734	1.3
100.02482	3.0
100.92850	0.4
101.02614	0.6
105.04482	0.9
105.07009	1.1
106.02893	0.8
106.06560	1.3
108.05724	1.5
108.09372	1.2
112.03959	5.9
114.40912	0.4
118.03534	2.9
119.01927	1.2
121.10129	1.1
123.04427	3.8
123.05537	16.0
123.08089	4.3
123.09004	0.6
123.11699	21.9
124.03951	15.4
124.04874	0.4
124.05920	0.8
124.07550	1.4
124.08501	0.5
124.12001	1.0
137.02937	1.2
140.03371	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
53.16206	0.3
55.05508	4.8
57.07075	4.8
65.03921	1.7
67.05504	15.4
67.05869	0.8
67.75622	0.3
68.05013	0.4
68.05808	0.4
69.07066	3.0
70.48196	1.3
79.05490	16.1
80.05016	6.5
80.05808	0.5
81.03394	0.4
81.07053	100.0
82.07378	2.7
90.57084	0.4
93.06130	0.4
93.07050	2.1
93.11731	0.3
94.07832	1.1
95.04964	12.1
95.08602	12.9
96.04491	4.8
96.08089	0.4
100.02483	2.0
103.30290	0.3
105.04503	0.7
105.07011	1.1
106.06545	2.2
108.05731	1.5
108.09389	1.2
109.05300	0.4
110.12844	0.4
112.03965	4.0
118.03505	2.2
119.01944	1.7
121.10142	1.2
123.04444	2.7
123.05548	10.8
123.06443	0.5
123.08081	3.8
123.11702	17.3
124.03947	12.2
124.05891	0.4
124.07581	1.7
124.12054	0.6
137.03000	1.1
140.03413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.00316	0.4
53.03946	4.9
53.17836	0.4
54.27806	0.4
55.01862	0.7
55.05509	4.7
56.12040	0.5
57.07071	4.6
65.03936	1.7
67.05503	16.1
68.05029	0.7
69.07059	3.1
70.60779	0.4
71.05737	0.9
71.06064	0.5
76.11529	0.5
77.03920	0.7
79.05492	16.9
80.05014	11.6
80.05786	0.7
81.03409	0.5
81.07053	100.0
82.07383	3.1
85.44520	0.5
93.07048	2.6
94.07821	0.5
95.04969	22.1
95.08601	16.8
96.04498	8.6
96.05270	0.9
96.08151	0.5
96.08939	0.5
100.02475	2.9
105.04489	1.2
105.07029	1.0
106.06539	2.9
108.05746	1.2
108.09357	1.0
112.03965	7.8
113.28120	0.5
118.03495	3.1
119.01929	1.5
121.10165	1.5
123.04442	5.0
123.05547	19.2
123.08074	4.4
123.09188	0.9
123.11701	21.1
124.03953	19.2
124.04714	0.4
124.04901	0.7
124.05898	0.6
124.07600	3.0
124.08427	0.6
124.12044	1.6
137.02954	1.0
140.03430	3.2
141.05072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02374	1.5
53.03947	9.3
54.03463	2.0
55.01863	2.1
55.05509	16.3
56.05032	3.4
56.05855	0.6
57.07071	4.7
58.06602	0.8
65.03934	4.5
66.03469	0.5
67.05505	65.5
68.05035	3.9
68.05840	1.8
69.03424	1.5
69.04556	1.3
69.05355	0.4
69.07076	3.4
69.36302	0.4
69.69354	2.4
69.69769	1.1
70.06573	1.6
77.03918	1.7
77.63789	0.4
78.03450	1.1
78.24435	0.4
79.05492	21.8
80.05016	18.2
80.05785	1.0
80.06266	1.4
80.67825	0.5
81.03430	3.2
81.04545	5.6
81.07055	100.0
82.01478	0.7
82.02979	0.6
82.05331	1.0
82.06580	1.0
82.07379	2.9
82.26130	0.5
83.04979	0.5
83.05628	0.9
83.06106	7.7
91.05470	3.0
93.07038	11.8
94.07867	1.0
95.04969	81.2
95.06046	2.0
95.08604	61.4
96.04497	12.3
96.05298	2.9
96.08143	2.7
96.08938	1.6
97.07667	4.6
100.02475	6.1
101.00861	0.9
103.05481	1.3
105.03383	0.6
105.04515	5.5
105.07024	6.8
105.46669	0.6
106.02965	0.7
106.06574	1.7
106.07294	0.7
107.05007	2.4
107.06070	5.2
108.05737	14.8
108.09389	0.8
109.06056	0.9
112.03967	8.2
118.03518	6.4
119.01929	4.2
119.03537	0.7
121.06525	2.2
121.10136	1.3
123.04453	16.1
123.05568	26.5
123.08095	34.0
123.09159	1.9
123.11699	22.2
124.03951	28.7
124.05914	1.0
124.07621	1.9
124.08714	12.3
124.12059	1.1
137.03001	2.9
140.03404	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76618	0.7
58.99858	0.9
68.01254	0.9
70.86732	2.2
77.00934	1.1
82.01439	10.6
89.56040	0.8
96.01296	0.8
100.02480	90.8
101.00877	9.8
101.02525	5.2
118.03521	62.7
119.01920	100.0
119.03649	3.3
121.02328	0.8
123.04030	3.5
136.04582	1.1
137.02954	56.5
141.05070	1.9
142.03499	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09863	0.7
58.99863	1.7
70.08685	1.9
70.09101	2.4
77.00890	1.2
81.13173	0.9
82.01437	20.2
82.99848	1.2
83.01498	1.0
95.04980	2.0
98.21500	0.9
100.02477	96.3
101.00879	16.2
101.02548	4.2
118.02271	1.2
118.02632	1.5
118.03516	58.1
119.01914	100.0
119.03650	3.3
123.04045	2.0
136.04559	1.4
137.02956	41.6
141.04999	1.9
142.03487	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.2
51.02382	4.4
52.03156	1.1
53.03716	1.6
53.03947	26.5
54.04270	0.9
55.01875	8.2
55.05494	1.2
65.03604	1.5
65.03940	27.9
66.04691	1.0
67.05119	1.3
67.05502	25.2
69.39639	7.6
69.40047	1.9
77.03928	6.4
79.05470	3.0
80.05016	10.6
80.05765	1.1
81.03403	4.0
81.07053	8.7
82.01456	1.0
91.05459	4.4
93.03416	1.1
94.04213	1.3
95.04969	100.0
95.08611	4.1
96.04494	7.2
96.05302	3.5
98.03645	2.5
100.02496	2.6
100.77863	1.3
105.03391	1.1
105.04506	13.4
106.06560	1.6
108.05735	6.3
109.02892	5.0
111.04440	1.6
112.03990	5.1
112.04640	0.9
115.92307	1.0
118.03506	2.2
119.01908	2.6
121.04004	1.8
123.04420	13.5
123.05541	18.2
123.08078	9.0
123.11692	1.8
124.03947	13.3
124.08537	1.0
137.02962	1.3
140.03383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02377	1.2
53.03942	13.7
54.03466	2.9
55.01881	3.7
55.05507	15.4
56.05032	7.7
57.07066	1.8
58.06593	0.9
65.03938	5.1
67.02966	0.9
67.05501	69.9
68.05029	7.9
68.05824	1.5
69.03416	2.6
69.04562	1.6
70.06593	3.8
71.22324	1.7
72.44952	0.8
73.99905	0.8
77.03933	3.4
78.03455	1.0
79.05490	27.5
80.05011	27.6
80.05772	1.3
80.06266	1.8
81.03434	3.9
81.04551	8.4
81.07053	70.9
82.01453	1.0
82.05325	1.9
82.06585	1.9
82.07412	1.8
83.06100	9.0
91.05478	3.7
93.07042	15.5
94.06606	1.1
95.04963	100.0
95.06088	3.8
95.08601	53.9
96.04499	18.6
96.05299	3.0
96.06383	1.0
96.08129	27.2
97.07653	6.6
100.02475	8.6
101.02559	1.2
102.96827	0.8
103.05512	1.5
105.03359	1.3
105.04498	4.9
105.07026	8.0
106.02914	1.9
106.06571	2.7
107.04989	1.1
107.06065	9.2
108.05727	6.9
108.07713	0.8
112.03962	10.5
118.03516	8.0
119.01926	6.3
121.06517	0.8
123.04455	24.9
123.05571	45.0
123.08086	59.2
123.09175	8.4
123.11674	6.4
124.03949	38.6
124.07590	2.2
124.08704	17.3
137.02994	3.5
140.03412	5.3
141.05107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.50518	0.4
51.02374	1.1
53.03943	11.6
54.03466	2.1
55.01872	2.7
55.05508	15.9
55.23688	0.4
56.05033	4.9
56.05841	0.7
57.07074	5.0
58.06587	0.5
61.54484	0.4
65.03934	5.1
67.05500	66.4
68.05020	4.4
68.05830	1.5
69.03424	1.8
69.04548	0.9
69.07056	3.0
69.70303	1.1
69.70721	2.6
70.06591	1.8
77.03932	2.2
78.03460	0.7
79.05486	22.1
80.05016	20.5
80.05776	0.8
80.06277	2.0
81.03429	2.0
81.04539	5.4
81.07051	100.0
82.01446	0.8
82.05347	1.4
82.06583	1.2
82.07365	2.7
83.06103	8.7
90.19868	0.5
91.05461	2.4
93.07035	12.9
93.07618	0.8
94.07838	1.2
95.04964	84.5
95.06137	1.9
95.08599	60.5
96.04498	13.4
96.05308	2.8
96.08136	4.2
96.08916	3.2
97.07653	4.5
100.02479	8.1
103.05467	1.2
105.03394	0.6
105.04499	4.5
105.07028	6.2
106.02938	1.0
106.06567	2.2
106.07346	0.9
107.04975	2.7
107.06066	5.9
108.05728	14.0
108.09421	0.8
109.06105	0.7
112.03954	9.2
112.04713	0.5
118.03520	6.4
119.01921	5.8
119.03667	0.6
121.06523	2.0
121.10120	1.2
122.02402	0.6
123.04459	17.3
123.05573	31.3
123.08097	35.2
123.09167	2.2
123.10792	1.0
123.11697	21.8
124.03947	32.9
124.05913	1.3
124.07627	2.8
124.08716	11.4
124.12036	0.9
137.02943	3.4
140.03421	4.5
142.03487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01598	0.7
51.02382	0.9
53.03942	9.5
54.15940	0.5
55.05506	7.7
55.32430	0.5
65.03953	0.8
67.05497	1.8
71.38322	1.2
71.38647	0.5
77.03934	1.6
79.05488	32.4
80.05830	0.9
80.06267	1.4
81.03408	1.4
81.07050	4.9
91.05475	39.1
92.05802	1.8
93.07037	100.0
94.07388	4.7
95.04962	14.7
97.81219	0.6
103.05465	7.1
103.70651	0.6
105.04506	3.5
105.07021	30.3
106.07886	3.0
110.86384	0.6
118.06479	0.6
119.08582	6.0
121.10133	23.3
122.10493	1.4
123.08057	3.0
133.07599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03944	11.0
55.01870	1.0
55.05507	8.4
56.94162	0.7
58.41176	0.7
65.03949	1.6
67.05500	2.1
70.60110	2.5
77.03927	2.1
79.05491	38.7
80.05833	1.6
80.06245	1.4
80.35674	0.6
81.03422	1.2
81.07062	5.2
91.05479	44.1
92.05794	1.5
93.07039	100.0
94.07377	3.0
95.04969	19.3
98.21371	0.9
103.05457	6.5
105.04508	4.7
105.07024	31.5
106.07847	4.3
119.08590	6.5
121.02865	1.0
121.06497	1.3
121.10133	23.5
122.05994	0.7
122.10465	1.1
123.08060	3.0
130.83141	0.8
133.07619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01580	0.5
51.02372	1.1
53.03943	11.6
55.01853	1.1
55.05508	7.6
65.03934	2.0
67.05500	2.5
69.46438	4.1
73.93027	0.4
77.03918	1.6
78.04700	0.8
78.63284	0.3
79.05489	35.4
79.67453	0.3
80.05843	0.7
80.06278	1.3
80.96465	0.3
81.03417	1.3
81.07059	5.4
83.00512	0.3
91.05476	44.7
92.05796	2.0
92.06300	0.4
93.07037	100.0
94.06580	0.6
94.07372	4.6
95.04966	18.8
96.05344	0.8
103.05465	7.8
104.05765	0.5
105.04530	4.9
105.07026	35.0
106.07200	0.6
106.07889	3.4
107.07333	0.6
112.03951	0.5
119.08591	5.5
121.02863	1.2
121.06517	3.9
121.10138	23.7
122.05982	0.8
122.09653	1.4
122.10484	1.1
123.08032	2.8
133.07611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.56701	0.9
51.02367	1.6
53.03944	14.8
55.01865	1.8
55.05507	9.6
65.03925	3.5
67.05502	3.2
70.74109	2.9
77.03926	1.5
78.04724	1.2
78.08334	1.1
79.05492	55.1
80.05828	2.0
80.06259	2.1
81.04520	1.5
81.07072	5.0
91.05479	53.7
92.05795	2.6
93.07042	100.0
94.06546	1.3
94.07379	2.9
95.04967	21.8
100.00615	1.1
103.05472	16.8
105.04523	6.3
105.07030	68.3
106.07880	5.8
112.04009	1.7
119.08575	10.8
121.02857	2.2
121.06519	11.0
121.09312	1.4
121.10136	38.7
122.06042	1.6
122.07116	4.6
122.09637	2.3
122.10453	2.4
123.08071	8.2
133.07616	2.8
136.37814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03705	0.7
53.03942	9.6
53.87381	0.4
54.55733	0.5
55.01863	0.7
55.05508	8.7
64.26788	0.4
65.03942	2.6
67.05500	2.3
67.73311	0.4
69.07102	0.4
69.68718	3.6
77.03922	1.8
79.05490	36.5
80.05821	1.2
80.06254	1.0
81.03428	0.8
81.07050	4.3
89.06585	0.5
91.05476	44.1
92.05806	1.6
93.07037	100.0
94.07372	4.2
95.04963	17.5
103.05455	7.7
103.62643	0.5
105.04507	4.0
105.07023	36.1
106.07886	4.1
119.08567	6.5
121.02863	1.7
121.03951	0.7
121.06546	0.9
121.10138	26.1
122.06012	0.7
122.09644	0.5
122.10473	1.2
123.08073	3.7
133.07614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	2.2
53.84600	0.4
54.04280	0.8
55.01866	0.5
55.16498	0.4
55.70798	0.4
59.06120	9.4
60.04243	0.5
60.04523	1.4
60.31157	0.4
64.11185	0.4
65.03932	6.1
70.90184	1.0
73.66655	0.6
74.06068	0.7
78.04720	1.0
78.55228	0.4
79.05485	7.3
79.05902	0.7
87.05598	1.9
91.05477	100.0
92.05009	1.5
92.05808	2.7
93.04528	0.7
93.07042	5.1
95.04968	3.4
96.05322	1.0
102.04676	0.5
103.05466	11.0
104.06255	9.5
105.04517	0.6
109.06528	1.4
113.18549	0.4
115.05444	4.8
117.07013	17.8
118.07324	0.6
119.03571	0.5
119.04979	3.3
119.06072	2.5
119.06844	1.4
119.08575	65.7
120.04460	0.9
120.05579	2.8
120.08231	2.6
120.08921	2.6
121.06514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.6
53.03941	2.6
54.04261	0.7
55.42353	0.4
59.06123	4.7
60.04525	1.2
65.03939	5.2
67.05498	0.7
70.71544	1.6
77.87913	0.4
78.04720	1.7
79.05492	8.0
87.05576	1.6
91.05479	100.0
92.04979	0.5
92.05830	3.1
93.04498	0.4
93.07050	5.1
95.04980	4.0
96.05289	0.9
102.04661	0.6
102.19984	0.4
103.05463	11.3
104.06248	12.3
105.04533	1.0
107.13818	0.4
109.06529	1.6
115.05443	6.1
117.07016	16.7
117.07854	0.9
119.04941	2.4
119.06075	1.5
119.08580	82.5
120.04481	0.8
120.05608	1.7
120.08099	2.2
120.08932	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.91213	0.5
53.03948	3.6
54.04284	1.6
54.43292	0.5
65.03937	5.5
69.98618	3.0
74.06432	0.6
78.04701	1.2
79.05498	6.6
90.08240	0.6
91.05478	100.0
92.05822	3.0
93.07044	5.4
95.04965	5.5
96.05307	2.3
102.04642	0.8
103.05460	11.0
104.06257	11.2
105.04516	1.6
106.04845	0.7
109.06507	3.3
115.05443	5.5
117.07013	26.8
118.07311	1.3
119.04960	3.3
119.06058	2.6
119.06848	2.5
119.08576	65.8
120.04632	0.6
120.05558	1.2
120.08892	3.0
121.06391	0.5
131.05992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	(S)-2-Phenyloxirane
Peak:m/z	Relative Intensity
50.01597	0.6
51.02368	1.7
53.03942	9.9
54.03463	2.3
54.52721	0.4
55.01854	1.6
55.05496	0.9
62.47981	0.4
65.03933	5.3
67.05479	1.3
67.17762	0.4
67.43668	0.5
68.05034	0.7
71.65162	0.6
77.03922	2.0
78.04706	15.9
79.05051	0.9
79.05485	10.6
81.03415	0.9
81.04532	4.1
81.07037	0.6
82.05315	2.7
85.11481	0.5
91.05474	33.5
92.05819	0.8
93.07035	15.9
94.06576	1.0
95.04964	17.9
95.06055	1.4
103.05458	6.4
105.03388	0.5
105.04509	4.9
105.07018	14.1
106.04166	4.0
106.07796	1.2
107.04918	0.5
107.07310	1.1
111.04418	1.0
112.03970	0.8
119.08572	2.3
121.02911	2.6
121.06495	100.0
121.10117	7.4
122.05996	0.7
122.07147	20.0
122.09659	1.7
123.08035	1.1
133.07585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	1.5
51.02376	4.4
53.03707	2.3
53.03946	32.2
55.01869	6.1
55.05505	3.4
60.40906	1.1
61.43624	1.4
65.03934	9.3
67.05512	1.9
77.03918	6.4
78.04708	1.7
78.91012	1.1
79.05488	27.6
81.03413	6.0
81.04545	2.8
81.07031	2.3
91.05480	100.0
92.05824	3.1
93.03442	2.8
93.07042	83.9
94.07377	2.6
94.36811	1.3
95.04966	55.1
96.05322	1.4
103.05460	21.0
105.04506	12.6
105.07037	33.3
106.07832	3.8
111.04415	2.3
118.06540	2.0
119.08569	4.8
121.02850	6.1
121.04044	1.7
121.06503	69.4
121.10139	16.4
122.06036	2.8
122.07130	12.9
122.09676	2.7
123.08083	2.6
133.07581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	0.9
51.02371	2.9
52.40889	0.4
53.03946	24.3
54.03476	2.6
54.04259	0.5
55.01876	4.8
55.05508	5.3
56.87753	0.5
57.02983	0.5
59.07527	0.4
62.30330	0.5
65.03937	10.4
66.04264	0.6
67.05501	2.4
68.99793	0.5
71.64100	0.7
77.03929	4.9
77.67241	0.5
78.04707	2.1
79.05489	34.0
80.05003	0.6
80.05813	1.0
80.06264	0.7
81.03417	6.0
81.04545	3.8
81.07069	2.7
82.05315	3.1
91.05477	100.0
92.05791	3.3
93.03385	1.3
93.07038	85.8
94.06555	0.9
94.07373	2.8
95.04966	57.3
96.05312	1.2
98.03633	0.5
102.04699	0.6
103.05462	21.3
104.05787	0.8
105.03429	1.2
105.04516	13.6
105.07025	39.4
106.07901	3.2
107.04889	0.7
107.07342	0.7
111.04433	2.2
112.03966	2.1
117.06997	0.8
119.08581	6.6
120.05687	0.5
121.02872	8.1
121.04081	2.9
121.06504	70.5
121.09342	0.9
121.10134	22.5
122.06032	2.9
122.07130	16.9
122.09680	2.8
123.08060	4.7
133.07579	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02380	0.4
52.25084	0.4
53.03941	3.3
53.23187	0.4
54.04276	1.2
65.03935	4.4
69.66003	1.7
69.66438	1.4
77.03896	0.4
78.04266	0.6
78.04712	1.2
79.05486	7.0
79.05894	0.7
91.05474	100.0
92.05814	2.1
93.07041	5.5
95.04961	4.6
96.05300	1.8
98.20761	0.8
102.04654	0.7
103.05460	12.3
104.05588	0.8
104.06243	11.4
105.04541	0.9
109.06515	2.8
115.05443	5.9
117.07011	33.3
118.07338	0.8
119.04936	2.1
119.06090	1.2
119.06864	2.7
119.08570	75.0
120.08896	2.8
121.06525	0.9
138.31514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02375	1.0
53.03946	4.0
65.03925	4.6
65.36874	0.6
67.05501	0.9
67.43918	0.6
70.59636	1.8
78.04706	2.1
79.05487	10.4
84.53846	0.6
91.05477	96.5
92.05805	2.1
93.07034	6.4
95.04964	6.1
96.05328	0.9
102.04704	0.8
103.05463	12.9
104.05619	0.9
104.06256	16.0
104.36835	0.7
105.04483	1.0
109.06516	0.9
115.05447	7.7
117.07014	29.3
118.07290	0.8
119.08575	100.0
120.08936	4.3
121.06506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	2.7
59.06123	1.4
63.54793	0.4
65.03941	4.1
67.05495	0.9
71.08947	0.9
72.04437	0.5
78.04707	1.9
79.05495	9.2
84.47652	0.4
91.05478	100.0
92.04986	0.8
92.05823	2.5
92.06297	0.5
93.07043	5.2
95.04963	4.0
96.05286	0.9
103.05466	12.0
104.05620	0.7
104.06258	11.3
105.04518	1.0
109.06499	0.8
115.05457	5.0
117.07015	21.7
118.07399	0.4
119.04933	0.9
119.08575	78.8
120.04480	0.5
120.05576	0.5
120.08135	0.7
120.08883	2.7
121.06483	0.6
131.05992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02377	0.9
53.03936	3.5
65.03949	5.0
67.92480	0.8
71.09283	1.8
78.04727	1.6
79.05492	7.0
79.46918	0.8
80.24342	0.8
91.05475	100.0
92.04983	1.1
92.05819	2.0
93.07034	5.2
95.04965	4.7
96.05293	1.4
103.05466	12.6
104.06267	9.4
105.04534	1.6
106.04790	0.8
109.06531	2.1
115.05488	5.3
117.06203	1.9
117.07011	28.8
118.07334	1.7
119.04933	1.4
119.06072	2.6
119.08575	63.5
120.05581	2.1
120.08892	2.1
121.24578	0.9
137.64136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03949	2.6
54.04273	0.6
65.03938	6.5
71.23500	1.3
77.03516	0.5
78.04707	1.5
79.05485	5.8
87.38279	0.5
90.59373	0.5
91.05473	100.0
92.04961	1.0
92.05809	3.1
93.07045	4.2
95.04967	4.7
96.05282	2.3
103.05459	9.7
104.06239	9.9
105.04520	1.4
109.06527	2.4
115.05461	5.0
117.07011	20.8
118.07359	0.9
119.04940	3.7
119.06065	3.5
119.06850	2.6
119.08569	61.2
120.04453	1.1
120.05585	2.8
120.08086	1.5
120.08908	2.2
121.06519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.11972	0.6
53.03949	2.8
64.86257	0.6
65.03936	5.8
67.05496	0.7
67.42651	0.5
71.02455	1.1
71.02823	1.2
75.21738	0.6
78.04713	1.9
79.05488	6.8
91.05479	100.0
92.05001	0.9
92.05829	3.4
93.07042	5.3
95.04947	4.4
96.05313	1.3
103.05469	10.0
104.06252	10.5
105.04564	0.8
109.06547	1.4
115.05458	6.2
115.28271	0.6
117.07014	25.1
117.07852	1.3
119.04964	4.6
119.06086	1.5
119.08577	76.0
120.05608	0.8
120.08911	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02370	0.5
51.69250	0.4
52.41888	0.4
53.03941	3.0
54.04289	0.5
65.03941	4.2
67.05504	0.4
71.65817	0.7
78.04305	0.4
78.04717	1.6
79.05486	7.7
91.05476	100.0
92.05819	2.2
92.33237	0.4
93.07048	5.2
95.04961	5.4
96.05300	1.8
100.62791	0.4
103.05461	11.3
103.06128	0.8
104.06247	14.4
105.04504	1.0
109.06518	1.8
109.65302	0.4
115.05450	7.3
116.45388	0.4
117.07013	25.9
118.07346	0.7
119.06106	1.3
119.08573	87.6
120.05615	0.5
120.08887	3.1
121.06493	1.0
131.06075	0.7
132.61761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
54.04272	1.0
55.59268	0.7
65.03935	3.6
69.89074	3.2
69.89481	1.2
78.04707	1.2
79.05499	8.3
79.47623	0.7
89.33102	0.7
90.50805	0.7
91.05480	100.0
92.05820	3.0
93.07037	5.9
95.04959	5.9
96.05319	1.7
102.04676	0.9
103.05461	13.3
104.06245	13.6
104.62981	0.7
105.04498	1.2
109.06490	1.6
115.05444	7.8
117.07014	33.5
118.07330	1.1
119.06091	1.9
119.08577	66.4
120.05584	0.9
120.08017	0.7
120.08891	2.3
121.06473	0.9
124.24178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03939	1.1
57.07073	1.8
59.06125	4.3
60.04522	0.5
65.03938	15.0
66.04268	0.4
71.64071	0.3
71.64501	0.4
74.06066	0.3
77.41672	0.3
77.79519	0.3
78.04697	0.3
79.05483	2.7
85.32748	0.3
87.05576	0.8
91.05476	100.0
92.05007	0.7
92.05809	3.1
93.04518	0.4
93.07034	1.4
95.04940	1.2
96.05334	0.3
103.05460	4.5
104.06261	3.1
105.04547	0.4
109.06541	0.8
111.25661	0.3
115.05452	1.6
117.07005	6.1
118.07284	0.4
119.04942	17.3
119.06024	1.7
119.06783	0.7
119.08576	25.3
120.04527	0.5
120.05546	2.0
120.08093	2.4
120.08910	1.0
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
53.03938	3.6
56.96558	16.1
58.99849	3.9
59.05912	2.1
59.06131	23.3
60.04525	14.3
62.95737	2.5
64.64828	2.8
65.03938	5.4
67.05498	11.3
69.03431	53.6
70.08778	13.7
71.02989	2.9
78.93124	2.8
79.05495	6.0
80.06281	5.4
81.07037	3.9
82.01431	15.6
83.01531	3.4
85.53757	3.5
87.05577	4.8
87.53455	6.9
91.05480	92.2
93.07043	6.2
93.53475	5.9
95.04970	3.1
100.02477	69.0
101.00864	10.3
101.02567	7.8
102.02225	4.2
103.02456	16.2
103.05508	4.2
107.05247	11.5
111.04420	2.7
116.05777	5.9
117.06992	4.3
118.01134	4.0
118.03519	41.8
118.98172	3.4
119.01917	100.0
119.03604	8.3
119.06063	7.9
119.08642	17.5
120.02069	4.1
120.03267	5.5
120.05601	7.1
121.03473	13.9
133.03467	8.9
137.02966	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.38258	0.3
53.03941	1.1
54.98202	0.3
59.06123	6.1
60.04509	0.8
65.03941	13.8
66.04297	0.4
69.26206	0.4
69.87321	1.9
74.06064	0.5
77.03932	0.4
78.04741	0.5
79.05495	2.6
85.46671	0.3
87.05588	1.3
91.05479	100.0
92.04988	0.8
92.05817	3.1
93.07039	2.6
95.04952	1.9
96.05319	0.7
103.05467	5.2
104.06252	3.4
105.04461	0.3
109.06499	0.7
115.05466	2.0
117.07016	8.9
119.04944	18.4
119.06011	1.4
119.08576	27.7
120.04459	0.6
120.05528	2.3
120.08093	1.9
120.08861	0.6
131.09279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02375	10.2
53.03947	57.4
54.04255	1.6
54.87907	1.7
55.01865	4.3
65.03945	4.6
69.33730	20.9
69.34126	3.8
71.33932	1.8
77.03919	12.4
79.05484	3.4
81.03394	4.7
91.05479	60.8
92.05830	16.0
92.47159	1.9
93.07054	3.3
95.04966	100.0
96.05305	4.2
98.21603	3.3
103.05449	5.8
104.06254	8.7
105.04515	23.8
109.06467	3.2
113.43623	1.7
115.05453	4.0
116.05041	2.9
116.05791	36.0
117.07043	19.4
118.06528	83.1
118.07351	24.5
119.04897	2.7
119.06857	2.9
119.08575	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.2
51.02372	6.5
51.35640	1.9
53.03699	3.5
53.03946	61.2
54.96557	1.9
55.01881	3.3
65.03944	4.4
65.64848	1.6
66.07588	1.6
69.75610	12.2
77.03918	13.2
79.05484	4.9
80.71104	1.6
81.03410	7.4
87.18100	1.7
91.05480	87.7
92.05812	17.0
95.04971	100.0
96.05287	2.2
103.05453	6.5
104.06245	6.6
105.04502	20.7
109.06529	2.1
115.05410	3.4
116.05782	40.5
117.07043	21.1
118.06536	79.8
118.07352	20.4
118.08683	4.6
119.04904	4.7
119.06883	4.4
119.08575	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	1185.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
100.49791	0.1
169.53175	0.1
174.31033	0.1
195.37184	0.1
230.01669	0.1
250.20116	0.1
277.83868	0.1
387.16327	0.1
389.17542	0.3
391.18976	0.1
392.21027	0.1
402.18515	0.2
403.19205	0.5
404.19955	0.2
405.20639	0.5
416.20078	0.2
417.16245	0.2
417.21417	0.9
418.21793	0.5
419.22348	1.1
430.17493	0.2
430.22623	0.1
431.18253	2.9
432.18674	0.9
433.24170	2.9
434.24667	0.7
435.24451	0.1
444.18787	0.1
445.19986	3.4
446.20740	2.1
447.21677	3.3
448.22238	0.3
449.23303	0.3
459.21609	2.5
459.27100	0.1
460.22534	7.9
461.23264	7.3
462.24295	0.7
463.21182	0.2
472.22485	0.1
473.23642	1.7
474.24127	0.6
476.25943	0.8
477.22339	0.4
477.26630	0.5
487.25204	1.1
488.25870	0.1
489.27319	0.6
490.19781	0.1
491.25363	0.8
492.25290	1.8
493.25818	0.3
501.22147	0.2
503.25089	0.2
504.21622	0.3
505.22015	4.9
506.22498	0.2
515.24426	0.5
516.24792	0.1
517.25690	0.3
518.23120	0.4
519.23749	1.1
520.24567	0.3
528.24017	0.1
532.20880	0.2
533.25452	47.1
534.25824	2.7
535.22913	0.1
543.24341	0.2
547.27051	0.7
549.21405	0.1
550.25574	0.3
551.26306	0.2
561.24951	1.0
563.22821	0.2
564.23584	1.8
565.28326	1.5
575.26501	0.7
578.25012	0.5
592.26654	0.4
593.27515	100.0
594.27789	4.2
1085.16833	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02362	4.7
53.00279	1.0
53.03698	2.0
53.03944	35.2
54.48639	0.9
55.01863	1.3
55.34017	0.9
58.06595	1.2
59.07375	1.3
59.93101	1.1
61.76431	0.9
65.03941	4.8
67.05472	1.1
69.36520	11.7
72.08142	4.1
76.35484	1.0
76.93365	3.9
77.03914	6.0
78.04699	1.5
79.05490	6.1
81.03411	4.2
83.33450	0.9
91.05474	100.0
91.91075	1.0
92.05793	2.9
93.07043	3.4
94.94395	1.5
95.04961	69.4
96.05343	1.7
98.05292	1.0
103.05464	10.0
104.06245	9.8
105.04505	15.9
107.04668	1.0
109.06506	1.6
115.05454	3.7
116.05772	6.2
117.07018	20.4
118.06538	45.9
118.07310	3.1
118.08665	3.0
119.04944	4.1
119.06066	3.6
119.06827	2.6
119.08572	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	8.2
53.03705	3.6
53.03947	67.1
55.01858	4.4
65.03941	3.1
69.72522	11.8
69.72937	3.0
71.23919	1.7
74.33566	1.9
77.03926	10.6
79.05479	2.2
80.15029	1.8
81.03403	5.6
91.04954	3.5
91.05479	38.2
95.04968	100.0
95.07442	2.1
96.05303	2.1
98.20747	3.7
103.05470	3.9
104.06231	3.8
105.04522	24.6
107.28151	1.8
113.79917	2.1
115.05469	2.7
117.07023	12.4
118.06539	85.4
119.06873	2.9
119.08574	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02373	5.5
51.96362	2.4
53.03707	5.2
53.03948	65.2
68.81713	2.8
69.87219	2.8
70.58443	10.8
70.58826	3.1
71.63952	2.4
77.03925	11.1
91.05499	24.5
95.04966	100.0
103.05508	4.3
104.06236	4.1
105.04519	31.2
117.06999	3.7
117.65754	2.7
118.06550	90.4
119.06912	6.7
119.08584	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02388	5.9
53.03947	42.5
55.01886	2.1
56.48314	1.1
56.86150	1.0
63.78507	1.1
65.03952	5.4
67.05498	1.4
71.62433	1.9
77.03931	10.6
79.05497	4.9
81.03422	3.3
87.31448	1.3
91.05479	100.0
92.05801	11.5
93.07043	4.8
95.04967	73.2
96.05344	1.7
103.05472	11.4
104.06252	10.0
105.04515	20.0
109.06549	2.8
113.60620	1.1
115.05460	6.6
116.05777	20.5
117.07030	32.1
118.06554	67.8
118.07355	11.0
119.04967	2.8
119.06855	3.4
119.08579	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02369	7.1
53.03945	60.7
56.76530	2.4
58.64793	2.3
65.03945	3.4
66.04711	5.4
70.09464	5.5
70.09879	8.9
77.03918	10.4
81.03402	6.6
81.17643	2.1
89.03899	9.8
90.04704	13.6
90.86928	2.3
91.05476	27.4
92.02597	2.2
95.04964	100.0
96.05310	3.3
105.04501	22.8
113.98631	2.6
114.76949	2.5
117.06979	2.5
118.04171	6.6
118.06541	71.3
118.07281	2.5
119.08567	6.9
132.78979	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	118.0653
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02372	5.5
53.03943	41.0
55.01866	2.2
60.45854	2.0
60.74305	2.0
65.03935	3.1
69.85927	9.9
69.94680	1.7
72.08151	2.2
73.16074	2.0
75.75289	1.7
76.93375	4.3
77.03911	6.8
78.09743	1.7
79.05495	5.8
81.03398	4.7
91.05479	100.0
92.05812	2.5
93.07038	4.9
95.04966	62.6
98.21470	3.9
98.78062	1.8
103.05466	15.0
104.06239	13.3
105.04515	15.8
109.06539	2.2
115.05467	5.2
116.05786	7.3
117.07008	34.2
118.06554	53.2
118.07347	6.0
119.04886	2.4
119.08575	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	7.0
51.19127	1.7
53.03944	64.0
53.18406	1.5
56.96545	2.0
67.05508	1.6
71.10780	3.0
76.93370	1.7
77.03928	10.2
79.05488	6.0
81.03411	4.5
91.05483	73.5
92.05837	4.0
93.07060	4.9
95.04967	100.0
96.05292	2.0
103.05473	8.1
104.06237	9.3
105.04504	27.3
115.05426	4.3
116.05810	4.2
117.07011	28.4
118.06547	80.2
118.07312	4.9
119.06881	3.2
119.08576	51.9
125.85986	1.6
131.00235	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	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02373	1.0
53.03749	0.7
53.03946	6.5
53.17946	0.8
65.03934	2.4
71.63507	1.0
75.84930	0.6
77.03938	1.8
81.03425	0.8
91.05479	74.8
92.05812	1.5
95.04973	11.0
102.04662	1.5
105.04497	2.3
115.05451	100.0
116.05684	2.5
116.06261	4.4
117.07023	66.6
118.06570	10.7
118.07342	2.4
119.25639	0.7
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
51.02371	1.3
52.95714	0.5
53.03944	4.3
57.82856	0.6
58.40125	0.6
69.97818	3.0
77.03929	1.0
91.05476	43.0
92.05822	1.5
92.84267	0.6
95.04977	7.8
105.04509	2.5
115.05448	78.7
116.05704	2.2
116.06284	2.4
117.07012	100.0
118.06532	7.5
118.07355	3.7
120.94321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01601	1.6
51.02368	6.3
53.03713	3.5
53.03947	58.5
55.01843	2.6
56.13064	2.0
58.06586	7.2
59.07373	3.5
69.53663	4.3
69.54067	15.4
72.08131	3.1
73.08533	1.8
77.03931	11.2
79.05507	2.3
81.03435	4.5
91.05470	33.1
95.04965	100.0
96.05276	4.3
103.05431	2.5
104.06236	2.2
105.04524	25.7
115.05409	2.2
117.07021	6.3
118.06543	78.0
118.08647	11.4
119.06077	3.2
119.06867	4.3
119.08567	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	1.8
51.02385	8.5
53.03946	50.9
55.01881	2.4
57.22265	1.6
58.06592	1.9
59.93101	1.6
65.03934	7.2
68.97242	1.8
69.42081	8.4
69.42516	7.9
70.03738	1.8
72.08161	3.0
72.68526	1.4
72.82695	2.0
76.93369	12.4
77.03928	9.9
79.05489	5.2
81.03413	5.8
91.05479	100.0
92.05806	2.9
93.07043	4.1
94.94421	3.7
95.04967	90.3
96.05309	2.2
103.05473	6.3
104.06257	6.5
105.04511	21.9
105.05132	2.0
106.92104	1.5
109.06484	3.4
115.05438	4.0
115.27960	1.7
116.05807	3.0
117.07011	19.8
118.06548	80.6
118.07336	4.3
119.04952	4.3
119.06075	4.1
119.06863	4.3
119.08578	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0553
Annotation	DL-Propargylglycine
Peak:m/z	Relative Intensity
53.00285	0.5
53.03951	0.8
55.01880	2.2
55.03810	0.4
55.05509	2.4
56.05032	2.0
56.96563	15.8
57.03434	3.3
58.06593	0.7
58.99859	1.1
59.04999	1.1
59.19452	0.4
67.05494	0.4
68.02651	0.4
68.05025	63.8
69.03428	4.8
69.04034	0.4
69.05359	1.6
69.07070	0.7
70.06592	2.8
70.86219	1.2
70.86586	0.4
70.98100	0.6
70.99842	0.5
71.01354	0.8
71.03297	0.5
71.04983	3.2
71.06923	0.6
71.95278	0.5
72.08149	1.5
72.93790	6.1
73.02912	1.5
73.53831	0.4
74.97596	0.5
75.01903	0.7
75.02750	0.5
77.00883	1.9
79.05486	0.9
81.03429	0.4
81.99975	0.9
82.01437	1.9
82.04883	0.4
83.97607	0.6
84.08145	0.6
85.02916	1.8
86.06064	2.1
86.52692	0.4
87.04459	0.5
88.02676	1.3
89.00835	0.5
90.94828	1.5
91.00521	4.7
95.01935	0.8
96.04484	0.7
96.08142	1.3
97.07645	1.1
98.01282	0.6
98.97600	0.9
99.04432	1.0
100.01071	1.9
100.02475	8.1
101.00883	2.2
101.02587	0.8
102.00987	0.4
102.02367	1.3
102.51308	0.7
102.53174	0.4
103.02394	0.9
105.00359	0.5
111.02930	1.4
111.52961	0.4
111.53690	0.6
112.02798	0.7
112.07553	0.6
113.00842	0.9
113.02344	0.7
113.96375	0.4
114.05524	100.0
114.09152	6.1
114.10282	1.9
115.02441	0.9
115.03919	2.8
115.05897	3.1
115.09454	0.4
118.03532	5.0
119.01911	7.2
119.03625	0.5
120.02037	0.8
120.03389	0.9
121.01660	1.3
121.03454	0.4
123.04105	0.5
124.02447	0.4
127.10353	0.4
131.01904	5.2
132.02049	0.9
132.05101	0.4
133.01662	0.8
133.03497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	CHEBI:87123
Peak:m/z	Relative Intensity
54.55172	0.4
55.01653	0.4
55.01872	3.6
59.04988	0.8
59.92226	0.3
65.03928	0.8
69.03399	0.4
73.35382	0.5
73.63024	0.4
82.31393	0.4
87.04462	0.5
88.91718	0.5
89.03912	1.4
99.44699	0.5
115.03926	100.0
115.05421	22.2
116.04240	2.3
116.06266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10194	0.5
64.87215	0.5
65.03929	2.1
69.41625	4.4
69.42043	1.5
71.19307	0.5
82.78075	0.5
89.03915	5.5
96.52544	0.5
97.06857	0.5
97.15990	0.5
98.20769	1.0
115.05450	100.0
116.05692	1.7
116.06244	3.7
134.44467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.4
61.45757	0.3
63.02365	0.7
65.03936	2.1
69.38728	2.3
69.39145	1.4
70.06598	0.6
81.38160	0.4
89.03914	5.4
98.21588	0.4
113.96068	0.4
115.03896	2.3
115.05451	100.0
116.05718	2.0
116.06271	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	115.0756
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00303	0.9
53.03943	2.5
53.78048	0.6
54.03464	1.7
54.64655	0.6
55.01869	9.5
55.05508	10.1
56.03769	3.3
56.05031	10.5
56.96560	1.5
57.03434	11.9
57.04551	2.1
57.93563	3.1
58.02958	2.7
58.06615	1.5
59.03740	7.9
59.05000	12.7
59.06124	2.8
60.04525	2.2
67.05495	7.4
68.05022	1.0
68.66178	0.6
69.03426	9.0
69.04547	3.1
69.07064	100.0
70.02930	0.9
70.06590	20.2
70.07389	4.5
70.69581	2.1
71.01351	0.7
71.04985	2.6
71.06129	0.7
72.04512	1.0
72.08150	2.6
72.93781	2.6
73.02911	2.0
73.06554	21.1
73.07666	9.0
73.93822	1.9
74.04816	1.7
74.06083	3.1
74.93825	24.4
75.05169	1.5
75.05600	1.8
79.05486	17.9
80.05024	0.6
80.05834	1.4
82.05334	3.7
83.01333	2.0
84.05609	0.9
85.02896	1.9
85.04028	1.3
87.00814	1.7
87.04464	9.1
87.05589	1.5
87.09222	1.0
88.03986	0.8
88.07622	0.9
89.03916	1.3
90.94825	0.7
91.94865	1.0
92.94861	7.2
95.04967	1.8
97.02882	2.8
97.04008	1.6
97.06525	47.3
97.07628	4.1
98.04783	1.9
98.06046	2.8
98.06855	2.0
99.05556	0.8
110.95893	2.2
115.02735	1.1
115.03925	27.1
115.05438	6.4
115.07623	3.1
115.08685	3.8
115.09513	6.1
115.96429	3.5
116.07079	2.3
116.08201	1.8
116.97218	1.8
133.97464	1.2
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	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03944	4.8
56.51522	0.5
65.03935	2.0
69.87611	3.2
79.59111	0.5
81.03414	0.6
89.03926	0.9
89.25180	0.4
91.05480	72.7
92.05806	1.5
93.82774	0.4
95.04965	9.4
102.04710	1.2
105.04536	2.7
115.05453	100.0
116.05685	2.0
116.06245	4.4
117.07022	54.8
118.06561	8.5
118.07352	1.9
129.04411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
53.03946	1.5
54.04276	0.9
55.01873	6.2
55.05513	1.5
56.05035	1.2
56.96565	21.9
57.03438	7.4
58.96157	0.5
58.99858	2.6
59.05004	4.6
60.95861	0.6
61.02918	0.8
61.58362	0.5
62.49706	0.4
67.05528	0.6
68.02644	0.8
68.05029	66.0
68.98344	0.4
68.99789	0.6
69.03432	9.0
69.05357	0.9
69.07052	3.1
70.06591	1.7
70.13162	2.1
70.99853	1.1
71.01354	1.0
71.04990	5.3
71.06878	0.5
71.95257	0.9
72.04514	1.3
72.08164	1.8
72.93788	17.3
73.02905	3.3
74.97604	0.6
75.01051	0.8
75.01916	1.0
77.00912	3.7
78.52958	1.1
79.05492	2.2
81.01926	0.7
81.03416	1.3
82.01442	3.1
82.02983	0.7
82.03737	0.6
82.34651	0.5
83.00813	1.0
83.01365	2.0
83.04974	0.6
83.97606	0.6
84.08144	0.5
85.02924	3.0
85.03341	0.6
86.06075	4.0
86.52711	0.9
86.99323	0.8
87.00829	0.7
87.04472	4.1
88.02692	1.6
89.00837	1.6
90.94826	4.7
91.00526	1.6
91.02400	0.8
93.53490	0.7
95.01957	1.1
96.04449	0.9
96.05274	0.5
96.08116	2.2
97.02895	2.0
97.06510	0.9
97.07650	1.3
97.99178	0.6
98.01279	0.8
98.97588	1.8
99.04462	2.1
99.53503	0.6
100.01033	1.4
100.02479	18.2
101.00887	4.7
101.01516	0.9
101.02563	1.7
102.01038	0.6
102.02329	1.6
103.00595	0.6
103.02404	1.0
105.00367	1.4
107.01853	0.4
108.95844	1.0
111.02937	4.9
111.52968	1.2
112.02917	0.5
112.03732	1.2
113.00871	1.3
113.96415	0.7
114.02726	1.6
114.05530	100.0
114.09158	12.4
114.10277	0.9
115.02448	1.9
115.03927	9.8
115.05930	2.5
115.09509	0.6
116.98610	1.1
118.01120	0.7
118.03519	13.0
118.04307	0.9
119.01913	18.5
119.03639	1.5
120.02014	1.8
120.03410	1.9
121.01627	1.6
121.03510	1.1
123.01432	0.6
123.04062	0.9
124.02440	0.7
131.01910	9.8
131.97437	1.0
132.01953	2.4
132.05077	1.6
133.01689	1.5
133.03439	3.1
134.99669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
98.63286	0.2
118.22977	0.1
127.30360	0.1
156.09973	0.1
175.17622	0.1
179.28352	0.1
180.68019	0.1
209.10681	0.3
220.20938	0.1
251.11597	0.2
269.06219	0.2
298.13416	0.2
310.13364	0.1
336.76419	0.2
340.14462	0.2
373.14355	0.2
374.15375	0.4
375.16010	0.5
376.17136	0.2
387.16333	0.4
388.16891	0.5
389.17609	1.8
390.18381	1.0
391.19070	0.6
401.13165	0.2
401.17731	0.9
402.13882	0.3
402.18750	1.0
403.19379	3.0
404.20038	1.5
405.20685	1.8
406.20993	0.2
415.14609	0.3
415.19943	0.6
416.16260	0.9
416.20422	0.6
417.16034	2.9
417.21017	1.7
418.17606	0.6
418.21597	0.7
419.22403	5.6
420.22824	0.5
429.16464	0.3
429.21381	0.3
430.17902	0.9
431.18143	5.6
432.18872	2.3
433.20108	2.1
443.18539	0.5
444.19485	0.4
445.20029	4.9
446.20892	5.0
447.21704	6.3
448.22345	0.5
457.20435	0.2
458.21085	0.3
459.17325	0.7
459.21890	1.6
460.18900	0.8
461.19461	1.1
462.20569	0.2
463.21136	0.4
473.19513	0.9
473.24124	0.5
474.20267	3.4
475.21191	4.9
476.21655	0.4
477.22681	0.5
478.23813	0.2
487.21365	2.5
488.21683	0.4
490.23450	0.2
491.19897	1.0
501.22931	1.3
502.23764	0.2
503.20819	0.3
505.21222	0.2
505.25977	0.7
506.22845	0.3
517.22382	0.2
518.22913	0.5
519.20520	0.5
529.22113	0.6
533.25470	13.6
534.25787	0.8
535.23810	0.2
535.84692	0.2
547.23785	0.2
561.24927	23.1
562.25104	2.0
565.27704	0.5
589.24286	0.9
593.27533	4.7
594.27698	0.4
621.26996	100.0
622.27313	5.0
622.37946	0.2
623.28021	0.4
801.50238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02068	0.4
53.03949	1.6
54.03475	1.8
55.01873	3.2
55.02994	0.8
55.05498	2.0
55.93563	0.4
56.03779	0.6
56.05045	1.8
56.96563	100.0
57.03438	8.9
57.04555	3.4
57.07045	0.4
57.15049	0.4
58.02964	2.7
58.06598	0.8
58.99598	0.4
58.99838	2.0
59.03745	1.6
59.05004	1.7
59.06118	0.7
59.52190	0.9
59.58462	0.3
60.04528	2.3
60.95845	0.8
61.02921	0.6
65.03928	0.9
65.52182	0.4
67.01855	0.4
67.02985	5.4
67.05496	0.8
68.02596	0.7
68.05028	3.4
68.98345	0.3
69.01919	0.5
69.03427	6.3
69.04549	2.2
69.07059	3.2
69.47887	0.7
69.48298	3.3
70.02951	0.3
70.06584	1.9
70.99866	0.4
71.01335	0.7
71.05005	0.7
71.06124	0.7
71.08582	0.5
71.94099	0.9
71.95270	2.0
72.04514	13.2
72.08164	2.7
72.52967	1.1
72.93784	48.3
72.96031	0.9
73.02928	3.2
73.04035	1.4
73.07678	0.9
73.93804	0.6
74.04819	34.6
74.97606	1.8
75.01942	0.5
75.04471	0.4
75.05145	0.4
77.00904	4.1
78.01002	0.4
78.52950	2.1
79.00676	0.4
79.01819	0.5
79.05493	4.3
79.52859	0.5
80.05010	0.4
80.52688	0.8
81.01907	0.8
81.03420	2.5
81.04530	1.7
82.01391	1.8
82.02690	1.0
82.05319	5.8
83.03497	0.4
83.52386	0.7
83.97621	2.2
84.52979	0.4
85.02397	0.4
85.02892	2.1
85.04021	0.6
85.51892	0.6
85.53732	1.4
86.06055	3.3
86.52708	1.2
86.53638	0.5
86.99326	0.6
87.02680	0.4
87.04472	1.3
87.05593	4.8
88.02673	1.5
88.52822	0.4
89.00842	0.4
90.02395	0.5
90.52976	0.7
90.94820	21.6
91.00535	0.7
91.53738	0.8
91.54279	7.4
91.94863	0.4
92.01099	0.7
92.04317	0.5
92.52784	0.5
93.53507	0.7
94.54247	0.8
95.01934	1.6
95.04977	1.0
95.06076	1.9
95.53259	0.7
96.04489	1.2
96.05639	2.5
96.08134	3.2
97.02892	1.3
97.04011	1.2
97.06458	2.2
97.07649	1.7
97.08429	0.5
97.53719	0.4
97.99223	0.8
98.04774	0.6
98.06063	0.5
98.20834	0.8
98.52695	0.9
98.97584	0.9
99.04413	0.7
99.53464	1.2
100.01048	0.7
100.02477	15.1
100.52425	5.0
100.54799	1.6
101.00871	2.0
101.01624	4.6
101.02557	2.1
101.98653	0.8
102.02280	2.7
102.52429	0.7
102.53057	0.5
103.00591	0.8
103.02442	2.6
103.05043	0.6
105.00372	1.9
105.03387	2.0
106.01035	0.9
108.95872	6.9
109.02881	0.4
109.52948	0.7
110.02178	0.4
111.02921	5.6
111.04382	0.6
111.53586	1.8
112.01019	0.6
112.02724	0.8
112.07626	0.6
112.52425	1.6
113.00858	1.1
113.96397	4.0
113.98641	1.1
114.02710	1.3
114.04036	1.1
114.05534	3.1
114.06647	14.6
114.07442	0.8
114.09159	22.1
114.10279	3.2
115.01218	2.8
115.02419	2.1
115.03974	1.9
115.05035	1.1
115.06969	0.5
115.08677	0.5
116.98541	0.9
118.01167	0.8
118.03515	16.6
119.01052	0.9
119.01914	15.8
119.03596	2.3
120.02007	2.3
120.03310	2.5
121.01651	3.2
121.02791	7.2
121.03487	1.4
122.03119	0.5
122.03664	0.7
122.53694	0.5
123.01391	0.8
123.04059	1.3
124.02433	0.8
128.01947	0.6
130.03508	0.5
131.01901	12.1
131.97443	4.0
131.99689	4.6
132.01956	1.9
132.05064	21.1
133.01526	1.0
133.02293	1.4
133.03458	4.0
133.04456	0.7
133.05287	0.8
134.99660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
135.44614	0.1
184.07327	0.2
311.25992	0.2
346.83908	0.1
396.12241	0.3
397.12811	1.0
398.13632	0.4
399.14441	0.4
400.15393	0.1
409.12982	0.3
410.13635	1.2
411.14517	3.2
412.15259	2.8
413.16000	1.6
414.17163	0.2
422.13797	0.2
423.14926	1.0
424.11047	0.7
424.16281	1.5
425.16275	7.0
426.16913	5.6
427.17560	1.7
428.18546	1.2
429.19165	0.2
436.15445	0.1
437.16147	0.6
438.13080	1.5
438.17404	0.9
439.13586	10.8
440.13721	0.8
440.19116	4.1
441.19278	25.3
442.19550	2.1
450.12747	0.2
451.13736	0.4
451.18134	0.3
452.13995	1.9
453.15234	12.6
454.15823	3.7
455.16745	0.4
455.21457	0.3
456.18546	0.2
457.14609	0.7
458.15796	0.3
459.20544	0.2
463.13919	0.6
464.14365	0.2
465.15222	0.7
466.12656	0.5
466.17618	0.3
467.17163	19.8
468.17838	10.4
469.18814	9.7
470.19516	0.8
471.16299	0.7
472.17267	0.5
476.16086	0.2
477.15665	0.3
478.16064	0.4
479.16766	0.4
480.17426	0.7
481.14755	11.9
482.15079	2.5
483.16602	0.4
485.18463	0.9
486.18964	0.4
487.19684	0.2
490.18188	0.2
493.15347	0.2
494.17154	0.5
495.16153	4.9
496.17120	10.3
497.17883	2.8
498.19299	0.6
499.19711	0.7
500.21057	0.3
508.19812	0.7
509.18271	2.0
510.19379	0.4
511.20065	0.3
512.20837	0.9
513.21021	0.4
514.22662	2.2
515.22516	0.2
522.18115	0.7
523.19751	1.1
524.19983	0.4
525.17609	0.3
526.18494	0.3
527.23547	2.5
528.24042	0.3
529.23987	0.2
536.19238	0.4
537.19470	0.6
538.19659	0.1
539.19293	0.3
540.19977	0.7
541.21130	0.2
542.21533	0.9
545.23883	0.4
551.19269	0.3
554.17871	0.1
555.22369	24.4
556.22748	2.4
557.23651	0.3
567.20203	0.1
568.18927	0.5
569.19910	0.1
573.23260	0.4
582.21454	0.3
583.21844	69.8
584.22137	6.2
585.21332	0.2
586.20343	0.7
587.25140	1.3
588.24884	0.1
600.21576	0.3
601.22882	0.2
611.21234	1.7
614.23669	0.8
615.24445	6.3
616.24805	0.4
628.20685	0.2
642.23206	4.5
643.23883	100.0
644.24158	6.8
644.35278	0.2
645.24701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03938	3.5
54.03478	1.2
55.01867	3.8
55.05512	12.7
56.05043	7.2
56.96566	89.4
57.03433	2.5
57.63744	1.2
59.37228	0.9
60.95852	7.6
65.03932	3.5
67.02976	1.3
67.05499	2.8
68.02642	2.3
68.05022	3.1
69.03428	7.1
69.04554	12.2
69.07068	1.3
69.45097	3.0
69.45506	7.7
70.06593	72.6
70.98105	3.7
71.07357	1.5
71.47816	1.1
71.95272	12.9
72.96062	1.7
76.51565	1.3
77.00803	1.1
79.00407	1.4
81.03427	6.1
81.04536	4.5
82.05323	75.2
82.06585	6.1
83.00793	1.5
83.05026	6.9
83.06104	80.9
84.01574	1.2
84.04502	2.7
84.06436	2.9
84.08137	4.0
84.96037	2.0
85.02895	1.6
85.53741	1.2
88.00483	2.6
88.99160	2.0
90.01524	1.3
91.05476	1.1
92.01302	1.1
93.01977	1.9
93.03407	1.0
93.07078	1.3
94.04050	4.2
94.04851	1.5
94.06590	5.6
95.02457	26.4
95.04932	1.4
96.06881	2.9
97.00997	1.5
97.02352	2.7
98.97597	2.7
100.02491	4.9
102.02224	1.5
102.96903	1.2
103.02475	2.3
104.01255	1.8
108.02526	1.9
109.02947	1.3
110.97579	6.7
110.98270	0.9
111.00823	1.0
111.04456	17.5
111.05569	86.3
111.06286	3.1
111.09202	46.9
112.05094	100.0
112.07589	5.7
112.08735	2.3
112.11222	1.4
113.00021	1.0
113.01731	1.1
115.02402	1.2
116.98618	1.1
118.01150	2.5
118.03529	4.0
119.01948	1.1
120.97960	1.0
128.98608	18.1
129.03989	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	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03939	14.2
55.01869	20.6
55.02974	3.0
55.05511	77.0
56.05035	3.5
57.03421	3.1
57.93565	3.8
65.02256	2.3
65.03951	20.5
67.05503	21.6
68.02608	2.8
68.05021	3.7
69.03429	28.1
69.07076	20.4
70.06588	13.7
70.94234	3.6
71.64796	4.9
71.83338	2.9
72.00378	2.9
78.35067	2.2
79.05505	3.1
81.07059	6.3
82.05317	7.5
83.04980	32.1
83.06106	13.3
83.08614	7.5
84.04484	5.1
84.08138	7.3
88.00484	69.3
89.00259	9.6
91.05492	28.7
93.03423	6.1
93.07039	43.0
94.02900	3.2
94.06592	3.6
95.04974	17.8
95.06055	3.4
96.04499	4.2
97.01005	87.7
98.00781	15.3
99.51276	24.1
100.51042	6.7
105.04504	4.7
106.01519	6.8
108.51786	11.1
109.51559	2.8
111.02065	4.5
111.04441	100.0
111.05593	17.8
111.06397	7.7
111.07463	3.3
111.08076	77.8
111.09196	6.1
112.03969	21.2
112.05027	5.5
112.07622	33.4
112.08792	6.2
115.96434	34.7
116.97250	14.0
117.95979	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01609	0.5
51.02382	1.0
53.00317	0.8
53.03944	18.8
54.03462	0.5
54.04281	0.8
55.01873	1.7
55.05509	11.5
56.05035	0.7
65.03941	9.1
66.04706	0.5
67.02991	0.6
67.04285	2.0
67.05503	100.0
68.05029	10.8
68.05823	2.0
69.03420	0.5
69.04558	1.8
69.05805	0.7
69.07070	6.5
70.82894	0.9
70.83247	0.9
76.45898	0.4
79.05495	17.9
80.05020	1.2
80.05827	0.7
80.06276	1.1
81.03416	40.1
81.07053	37.0
82.03745	1.1
82.05353	0.5
82.06579	8.3
82.07391	1.4
83.06106	1.4
87.00471	1.2
91.05473	4.0
92.04999	1.9
94.04191	3.5
94.07825	1.8
95.04955	0.7
98.24485	0.4
105.07020	0.5
107.04939	1.6
107.08601	3.9
109.02884	7.5
109.04010	0.5
109.05342	0.5
109.06515	15.1
109.07642	20.9
109.08445	1.0
109.10150	42.7
110.03655	1.5
110.06053	9.6
110.07183	5.8
110.07934	0.5
110.10477	1.6
110.65194	0.4
111.04482	0.4
115.33664	0.4
116.20163	0.5
127.17702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	1.0
53.00319	1.3
53.03946	17.9
53.95425	0.5
54.04280	0.8
55.01880	1.6
55.05511	11.5
55.05750	0.4
58.92966	0.5
65.03939	9.8
66.04710	1.1
67.04274	1.2
67.05503	100.0
68.05025	2.6
68.05846	2.2
69.04553	1.9
69.07056	6.9
70.97433	1.1
70.97786	0.7
74.69106	0.6
74.99287	0.5
79.05491	24.7
80.06285	1.5
81.03419	31.7
81.07055	53.6
82.03742	0.7
82.06591	3.4
82.07381	1.3
87.00452	5.5
91.05479	15.7
92.04994	0.7
92.05815	1.0
94.04184	20.9
94.04784	1.0
94.07825	1.6
95.04980	1.7
96.01002	0.8
98.51238	1.3
105.07034	0.7
107.04966	8.8
107.08576	3.8
108.05313	1.0
108.15821	0.5
109.02888	7.8
109.06516	49.8
109.07616	3.7
109.08494	1.6
109.10155	41.5
110.06041	19.9
110.07143	7.2
110.10512	1.5
111.04456	1.8
113.96398	2.4
119.06071	1.2
121.04023	0.8
126.80690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03934	2.6
53.75330	0.5
55.05510	11.7
65.03939	4.1
67.05501	100.0
68.05830	2.7
69.07064	6.0
70.19724	2.5
76.04566	0.4
79.05489	8.5
80.06294	1.3
81.03413	2.1
81.07051	30.6
82.07380	1.0
91.05468	1.6
94.07813	1.4
98.20811	0.7
105.06984	0.5
107.08587	3.3
109.06511	1.7
109.10146	40.1
110.05988	0.5
110.10495	1.0
117.86126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02377	0.3
53.00304	0.5
53.03945	3.9
55.01870	0.3
55.05505	11.3
55.35929	0.2
56.05837	0.2
58.94231	0.2
65.03934	4.8
67.05498	100.0
68.05025	0.3
68.05833	2.3
69.07063	7.8
71.65513	0.3
75.82937	0.2
79.05486	10.2
80.05022	0.2
80.05850	0.3
80.06271	1.4
81.03410	7.0
81.07050	32.3
82.06577	0.7
82.07365	1.1
87.00452	0.4
91.05466	1.7
94.04165	0.7
94.07822	1.6
95.04946	0.3
95.37715	0.2
96.00977	0.2
105.07011	0.5
105.40639	0.2
107.04949	0.5
107.08586	3.8
108.08926	0.2
109.02869	1.5
109.06510	3.5
109.10146	47.1
110.06041	3.1
110.06786	0.3
110.07162	0.4
110.10456	1.8
111.96779	0.2
113.96398	0.2
119.06036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.3
53.03941	3.2
55.01863	0.3
55.05507	10.8
55.05779	0.5
56.05844	0.3
65.03938	4.6
67.05499	100.0
68.05838	1.9
69.07062	6.4
70.22048	1.2
79.05487	9.4
79.05956	0.5
80.05859	0.4
80.06271	1.6
81.03413	3.8
81.07050	31.2
82.06593	0.3
82.07381	0.7
91.05470	1.5
94.04169	0.6
94.07806	1.5
96.20073	0.3
105.07012	0.8
107.08592	3.5
109.02863	0.9
109.06506	2.2
109.10147	39.8
110.06027	1.9
110.10468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00307	0.5
53.03950	2.9
55.05233	0.6
55.05508	12.4
60.69063	0.5
65.03938	4.3
65.41758	0.4
67.05503	100.0
68.05823	2.7
68.72227	0.5
69.07064	5.6
70.57645	1.5
77.95982	0.5
79.05495	8.2
80.06261	1.4
81.03420	1.9
81.07054	29.8
82.07366	0.7
91.05465	1.4
94.07808	1.0
98.20780	0.6
107.08588	3.7
109.02838	0.6
109.06516	1.5
109.10152	40.7
110.06002	0.8
110.10479	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02391	0.7
53.00303	1.1
53.03945	17.2
55.01878	1.6
55.05511	12.7
64.35604	0.5
65.03937	6.6
67.05504	100.0
68.05030	5.6
68.05844	2.2
69.04546	2.3
69.07066	5.6
69.67820	2.4
69.68241	1.9
78.17623	0.5
79.05493	16.5
80.06276	1.1
81.03419	21.7
81.07056	40.6
82.03739	0.8
82.06601	3.4
82.07385	1.3
83.06143	1.2
86.55222	0.5
87.00438	0.9
91.05485	2.8
92.05012	1.2
94.04176	2.8
94.07848	1.1
95.04980	0.7
107.04936	1.1
107.08592	3.0
109.02888	7.9
109.06521	15.6
109.07636	8.1
109.10153	38.8
110.06058	7.0
110.07166	11.0
110.10480	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.31891	0.3
51.02380	0.4
53.00319	0.5
53.03945	5.6
54.41153	0.3
55.01878	1.9
55.05509	4.7
65.03940	13.0
66.04716	1.1
67.05503	43.6
68.05038	0.8
68.05833	0.4
68.99782	0.4
69.03410	0.3
69.04552	0.7
69.07060	2.5
69.49474	2.0
69.49892	0.6
79.05492	20.3
80.05822	0.7
80.06265	0.4
81.03419	7.4
81.07056	45.1
82.06582	0.6
82.07375	0.9
84.42495	0.3
87.00477	0.9
91.05479	34.6
92.05817	0.6
94.04185	47.2
94.07807	0.5
95.04494	0.9
95.04970	1.0
107.04954	20.6
107.08595	1.2
108.05281	0.4
109.02882	2.5
109.06516	100.0
109.10152	17.8
109.10918	0.6
110.06033	2.9
110.06937	2.5
111.04432	5.0
113.96417	0.4
115.77209	0.3
119.06103	2.2
121.03979	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01624	0.7
51.02374	1.7
53.00303	1.3
53.03945	26.5
55.01866	6.1
55.05513	8.9
55.42675	0.6
55.44732	0.6
56.95215	0.6
65.02780	0.7
65.03944	10.2
66.04708	2.5
67.05503	78.2
68.05025	1.9
68.05829	1.3
69.03458	0.6
69.04548	2.3
69.07061	5.6
70.16230	2.7
72.64748	0.7
79.05491	71.0
80.05827	1.4
80.06266	1.2
81.03418	28.1
81.07053	100.0
82.03751	0.9
82.06570	1.8
82.07381	2.3
86.50607	0.9
87.00465	3.1
91.04946	1.2
91.05475	9.7
92.05818	0.8
94.04186	9.1
94.07874	0.8
95.04976	3.4
104.46196	0.7
107.04951	3.3
107.08594	2.6
109.02876	6.5
109.06518	44.9
109.07614	4.3
109.10155	26.9
110.06063	12.0
110.07182	7.8
110.10497	0.7
113.96385	1.0
121.58738	0.7
126.03303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00303	0.6
53.03940	4.6
55.01871	0.8
55.05512	10.9
65.03937	3.3
67.05504	100.0
68.05838	3.1
69.07073	6.9
70.96224	1.0
70.96603	1.1
79.05490	10.2
80.06274	1.4
81.03412	7.4
81.07054	34.6
82.07381	0.9
87.00498	0.8
91.05483	1.9
94.04185	0.6
94.07848	1.8
107.08611	3.6
109.02877	2.5
109.06556	3.1
109.07653	1.1
109.10153	43.7
110.06039	3.2
110.10495	1.7
113.96346	0.6
125.51583	0.7
128.39880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.80061	0.8
51.02382	0.8
51.60634	0.6
53.00278	0.9
53.03947	12.4
55.01863	3.1
55.05511	11.9
65.03947	9.0
66.04707	2.4
66.55570	0.7
67.05505	95.0
67.36958	0.8
68.05828	1.4
69.03429	0.9
69.07066	6.7
69.41962	1.8
69.42365	6.9
79.05492	65.2
80.05827	2.8
81.03419	8.8
81.07055	100.0
82.06577	1.0
82.07382	3.4
91.05482	6.4
94.04195	4.9
94.07822	1.7
95.04955	1.1
105.07055	0.9
107.04949	2.1
107.08599	3.8
109.02852	2.1
109.06518	33.0
109.10154	35.4
110.06143	3.8
110.07234	4.2
110.10477	1.8
111.04458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01595	0.7
51.02390	1.6
52.69207	0.2
53.00301	0.3
53.03946	31.3
54.04293	1.1
55.01871	1.3
55.05507	2.1
56.05038	0.4
56.96564	28.5
57.03434	1.7
57.97263	0.2
59.05017	1.0
59.70948	0.2
60.95848	0.3
61.02924	0.5
65.03931	0.6
67.05502	3.6
68.00265	1.4
68.02642	0.3
68.05012	0.2
69.03439	0.7
70.47649	0.7
71.01325	0.2
71.02985	0.4
71.04985	1.5
71.95254	0.7
72.05279	0.2
72.52982	0.3
74.97610	1.1
75.01048	0.4
75.99996	0.3
77.00784	5.4
78.52955	0.5
79.01823	0.2
79.05477	1.2
81.03414	100.0
81.07037	2.1
82.01401	0.3
82.01819	0.9
82.03757	2.5
82.06582	0.6
83.00805	0.9
83.04974	1.8
83.06091	2.0
84.01571	0.7
86.01302	1.5
88.01808	0.9
88.51575	0.4
91.02328	1.1
91.05486	0.5
92.01299	0.7
93.04529	1.3
94.04169	0.6
94.06565	0.2
95.01327	0.4
97.02331	4.3
97.52531	0.4
97.99172	0.4
98.97582	5.2
100.02444	1.2
102.02213	0.5
102.53128	0.3
103.02464	0.2
105.00340	0.2
106.02840	4.1
106.53062	0.2
108.53111	0.2
109.02876	15.5
109.06515	1.2
109.07632	1.4
109.10143	1.7
110.03175	0.3
110.06046	2.0
110.07162	1.7
115.00659	1.2
115.03339	0.3
115.52077	0.4
116.98607	3.7
117.53596	0.3
117.98990	0.3
118.03484	0.9
119.01894	0.7
119.03660	0.3
120.03239	0.3
125.98887	0.2
128.98604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.00335	0.7
53.03946	16.3
55.01876	4.1
55.05513	11.6
59.72740	0.7
61.08612	0.7
63.91381	0.7
65.03944	7.9
66.04733	1.5
67.05505	99.0
68.05845	1.2
69.03406	0.9
69.04555	0.8
69.07069	5.7
70.56286	2.2
70.79653	0.7
74.02261	0.6
79.05492	69.5
80.05819	1.8
80.06258	1.5
81.03418	11.0
81.07056	100.0
82.07375	1.1
91.05477	6.7
94.04174	6.3
94.07822	1.1
95.04983	2.0
105.07038	0.9
107.04961	2.5
107.08570	3.5
109.02867	1.8
109.06518	38.5
109.07688	1.6
109.10155	40.9
110.06045	2.5
110.07133	2.3
110.10499	0.9
119.06120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.00307	0.6
53.03947	11.5
55.01866	6.8
55.05509	5.1
55.39262	0.4
64.14594	0.4
65.03938	6.7
66.04717	1.6
67.05503	39.6
68.05018	1.9
69.04558	1.3
69.07084	2.9
71.37878	0.8
71.53374	0.5
72.46899	0.5
77.68924	0.4
79.05492	43.9
80.05794	1.1
81.03416	12.5
81.07055	47.7
82.06572	1.8
82.07401	0.9
87.00468	1.0
91.05479	14.7
94.04185	5.4
94.07799	0.6
95.04967	1.9
107.04950	1.6
107.08572	2.0
109.02874	3.6
109.06514	100.0
109.07702	3.1
109.10150	16.0
110.06031	3.2
110.07210	3.6
113.96450	0.6
126.90064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
87.52666	0.3
106.96189	0.3
175.25504	0.3
193.86700	0.3
202.43332	0.3
214.64917	0.3
225.76848	0.3
246.33928	0.3
308.20685	0.3
366.47491	0.3
373.31595	0.3
396.12436	0.4
397.12878	0.9
398.13904	0.4
410.13818	1.6
411.14597	3.5
412.15179	2.9
413.15796	1.5
423.14859	0.6
424.10825	0.9
424.16269	1.9
425.16174	8.0
426.16849	5.3
427.17636	1.6
428.18210	0.9
437.11447	0.4
437.16455	0.7
438.12451	2.7
439.13416	9.1
440.13510	0.8
440.19272	3.0
441.19266	27.4
442.19473	1.8
451.13544	0.4
452.14240	2.6
453.15189	10.6
454.15976	3.3
457.14981	0.3
458.16101	0.8
463.13824	0.7
465.15671	0.6
466.16849	0.4
467.17178	22.6
468.17871	9.9
469.18832	10.1
470.18896	0.7
471.16800	0.6
472.17310	0.6
478.15994	0.6
480.16718	0.4
481.14691	12.9
482.15454	3.3
483.15759	0.7
484.17035	0.5
485.18756	0.6
494.17783	0.3
495.16144	6.7
496.17126	13.3
497.17715	2.9
498.18982	0.7
499.15594	0.5
499.19955	0.3
500.20715	0.4
508.20047	0.7
509.18350	1.6
512.20526	0.5
514.22546	1.9
522.17688	0.7
523.19739	2.0
525.16943	0.5
527.23242	2.1
536.19342	0.7
537.19104	0.9
540.20123	0.5
542.21515	0.9
551.19598	0.4
555.22357	19.7
556.22528	1.1
568.19141	0.8
582.21033	0.5
583.21851	100.0
584.22144	7.3
585.21948	0.7
586.20850	0.8
587.24829	1.3
611.21118	2.3
614.23425	0.7
615.24390	6.8
642.23199	8.4
643.23865	84.8
644.24097	4.3
645.23999	0.9
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
51.02367	2.0
51.22402	0.6
53.03705	0.8
53.03945	15.0
55.01869	0.8
65.03934	2.1
66.04699	0.6
69.30965	5.3
69.31367	1.2
77.03929	4.8
79.05492	56.5
80.05829	1.0
81.03398	1.3
95.04965	24.2
98.20769	1.0
103.05467	33.9
104.05771	1.1
105.04516	5.9
105.07028	100.0
106.06667	0.6
106.07367	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	1.2
54.28971	0.4
55.01874	0.6
62.49720	0.4
63.02360	0.5
65.03937	15.1
67.05496	2.7
70.56805	1.6
71.64685	0.4
73.33173	0.4
77.03896	0.7
79.05486	16.8
80.04995	1.0
83.41681	0.4
91.05475	100.0
92.05766	2.1
92.06279	2.4
95.04969	3.4
103.05457	1.3
105.04536	0.6
105.07022	28.9
106.04154	0.6
106.07362	0.8
107.04945	4.8
107.08588	27.9
108.04471	0.5
108.08126	0.9
108.08904	0.9
109.06513	13.9
113.20813	0.4
119.06051	5.8
122.09731	0.4
124.05235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02370	0.6
53.03947	4.7
55.01860	0.7
55.05507	1.3
57.08042	0.4
65.03938	15.6
67.05503	10.5
71.61228	0.6
77.03932	0.9
79.05489	83.8
80.05833	2.0
80.84626	0.4
91.05476	100.0
92.05788	1.6
92.06271	3.9
95.04965	6.4
101.63458	0.4
103.05481	1.2
105.04519	1.0
105.07027	28.0
106.04189	0.5
106.07373	1.0
106.38232	0.5
107.04974	1.9
107.08591	26.4
108.08877	0.5
109.06515	12.6
119.06075	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02368	3.3
51.05315	0.8
53.03943	13.6
65.03934	2.0
71.65510	1.3
77.03928	4.0
79.05485	53.1
80.05804	0.9
81.03409	1.0
95.04960	27.4
103.05461	39.1
104.05814	1.1
105.03416	0.9
105.04496	5.7
105.07021	100.0
106.06657	1.0
106.07362	2.5
121.18800	0.8
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	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01579	0.4
51.02375	1.9
51.76044	0.4
53.03946	12.2
55.01871	0.5
55.28725	0.4
63.02367	0.5
64.49865	0.4
65.03939	1.0
70.93303	0.7
77.03918	4.7
79.05489	52.6
79.08987	0.4
80.05815	1.2
81.03403	1.1
88.22297	0.3
91.00494	0.4
95.04966	21.8
96.76190	0.3
103.05466	33.1
105.04531	5.2
105.07026	100.0
106.07356	3.5
118.06512	0.5
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
51.02368	2.4
53.03706	1.0
53.03946	14.7
54.59873	0.7
60.52181	0.8
65.03928	1.1
71.18684	0.7
71.22641	2.1
77.03931	3.4
79.05492	54.9
80.05832	1.0
81.03408	1.5
81.18829	0.6
95.04966	23.7
95.05567	1.6
103.05463	34.1
105.03405	0.9
105.04522	7.0
105.07027	100.0
105.11079	1.0
106.06601	1.3
106.07358	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	2.3
51.10259	1.0
53.03947	15.2
53.27245	1.0
60.08167	1.2
61.08489	3.4
65.03937	5.9
70.06399	5.7
77.03913	3.2
79.05490	53.9
91.05484	2.4
95.04961	21.7
103.04782	2.2
103.05466	36.0
104.05784	1.5
105.04539	5.6
105.07029	100.0
105.11053	7.0
106.06575	1.9
106.07333	2.0
110.98881	1.1
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	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03946	14.6
55.01873	0.7
56.12945	0.5
65.03924	1.0
65.47470	0.6
69.74644	0.6
77.03931	3.6
77.17998	0.6
79.05489	51.4
79.18136	0.6
79.73196	0.7
80.05813	0.9
81.03433	1.0
95.04968	18.5
103.05466	35.6
104.05768	0.7
105.04541	5.8
105.07025	100.0
105.24548	0.6
106.07349	4.0
118.06538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01575	0.6
51.02380	2.7
53.03942	12.8
54.04253	0.5
55.01883	0.8
65.03920	1.3
68.15849	0.4
69.40504	5.5
69.40836	0.8
69.83911	0.5
70.71537	0.5
77.03925	3.9
79.05485	54.7
80.04543	0.5
80.05816	1.2
81.03407	1.5
91.64919	0.5
95.04956	21.0
96.06184	0.4
98.21450	0.9
103.05460	31.3
105.04516	6.0
105.07018	100.0
106.07353	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.5
51.02178	0.3
51.02367	1.9
51.44504	0.4
53.03946	13.8
53.04202	0.7
55.01869	0.9
65.03947	1.5
71.06493	0.7
71.06827	0.5
77.03922	4.1
79.05492	50.7
80.05830	0.9
81.03422	1.1
82.04870	0.4
95.04964	20.3
103.05466	33.7
104.05782	0.7
105.04522	4.8
105.07027	100.0
106.07373	2.9
115.18536	0.4
118.06561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02364	1.8
53.03711	0.9
53.03946	14.0
54.04776	0.6
65.03936	1.5
71.18828	1.2
71.19152	0.8
77.03923	3.6
79.05491	56.2
80.05820	0.9
80.73501	0.6
81.03408	1.0
82.63791	0.5
95.04360	1.1
95.04965	22.1
96.05337	0.9
103.05464	31.8
104.05785	1.3
105.04521	5.2
105.07026	100.0
106.07353	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01598	0.7
51.02377	3.0
53.03945	17.7
55.01872	1.2
65.03942	1.8
69.34971	2.7
69.35403	2.6
77.03929	4.8
79.05489	62.3
80.05833	1.4
81.03394	2.2
95.04965	28.0
96.05302	0.6
103.05466	41.6
104.05804	1.1
105.04534	6.5
105.07027	100.0
106.07369	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.2
51.02372	3.3
52.95722	0.5
53.03944	24.5
55.01865	1.2
56.05022	2.7
56.96552	2.3
57.03428	1.4
57.05360	3.4
58.06596	4.8
59.06128	5.9
60.02130	1.5
60.04511	2.1
60.08162	4.8
60.95838	1.9
62.06081	7.4
63.57286	0.6
69.03443	0.7
70.83229	1.7
73.07660	1.8
74.06074	0.7
75.04467	1.0
75.05587	1.7
77.03921	4.7
78.45235	0.5
81.03410	2.3
85.02915	1.3
85.07670	1.8
86.06065	4.9
87.04461	1.1
88.01592	1.2
95.04963	45.1
96.05310	0.5
100.65987	0.5
102.04681	6.0
103.04049	3.2
103.05463	100.0
103.08692	12.9
103.09400	0.7
103.30337	0.5
103.87092	0.5
104.05816	1.2
104.10735	9.7
105.04504	10.3
124.22803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03704	1.2
53.03944	21.0
56.05024	3.2
56.49025	0.7
56.96567	1.0
57.03428	1.1
57.05352	3.2
58.02937	1.1
58.06598	4.6
59.06120	12.2
60.02137	1.6
60.04511	2.7
60.08161	7.1
60.43514	0.8
61.54864	0.8
62.06100	6.7
70.46676	2.4
70.47030	1.3
70.63547	0.9
73.07677	2.5
75.05603	2.5
77.03912	2.9
81.03410	1.4
85.02886	1.3
85.07668	1.2
86.03234	1.1
86.06085	4.6
87.04478	1.6
88.01598	0.9
95.04353	1.5
95.04962	31.0
98.13033	0.7
98.21489	1.3
102.04673	3.8
103.03967	3.0
103.05463	100.0
103.08701	14.3
104.05805	2.2
104.10732	8.5
105.04511	7.4
117.65983	0.8
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
51.16748	9.3
51.25103	10.3
53.56465	9.1
58.06615	10.6
60.08153	48.9
69.20081	12.5
70.59904	30.6
70.60285	20.2
72.84703	10.1
83.63049	10.6
85.71445	11.6
86.47272	10.2
104.10743	100.0
115.35630	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06333	0.1
58.06597	5.6
59.07383	1.8
60.08163	51.8
61.08492	0.4
62.34303	0.1
69.03416	0.2
69.37136	0.4
69.37546	1.0
86.06054	0.1
86.09722	0.2
87.04462	0.4
104.10741	100.0
105.10446	0.2
105.11060	1.1
121.19632	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23212	0.7
53.03947	0.9
55.01872	1.1
55.05502	4.9
56.05034	41.5
56.96563	11.5
57.03432	1.1
57.04564	6.0
58.02959	1.7
58.05347	2.0
58.06597	2.4
58.96169	3.0
58.99857	1.6
59.04981	1.5
59.06123	100.0
59.96167	1.4
59.99946	1.7
60.04216	1.1
60.04528	21.1
60.95843	9.0
60.99611	1.1
68.02631	1.0
69.04562	1.3
71.40394	1.7
72.06879	1.9
72.08157	1.9
73.02901	0.9
74.06075	5.4
77.00895	1.1
78.52962	0.9
79.01851	3.0
83.01524	3.4
83.04993	1.0
83.06111	9.6
84.01196	1.5
84.04500	9.0
84.06869	1.7
85.02904	1.0
88.02360	2.1
97.02889	1.6
100.01928	0.8
100.02467	4.2
101.00879	12.4
101.02551	18.6
101.06077	1.0
101.07142	21.9
101.07871	1.6
102.02231	9.2
102.02859	1.1
102.05542	1.1
117.95979	0.9
118.03525	2.1
118.98240	1.2
119.01917	77.9
119.03623	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	9.6
55.01816	5.4
55.05457	32.0
55.05743	2.4
55.29856	0.6
56.04984	4.1
56.05794	0.9
56.96510	42.2
56.96823	3.0
57.03432	7.2
58.00528	1.0
58.06540	2.1
58.96133	1.7
58.99812	5.6
59.04946	7.4
59.06118	11.5
59.52145	1.6
59.93070	1.2
59.96125	2.4
59.96398	0.8
59.99905	1.1
60.04473	2.1
60.95847	14.2
61.02870	2.1
65.52152	1.9
67.05480	1.0
68.00230	1.7
68.02588	2.2
69.01869	2.2
69.03392	1.3
70.49814	1.9
70.99802	2.6
71.01296	2.3
71.02958	0.7
71.04990	12.8
71.52158	1.5
71.95263	3.4
72.08103	2.2
72.52936	1.2
73.02914	8.0
74.00228	0.8
74.06026	1.2
74.52657	0.9
75.01006	1.7
75.01867	0.7
76.02661	1.3
77.00869	8.7
78.00938	1.2
78.52917	2.5
79.00612	1.3
79.01814	2.3
79.51868	1.3
80.02895	2.1
80.52701	8.2
81.01032	0.9
81.02728	1.6
81.03355	1.0
82.01439	8.6
82.04156	1.4
83.00777	4.8
83.01490	2.9
83.04976	23.4
84.01138	1.9
84.01538	1.9
84.04472	2.0
84.05242	0.7
84.08099	1.8
84.96035	1.2
85.01369	1.0
85.02874	3.6
85.53695	1.8
86.01287	1.2
86.52670	2.0
87.53442	2.1
89.00786	2.0
89.03452	4.4
89.53178	0.9
90.01559	5.9
91.53691	1.9
92.01246	2.1
94.54212	0.8
95.01910	3.0
96.01968	0.7
98.01274	1.3
98.03947	2.5
98.97585	7.7
99.02055	2.8
100.02476	39.4
100.54198	1.7
101.00874	18.9
101.02526	24.9
101.03365	1.2
101.04224	0.7
101.06019	4.7
101.07109	1.7
101.07925	1.7
102.00955	1.8
102.02229	11.6
102.02902	1.0
102.05511	1.0
102.09151	1.4
103.00594	1.4
103.02428	3.5
105.02148	0.9
110.97557	1.5
111.02922	0.8
115.01181	1.4
115.02414	4.8
116.98617	4.6
117.03992	1.2
118.03513	23.7
118.96807	0.7
119.01912	100.0
119.03614	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	1006.6565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71227	1.1
70.06590	2.5
71.04995	0.2
79.05489	0.3
81.07047	0.4
82.06574	2.2
83.04974	0.7
83.08617	7.3
84.04513	0.3
84.08140	1.8
85.02874	0.4
85.06539	0.6
85.33430	0.2
86.09709	1.0
87.05584	0.4
91.05485	0.4
94.06560	0.3
95.96758	0.2
96.08146	0.3
97.06519	0.5
98.09702	1.0
98.21516	0.2
100.07624	3.0
100.11253	44.4
101.11605	0.3
109.02925	0.2
110.06054	1.7
111.04440	4.8
112.07613	1.4
112.11209	0.4
117.13862	0.7
122.06004	0.2
126.09146	1.4
127.08688	1.3
128.07076	4.6
129.05473	0.4
129.10219	0.5
134.81784	0.2
136.06216	0.3
136.07545	0.5
136.11197	0.2
139.08652	3.3
140.07074	1.6
147.11684	0.6
152.05664	0.4
163.03876	0.4
164.14368	0.7
166.15909	0.7
167.07021	0.2
168.13928	0.3
173.06003	0.2
178.40143	0.2
182.15404	19.1
192.13814	1.0
205.21700	0.2
208.08774	0.4
209.16486	19.9
210.14888	24.9
211.15201	0.5
219.08031	0.3
221.09651	0.3
226.19125	4.0
227.17516	2.0
228.15921	2.8
236.08351	0.6
238.03114	0.2
245.18619	0.5
246.06850	0.2
247.07770	0.4
248.08350	0.3
249.09048	0.3
251.10683	0.7
263.06982	1.1
264.07800	0.7
265.08600	0.4
279.10172	2.1
280.10715	0.3
281.08078	2.3
296.10373	3.3
308.23495	0.2
308.27023	0.5
309.25323	1.5
311.12787	3.7
322.65781	0.2
326.27994	4.6
328.15466	0.7
332.69580	0.2
335.24500	0.5
336.22787	3.6
337.21106	1.2
343.30621	1.7
417.31473	0.2
435.33438	1.8
436.31897	0.4
452.36078	2.2
453.34387	1.1
464.49948	0.2
534.43848	0.5
551.15625	0.2
552.44464	1.5
569.46710	0.2
643.49640	0.3
661.50098	6.5
662.50311	0.4
679.51123	100.0
680.51379	4.2
879.79987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	0.1
71.08631	1.2
71.91853	0.1
73.02915	0.7
79.05492	1.2
81.03416	4.0
81.07054	1.8
83.04966	0.3
83.08617	1.7
85.02901	1.7
85.10178	0.7
86.09708	0.1
89.06011	0.1
91.03946	0.8
91.05475	1.4
92.02502	0.1
93.07035	1.1
95.04971	1.6
95.08606	1.8
97.02888	1.8
97.06512	0.1
97.10174	0.5
99.04483	0.2
103.07558	0.1
105.07019	1.3
107.04948	0.4
107.08585	0.6
109.02891	0.2
109.05114	0.2
109.06503	0.3
109.10161	0.9
111.04430	0.2
111.08086	0.5
115.05452	0.2
117.07056	0.5
119.03552	1.1
119.08574	1.1
121.06488	0.2
121.10141	0.5
123.07997	0.1
123.11692	0.3
125.09649	0.2
127.03925	0.4
128.06242	0.1
129.06987	0.6
131.08562	0.8
133.06487	0.2
133.10155	0.7
135.11647	0.2
136.06183	100.0
136.34491	0.1
137.04585	1.4
137.06699	0.5
141.07083	0.1
142.07773	0.2
143.08534	0.1
145.04982	0.2
145.10149	0.4
147.08063	0.3
147.11670	0.7
149.09628	0.3
149.13231	0.1
155.08553	0.2
157.10138	0.8
159.11752	0.2
161.04593	0.1
161.09616	0.1
161.13329	0.2
171.11711	0.2
173.13362	0.1
175.11234	0.6
175.14841	0.1
178.07268	0.5
183.11765	0.1
184.07416	0.2
185.13406	0.2
193.12245	1.8
211.13251	0.2
223.13292	0.2
227.12755	0.1
229.28506	0.1
239.23669	0.1
241.19504	0.1
249.14812	0.1
257.24777	0.2
259.20532	0.4
267.15900	5.6
268.16229	0.1
273.18555	0.2
291.19534	1.2
298.11472	0.5
309.17053	0.1
313.27359	5.4
314.27707	0.1
333.24313	0.4
335.25885	0.2
365.23331	0.6
376.04797	0.1
505.38852	3.6
506.38791	0.1
523.39880	0.2
543.37067	0.2
562.78577	0.1
605.42218	0.1
623.43005	1.0
641.43561	0.2
658.45325	1.5
676.46362	2.9
677.45941	0.2
820.36395	0.1
820.50690	2.1
821.50366	0.1
838.51782	3.2
914.44092	0.1
982.55859	1.7
1000.57147	1.4
1036.93628	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	1000.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	0.2
71.04985	0.3
71.08619	1.7
71.29977	0.3
73.02905	0.6
79.05484	1.9
81.03411	6.7
81.07052	2.9
83.04971	0.5
83.08609	2.7
85.02900	2.7
85.10170	1.4
91.03938	1.2
91.05469	2.4
93.07040	1.4
95.04955	2.2
95.08593	2.7
95.32257	0.1
97.02895	2.2
97.06509	0.6
97.10175	0.6
101.02351	0.2
103.05429	0.2
105.07021	1.6
107.04947	0.6
107.08582	1.0
109.02911	0.3
109.06504	0.4
109.10142	1.1
111.04467	0.2
111.08083	0.6
115.05464	0.2
117.07013	0.5
119.03558	1.2
119.08579	1.7
121.06492	0.2
121.10140	0.7
123.11721	0.4
127.03898	0.3
129.06996	0.8
131.08591	0.8
133.06473	0.4
133.10109	1.0
135.11650	0.2
136.06175	100.0
137.04591	1.3
137.06523	0.6
142.07739	0.3
145.04990	0.1
145.10126	0.6
147.08067	0.3
147.11668	0.9
149.02280	0.2
149.09590	0.8
157.10103	1.2
159.11734	0.2
163.06033	0.2
163.11237	0.2
171.11664	0.2
174.07802	0.2
175.11171	1.0
178.07254	0.8
184.07416	0.2
193.12228	2.6
211.13272	0.5
227.12785	0.2
239.23601	0.2
257.24844	0.2
267.15897	4.8
268.16257	0.2
275.20053	1.3
293.20895	0.1
313.27353	4.9
314.27869	0.2
338.81680	0.2
346.18842	0.8
349.23972	0.7
402.21088	0.3
420.22369	0.5
505.38882	2.8
543.36725	0.6
623.43158	1.4
641.43689	0.2
658.45410	3.9
676.46375	13.5
677.45898	0.6
718.47144	0.2
820.50586	4.6
821.50946	0.2
838.51575	11.9
839.51434	0.8
982.55988	2.4
1000.57068	4.5
1001.56464	0.3
1016.62518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	10.2
72.99192	1.0
73.02818	1.8
75.00761	0.4
78.95781	0.9
81.03362	0.5
83.01256	1.1
83.04908	1.0
83.56068	0.3
83.95971	0.3
85.02833	2.9
87.00767	2.4
89.02320	8.6
95.01263	0.8
95.04899	0.4
96.95896	1.1
97.02840	2.6
97.06440	0.4
97.42515	0.3
99.00763	0.9
101.01699	0.3
101.02320	7.1
109.06493	0.8
110.03737	0.4
110.12441	0.4
111.00744	0.4
111.08044	8.9
111.08804	0.5
113.02343	4.3
119.03397	2.6
123.04463	0.4
123.08082	0.4
125.02374	2.9
125.09593	0.4
127.07542	0.7
131.03371	0.7
133.02852	1.2
135.04433	0.8
143.03401	1.4
149.04451	0.3
151.11185	0.6
152.99461	0.5
153.09181	0.5
153.12755	1.5
161.02364	1.2
161.04445	1.9
163.11252	0.8
165.12704	0.8
169.12265	4.3
171.10167	1.6
175.11346	0.3
177.12787	0.4
179.03351	0.8
179.05522	2.8
179.10727	0.7
181.12271	1.5
183.13817	1.1
187.03981	0.5
191.05606	0.4
193.12315	1.0
197.11769	44.9
198.12170	1.8
199.13304	2.9
209.11790	1.5
211.13350	7.7
212.11333	0.3
212.13585	0.5
221.06593	1.1
223.13275	0.3
225.11246	0.4
227.12868	2.1
235.08247	2.7
247.20598	0.9
253.09320	0.8
263.07584	0.4
263.20224	2.5
265.18118	1.3
273.18610	1.2
287.07654	0.7
291.19666	18.8
292.20041	1.3
293.21259	1.3
305.08722	0.9
309.20715	100.0
310.21124	6.9
323.09702	0.7
333.20804	0.5
351.21817	0.4
379.12509	0.6
397.13495	19.5
398.14017	1.4
415.14563	13.7
416.14828	1.1
447.46991	0.4
501.64377	0.3
577.25269	0.4
578.25824	0.4
601.41211	2.4
602.41022	0.4
619.55829	0.4
689.34045	1.6
707.34930	3.7
708.35071	0.8
841.79987	0.5
999.54877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.6
69.44875	0.2
69.45194	1.8
71.01255	8.8
72.99167	0.8
73.02814	1.3
75.00752	0.3
78.95761	0.3
81.03330	0.5
83.01254	0.8
83.04903	0.6
85.02827	1.7
86.77116	0.2
87.00758	2.2
87.39953	0.2
88.98616	0.2
89.02319	7.6
93.03336	0.3
95.01259	0.9
97.02821	1.9
97.06461	0.5
99.00742	0.7
99.08030	1.3
101.02323	7.4
101.89031	0.2
104.97304	0.2
105.91152	0.2
109.06464	0.5
111.00788	0.3
111.04406	0.4
111.08034	0.3
113.02333	3.8
113.09625	1.5
116.92725	0.9
119.03387	2.6
121.02832	0.2
121.10163	0.2
123.04413	0.3
123.08043	0.3
125.02330	3.0
125.09602	0.5
127.03861	0.3
127.07477	0.3
127.11157	0.7
129.09119	3.0
133.04926	0.5
134.03630	0.3
135.04355	0.4
137.09583	0.3
139.11180	1.7
141.09106	0.3
143.03392	1.4
149.04515	0.3
151.11162	1.0
153.12744	0.6
155.10628	0.5
161.04465	2.0
163.11073	0.5
165.09091	0.2
167.03310	0.2
167.10672	0.3
167.14305	0.4
169.12222	1.7
171.10181	8.3
172.10539	0.3
179.05484	1.3
181.12256	2.5
183.10179	0.4
183.13773	1.6
185.11745	1.3
187.07353	0.2
191.05499	0.5
192.81418	0.2
193.12193	0.9
195.13852	0.2
197.11774	5.8
198.12103	0.2
199.13333	2.6
201.11224	2.1
207.10211	0.9
209.11690	0.5
211.13342	11.1
212.13727	0.7
221.06587	0.5
225.11435	0.5
227.12833	0.4
231.21121	0.3
235.08197	4.3
253.09108	1.2
263.07587	0.3
265.21722	0.8
275.20139	1.4
277.21722	21.0
278.21979	1.3
287.07724	0.9
293.21246	8.2
294.21606	0.5
305.08716	1.1
311.22266	100.0
312.22653	7.2
315.10947	0.5
323.09592	0.3
397.13486	39.1
398.13806	2.6
415.14569	12.9
416.15115	1.1
637.32397	0.6
655.33203	0.3
675.36444	2.1
676.36304	0.4
929.47931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	54.3
77.66238	31.6
78.95801	55.9
88.15396	30.2
93.03366	40.1
96.69968	33.5
96.95890	74.2
98.20585	74.0
112.54575	29.7
121.02845	53.1
129.39848	33.6
135.04390	67.0
161.02303	75.7
171.10228	67.5
191.05574	62.8
209.11742	97.1
211.13358	47.1
225.11348	39.7
291.19534	43.9
309.20609	100.0
351.83710	44.4
498.20761	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	999.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92230	5.8
71.01252	29.6
71.04908	1.2
72.99171	3.5
73.02812	4.3
75.00739	1.7
78.95778	1.7
81.03336	2.1
83.01266	3.4
83.04876	2.2
85.02817	7.2
87.00749	8.1
89.02319	22.9
90.76642	1.1
95.01276	2.7
95.04861	1.4
96.95897	6.3
97.02833	6.4
97.06447	2.8
99.00769	1.4
101.02320	21.1
109.02834	1.4
109.06450	1.5
111.08054	9.9
112.02511	1.1
113.02347	13.8
114.42390	1.1
115.03914	1.1
116.92713	1.2
119.03369	6.8
123.04472	1.9
125.02358	7.4
125.09603	3.9
131.03410	1.3
135.02986	4.1
135.08076	1.4
137.09570	2.3
143.03427	4.3
151.11201	1.6
161.02409	2.6
161.04453	4.2
163.11206	2.5
165.12764	2.3
167.10738	2.1
169.12247	3.4
171.10190	2.0
179.03264	1.4
179.05504	7.1
179.10699	2.1
179.14281	1.2
181.12265	2.2
185.11768	3.5
191.05495	1.3
191.14282	2.6
195.13835	9.2
197.11760	31.0
198.12119	1.9
199.13373	1.9
207.10153	1.5
209.11755	8.7
211.13335	5.4
221.06633	2.0
223.13330	3.7
227.12851	3.3
235.08107	5.6
237.11298	1.4
245.19072	6.0
247.20674	2.8
253.09387	2.3
255.23326	1.4
263.07675	1.4
263.20206	2.0
265.18005	1.5
273.18655	1.8
275.20142	3.5
277.21735	2.4
287.07819	1.4
289.18097	21.9
291.19662	100.0
292.19977	8.0
293.21240	50.7
294.21591	3.7
305.21036	1.6
307.19147	22.5
308.19418	1.9
309.20691	54.8
310.20981	4.3
379.12332	2.1
397.13556	39.6
398.13794	2.5
404.65933	1.3
415.14624	21.9
533.17761	1.2
595.62506	1.5
689.33167	2.3
912.05463	1.3
981.54254	2.2
999.53430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
71.01254	18.9
71.13784	0.3
71.49952	0.5
72.01568	0.4
72.99180	1.9
73.02824	2.7
75.00750	0.5
78.95734	0.5
81.03337	0.7
83.01267	2.1
83.04898	1.0
84.30637	0.3
85.02826	4.3
85.99984	0.4
87.00748	5.0
89.02319	15.9
93.03311	0.6
95.01261	1.3
95.04891	1.3
96.95896	0.5
97.02828	2.8
97.06445	0.5
99.00741	1.0
101.02322	14.3
109.02843	0.3
109.06458	0.9
111.00746	0.4
111.04368	0.4
111.08041	8.8
113.02333	8.2
113.09598	0.9
116.92762	0.4
119.03402	5.0
121.02843	0.6
123.08074	0.5
125.02338	5.8
127.03874	0.3
131.03406	1.0
133.04965	0.4
137.02289	0.4
137.09618	0.7
139.03874	0.5
139.11189	0.5
141.01860	0.6
141.09106	0.4
143.03423	2.2
149.04413	0.6
149.09579	0.7
161.04471	3.3
167.03369	0.4
167.10690	2.1
171.10179	0.9
177.12741	1.9
179.05519	6.0
179.10698	1.8
179.14288	0.9
181.12183	0.4
195.13829	12.5
196.14322	1.0
197.11687	0.8
201.11183	0.3
203.05571	0.3
205.12268	0.8
205.15913	0.6
211.13303	1.1
217.07178	0.4
221.06580	2.0
223.13319	6.4
224.13921	0.7
225.14867	1.0
228.13678	0.8
231.21231	0.4
235.06059	0.6
235.08215	4.0
236.08644	0.3
239.16376	0.3
247.20592	1.7
253.09259	1.2
256.13126	1.5
263.07712	0.5
273.18661	1.1
275.20154	5.7
276.20502	0.6
277.21930	0.6
280.48383	0.3
287.07736	1.1
291.19666	86.0
292.19989	5.4
293.21216	100.0
294.21564	7.1
305.08731	1.1
307.18762	0.5
309.20776	1.1
317.21228	0.3
323.09747	1.0
325.20270	1.4
333.20251	0.3
379.12411	1.6
397.13483	28.4
398.13815	1.6
415.14548	14.8
416.14850	0.9
441.86880	0.4
462.77194	0.3
542.84198	0.3
581.06628	0.4
585.41724	0.5
671.33466	0.4
689.33899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55969	0.3
69.03331	1.9
70.61992	0.8
71.01254	17.0
72.52636	0.2
72.99173	1.5
73.02509	0.2
73.02815	2.3
78.95750	0.8
79.95587	0.7
81.03312	0.7
83.01276	1.8
83.04878	0.6
85.02818	4.2
87.00314	0.3
87.00753	3.6
89.02319	12.0
93.03288	0.3
95.01243	1.2
95.04845	0.5
96.95889	14.3
96.96846	0.8
97.02262	0.4
97.02827	3.9
97.06442	0.7
99.00739	1.2
99.04384	0.5
101.02322	11.5
102.02616	0.3
109.02779	0.3
111.00723	0.5
111.08049	6.3
113.02331	7.3
119.02598	0.3
119.03398	3.4
121.10155	0.4
123.01604	0.3
123.04382	0.5
123.08030	0.3
125.02326	4.6
125.09590	0.5
126.64207	0.2
127.03848	0.3
127.07533	0.7
131.03360	0.9
133.04996	0.3
137.09575	0.8
139.03842	0.4
141.01819	0.5
141.09029	0.3
143.03403	2.2
149.04399	0.3
151.11153	0.5
153.12744	0.4
161.04474	2.7
163.11206	0.6
165.12733	1.2
167.03389	0.4
167.10716	0.4
169.12257	3.0
171.10176	2.0
172.10402	0.3
177.12680	0.5
179.05544	4.4
179.10648	0.6
179.14331	1.2
181.12257	1.3
183.13789	0.9
185.04283	0.3
193.12231	0.6
193.15863	0.4
195.13831	8.3
196.14258	0.6
197.11769	30.0
198.12088	0.7
199.06099	0.4
199.13406	1.5
203.04041	0.3
205.12250	0.9
205.15862	0.6
209.11710	0.8
211.13342	5.4
217.07130	0.5
221.06604	1.6
223.13347	6.5
225.14864	0.6
227.12846	1.7
228.13550	0.9
231.21100	0.4
235.08218	3.8
247.20721	1.5
253.09386	1.6
256.13214	1.2
263.07620	0.3
263.20224	1.6
265.18198	0.6
265.21381	0.4
273.18588	0.8
275.20151	6.6
276.20587	0.4
277.21780	0.6
277.84634	0.3
287.07819	1.3
291.19672	17.7
292.19962	1.4
293.21225	100.0
294.21561	6.4
305.08865	1.4
309.20712	73.9
310.21054	5.1
317.21347	0.5
323.09799	0.9
327.21463	0.3
333.20654	0.4
373.44632	0.3
379.12430	2.6
397.13492	32.0
398.13818	2.0
415.14581	20.2
416.14902	1.1
585.41833	3.0
586.42114	0.4
654.27417	0.3
673.34845	0.6
689.33911	1.7
690.33893	0.3
691.35425	2.8
692.36261	0.6
707.35004	2.8
708.35516	0.4
983.55939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.7
71.01256	18.2
72.99173	1.9
73.02816	2.6
76.17400	0.7
78.95784	2.0
81.03334	1.6
82.47503	0.7
83.01271	2.3
83.04897	1.3
85.02819	5.4
86.47243	0.9
87.00748	3.4
87.04467	0.8
89.02320	14.0
92.10281	0.8
93.03297	1.5
95.01248	2.0
95.04914	0.9
96.95876	4.9
97.02825	6.2
97.06434	0.9
98.20752	1.1
98.73660	0.9
101.02325	12.1
102.72622	0.9
109.06467	1.5
111.08036	6.2
113.02334	8.2
116.92691	1.3
119.03408	4.1
125.02341	4.6
135.04430	1.1
137.09621	1.1
143.03404	2.1
143.53247	0.8
161.04439	2.5
163.11230	0.9
165.12738	1.5
169.12248	3.2
171.10176	3.7
179.05536	4.3
179.14369	1.1
181.12260	2.4
183.13867	2.2
184.58037	0.9
191.05460	0.9
193.12219	1.2
195.13853	8.1
197.11768	28.9
198.12170	1.5
199.13373	2.1
202.06073	0.9
209.11781	2.0
211.13326	7.7
221.06688	1.0
222.13672	0.8
223.13327	6.7
227.12865	2.1
235.08180	3.6
247.20625	1.4
263.20010	2.4
265.18152	1.1
273.18713	1.2
275.20132	4.9
287.07742	1.8
291.19675	22.0
292.19958	1.4
293.21225	96.9
294.21527	7.9
305.08917	1.4
309.20709	100.0
310.21130	6.6
333.20599	1.0
379.12381	1.3
386.28577	0.9
397.13519	30.4
398.13687	1.6
415.14536	21.5
416.15167	1.3
468.33597	0.9
504.86432	0.8
585.41486	3.6
586.42072	1.0
689.33765	3.1
691.35535	3.2
707.34698	5.1
708.36273	0.9
723.03241	1.0
897.18317	1.2
983.55658	1.9
984.52167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48435	100.0
92.42869	57.2
197.18790	58.2
200.96811	58.5
224.30338	54.7
255.22987	67.3
255.33385	57.5
277.21524	63.7
470.45358	66.1
754.29639	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
69.99141	1.4
71.01255	15.8
72.99194	1.4
73.02821	2.4
75.00734	0.5
78.95772	0.3
81.03331	0.7
83.01263	1.7
83.04911	0.5
83.55608	0.3
84.71562	0.2
85.02829	3.7
87.00746	4.9
89.02319	13.3
95.01245	1.2
95.04897	0.3
97.02835	2.9
98.19878	0.4
98.85973	0.2
99.00767	1.1
99.04375	0.3
101.02323	12.7
101.20521	0.3
109.02811	0.4
111.00709	0.4
111.04394	0.4
111.08021	0.5
113.02332	7.0
113.09608	0.4
115.03898	0.3
116.92742	0.8
119.03393	4.0
120.09290	0.3
120.35360	0.3
121.02877	0.3
125.02342	5.2
131.03375	0.8
133.04961	0.6
139.03947	0.4
143.03429	2.5
149.04495	0.5
161.04468	2.9
167.10713	0.6
177.12730	0.3
179.05553	3.6
179.14400	0.7
190.50209	0.3
195.13820	7.8
196.14444	1.0
199.06206	0.3
205.12320	0.6
205.15930	0.4
211.13268	0.7
217.07057	0.5
221.06593	1.0
223.13371	5.9
224.13907	0.4
228.13643	0.8
231.21274	0.3
235.08183	7.0
237.57191	0.3
239.12985	0.4
244.30756	0.3
245.06540	0.4
253.09254	1.7
256.13193	1.1
263.07721	0.6
265.21674	0.5
271.28766	0.4
274.87079	0.3
275.20160	4.1
276.20422	0.3
277.09232	0.5
279.23288	48.7
280.23624	4.2
287.07684	2.6
293.21222	100.0
294.21585	8.6
294.24451	0.2
305.08817	3.2
321.24411	0.4
323.09802	1.5
379.12460	0.8
397.13495	72.0
398.13824	4.8
415.14563	23.6
416.14908	1.5
528.95099	0.4
677.37195	3.6
678.37994	0.5
702.95764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69783	0.5
69.03352	0.7
70.99605	0.9
71.01246	2.2
73.02832	0.6
81.03361	0.9
83.01258	0.6
85.02845	1.8
87.00745	1.2
89.02322	1.2
93.03332	12.2
95.01251	0.9
95.04912	0.8
96.95885	0.5
101.02323	1.1
108.02027	1.5
109.02837	2.7
111.04382	1.3
113.02324	0.6
121.02835	8.6
122.03623	15.8
123.00745	0.8
123.04419	1.6
124.01558	0.9
125.02300	0.7
132.02065	0.8
133.02856	5.8
134.03647	7.3
135.04424	4.5
136.01564	6.9
137.02313	8.3
137.05916	0.5
138.03142	0.6
139.03909	0.8
145.02849	1.5
146.03632	2.4
147.04411	1.6
149.02345	35.7
149.05928	4.0
150.03127	100.0
151.00296	3.9
151.03928	17.8
152.01041	0.5
152.04657	1.6
153.01779	1.1
153.05490	1.0
155.03337	0.5
159.04376	0.9
161.02353	3.5
161.04594	0.5
161.05951	1.2
162.03175	2.5
163.03926	1.2
164.04703	9.2
165.01810	1.8
165.05478	89.3
166.02618	8.8
166.05835	1.6
167.03331	1.5
173.04442	5.1
175.03896	1.8
176.04720	0.7
177.01842	2.1
177.05453	2.5
178.02644	1.1
179.03403	1.7
179.07057	6.1
180.04211	6.9
181.03410	0.8
181.04974	11.9
184.03735	0.8
187.03960	1.7
190.02623	0.5
191.03642	0.8
191.05505	5.3
193.04898	0.9
195.06554	36.9
196.06905	1.3
203.03384	0.7
205.04990	3.7
207.06493	1.0
219.06503	1.7
220.07416	3.0
221.07837	0.6
231.10085	1.6
233.08125	0.6
275.09259	7.1
276.09387	0.9
286.04846	0.5
299.01953	1.8
315.08722	1.3
329.10175	1.2
341.10318	0.7
355.11914	0.5
371.11301	0.9
372.12000	0.7
373.12762	1.2
387.10205	1.0
387.14432	2.3
401.12238	0.8
402.13019	0.9
403.14145	0.7
417.15564	8.6
418.15671	1.0
421.14835	1.3
449.14590	8.0
450.14597	1.1
451.14551	0.7
471.16367	0.6
535.15271	2.3
549.17566	0.7
550.18781	1.2
564.19598	2.1
565.20740	20.9
566.20764	2.0
595.21814	2.8
612.21576	1.0
613.22900	10.0
614.22687	1.5
619.21283	1.4
667.23364	2.4
713.25922	13.1
714.25647	1.7
729.08374	0.6
743.15546	0.5
743.27240	8.2
744.26996	1.0
761.28162	16.7
762.27777	3.0
773.26959	1.9
791.28973	6.2
792.28564	1.0
809.30267	19.9
810.30670	4.1
914.34485	0.6
971.35168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83852	1.1
71.01266	2.8
71.14363	0.5
73.02812	0.7
85.02848	1.8
87.00777	1.3
89.02345	1.5
90.98488	0.6
93.03339	11.0
95.01266	1.0
95.04957	1.1
101.02325	1.0
105.03349	1.1
107.22381	0.6
108.02071	1.5
109.02855	2.5
111.04404	1.4
113.02354	0.7
116.92702	0.7
121.02852	7.1
122.03636	15.6
123.00790	1.1
123.04421	2.2
124.01609	0.8
124.27942	0.5
125.02404	0.6
125.97030	0.5
132.02087	1.0
133.02863	6.4
134.03644	7.7
135.04433	3.2
136.01567	7.8
137.02368	8.1
138.03137	0.8
139.03954	1.1
145.02861	1.4
146.03644	2.3
147.04424	0.9
149.02353	34.4
149.05968	4.8
150.03139	100.0
151.00278	1.9
151.03929	18.7
152.01067	0.9
152.04654	1.1
153.01863	1.2
153.05511	0.6
155.03395	0.9
159.04504	0.6
161.02385	3.8
162.03180	3.7
163.03886	1.3
164.04726	6.0
165.01811	1.8
165.05492	90.7
166.02647	8.3
166.05804	3.5
167.03386	1.7
173.04485	8.2
173.05879	1.1
174.04755	0.5
175.03864	2.2
177.01822	2.7
177.05476	3.7
178.02608	1.6
179.03452	3.0
179.05490	0.9
179.07047	8.6
180.04204	6.1
181.04985	12.5
182.05289	0.6
184.03709	0.6
187.03925	0.9
191.03673	0.8
191.05531	6.9
193.05013	1.8
195.06566	38.8
196.06914	1.2
205.05045	4.2
207.06581	0.8
208.67873	0.6
219.06557	2.0
220.07272	2.1
231.10274	2.9
251.94780	0.5
257.08081	0.7
257.12704	0.6
263.73019	0.6
275.09265	10.8
276.09552	0.9
297.07693	0.8
299.02002	0.9
315.08597	1.2
329.10199	2.0
349.92249	0.6
357.09607	0.8
369.13062	0.9
373.12845	1.5
387.10202	1.2
387.14902	2.9
402.13040	1.3
417.15512	8.3
449.14484	10.5
450.14551	1.8
535.16010	2.0
549.17749	1.2
550.18475	1.3
551.18750	0.8
564.19830	2.8
565.20789	22.6
566.21277	3.0
595.21997	2.9
612.22394	0.8
613.22925	12.4
614.22736	1.6
619.21338	1.1
640.08197	0.7
640.38190	0.7
667.23853	1.1
707.26886	0.7
713.26001	15.0
714.25751	2.4
725.25952	0.7
743.27094	8.2
744.27661	1.2
761.28101	18.5
762.28619	3.2
773.27954	3.4
791.29315	5.2
792.28931	1.1
809.30286	24.0
810.30054	4.1
898.84271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.4
70.25938	0.4
71.01254	7.6
71.04895	0.2
72.99172	0.7
73.02818	1.0
76.49820	0.1
77.30929	0.1
78.95779	0.1
81.03318	0.2
83.01251	0.9
83.04894	0.2
84.02060	0.1
85.02821	1.7
85.99983	0.1
87.00750	1.6
89.02318	5.8
95.01230	0.5
95.04910	0.2
97.02834	0.9
97.06456	0.2
99.00754	0.4
99.04409	0.1
101.02323	4.8
109.02779	0.1
111.00705	0.1
111.04413	0.2
111.08010	0.4
113.02332	2.9
113.09602	0.2
114.02660	0.1
115.03877	0.1
119.03394	1.7
121.02847	0.1
123.00780	0.1
125.02357	2.2
125.09554	0.1
131.03415	0.4
133.04979	0.2
141.01912	0.1
141.09158	0.1
143.03395	0.9
145.04910	0.1
146.63478	0.1
149.04416	0.2
161.04463	1.3
167.03450	0.1
167.10681	0.3
171.10231	0.2
177.12756	0.2
177.16302	0.2
179.05559	2.0
179.10652	0.2
179.14314	0.8
181.12213	0.1
185.11667	0.1
195.13835	7.3
196.14362	0.5
205.12279	0.7
205.15930	0.3
209.11780	0.4
211.13289	0.7
217.07129	0.1
221.06616	0.8
223.13354	5.5
224.13786	0.4
225.14938	0.3
227.12929	0.1
228.13609	0.7
231.21188	0.3
235.08200	1.9
245.06651	0.2
249.22173	0.2
253.09332	0.4
255.23238	0.5
256.13144	1.3
263.07645	0.2
265.21741	0.4
275.20175	4.9
276.20496	0.3
287.07730	0.6
293.21216	100.0
294.21542	6.4
305.08853	0.6
317.21271	0.3
323.09702	0.5
379.12454	1.0
392.98865	0.1
397.13489	15.4
398.13803	1.0
402.77176	0.1
415.14551	10.0
416.14865	0.6
482.25659	0.1
483.27057	0.2
511.29807	0.1
569.42114	1.5
570.42712	0.2
636.26215	0.2
654.27948	0.3
673.34167	1.2
674.34546	0.2
691.35413	2.8
692.36224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57894	21.6
68.23158	23.9
71.01255	100.0
78.95771	25.6
89.02347	42.5
90.52962	22.2
96.95913	19.0
98.20584	50.0
101.02318	28.7
105.88683	21.3
116.92761	26.5
120.06694	19.4
130.93895	22.8
133.02913	25.9
135.04440	24.5
141.72002	21.0
161.02400	28.3
186.88690	21.4
187.04001	25.9
191.05522	45.9
207.10220	28.3
209.11794	85.7
225.11453	21.9
285.03217	22.0
345.98993	26.3
351.32919	21.9
670.28223	27.7
952.97559	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23312	23.2
71.01252	85.8
71.50089	45.3
78.95799	41.3
84.00431	26.8
89.02344	42.7
89.56236	26.7
133.02878	47.8
135.04407	31.5
171.71310	31.2
173.04564	27.5
177.01816	29.6
181.07529	27.1
191.05537	64.5
201.05588	32.1
209.11800	100.0
223.70595	27.7
307.19171	29.7
871.47961	33.5
947.75159	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.1
71.01256	15.4
72.99173	2.3
73.02818	1.5
75.54219	0.5
78.95757	1.1
80.96395	0.5
81.03322	0.9
83.01250	1.9
83.04894	0.6
85.02828	3.4
87.00762	3.8
89.02312	14.0
95.01264	1.3
95.04913	0.6
97.02821	2.4
97.58070	0.6
99.00751	1.1
101.02325	11.1
101.02938	1.0
109.06413	0.7
111.08032	7.7
113.02332	5.7
119.03391	3.0
120.89703	0.5
124.40144	0.6
125.02328	4.2
137.09586	0.5
143.03394	1.9
151.34200	0.6
161.04456	2.2
162.53874	0.5
167.10687	2.4
171.10158	0.8
177.12802	1.1
179.05519	3.6
179.10695	2.1
179.14340	0.5
191.05504	0.7
195.13832	11.6
196.14268	0.7
205.15988	0.7
207.10045	0.7
209.11771	1.3
211.13382	0.8
221.06592	1.6
223.13359	5.2
225.14861	0.6
235.08159	4.3
247.20601	1.6
253.09283	0.9
255.23241	1.7
256.13107	1.3
265.21432	0.6
273.18723	1.0
275.20129	4.3
277.21796	0.7
287.07629	1.0
291.19662	88.7
292.19962	7.7
293.21219	100.0
294.21558	9.9
305.08759	1.0
317.21466	0.7
323.09818	1.0
379.12454	3.0
397.13477	34.9
398.14114	2.5
415.14560	13.1
416.14883	0.7
479.37549	0.5
481.25888	0.8
671.33069	2.6
673.34344	1.2
688.03827	0.7
689.33685	8.8
690.34418	0.8
691.35205	2.6
965.54633	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	967.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	13.8
68.02035	0.3
69.03329	3.6
71.01259	6.2
73.02819	0.7
81.03319	2.5
83.01232	0.4
83.04896	2.7
85.02834	1.9
87.00759	16.7
89.02303	0.5
90.73005	0.3
93.03339	99.7
94.03674	1.9
95.01256	0.5
97.06481	0.9
99.00772	1.7
99.04393	1.8
101.02335	1.4
109.02834	1.0
111.00767	0.5
111.04411	14.4
113.02332	1.9
115.03889	0.8
125.02321	0.4
129.01811	2.3
133.02858	1.7
134.03641	16.3
134.04677	0.8
134.05919	0.5
135.04451	2.1
137.02335	1.7
143.03448	0.6
153.01776	0.4
155.03416	3.4
161.02321	0.7
161.04500	0.6
173.04478	53.3
174.04797	1.4
177.01855	0.9
178.02670	2.8
179.03326	0.9
183.86395	0.5
188.92410	0.4
191.05530	1.4
195.66647	0.4
230.01488	0.6
231.10207	0.9
275.09299	1.4
307.11862	3.7
373.22491	0.9
415.23236	0.6
449.14511	11.9
450.14709	1.3
454.61240	0.4
481.17172	100.0
482.17490	9.1
507.22183	1.2
752.96320	0.5
773.29578	0.8
787.32544	1.2
805.32758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.3
71.01247	1.5
71.50349	0.4
72.97397	0.4
73.02823	0.8
80.04957	0.3
81.03336	6.2
83.04905	14.7
85.02832	0.7
89.02309	1.0
89.59984	0.3
92.00326	0.3
93.03338	1.0
95.01222	0.3
96.95911	0.3
100.07557	0.6
101.02307	1.1
107.06017	0.3
108.04446	0.6
113.02331	0.8
116.79320	0.3
119.04890	0.3
125.02351	0.5
125.07090	0.7
126.05500	0.6
133.02870	1.6
134.03572	1.0
135.04424	2.8
143.08159	0.3
147.15938	0.3
149.04434	0.8
155.63631	0.3
159.43280	0.3
161.02377	2.3
161.04424	0.5
173.04480	0.6
178.02614	0.4
179.03444	1.1
187.03841	0.5
191.05557	4.2
207.14987	1.1
209.08440	0.3
224.17688	2.5
225.16064	10.4
242.18680	0.9
268.16513	0.4
271.02481	0.5
275.09186	0.9
299.02045	0.4
309.21896	0.7
313.03384	0.4
324.26849	0.4
341.29272	0.9
367.27176	0.9
385.28186	0.5
401.03888	0.4
433.31711	1.1
450.34540	1.2
451.32932	9.0
452.33307	0.8
550.43292	0.8
567.45880	0.6
593.43799	0.4
676.51001	0.3
677.49786	2.2
687.09338	0.3
776.60284	0.5
885.64935	0.7
903.66571	100.0
904.66888	26.5
956.19678	0.3
963.35144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.8
71.01244	16.8
73.02802	4.9
73.80503	2.5
78.95766	5.9
83.01263	2.2
83.04881	3.3
85.02812	3.7
85.06367	2.3
89.02312	18.2
98.19773	5.0
101.02303	10.3
113.02325	7.1
116.92725	7.6
119.03367	2.7
125.02328	6.1
148.12117	2.0
149.04446	4.5
161.04411	4.7
163.11137	3.1
165.12694	2.4
179.05573	4.1
185.45380	2.4
195.95468	2.1
209.11769	100.0
210.12080	8.6
227.12825	11.5
235.08090	2.4
237.14836	6.7
255.23294	48.3
256.23541	5.7
277.21530	2.8
287.07758	2.6
305.08875	2.3
305.31305	2.5
323.09781	2.6
379.12436	15.3
397.13501	44.6
398.13641	3.0
415.14557	6.0
440.97653	2.5
540.39563	2.7
589.24780	4.1
607.25964	3.8
635.36792	3.2
653.37860	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	958.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95598	50.4
79.96053	44.3
85.74323	42.7
98.19823	100.0
105.20780	49.0
106.69424	46.7
138.22171	45.0
199.60132	62.3
206.92738	51.7
242.75734	52.5
262.35889	60.8
299.28540	53.5
465.74777	54.8
497.50095	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31891	15.2
71.01258	77.9
71.49619	26.4
75.00768	20.6
78.95788	64.4
80.96384	35.4
88.98714	43.1
89.02287	27.3
101.02319	44.3
171.10242	47.8
209.11798	21.5
211.13312	48.6
253.21548	49.0
255.23268	51.8
327.21738	74.0
370.98868	20.7
397.13382	100.0
415.14484	43.2
427.09903	20.9
529.42517	18.9
960.50183	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05315	0.3
68.99687	0.4
69.03343	1.8
70.06634	1.4
71.01254	17.6
71.87309	0.3
72.99173	1.8
73.02817	2.5
74.10426	0.3
75.00768	0.4
76.38810	0.3
80.96384	0.3
81.03348	0.8
83.01257	1.9
83.04922	0.7
85.02824	10.2
87.00748	3.7
89.02320	13.7
93.03389	0.4
95.01277	1.1
95.04942	0.5
96.94991	0.3
97.02825	3.8
97.06467	2.2
98.19839	0.5
99.00751	0.9
101.02323	13.0
109.02855	0.4
109.06503	0.3
111.00780	0.4
111.04382	0.7
113.02326	7.1
113.97930	0.3
119.03383	3.1
123.08041	0.3
125.02335	4.7
125.09634	0.8
127.03891	0.4
127.11190	1.0
131.03430	0.8
133.04851	0.3
137.09618	2.1
139.03896	0.3
143.03398	1.8
145.04840	0.3
149.04460	0.4
155.10695	0.6
161.04439	2.4
165.12820	0.5
167.14273	0.7
171.10179	21.1
172.10506	0.8
175.90915	0.3
177.12761	0.4
179.05528	3.0
183.13869	2.2
185.04483	0.4
185.11728	0.8
193.12428	0.7
197.11732	0.5
199.06071	0.3
201.11246	1.0
203.10797	0.3
209.11771	1.5
211.13333	10.6
212.13739	0.5
213.11209	0.3
217.07120	0.4
221.06598	1.0
221.11725	2.0
229.14412	8.4
230.14548	0.3
235.08209	4.9
239.12840	1.6
247.20605	0.5
253.09247	0.8
255.23270	37.2
256.23596	2.3
263.07693	0.7
271.71912	0.3
287.07660	1.2
291.19595	3.8
305.08905	1.4
309.20691	7.8
310.21149	0.4
323.09827	0.9
327.21759	100.0
328.22107	7.4
379.12357	0.8
386.21518	0.3
397.13483	52.6
398.13773	3.0
414.22437	0.3
415.14563	14.7
416.14871	1.1
545.29907	0.3
565.45074	2.2
566.44751	0.4
653.37555	5.3
654.37750	0.6
707.34991	6.1
708.35419	1.1
725.36053	3.3
726.36371	0.4
963.58514	1.9
964.58282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07990	4.7
71.01248	10.8
73.02812	7.6
78.95780	5.0
80.96371	11.9
85.02824	4.6
89.02321	7.6
95.03365	4.4
97.02833	5.9
98.19774	9.5
99.92453	7.6
109.06451	5.1
113.02308	4.8
114.93262	6.7
116.92754	100.0
179.05380	4.9
183.16394	4.3
191.05408	5.1
207.10220	11.2
208.10562	6.0
209.11731	15.0
227.12714	5.3
277.21817	20.2
278.22003	7.5
397.13388	12.5
398.13647	6.8
506.74109	4.4
617.37976	4.5
720.33228	4.3
883.38611	4.4
886.48358	7.3
946.47705	7.4
957.88696	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	947.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.5
69.31413	2.9
71.01253	6.5
72.99226	0.5
73.02824	1.0
74.68938	0.4
77.03808	0.3
79.01759	0.4
81.03339	0.4
83.01253	0.7
85.02814	1.8
85.27955	0.3
87.00742	0.6
89.02312	6.4
89.03868	0.6
93.03345	0.5
95.01258	0.7
97.02816	0.9
99.00729	0.4
101.02323	4.7
105.03365	0.5
107.01309	0.4
109.02760	0.4
113.02328	5.2
117.03329	1.0
119.03388	3.4
123.04411	2.9
125.02354	2.3
131.03401	0.7
132.02046	2.5
133.02847	44.9
134.03271	1.5
135.04416	14.4
136.04747	0.8
136.97749	0.4
143.03424	0.8
153.05461	2.8
160.01563	0.5
161.02350	100.0
162.02687	4.0
179.03416	3.3
179.05562	0.8
191.05464	0.8
202.24155	0.3
203.03441	0.4
274.88037	0.3
315.11154	0.5
323.07938	0.3
446.05426	0.4
459.15036	0.8
461.16562	0.8
477.16180	1.8
623.21954	6.0
624.22424	0.7
785.25183	18.6
786.25769	2.0
928.65417	0.4
947.30322	18.0
948.30768	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	948.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	41.1
78.95802	16.4
84.20446	12.0
89.02277	14.7
96.95844	15.2
98.20600	24.0
118.95828	11.1
125.63300	11.2
129.06410	12.9
136.08459	10.8
161.02405	11.8
171.10190	19.4
185.97406	11.1
209.11736	100.0
214.51788	11.2
225.11165	12.6
227.12808	24.7
241.41803	11.4
253.09323	13.0
255.23228	24.4
277.21680	15.7
293.21170	14.3
397.13324	16.4
464.97842	11.5
497.74258	12.8
555.59619	13.9
698.29968	13.2
948.55731	58.5
949.55365	13.4
957.03632	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	949.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.9
69.07086	0.2
70.25813	0.7
70.76559	0.2
71.01252	14.4
72.99173	1.4
73.02820	2.3
75.00737	0.4
75.03954	0.2
80.57625	0.2
81.03324	0.9
83.01266	1.9
83.04903	0.5
85.02818	2.9
87.00748	3.3
89.02318	11.9
91.03888	0.3
93.03328	0.3
93.51234	0.2
95.01250	0.9
95.04926	0.2
97.02824	2.6
97.06464	0.4
99.00740	1.2
99.04363	0.2
101.02321	11.2
102.02704	0.2
109.02820	0.3
111.00785	0.3
111.04382	0.6
113.02328	5.2
113.09608	1.7
115.03862	0.4
119.03387	3.8
121.02824	0.5
121.83549	0.2
125.02339	4.7
126.02680	0.3
131.03389	0.5
133.04932	0.4
139.03932	0.4
141.01823	0.4
143.03412	2.4
149.02374	0.2
149.04440	0.5
161.02385	0.2
161.04462	2.8
167.03409	0.4
169.04887	0.2
169.12128	0.3
171.10120	0.2
177.12619	0.4
179.05540	2.5
179.14328	0.9
181.12257	0.6
185.04478	0.3
195.13831	13.7
196.14191	0.6
199.06050	0.3
209.11673	1.0
217.07062	0.3
221.06520	1.0
235.08186	5.8
245.06583	0.5
253.09229	0.9
255.23268	32.8
256.23590	2.7
263.07681	0.5
269.24817	0.3
277.09250	0.3
277.21722	12.8
278.21967	1.0
287.07730	2.0
295.22766	100.0
296.23111	8.2
305.08762	2.4
323.09839	0.9
341.29816	0.2
361.11411	0.2
379.12491	0.6
397.13483	64.0
398.13815	4.3
415.14575	18.5
416.15005	1.2
498.91562	0.2
653.37476	5.4
654.37610	1.1
949.55994	0.8
950.55292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84491	6.7
71.01254	100.0
72.01599	1.4
72.99178	5.2
73.02821	27.9
75.00755	1.8
83.01262	11.8
85.02824	43.0
87.00750	7.1
88.83061	1.1
89.02319	52.3
93.03332	4.8
95.01277	8.3
97.02839	4.0
99.00761	9.7
101.02323	71.1
102.02654	2.4
113.02335	41.4
119.03397	20.1
119.04822	1.2
125.02385	1.8
129.01808	2.1
131.03349	2.9
133.02835	2.6
134.03612	2.4
135.04378	2.6
143.03421	9.1
149.02388	1.5
149.04424	3.9
158.13562	1.1
159.02890	5.0
161.02338	3.2
161.04465	34.3
173.04431	4.7
177.01892	1.6
178.02621	1.9
179.05537	24.0
191.05562	9.3
192.05847	1.5
231.10223	1.2
246.78044	1.1
275.09326	2.2
283.02573	1.3
293.10364	1.2
355.21161	4.3
373.22299	85.2
373.73282	1.4
374.22705	6.8
383.31268	1.3
402.22256	1.5
415.23383	81.0
416.23813	9.0
417.21289	10.6
418.21786	1.6
449.14774	1.4
459.22290	1.6
611.83130	1.5
629.22083	1.5
972.72797	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	944.484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57994	7.7
71.01258	35.5
71.49161	7.8
71.49648	12.4
74.03185	8.2
87.00770	11.8
88.98723	8.9
89.02300	20.8
101.02310	21.3
113.02316	16.1
163.71149	10.1
179.05518	10.2
195.13730	10.9
206.12582	12.6
209.11723	16.0
223.13373	100.0
224.13683	39.5
225.14001	25.2
255.23213	11.5
277.21652	55.4
278.21976	41.0
279.22281	18.3
341.60095	10.2
397.13336	24.4
398.13666	11.9
399.13812	24.3
477.56012	9.8
489.13309	10.0
605.26654	18.9
623.28333	12.8
657.28485	10.7
944.45465	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	944.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	6.4
71.01247	38.6
72.99178	7.1
75.00753	5.9
80.96382	30.0
83.04877	6.6
85.02809	14.5
87.00719	11.1
89.02307	27.8
94.97943	8.0
97.02817	14.7
99.00741	5.5
101.02339	33.3
103.17677	4.8
109.06469	41.8
113.02329	11.2
125.02281	12.7
135.08032	10.2
143.03413	5.5
163.11150	21.0
164.11563	7.8
164.98547	8.7
179.05536	5.9
179.10629	6.1
181.12248	6.0
190.93173	5.1
207.10179	100.0
208.10506	30.1
209.11729	19.1
225.00647	13.0
225.11301	34.9
226.11496	13.0
229.15038	7.2
235.08205	11.3
255.23181	8.4
277.19000	6.3
277.21701	70.4
278.22049	42.3
296.79831	4.9
379.12305	7.6
397.13409	61.1
398.13705	21.1
415.14438	10.3
476.54810	5.7
605.23389	6.0
656.39368	5.0
877.04633	5.1
883.46515	6.2
884.47211	91.7
945.47180	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	941.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	10.7
69.03328	3.7
71.01257	68.2
71.50597	2.6
72.99178	1.5
73.02822	61.4
75.00759	1.7
79.10561	1.3
81.03338	2.2
83.01262	17.2
83.04894	3.9
85.02843	12.5
87.00764	16.8
89.02324	22.9
93.03341	85.4
94.03674	1.9
95.01260	3.4
99.00754	2.6
99.04393	2.7
101.02330	65.4
111.04398	11.3
111.26249	1.7
113.02341	32.1
117.75969	1.6
119.03413	11.2
131.03366	6.8
133.02826	3.5
134.03639	19.0
135.04398	3.8
137.02344	2.2
143.03415	7.4
149.04482	13.0
150.03154	1.6
155.03391	4.2
161.02342	2.3
161.04480	23.9
165.05486	1.5
165.78999	1.8
166.48816	1.7
173.04486	68.3
174.04774	2.4
177.01842	2.8
178.02626	4.0
179.05537	4.8
189.12784	100.0
190.13115	7.2
191.05559	8.1
203.05536	2.7
209.11574	1.5
221.06554	7.3
239.06741	1.7
241.50790	1.9
275.09253	3.6
299.02078	1.6
307.11761	6.9
373.22192	10.6
415.23315	8.7
449.14517	11.2
481.17163	98.6
482.17508	14.3
899.17963	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	935.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.8
69.12432	1.6
71.01251	100.0
71.50278	3.1
72.01582	1.9
72.99187	1.7
73.02804	5.2
80.26781	1.6
81.03320	2.4
83.01249	3.4
83.04913	3.2
85.02843	9.8
87.00737	7.7
89.02312	20.7
91.32230	1.9
95.01259	4.3
95.04836	2.3
96.95883	6.0
97.02808	4.1
99.00756	2.8
101.02309	19.2
109.06454	6.5
111.08038	2.0
113.02343	13.2
116.92757	2.5
117.01839	1.8
119.03384	4.6
121.02876	2.2
125.02330	7.8
125.09598	3.5
127.11169	4.0
131.03477	1.8
132.16385	1.7
135.04417	3.4
137.09590	3.0
143.03430	2.6
155.10645	2.5
161.02292	4.9
161.04489	5.0
163.11172	2.7
165.12720	2.6
171.08775	3.1
171.10179	47.3
172.10480	2.8
179.03381	2.6
179.05495	6.0
181.12177	3.7
183.40085	1.7
191.05457	2.3
195.13943	8.5
197.11729	2.2
199.09637	11.6
201.11272	43.4
202.11551	2.5
207.10127	14.9
209.11792	37.1
210.12067	4.7
211.13287	2.2
221.06721	3.3
221.15442	2.0
223.13287	5.1
225.11354	20.4
226.11496	3.1
227.12691	4.1
228.13478	2.2
229.08575	2.2
235.08153	4.6
243.12369	2.8
245.19243	1.6
253.09119	2.6
269.25784	2.0
275.20102	5.1
291.19666	29.2
292.20053	2.4
293.21207	89.1
294.21469	5.5
305.08710	2.1
309.20709	5.3
310.21188	3.6
379.12387	2.9
397.13419	35.4
397.21265	2.1
398.13727	4.2
415.14615	18.4
416.14780	1.9
421.70981	1.9
579.23792	2.2
597.22974	1.9
623.26184	2.1
638.93738	1.6
801.04620	2.0
873.44299	3.5
899.46356	7.4
900.46667	3.1
917.48419	3.1
935.48553	16.2
936.47693	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	933.507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.71191	0.9
69.03336	1.5
71.01250	29.4
71.49324	1.0
71.49715	1.2
72.01594	0.9
72.99178	2.2
73.02811	4.4
78.95783	2.1
81.03316	2.5
83.01263	3.5
83.04902	6.1
84.02056	1.3
85.02811	5.0
85.74833	1.1
87.00741	5.5
89.02316	14.1
93.03339	1.2
95.01237	1.7
95.04939	1.1
96.95927	1.4
97.02817	3.1
99.00764	2.0
101.02316	12.1
109.02818	0.9
109.06499	1.2
111.04441	1.1
111.08019	1.5
113.02359	7.9
113.03033	1.6
118.09391	0.8
119.03374	4.4
121.45111	1.0
125.02325	4.6
125.09631	1.1
133.02832	3.7
135.04419	3.3
135.08087	1.2
137.02316	1.1
143.03377	3.1
149.04456	1.6
161.02353	5.6
161.04439	3.1
163.11191	5.0
165.12737	1.7
171.10172	5.6
179.03404	3.2
179.05513	4.6
179.14355	1.4
181.12282	1.1
183.10226	0.9
185.11813	1.1
187.07553	1.0
191.05554	2.7
195.13815	8.2
197.11836	2.2
201.11192	1.3
207.10204	3.9
209.11763	88.4
210.12148	7.0
211.13409	6.0
221.06668	1.4
223.13359	6.0
225.11319	5.1
227.12828	15.3
228.13405	1.3
235.08127	5.0
253.09167	1.3
259.15237	1.0
275.20145	6.2
291.19620	3.8
291.45218	1.2
293.21219	100.0
294.21552	6.9
305.08658	1.3
309.20728	4.0
311.21899	1.1
323.09967	1.7
327.21768	3.3
379.12439	4.2
397.13452	35.9
398.13724	3.3
415.14545	16.5
518.29370	1.1
607.26044	3.6
673.34662	1.3
691.34937	3.6
822.69403	1.1
902.18817	1.1
915.44873	2.1
933.46509	5.0
934.46039	1.7
956.30829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49806	0.6
72.53880	0.6
79.64207	0.5
81.00782	0.6
83.01272	0.9
99.06364	0.6
107.01264	2.2
108.02049	1.2
109.02863	0.8
111.27081	0.5
121.02847	1.7
134.03636	0.8
135.04379	0.7
138.01840	0.9
145.49661	0.6
148.01526	0.6
149.02315	0.7
151.00275	9.8
161.02367	0.8
163.00240	1.4
169.01266	0.7
173.04425	0.6
178.99779	3.8
191.05502	1.6
199.03944	0.6
226.02696	0.9
227.03418	1.8
243.02986	7.3
244.03642	0.7
245.04549	1.3
254.02165	1.7
255.02969	19.1
256.03296	1.6
265.08026	0.6
271.02472	39.0
272.02933	3.3
275.04419	0.7
298.00980	0.8
299.02026	2.0
300.02737	93.8
301.03455	33.9
301.07001	1.1
302.03912	2.5
343.04678	1.0
479.91278	0.7
609.14594	100.0
610.14984	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	933.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62018	2.0
69.03330	4.8
71.01248	67.0
72.08068	2.2
72.99182	2.9
73.02825	8.7
73.34986	2.3
75.21540	2.2
78.95781	8.6
79.95583	2.7
80.96397	3.8
83.01254	5.1
85.02830	8.4
87.00750	6.3
88.85196	2.0
89.02322	22.1
95.01238	2.5
97.02832	7.1
99.00751	4.8
101.02319	25.0
109.06486	4.2
111.04427	2.5
113.02293	15.2
119.03412	6.8
125.02334	11.8
127.11157	4.7
134.04611	7.2
143.03372	5.0
152.99455	2.9
155.10669	5.0
161.04480	5.0
163.11162	5.6
171.10175	38.8
179.05565	5.4
181.12303	4.2
199.09700	19.9
199.13423	4.4
201.11258	44.5
207.10178	18.3
209.11768	7.5
215.12752	2.3
217.07336	2.1
221.06763	2.3
225.11304	29.8
227.12759	3.2
229.23541	2.3
235.08171	6.6
241.01250	4.7
243.12347	5.8
255.23254	100.0
256.23532	8.7
305.08636	3.0
379.12469	8.9
397.13458	71.3
398.13708	5.4
415.14563	13.0
579.22644	3.7
605.24127	4.6
623.25494	3.5
635.37079	3.1
653.37305	7.4
817.45569	3.5
835.46686	19.0
836.46991	3.1
843.45282	9.7
861.48444	26.5
862.48853	7.5
879.50122	13.7
880.49786	3.7
897.50677	38.1
898.50946	6.9
933.47687	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	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47006	9.5
69.02621	12.9
70.96986	13.9
70.97328	21.5
71.01253	100.0
71.76373	11.2
85.02869	10.3
89.02314	34.7
90.10885	10.3
97.68177	11.2
101.02307	24.6
109.06436	21.2
116.36317	11.4
116.92738	39.6
127.39978	11.7
129.42717	13.5
171.10143	34.4
193.93695	10.9
207.10136	42.5
208.10564	15.8
225.11261	24.3
255.23271	49.0
256.23666	24.9
257.23956	14.3
283.26514	59.7
384.13184	12.3
397.13367	41.9
398.13577	13.4
399.13733	15.4
682.76849	13.7
864.49347	45.1
925.53345	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	924.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61539	7.7
66.87326	6.3
69.16296	84.0
69.85973	6.4
71.01246	28.1
72.04329	6.2
77.80753	6.2
89.02359	14.8
97.02822	10.9
99.00791	9.6
101.02308	18.0
113.02367	9.4
116.92742	15.7
125.02325	11.0
129.92822	7.2
161.04478	10.8
207.10181	12.7
208.10497	7.9
209.11757	100.0
210.12106	24.4
211.60431	7.0
225.11209	22.5
226.11560	18.0
227.12820	13.8
243.12215	10.0
255.23282	79.6
256.23517	38.9
257.24100	7.2
379.12399	12.7
397.13672	38.1
398.13800	9.1
399.14087	11.2
399.32840	7.4
415.14664	8.9
490.69992	8.2
654.37811	13.9
699.21045	7.9
863.49768	12.3
864.49402	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98546	22.7
71.01244	74.5
71.41306	46.2
78.95797	40.0
80.96375	36.1
100.26141	25.6
174.54988	27.1
177.47255	24.9
209.11713	100.0
255.23274	30.5
277.21637	89.5
299.25119	25.4
397.13333	55.5
665.32050	27.1
678.31543	33.2
731.77032	27.9
769.85596	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	30.6
94.02056	26.8
98.19787	84.8
113.13936	26.0
118.02469	23.9
147.34703	27.1
209.11771	100.0
210.12117	34.2
229.47400	32.5
255.23230	32.0
397.13602	39.0
542.40466	30.3
635.92877	31.7
786.24487	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.504
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12949	5.1
71.01256	16.3
71.49812	7.7
74.33793	5.5
78.95800	8.9
89.02334	11.9
106.29681	5.7
108.82842	5.5
113.02337	9.7
120.49258	5.9
124.46734	5.2
164.37352	5.2
165.13829	6.4
179.05579	6.4
199.93660	5.8
203.39572	5.9
209.11768	100.0
210.12173	10.3
217.07344	5.9
227.12843	26.3
235.08261	6.3
255.23257	51.1
257.27151	7.6
309.37308	5.5
379.12558	22.3
397.13525	65.0
481.53162	6.5
589.25000	10.8
607.25800	6.8
635.37140	6.9
653.37537	20.5
845.49603	10.1
929.17029	6.9
931.50256	56.1
932.50391	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	923.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91695	0.5
69.03320	0.8
71.01250	16.6
71.01623	1.1
71.20493	0.8
71.20819	0.9
72.99175	1.7
73.02827	2.0
77.50095	0.5
79.56577	0.5
80.02540	1.2
81.03325	1.7
83.01263	1.9
83.04886	3.8
84.02022	0.9
85.02818	3.3
87.00750	4.0
89.02315	10.6
95.01258	0.9
95.04938	0.6
97.02831	2.9
99.00751	0.8
101.02317	13.1
101.38155	0.7
109.06461	1.0
113.02322	6.6
116.92712	1.5
119.03395	2.4
125.02343	5.0
131.03400	0.7
133.34676	0.6
143.03394	2.3
161.04472	3.5
163.11211	4.1
165.12769	2.3
179.05573	3.7
185.04446	0.5
191.10669	0.7
199.06039	0.9
207.10208	2.5
208.10445	1.4
209.11771	100.0
210.12082	4.9
213.89047	0.5
217.07022	1.1
221.06485	0.6
225.11255	1.6
226.11743	0.8
227.12877	10.3
235.08165	5.4
255.23260	57.0
256.23660	4.6
259.08279	0.6
269.24881	1.0
287.07767	1.5
305.08856	1.4
323.09814	1.6
324.16763	0.6
379.12482	13.7
380.12845	1.0
397.13480	42.1
398.13678	3.6
399.14413	0.6
415.14594	5.1
589.25305	2.9
607.26117	2.9
626.81891	0.7
635.36566	2.8
653.37579	5.3
766.33173	0.6
863.49286	3.2
885.56073	0.6
928.24408	0.8
930.80194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	15.4
71.41410	3.1
73.02797	2.5
80.96411	3.1
82.69414	2.2
83.04881	6.0
85.02859	5.7
87.00775	4.9
89.02325	13.6
96.95844	2.7
99.00710	2.2
101.02316	15.7
113.02332	9.7
116.92746	15.9
119.03389	2.8
125.02317	7.0
161.04488	4.9
209.11769	100.0
210.12177	4.6
211.07710	2.9
227.12802	12.0
235.08217	3.0
247.13319	3.6
255.23288	59.3
256.23557	4.4
277.21902	3.5
356.82913	2.8
379.12436	14.9
397.13437	47.0
398.14072	3.3
415.14618	7.0
583.28046	2.5
635.36279	3.7
653.37390	3.7
923.43964	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	923.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00166	0.5
68.99680	0.1
70.63362	0.2
70.63742	0.2
71.01261	0.3
78.95801	0.1
79.38516	0.1
79.45437	0.1
83.01245	0.3
85.02837	0.2
89.00193	0.1
89.19114	0.1
92.20176	0.1
93.03339	0.4
95.01246	0.2
96.95893	0.2
101.02361	0.1
107.01265	0.9
108.02080	0.1
109.02831	0.8
113.02326	0.2
119.04953	0.1
131.04926	0.2
133.02852	2.2
134.03557	0.1
135.00763	0.2
135.04408	1.2
143.04904	0.7
145.02832	0.2
147.00777	0.2
147.04413	0.3
148.01587	0.1
149.02298	0.1
151.00290	1.1
151.03900	0.1
155.04919	0.5
157.02890	0.5
159.04338	0.2
161.02354	2.0
162.02721	0.1
169.01440	0.2
169.02953	0.1
170.03592	0.1
171.04430	2.0
173.02383	0.5
173.04515	0.2
175.03929	1.4
178.50949	0.1
179.03455	1.0
182.03596	0.2
183.04448	0.3
185.02354	0.2
187.03888	1.1
189.01862	0.1
189.05510	0.2
191.05571	0.4
197.02354	0.5
198.03174	0.5
199.03931	4.6
200.04245	0.3
201.01884	1.8
203.03401	0.5
209.11710	0.1
211.03827	0.1
213.01917	0.2
214.02646	0.3
215.03442	1.7
216.03867	0.1
225.01866	0.1
226.02693	0.9
227.03429	2.6
228.03777	0.2
229.01324	0.2
231.03023	0.1
241.01340	0.2
242.02229	0.5
243.02940	3.3
244.03300	0.2
255.02969	1.9
256.03372	0.1
271.02466	42.0
272.02808	2.4
275.09271	0.2
282.01675	0.4
282.19257	0.1
283.02338	0.5
299.01947	100.0
300.02405	9.6
301.03214	0.5
447.85709	0.1
484.51645	0.1
621.18530	0.5
623.19867	0.9
624.20331	0.1
646.15594	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	923.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00178	0.7
70.16440	0.6
71.01250	0.3
71.94469	0.1
79.95592	0.2
83.01283	0.4
85.02810	0.2
85.12097	0.1
89.02316	0.2
91.01790	0.2
93.03329	0.2
96.95869	0.2
107.01270	1.1
109.02804	1.0
113.02335	0.2
121.02855	0.1
125.02363	0.1
131.04926	0.2
133.02834	2.5
135.00760	0.4
135.04414	1.0
143.04921	1.1
145.02873	0.2
147.00766	0.4
147.04416	0.2
148.01541	0.2
149.02415	0.2
149.04607	0.1
150.03087	0.2
151.00261	1.5
151.03893	0.1
155.04910	0.4
157.02841	0.6
159.04442	0.2
161.02336	1.6
161.05885	0.1
163.03923	0.3
165.05540	0.1
171.04425	2.2
171.05823	0.1
173.02368	0.5
173.04477	0.2
175.03923	1.3
178.99783	0.2
179.03476	0.7
182.03737	0.2
183.04443	0.4
185.02400	0.2
186.65611	0.1
187.03891	1.2
191.05504	0.6
197.02406	0.4
198.03114	0.5
199.03951	4.8
201.01865	1.4
203.03452	0.5
206.74052	0.1
209.11755	0.2
213.01764	0.2
214.02658	0.3
215.03438	2.4
216.03700	0.2
225.02025	0.2
226.02689	1.0
227.03459	2.5
228.03822	0.3
234.75000	0.1
241.01440	0.2
242.02153	0.6
243.02982	4.1
244.03387	0.2
254.02209	0.2
255.02934	1.9
271.02466	43.0
272.02811	2.7
282.01703	0.5
283.02371	0.3
299.01947	100.0
300.02417	9.0
301.03320	0.4
567.35712	0.1
621.18433	0.5
623.19843	0.8
655.65961	0.2
712.10565	0.2
720.31146	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	919.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63242	2.7
67.80779	2.9
69.03316	3.5
71.01260	21.4
73.13695	2.5
85.02829	6.5
87.00786	4.5
88.76627	2.4
89.02319	17.2
89.35481	2.9
97.02875	3.3
101.02330	13.6
102.00035	2.5
113.02332	8.8
116.92746	9.1
119.03444	4.2
125.02307	4.9
134.52853	2.9
138.36368	2.2
179.05525	5.5
195.13853	7.4
205.12265	4.9
223.13367	100.0
224.13762	6.2
235.08267	3.9
255.23273	65.2
256.23672	4.5
379.12497	14.1
397.13498	60.7
398.13730	2.9
415.14481	8.9
603.26703	9.8
621.27185	5.9
635.37299	3.2
653.37762	9.2
859.50757	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	921.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73731	0.7
69.03323	1.1
70.81693	1.7
70.82066	1.3
71.01249	15.9
71.04893	1.5
72.99169	1.6
73.02808	2.9
81.03329	0.9
83.01244	3.0
83.04874	0.9
85.02821	4.8
87.00748	5.8
89.02315	8.8
93.57361	0.7
95.01274	1.2
95.04893	1.1
95.99330	0.8
97.02825	11.2
97.06445	2.1
99.00757	20.5
99.04374	0.7
101.02322	8.4
109.06442	2.6
110.03601	0.9
111.04420	1.0
113.02322	4.8
116.92718	2.3
119.03360	2.1
123.08050	1.6
125.02335	6.4
125.09595	6.0
135.08054	1.8
136.05142	1.6
137.79561	0.7
142.02576	2.6
143.03374	1.6
145.02824	0.9
159.98065	0.8
161.04430	1.9
163.03914	0.8
163.11194	9.9
179.05466	1.8
181.12259	18.0
182.12697	0.8
197.11601	0.7
199.13268	2.3
207.10205	48.6
208.10513	2.3
209.11743	1.4
225.11279	75.2
226.11618	4.3
235.08167	3.0
243.12346	23.5
244.12682	1.4
255.23267	68.5
256.23618	6.1
263.07745	0.9
317.15988	0.9
340.45874	0.7
379.12314	2.5
397.13535	10.7
398.13901	1.1
415.14423	2.2
605.24500	19.0
606.24780	2.8
623.25500	6.9
624.25482	1.1
653.37238	1.2
717.44196	1.0
861.48480	100.0
862.48846	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	919.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22498	1.6
69.22849	21.9
71.01252	67.8
73.02816	22.9
83.01257	13.4
85.02822	35.3
87.00758	7.0
89.02311	8.8
93.03340	16.8
95.01268	5.6
96.95858	2.5
97.02826	3.1
99.00723	9.6
101.02325	48.3
111.04424	2.8
113.02337	28.3
119.03374	2.6
119.04893	2.2
125.02328	4.1
133.02844	15.5
134.03658	3.9
135.04375	10.2
143.03369	2.6
149.04445	8.4
159.02950	4.8
161.02388	11.3
161.04474	24.7
173.04462	12.4
177.01836	5.1
179.03448	6.8
191.05525	48.4
191.07164	3.5
192.05853	2.6
271.02374	2.5
275.09137	4.2
299.02100	2.7
353.08698	4.7
355.21201	4.4
361.83218	2.4
373.22311	100.0
374.22751	6.5
415.23328	95.5
416.23807	10.8
417.21207	3.9
449.14444	3.4
459.22113	2.4
481.17224	11.1
623.15930	7.1
650.25061	2.1
787.29877	2.5
836.07703	2.1
877.09528	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	919.455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	2.0
71.01260	71.2
71.50533	3.3
72.01598	2.3
72.99167	3.7
73.02824	29.3
75.91755	1.8
76.53445	2.1
79.89204	2.1
83.01258	12.5
85.02828	35.9
87.00777	2.9
89.02336	14.6
93.03342	11.1
95.01273	6.9
96.95883	3.0
99.00742	9.7
101.02330	61.1
111.04431	4.4
113.02338	30.8
119.03362	4.1
123.04382	2.8
133.02884	16.8
134.03638	6.2
135.04407	9.7
137.02361	4.1
143.03389	4.4
144.95699	2.2
149.04453	4.9
149.44820	2.4
155.03343	2.3
159.02852	4.8
161.02328	9.2
161.04492	30.5
173.04492	10.1
177.01817	4.4
178.02669	3.9
179.03387	9.0
191.05586	19.7
196.35464	2.4
229.08745	2.3
245.80432	2.1
255.24774	2.4
275.09195	3.0
299.01920	5.5
356.21378	2.6
373.17609	3.2
373.22318	88.2
374.22812	10.3
415.23398	100.0
416.23718	11.5
417.21198	9.3
449.14395	2.7
481.17105	6.4
623.16821	2.6
786.31940	2.8
919.35260	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.5
71.01253	100.0
71.49281	1.2
72.01582	1.4
72.99167	2.8
73.02819	4.0
78.95781	1.9
80.96402	2.2
81.03348	1.1
83.01241	1.8
83.48412	0.9
85.02840	5.7
87.00745	4.3
89.02322	17.2
95.04858	1.2
96.95890	1.3
97.02849	4.9
98.93764	1.1
99.00777	2.5
101.02324	11.5
108.58770	1.0
109.06479	4.6
113.02315	8.0
116.92785	1.2
119.03371	4.2
125.02334	4.7
125.09617	1.7
127.11167	2.6
137.09653	1.6
143.03392	3.3
155.10640	1.4
161.04483	4.4
163.11191	3.4
171.10182	57.1
172.10609	2.1
179.05527	3.3
181.12277	2.1
191.05722	1.3
199.09711	10.2
201.11246	15.6
207.08406	1.3
207.10228	16.6
209.11642	2.3
211.13318	1.7
221.06593	1.9
225.09247	1.4
225.11295	13.2
235.08185	4.6
243.12273	2.5
253.09254	2.7
277.21707	48.1
278.22018	5.5
287.07681	1.9
305.08908	1.0
323.09650	1.4
379.12405	3.2
397.13455	30.9
398.13885	1.8
400.07565	1.2
415.14325	6.7
579.22925	1.4
597.23993	2.8
605.25385	1.2
623.25323	3.6
750.81885	1.2
868.02032	1.5
883.47021	5.8
884.47784	3.0
901.47162	2.5
919.48389	13.4
920.48798	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	919.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.8
69.03304	1.4
71.01253	100.0
72.01585	1.2
72.99165	1.8
73.02817	4.1
78.95768	1.7
80.96400	1.8
81.03339	1.4
83.01259	1.6
85.02833	6.3
87.00738	6.3
89.02318	16.0
95.01270	1.4
97.02818	5.0
98.20609	1.6
99.00755	2.5
101.02319	14.9
109.02808	1.1
109.06482	5.3
113.02317	8.3
119.03397	5.1
119.04783	0.8
125.02337	7.6
125.09586	2.2
127.11153	3.3
135.04462	0.9
142.02579	0.9
143.03348	2.7
154.37328	1.0
155.10649	1.2
161.02338	1.4
161.04442	3.2
163.11200	3.6
164.98683	0.9
171.10184	47.9
172.10507	2.2
179.05585	4.2
181.08664	1.0
181.12242	2.0
191.05547	1.4
199.09715	9.1
199.13364	2.2
201.11282	10.6
207.10225	16.1
209.11681	1.8
211.13295	1.0
221.06569	1.4
225.11304	11.6
229.45488	1.1
235.08151	6.4
243.12479	1.6
253.09277	1.8
277.21722	54.4
278.22116	5.3
287.07755	1.3
294.21460	0.9
305.08661	1.2
379.12344	5.5
397.13489	34.8
398.13794	3.1
415.14502	8.5
416.42139	1.0
605.24615	2.4
675.37640	1.2
683.40155	0.9
784.15216	1.0
857.45587	1.8
883.46948	9.2
884.47070	3.0
901.47729	2.5
919.49243	14.3
920.49170	4.6
944.11395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	3.7
69.53300	6.0
69.70822	0.8
71.01250	79.6
72.01588	2.0
72.99171	4.2
73.02816	89.8
74.03149	2.1
75.00739	2.2
78.11177	0.8
78.95853	0.8
83.01254	31.3
84.01616	0.8
85.02821	12.3
87.00767	3.0
89.02315	19.4
93.03368	1.3
95.01272	4.0
96.95889	1.4
97.02847	1.5
98.19787	1.5
99.00742	2.6
101.02317	100.0
102.02644	3.0
113.02325	39.8
114.02670	1.8
119.03381	15.0
125.02344	4.2
131.03394	12.1
133.02835	2.9
134.03624	1.6
135.04398	1.0
137.02318	1.2
143.03397	12.6
147.02896	1.5
149.04457	26.8
150.04773	0.9
152.03415	1.4
155.03445	4.2
155.04568	0.7
159.04552	1.0
161.02505	4.0
161.04454	39.4
162.02692	0.8
162.04770	2.3
163.03905	1.1
179.03358	1.3
179.05563	1.3
191.05571	6.4
192.05840	1.1
193.26035	0.8
203.05542	4.5
221.06598	16.0
239.29086	0.8
271.02411	0.8
293.08945	1.2
299.02100	1.5
373.22250	1.4
399.55148	1.0
415.23352	7.3
623.20300	1.0
748.42303	1.0
788.31799	1.1
919.30438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	0.6
69.03323	1.6
71.01251	35.8
71.04879	0.7
71.80440	0.4
72.99172	2.2
73.02820	6.8
75.00736	0.9
78.95752	0.5
80.02554	0.6
80.96387	0.6
81.03315	1.8
83.01255	1.9
83.02554	0.5
83.04890	2.6
85.02818	7.4
87.00754	6.6
88.98610	0.6
89.02312	15.3
93.03318	0.7
95.01256	2.4
95.04912	2.5
96.95896	1.4
97.02842	4.6
97.06454	1.3
99.00773	2.8
99.04401	0.7
101.02319	16.5
102.81142	0.5
107.04899	0.5
109.02782	0.6
109.06471	4.6
111.00736	0.6
111.04374	1.2
111.08022	1.9
113.02329	10.1
116.92747	1.3
119.03374	4.7
121.02817	0.6
121.06538	0.6
123.00708	0.5
123.04392	0.8
123.08040	0.6
125.02339	6.6
125.09615	2.3
127.11209	3.1
131.03371	1.3
135.04391	0.9
135.08020	1.1
136.05223	0.5
137.02357	0.6
139.03906	1.0
139.07544	1.1
139.11142	0.6
141.01840	1.0
143.03401	2.9
149.09657	0.9
151.11119	0.6
153.09109	0.6
153.12766	0.6
155.10701	2.4
161.04459	3.8
161.09625	1.4
163.11185	6.4
165.09093	0.9
165.12711	0.6
167.03363	0.6
167.10658	1.7
169.12292	0.6
171.10176	31.3
172.10463	0.7
179.05528	4.6
179.10681	1.6
179.14265	0.9
181.12268	2.9
183.10175	0.8
185.11765	2.5
189.09097	1.6
190.09225	0.6
191.05577	0.7
195.13860	6.9
196.14288	0.7
197.11765	2.3
199.09723	0.9
199.13499	0.6
201.11247	26.0
202.11592	1.1
205.15779	0.8
207.10199	14.9
208.10474	1.1
209.11761	20.0
210.12070	1.8
211.13310	1.3
213.11179	0.7
215.12900	2.3
221.06609	3.1
223.13322	5.1
225.11270	35.0
226.11548	2.1
227.12865	2.8
228.13571	0.8
229.35107	0.7
235.08200	5.8
243.12383	3.6
251.12631	0.5
253.09277	1.8
256.12988	0.9
263.07565	0.8
275.20187	7.1
287.07755	1.4
291.19669	10.7
292.19901	1.0
293.21210	100.0
294.21552	7.1
305.08835	1.6
309.20660	2.1
311.22293	1.5
317.21295	0.6
335.22284	0.8
379.12192	2.5
397.13470	35.2
398.13730	1.7
415.14520	14.3
416.14999	0.5
439.14417	2.6
457.15540	0.8
483.31161	0.9
501.32382	0.6
569.24579	0.9
605.24768	3.2
623.25464	5.5
624.25952	1.0
641.26501	1.3
665.21088	0.6
673.34369	0.7
691.35437	1.2
796.70074	0.6
899.46362	7.1
900.46558	2.1
917.47308	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	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68580	0.4
65.88165	0.4
67.01756	0.3
69.03323	2.2
70.99007	0.9
71.01254	19.6
72.99178	1.5
73.02821	3.1
75.00752	0.5
78.95802	0.6
80.02559	1.3
80.96395	0.6
81.03310	2.2
83.01278	2.4
83.04898	6.1
84.02042	0.9
85.02828	4.6
87.00748	3.9
89.02316	14.0
89.02843	0.8
93.03374	0.5
95.01263	1.6
95.04922	1.5
96.95908	2.2
97.02842	3.8
97.06478	0.7
99.00782	1.3
101.02327	12.4
102.02657	0.4
109.02833	0.6
109.06473	1.3
111.08035	7.5
113.02333	8.7
116.92708	0.9
119.03400	3.7
121.02817	0.5
121.06505	0.5
123.04421	0.5
125.02330	5.3
125.05946	1.1
125.09626	1.0
126.02591	0.4
131.03386	0.9
133.02827	1.1
135.04379	1.3
135.08069	1.2
139.03949	0.7
143.03442	3.2
145.04945	0.5
151.11195	0.9
153.09167	0.5
153.12759	0.8
161.02351	2.3
161.04465	3.5
163.11215	5.6
165.12787	3.8
169.12262	2.3
171.10205	5.3
179.03427	1.6
179.05511	5.0
179.10698	0.6
181.12236	2.7
183.13741	0.4
191.05511	2.2
191.10675	1.4
193.12334	0.7
195.13776	0.7
197.11760	33.4
198.12106	1.4
199.13330	1.8
201.11307	1.6
207.10255	0.9
209.11774	100.0
210.12123	5.6
211.13362	5.9
221.06702	2.5
223.13390	0.9
225.11285	3.5
227.12845	15.5
228.13182	0.8
235.08241	4.5
235.13443	0.5
247.20755	0.9
253.09229	1.6
263.20096	1.7
265.17975	0.8
273.18655	1.0
284.04074	0.4
287.07730	1.6
291.19675	18.6
292.19885	1.4
293.21240	7.0
294.21283	0.6
305.08829	1.6
306.76437	0.5
309.20706	83.4
310.21048	6.3
323.09888	1.4
336.59543	0.5
338.61969	0.4
379.12344	3.6
397.13483	40.7
398.13861	2.9
415.14603	16.5
416.15161	0.7
501.31967	0.7
519.33167	0.6
597.23358	0.5
607.26129	2.4
608.26392	0.5
623.24872	0.7
689.33948	1.2
707.23944	0.5
707.34888	2.5
899.46600	1.0
917.46118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01732	0.8
68.99668	0.6
69.03326	2.9
70.44607	1.5
70.44964	1.1
71.01251	39.9
71.04916	0.6
72.01593	0.7
72.99181	3.8
73.02815	9.2
80.02558	1.3
81.03330	1.6
83.01267	3.5
83.04900	3.8
84.02039	1.0
85.02817	11.8
86.54394	0.6
87.00746	7.9
89.02312	21.3
93.03326	1.3
95.01263	2.6
95.04905	3.3
96.93755	0.6
96.95931	0.6
97.02843	6.3
99.00757	3.0
99.04416	0.8
101.02320	21.8
107.04918	0.9
109.02859	1.7
109.06482	5.4
110.03630	1.1
111.00750	1.4
111.04404	1.5
111.08028	2.8
113.02335	15.4
119.03377	6.0
121.02794	1.2
121.06515	0.7
123.04386	1.1
123.08073	1.2
125.02331	8.8
125.05920	0.8
125.09648	3.2
127.11195	4.6
129.01817	0.6
131.03377	0.9
133.02824	2.1
133.04935	0.7
133.66971	0.6
135.04382	3.4
135.08104	1.0
137.02278	0.9
137.09613	1.2
139.03908	0.9
139.07530	1.9
139.11165	0.7
141.01836	1.9
142.02574	0.8
143.03389	3.8
149.09627	1.5
151.11186	1.1
153.09128	0.8
155.03494	0.6
155.10667	3.2
161.02333	3.5
161.04463	4.4
161.09557	1.2
163.11232	7.2
165.09105	1.4
165.12810	1.4
167.03450	1.0
167.10695	1.5
169.12225	1.0
171.10182	44.0
172.10484	1.1
175.04005	0.6
177.12717	0.8
179.03419	2.7
179.05502	6.3
179.10728	1.5
181.12242	3.4
183.10196	1.4
185.04442	1.0
185.11752	2.8
189.09146	2.2
191.05519	1.7
191.10680	1.0
195.13823	8.1
197.11810	4.2
199.06024	0.7
199.13260	1.8
201.11256	39.5
202.11723	1.2
203.05472	0.7
205.12328	0.8
207.10196	21.4
208.10594	1.5
209.11763	30.0
210.12128	1.7
211.13335	3.0
215.12827	3.7
217.07303	0.6
221.06512	3.1
223.13342	5.8
225.11264	52.1
226.11606	2.7
227.12845	4.7
235.08185	6.7
243.12383	5.0
253.09241	2.7
256.13092	1.1
263.07663	1.2
275.20078	7.0
287.07724	2.2
291.19647	15.1
292.19907	1.4
293.21213	100.0
294.21573	7.8
305.08670	2.1
307.84229	0.6
309.20651	3.4
311.22256	2.0
317.21182	0.7
323.09879	1.7
379.12421	5.2
397.13495	42.9
398.13928	3.7
415.14536	17.5
416.15002	0.8
439.14627	2.7
443.19009	1.0
457.15533	1.4
477.31979	1.0
501.32104	0.8
569.24445	2.0
605.24304	4.5
606.24799	0.7
623.25543	10.7
624.25610	1.1
641.26532	1.8
899.46588	8.3
900.45801	1.7
917.48010	5.7
918.48718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29162	1.1
69.03320	4.6
70.98248	2.9
71.01251	26.7
71.04879	2.8
71.09563	1.2
72.99185	3.1
73.02814	3.5
75.00719	2.0
81.03337	2.1
83.01243	3.6
83.04894	4.4
85.02834	6.1
87.00774	6.3
88.98655	1.7
89.02311	17.0
95.01270	1.7
96.95889	2.9
97.02811	5.8
97.06464	2.9
99.00755	3.1
101.02323	16.6
109.06459	3.6
111.08143	1.2
111.47139	1.1
113.02346	10.4
116.92710	1.7
119.03390	4.0
121.02863	1.7
123.04416	1.3
125.02326	4.4
125.09613	2.9
128.47961	1.4
133.02884	3.1
135.04434	2.0
135.08005	1.6
143.03415	2.6
149.04433	1.7
151.11206	2.5
153.12746	2.0
161.02321	3.1
161.04427	2.7
161.09554	2.1
163.11159	7.2
165.12790	2.0
171.10144	7.3
179.03427	4.2
179.05525	2.9
179.10707	4.6
181.12225	2.9
191.05568	1.8
191.10590	1.6
195.13809	3.1
197.11763	49.9
198.12115	2.7
201.11426	1.4
207.10216	7.2
209.11771	59.3
209.13799	2.9
210.12128	4.7
211.13339	5.4
221.06595	3.1
223.09752	3.4
223.13344	2.1
225.11317	11.7
227.12854	10.4
235.08186	3.2
241.10704	3.5
245.19075	2.7
263.20126	3.4
275.20050	3.5
287.07584	2.0
289.18100	14.5
291.19659	4.1
293.21280	12.0
307.19165	17.3
308.19434	2.2
308.83414	1.4
309.20724	7.4
351.79443	1.5
379.12473	2.3
397.13489	21.4
415.14597	9.1
605.23859	1.6
607.26312	2.0
623.25500	2.5
897.44885	2.7
915.45917	100.0
916.46411	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	100.0
71.49644	3.6
73.02806	4.4
78.95764	5.7
80.96455	3.2
83.01253	4.0
85.02831	5.8
87.00761	5.5
87.09720	2.9
89.02324	21.0
97.02798	8.0
99.00751	7.3
101.02307	16.1
109.06439	12.6
113.02338	15.1
116.92747	15.5
119.03408	2.7
125.02325	5.8
125.09627	3.1
134.23526	2.5
135.08075	4.0
163.07555	2.8
163.11241	12.8
171.10187	7.8
179.05542	4.3
181.12253	8.2
199.13278	3.5
201.11292	6.4
207.10207	62.2
209.11743	4.7
225.11293	34.9
235.08218	5.7
243.12404	6.3
255.23265	75.7
256.23624	8.8
269.07010	2.7
287.07559	3.6
397.13461	35.1
415.14609	7.7
501.47452	2.9
605.24146	4.3
623.25897	3.7
861.48694	31.2
862.49188	12.1
879.49744	5.1
911.52118	27.9
912.52124	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	913.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91962	1.1
65.00150	0.9
67.01743	2.6
71.01240	4.1
71.49758	1.6
73.02800	1.0
78.92182	0.9
79.43163	1.1
83.04932	1.3
85.02810	6.8
87.00755	3.5
87.44109	1.1
89.02341	1.3
91.27934	1.0
93.03342	13.6
107.01279	1.7
109.02827	1.6
111.04390	4.2
121.02823	1.7
124.21541	1.1
127.03934	1.9
133.02821	2.4
135.04395	2.0
137.02335	1.2
148.01543	1.2
151.00276	8.8
155.03404	2.8
155.82770	1.2
158.03545	1.2
159.04385	2.6
161.02338	4.7
163.00331	2.1
171.04393	1.8
172.05191	8.1
173.04492	27.4
173.05818	1.3
174.03192	1.1
174.06728	3.4
175.07555	2.3
178.99760	4.5
183.04407	1.3
187.03993	2.4
187.07631	8.8
191.05553	75.6
192.05894	2.5
198.06783	1.7
201.05392	1.4
202.06270	4.4
203.06915	1.7
203.10677	3.4
213.09155	33.7
214.09464	1.9
215.07048	5.2
226.03038	1.3
227.03384	2.0
228.04161	2.1
229.08893	1.3
231.10242	28.0
232.10466	1.7
233.06624	3.6
238.85139	1.1
243.03070	5.7
254.64275	1.2
255.02957	21.1
257.08197	41.7
258.08578	2.6
271.02487	40.1
272.02963	3.5
275.09268	28.8
276.09549	2.1
283.02649	1.3
299.02112	1.5
300.02762	85.1
301.03537	36.5
302.03943	1.8
397.13760	1.3
417.88644	1.1
431.13440	4.0
444.88821	1.0
449.14532	29.6
450.14810	4.1
463.08829	100.0
464.09134	7.9
549.56171	1.4
592.88300	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	903.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56179	1.5
69.69769	1.5
71.01254	24.6
72.99190	2.4
73.02824	3.7
78.95800	4.0
80.96387	3.0
81.03335	2.8
83.01262	2.2
83.04910	4.5
84.02017	2.1
85.02829	5.8
87.00764	5.3
89.02316	17.2
89.02795	2.3
93.03378	1.6
97.02851	3.2
101.02319	17.4
111.04417	1.6
113.02335	7.3
116.92751	15.4
118.87436	1.4
119.03417	5.6
125.02348	6.8
125.09606	3.4
127.11189	4.6
133.02800	1.9
143.03387	3.2
151.03923	1.7
151.10988	1.7
155.10695	2.5
161.04573	2.0
163.11160	2.4
163.62207	1.6
165.09082	1.7
165.12822	2.3
171.10207	4.6
179.05571	4.8
191.05630	4.6
199.09648	2.5
199.96399	1.6
201.11258	90.5
202.11633	4.2
209.11763	100.0
210.12134	6.0
221.06560	2.1
225.11119	1.9
227.12868	11.8
235.08212	7.0
253.09225	3.0
277.21710	66.5
278.22119	7.7
287.07581	3.7
293.21381	2.8
323.10211	1.9
347.32227	1.7
379.12634	9.0
397.13501	57.5
398.13922	4.8
415.14560	13.3
581.24493	2.9
599.25983	2.6
607.25714	2.5
675.36517	4.6
699.35193	1.9
903.47296	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	902.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98393	5.6
71.01258	56.4
71.49433	8.5
73.02805	18.8
80.96400	5.9
83.01250	5.9
85.02821	15.7
87.00741	15.4
89.02306	43.9
95.04905	6.1
96.95891	15.9
97.02829	9.6
99.92455	5.6
101.02325	34.2
105.06186	4.8
113.02306	26.1
116.92732	28.4
119.03356	11.7
125.02296	24.2
127.11164	6.6
133.02823	6.1
143.03391	9.8
161.02303	14.6
161.04468	10.3
163.11182	8.4
171.10155	100.0
172.10555	27.0
179.05518	7.2
181.12199	5.4
191.05447	10.2
199.13429	7.2
201.11247	50.0
207.10187	20.2
208.10582	12.7
209.11813	40.6
211.13257	8.9
221.06572	6.2
225.11246	47.7
226.11629	19.9
227.12810	11.2
227.69629	4.6
235.08102	12.3
253.09467	5.2
255.06755	4.8
277.21707	97.2
278.22037	41.5
279.22476	5.8
293.21155	15.4
294.21585	9.8
379.12466	14.1
397.13519	74.1
398.13776	26.7
415.14456	20.2
416.14984	6.0
448.71555	6.3
624.25867	10.5
662.12604	5.3
884.47253	13.1
902.47455	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.3
71.01250	14.7
71.73621	0.3
72.01625	0.3
72.99176	1.4
73.02829	2.0
75.00750	0.5
75.77261	0.3
78.95784	0.3
80.02551	1.2
81.03329	1.8
83.01260	1.4
83.04893	5.9
84.02035	0.7
85.02818	3.4
87.00758	3.7
89.02314	12.4
93.03344	0.5
95.01264	1.3
95.04881	0.8
96.95892	1.3
97.02815	2.1
97.06411	0.3
99.00761	1.0
99.04392	0.5
101.02322	10.0
109.06476	0.3
109.78280	0.3
111.04433	0.4
111.08072	0.4
113.02322	6.0
113.09641	0.4
119.03366	3.1
121.02880	0.4
125.02331	3.9
125.05971	0.7
127.03876	0.3
131.03386	0.5
133.04965	0.4
135.08038	0.9
143.03432	1.7
149.04451	0.6
161.02354	0.4
161.04462	3.1
163.11186	4.4
165.12735	2.8
167.10616	0.4
177.12746	0.4
179.05545	3.2
179.14284	0.6
181.12244	0.7
183.13878	0.5
191.05486	0.6
191.10704	0.9
195.13820	6.2
196.14438	0.4
199.13240	0.3
205.12320	0.8
205.15747	0.3
207.10088	0.4
209.11765	100.0
210.12099	3.6
211.13307	1.5
217.07167	0.7
221.06612	1.0
223.13351	3.9
224.13748	0.5
225.11237	0.7
225.15065	0.3
227.12842	10.9
228.13432	0.7
235.08220	4.0
235.16986	0.5
247.97472	0.3
251.12831	0.4
253.09265	1.0
256.13138	1.0
263.07730	0.4
265.21747	0.4
275.20160	4.7
276.20493	0.6
287.07727	1.4
293.21210	91.0
294.21579	5.0
305.08755	1.4
323.09848	1.3
379.12460	3.4
397.13467	38.8
398.13757	2.0
415.14590	11.5
416.14883	0.9
485.33032	0.5
512.74365	0.3
589.24786	0.5
607.26154	2.6
673.34412	0.7
691.35339	0.8
901.46967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91423	0.2
69.03322	1.1
69.78970	1.0
71.01250	15.2
71.04881	0.3
72.01601	0.2
72.99179	1.7
73.02831	1.8
73.21658	0.2
75.00734	0.4
80.02555	1.4
81.02879	0.3
81.03327	2.1
83.01241	1.6
83.04890	5.6
84.02050	1.1
85.02354	0.3
85.02821	3.2
87.00751	3.3
89.02314	10.9
93.03349	0.2
95.01254	1.3
95.04890	0.8
96.95871	1.5
97.02809	2.3
97.06453	0.4
98.19825	0.2
99.00745	0.8
99.04398	0.3
101.02319	10.6
109.02817	0.3
109.06483	0.4
111.00749	0.3
111.04402	0.3
111.08026	0.5
111.36500	0.2
113.02332	7.0
116.92742	0.3
119.03378	3.1
121.02856	0.2
125.02335	4.6
125.05969	0.6
125.09586	0.3
127.03867	0.3
131.03391	0.5
133.02812	0.2
135.04340	0.2
135.08031	0.8
139.03909	0.4
141.01810	0.3
143.03381	1.9
145.04948	0.3
147.11649	0.3
149.04427	0.4
151.03862	0.2
161.02357	0.3
161.04472	2.2
163.11198	4.2
165.12737	2.4
166.13107	0.2
167.03394	0.2
167.10616	0.3
171.10164	0.8
174.13441	0.2
179.05537	3.4
179.14304	0.8
181.12241	0.8
185.04433	0.2
191.05557	0.3
191.10663	1.1
193.12292	0.3
195.13837	6.9
195.59938	0.2
196.14389	0.6
199.06013	0.2
199.13361	0.4
205.12236	0.5
205.15834	0.4
207.10170	0.5
209.11760	92.6
210.12090	5.0
211.13303	0.9
217.07060	0.4
219.78778	0.2
221.06544	1.3
223.13353	5.1
224.13889	0.3
225.11292	0.4
225.14815	0.4
227.12837	11.4
228.13307	1.0
231.21101	0.5
235.08173	4.0
235.16934	0.3
245.06610	0.5
251.12866	0.4
253.09209	1.2
256.13159	0.9
259.07990	0.3
263.07785	0.4
265.21857	0.5
275.20129	5.9
275.22937	0.4
287.07715	1.0
291.19589	0.3
293.21204	100.0
294.21530	8.3
305.08682	1.4
309.20636	0.2
317.21115	0.4
323.09763	0.9
341.23340	0.9
365.97687	0.2
379.12430	2.9
397.13467	32.8
398.13788	2.1
415.14536	12.0
416.14706	1.1
503.33722	0.3
580.90393	0.3
589.25116	0.4
597.56079	0.2
607.26178	1.8
608.26733	0.3
634.08075	0.3
673.34418	0.9
691.35150	1.2
832.40961	0.5
884.36511	0.3
901.47412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	0.4
69.03317	0.7
70.36618	0.9
71.01251	13.5
71.04870	0.4
72.99181	0.9
73.02826	2.0
75.00740	0.3
80.02538	1.2
81.03336	1.9
83.01250	1.8
83.04896	5.1
84.02037	0.8
85.02827	3.9
87.00742	3.4
88.57230	0.2
89.02316	10.3
95.01263	1.1
95.04892	0.7
96.95882	0.3
97.02834	1.7
97.06476	0.7
99.00735	0.7
101.02319	9.9
102.02679	0.3
109.02822	0.3
109.06486	0.7
111.00752	0.4
111.04432	0.4
111.08030	0.6
113.02331	6.1
115.03885	0.3
119.03386	2.8
119.67368	0.2
123.08097	0.3
125.02341	4.2
125.05985	0.6
125.09592	0.6
131.03380	0.9
133.02875	0.4
135.04416	0.3
135.08064	0.5
139.03908	0.3
141.01855	0.4
143.03436	1.7
149.04413	0.4
158.06236	0.2
161.02390	0.5
161.04477	2.9
163.11211	4.4
164.73225	0.3
165.12752	2.0
167.10722	0.3
171.10168	2.1
179.03349	0.4
179.03995	0.4
179.05502	3.1
179.10718	0.4
179.14337	0.8
181.12265	0.9
183.13795	0.6
191.05620	0.3
191.10736	0.9
193.12222	0.5
195.13821	6.0
196.14366	0.5
197.11772	0.7
199.13298	0.5
205.12430	0.4
209.11766	92.7
210.12111	4.2
211.13344	2.5
212.13696	0.3
217.07085	0.4
221.06593	1.8
223.13354	4.8
224.13901	0.4
225.11423	0.3
225.14906	1.3
227.12834	13.1
228.13509	0.8
231.21086	0.5
235.08195	4.4
239.12662	0.4
251.12808	0.7
253.09285	1.8
256.13132	0.9
259.08231	0.3
263.07657	0.3
265.21707	0.4
275.20142	6.0
277.09201	0.3
287.07745	1.6
290.67719	0.3
291.19647	0.5
293.21213	100.0
294.21570	5.9
305.08737	2.1
309.20679	1.7
310.21021	0.3
317.21152	0.3
323.09827	0.8
341.23279	6.1
342.23596	0.3
360.88525	0.3
379.12509	3.5
380.12805	0.3
397.13474	36.3
398.13882	2.1
415.14532	12.1
416.14868	0.7
486.33987	0.3
503.33911	0.4
589.24896	0.6
607.26105	2.3
608.26373	0.4
636.26129	0.3
665.46167	0.4
673.34442	0.5
691.35522	1.4
806.21136	0.3
816.62012	0.3
857.90387	0.3
901.47418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36004	3.7
71.01240	20.0
71.49701	5.2
75.00750	18.6
78.95767	10.3
80.96375	23.9
85.02810	5.9
87.00707	4.5
89.02320	16.1
94.97858	3.7
101.02301	12.7
116.92725	3.3
119.03400	5.3
125.02320	6.1
143.03395	6.1
163.11208	4.7
179.05493	9.0
191.05582	4.2
209.09923	6.4
209.11783	100.0
217.07632	3.2
225.00560	6.8
227.12773	24.1
235.08063	5.4
255.01344	3.2
255.23280	55.9
256.23563	8.5
277.21524	5.4
333.73935	3.9
379.12366	14.4
397.13483	58.4
398.13705	7.9
415.14597	12.3
426.95569	4.0
546.59814	3.9
589.24744	6.0
607.25995	7.6
620.85004	4.1
635.36713	5.4
653.37646	4.5
754.95239	3.5
763.60950	4.0
899.48254	35.9
900.46564	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98397	19.3
69.37685	49.2
69.38102	83.2
71.01250	49.3
77.21737	14.9
78.95774	45.9
80.96386	67.3
82.03902	13.9
82.78307	16.8
87.00773	17.9
89.02325	27.0
96.95898	58.4
101.02331	28.5
109.06490	16.5
111.16511	14.6
116.92755	52.9
134.04501	18.7
138.43631	13.2
145.63127	14.8
155.81245	15.1
168.34566	15.9
171.10204	25.3
197.11725	27.2
207.10222	26.9
209.11803	16.8
225.11279	31.6
277.21625	48.5
282.06232	14.6
293.21109	31.9
376.12216	17.1
435.03357	15.3
789.27460	17.7
825.99457	18.1
900.46478	100.0
901.46979	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.262
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41367	1.3
69.15961	2.5
69.16293	17.6
71.01229	1.7
79.26756	1.5
98.20538	2.6
111.08046	10.9
132.23727	1.8
135.04434	2.1
147.33717	1.4
151.00250	6.7
161.02397	1.7
169.01363	2.0
173.08084	19.2
178.99736	2.5
191.05530	3.8
227.03398	2.5
243.02896	4.0
255.02995	12.1
271.02451	28.3
276.10318	1.6
300.02734	61.4
301.03455	32.1
302.03931	2.0
305.12357	13.9
514.64191	1.8
581.13196	1.8
595.13049	100.0
596.13251	9.2
831.21631	1.7
863.37640	2.0
881.52820	1.6
925.83990	2.0
929.89203	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	1.2
69.45101	1.9
69.45536	3.2
71.00851	1.4
71.01253	27.4
71.04903	0.9
72.99181	1.8
73.02819	3.8
75.00738	1.0
75.34118	0.6
78.95769	0.7
80.02533	1.1
81.03326	3.9
83.01257	2.6
83.04906	4.5
85.02818	6.4
86.92773	0.8
87.00758	5.6
89.02318	17.8
89.02847	1.1
93.03339	1.2
95.01279	2.0
95.04893	1.1
96.95885	1.9
97.02831	12.0
99.00732	3.4
99.04388	0.8
101.02322	18.3
107.04940	1.2
109.06477	33.9
110.03639	1.5
110.06844	1.0
111.00751	0.8
111.04439	1.0
111.08051	0.8
113.02338	10.8
116.92732	0.7
119.03391	3.7
121.06491	1.8
123.04397	5.3
125.02345	5.1
125.05957	0.6
125.09623	1.3
131.03383	0.9
131.15414	0.6
135.04413	0.8
135.08081	5.0
136.05190	1.4
136.19507	0.6
141.01831	1.5
142.02621	2.7
143.03403	3.5
161.02357	1.3
161.04491	3.7
161.09627	2.6
163.11203	19.3
167.03369	0.7
167.10663	0.7
179.05547	5.5
179.10692	0.8
179.14265	0.7
181.12254	5.9
185.04428	0.9
185.16417	0.7
189.09123	2.2
191.05508	1.6
195.13841	7.8
197.11864	0.8
205.12424	0.9
207.10208	97.5
208.10535	5.3
209.11781	11.0
210.12071	0.9
211.13380	0.8
221.06551	3.0
223.10049	0.6
223.13379	6.9
225.11278	52.3
226.11565	1.9
235.08183	6.3
243.12367	2.5
253.09216	1.5
256.13095	1.2
263.07748	0.6
275.20148	4.9
281.13989	1.4
287.07599	1.4
291.19635	6.3
293.21231	100.0
294.21536	8.9
299.14972	2.0
305.08884	1.7
317.21130	0.8
323.09766	1.2
366.62943	0.7
379.12427	3.2
397.13528	38.8
398.13824	2.7
415.14584	18.9
416.15204	1.4
457.33130	0.8
581.57654	0.7
587.23688	1.2
605.24542	11.2
623.25421	13.4
624.26166	1.1
691.35657	1.5
881.44745	3.8
882.46381	0.9
899.46448	58.4
900.46692	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	897.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45042	0.9
66.42881	0.8
67.73449	0.8
69.03318	2.2
71.01255	100.0
72.01575	1.4
72.99188	2.2
73.02813	6.3
75.00739	5.8
79.09747	0.7
81.03339	1.1
81.57241	0.8
83.01258	4.0
84.85416	0.8
85.02828	6.5
87.00755	5.5
89.02317	20.6
90.26083	0.7
95.01270	2.1
97.02836	6.3
98.20592	1.9
99.00764	3.1
101.02322	20.4
109.06480	6.6
111.04415	1.2
113.02325	9.9
116.90573	0.8
119.03391	5.6
125.02338	8.3
125.09596	2.3
127.11137	1.6
135.08046	1.0
141.01813	1.4
143.03413	3.0
149.04440	0.9
153.09160	1.0
155.10670	1.6
161.04524	3.8
163.11182	3.9
171.10178	47.3
172.10564	2.1
172.41690	0.8
179.05519	5.3
181.08687	1.0
181.12291	1.4
189.73921	0.8
194.31865	0.8
199.09708	13.1
199.13274	2.5
201.11237	16.5
207.08385	1.7
207.10202	20.8
208.10588	1.5
221.06650	2.4
221.11768	2.4
225.11270	13.9
227.38234	0.9
235.08226	5.8
239.12872	1.9
243.12323	2.2
253.09154	1.5
255.23265	74.6
256.23611	6.5
258.15436	0.8
263.07495	1.4
277.21671	1.2
287.07648	2.7
288.66431	0.9
305.08707	2.8
323.09888	1.7
379.12469	6.2
397.13495	45.8
398.13757	3.8
415.14609	12.7
579.23755	1.0
597.23871	1.3
605.24268	1.0
623.25769	1.9
805.79834	0.9
835.46289	2.4
836.47516	1.3
861.48810	11.8
862.49207	4.6
879.50183	4.2
884.21289	1.0
897.50702	20.4
898.50720	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	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15164	0.6
68.99703	0.8
69.03320	1.8
69.15208	5.2
69.15630	2.3
71.01254	100.0
72.01598	1.3
72.99183	3.4
73.02822	5.3
78.95770	2.6
79.73946	0.6
80.96374	1.1
81.03351	1.1
83.01265	2.9
83.04891	1.2
85.02814	6.0
87.00746	5.5
89.02314	18.0
90.02674	0.8
91.03841	0.6
91.87774	0.6
93.03323	0.8
95.01264	2.2
96.17419	0.6
97.02824	6.4
99.00762	3.2
99.04372	0.6
101.02325	17.5
109.06482	6.8
111.04388	0.9
113.02328	9.6
119.03382	5.2
125.02340	7.3
125.09640	3.0
127.03901	0.8
127.11181	1.8
131.28346	0.7
135.08093	0.9
136.05003	0.7
139.03894	0.8
141.01697	1.8
142.02612	0.7
143.03453	3.8
152.51613	0.7
155.10689	1.9
161.04456	4.1
163.11237	5.5
171.10184	46.2
172.10605	1.6
179.05559	4.5
181.08640	1.0
181.12306	2.8
185.11787	1.1
189.09172	0.8
199.06026	0.9
199.09708	11.6
199.13373	2.1
201.11256	13.3
207.10204	23.3
208.10573	1.3
209.11763	1.4
217.07274	0.7
217.10747	0.8
221.06725	2.1
225.11284	15.6
235.08179	7.4
237.79683	0.6
241.01131	1.2
243.12308	3.4
255.23277	79.8
256.23593	6.5
287.07803	1.6
305.08841	2.6
373.34332	0.7
379.12466	6.6
397.13486	40.9
398.13965	3.3
415.14468	8.5
512.75909	0.9
579.23596	1.0
597.23969	1.4
605.24744	2.1
610.50610	0.7
615.13458	0.7
623.25885	1.9
653.37421	1.5
728.67035	0.8
823.86975	0.8
835.47949	3.0
836.47491	1.1
861.48450	13.6
862.48938	5.2
879.50189	4.1
897.50580	18.8
898.50598	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99675	0.9
69.03329	1.0
69.18967	5.0
69.19376	1.1
71.01254	100.0
72.01609	1.4
72.99179	1.8
73.02821	4.3
75.00755	6.4
78.64193	0.5
81.03335	1.7
83.01261	2.6
83.04904	2.5
85.02829	8.4
87.00742	6.2
89.02319	18.5
95.01279	2.4
95.14342	0.6
97.02829	6.0
97.06507	0.6
99.00755	2.7
101.02327	16.8
109.06481	5.0
110.03620	0.6
111.00715	0.7
113.02335	8.8
115.03877	0.8
119.03365	4.8
123.08063	0.7
125.02346	8.1
125.09631	2.7
125.83733	0.6
127.11195	2.3
127.18002	0.6
131.03406	1.3
135.51665	0.7
136.05226	1.0
141.01839	1.0
142.02602	0.6
143.03383	3.1
153.09161	0.8
155.10674	1.0
161.04482	3.5
163.11211	2.6
171.10182	48.3
172.10551	1.8
177.12704	1.6
179.05568	4.8
181.08649	0.8
181.12230	1.1
190.61482	0.5
194.78572	0.8
195.08357	0.5
195.13869	0.9
199.09669	10.0
199.13449	0.9
199.66910	0.6
201.11259	9.9
207.10216	14.2
208.10591	0.8
209.11801	1.3
211.53465	0.6
217.07149	0.8
221.06784	1.6
221.11768	14.0
222.12079	1.0
225.11295	10.2
225.13387	1.1
235.08185	5.9
239.12862	7.3
243.12383	1.1
253.09265	1.9
255.23267	64.4
256.23621	4.6
263.07770	0.6
269.24951	0.7
277.21719	11.3
278.22025	1.4
283.25601	0.7
287.07776	1.7
305.08807	1.6
309.20712	1.0
379.12360	6.3
380.12866	0.8
397.13498	42.2
398.13861	2.8
415.14645	10.3
579.23145	1.2
605.24701	1.0
623.25830	2.3
637.26581	0.8
653.37585	1.2
835.47614	1.9
861.48712	8.6
862.48932	2.3
873.17139	0.7
879.50018	1.2
897.49994	13.6
898.50201	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03295	2.7
69.37028	1.4
69.37466	1.2
71.01252	15.5
71.04908	0.4
72.01591	0.4
72.59956	0.3
72.99184	1.1
73.02811	2.1
75.00743	0.5
81.03317	0.7
83.01270	1.6
83.04925	0.9
85.02814	3.3
87.00744	3.4
89.01762	0.6
89.02314	12.6
93.03339	0.4
95.01269	1.3
95.04910	0.6
97.02825	2.6
99.00755	1.0
101.02321	11.0
109.02821	0.4
109.06487	0.4
111.00832	0.3
111.04429	0.6
111.08018	0.5
113.02320	5.8
119.03391	3.1
125.02339	5.0
125.09606	0.4
131.03389	0.4
133.04947	0.7
143.03372	1.5
145.04916	0.3
149.04428	0.4
149.09651	0.7
161.04469	3.1
167.10724	2.7
171.10146	0.5
177.12747	0.7
179.05548	4.0
179.10732	1.0
179.14349	3.4
195.13832	14.7
196.14365	0.9
205.12267	7.4
205.14104	0.5
205.16011	0.4
211.13341	0.7
217.07101	0.4
221.06573	2.1
223.13344	68.7
224.13705	4.3
225.14917	1.0
228.13609	0.5
235.08168	3.8
253.09308	0.7
256.13123	1.1
263.07495	0.4
275.20123	4.5
276.20676	0.3
287.07761	0.9
291.19598	0.4
293.21213	100.0
294.21536	8.2
305.08786	1.2
317.21442	0.4
323.09821	1.0
379.12448	2.2
385.59921	0.3
397.13470	33.8
398.13864	2.0
415.09058	0.7
415.14563	12.1
416.14636	0.8
499.34265	0.9
603.26593	3.7
604.26459	0.4
621.27679	9.4
622.28040	0.9
673.34637	1.4
691.35199	2.3
692.35626	0.7
897.48694	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	895.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.4
71.01244	13.1
72.99163	2.7
73.02834	2.7
78.95774	2.3
80.96418	1.8
81.03323	2.0
83.04875	4.2
85.02827	4.3
86.66272	1.3
87.00754	3.2
88.00260	1.1
88.98696	7.4
89.02311	15.9
95.01278	1.3
97.02806	2.9
99.00747	1.6
101.02327	13.0
113.02317	7.7
119.03355	3.1
125.02331	6.0
143.03415	2.5
161.04431	4.5
163.11179	3.1
165.12729	2.3
179.05513	3.9
181.12225	1.5
193.96959	1.1
209.11766	100.0
210.12112	5.8
215.54039	0.9
221.06674	1.9
227.12863	13.5
229.86194	1.5
232.73959	1.1
235.08171	4.0
253.09216	1.9
255.23265	55.5
256.23648	3.7
259.08307	1.2
259.15460	1.9
287.07715	1.6
291.99976	1.1
292.90918	1.1
305.08719	2.0
309.70911	1.0
323.09781	1.2
379.12402	12.3
397.13498	46.5
398.14072	3.5
415.14471	9.2
589.25000	2.0
607.25909	1.9
635.36786	1.0
653.37299	3.7
826.25507	1.2
864.26300	1.3
895.48187	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	891.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32558	2.2
69.36053	19.9
71.01254	51.4
72.97399	2.9
72.99183	4.1
73.02815	13.0
83.01264	4.4
85.02826	23.6
87.00748	5.4
89.02319	25.3
93.03336	8.1
95.01257	5.3
96.95947	3.0
99.00756	3.6
101.02326	32.8
110.32531	2.1
113.02338	22.5
119.03386	7.4
119.04857	3.0
121.06483	4.7
131.03447	2.7
133.02873	4.8
134.03636	3.1
135.04398	9.0
137.02307	2.2
143.03424	2.9
149.04436	7.0
153.01842	2.6
159.02893	4.0
161.02353	6.3
161.04474	13.0
165.01877	2.3
173.04419	8.0
177.01892	3.3
179.03426	4.3
179.05489	7.4
187.07552	2.8
191.05553	45.3
192.05917	3.2
195.06567	2.4
197.51253	2.3
209.15430	5.9
211.07596	3.3
215.07112	2.9
229.08612	6.2
255.06558	6.5
257.08078	2.5
273.07623	3.4
275.09317	5.1
353.19592	16.7
371.20752	29.0
413.21808	100.0
414.22150	9.4
433.24438	35.2
512.25543	2.9
512.75806	2.4
667.23779	3.1
699.26105	3.7
891.30634	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	891.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	1.0
71.01250	16.4
72.99171	1.3
73.02813	1.4
80.02576	0.9
81.03330	2.4
81.91635	0.8
83.01250	1.9
83.04883	4.4
85.02827	3.9
87.00758	4.3
89.02319	13.9
95.01262	0.9
95.04902	0.8
97.02837	2.8
99.00787	0.8
101.02322	13.8
113.02321	6.2
119.03397	3.8
124.84564	0.8
125.02328	4.7
131.03398	1.0
143.03392	1.7
149.04430	0.9
161.04459	2.9
163.11185	3.2
165.12761	2.2
179.05577	3.9
189.49103	0.7
191.10678	1.5
209.11766	100.0
210.12091	5.0
221.06584	1.5
227.12817	12.1
235.08205	5.7
255.23335	1.2
283.26413	59.0
284.26819	4.7
287.07764	2.1
305.08746	1.8
379.12411	7.9
380.12866	1.3
397.13486	42.4
398.13708	3.7
415.14490	9.8
456.70715	0.7
589.25177	1.2
607.26227	1.8
681.40253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	4.3
69.03319	1.1
69.08245	0.4
70.39907	0.4
70.83113	0.4
70.97723	0.9
71.01253	19.0
72.99174	1.5
73.02824	2.9
78.95787	1.0
80.96398	0.9
81.03329	1.2
83.01257	2.3
85.02818	4.8
87.00755	4.7
89.02316	12.9
95.01257	1.5
97.02834	2.8
99.00750	1.2
99.04384	0.4
101.02320	12.3
111.04349	0.5
113.02325	7.0
116.92770	0.8
119.03412	3.4
121.02851	0.9
125.02329	6.8
125.09596	0.9
127.11166	1.6
131.03391	0.6
133.04970	0.7
137.02472	0.4
139.03886	0.5
139.64928	0.4
141.01862	0.6
143.03426	2.5
149.04439	0.8
151.03897	0.4
152.99521	0.6
153.09088	0.6
161.04469	3.4
171.10178	100.0
172.10524	3.6
179.05562	3.5
199.06146	0.7
209.11748	0.6
217.07104	1.6
221.06650	1.6
235.08185	7.0
245.04315	1.2
253.09256	1.2
259.08350	0.8
277.21719	65.3
278.22101	5.5
281.24722	0.4
287.07706	1.9
305.08698	2.2
323.09650	1.3
325.72006	0.5
379.12430	15.9
380.12720	1.2
397.13480	41.9
398.13919	2.8
415.14578	8.3
416.14951	0.5
457.57602	0.5
463.44522	0.5
470.44403	0.5
481.25763	1.4
507.77707	0.5
551.23358	3.0
569.24341	2.2
657.34967	2.4
675.35852	2.8
889.48376	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	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	3.3
69.03318	1.4
71.01250	17.8
71.49783	1.1
72.99179	1.6
73.02821	2.8
78.95784	3.2
81.03345	1.3
83.01257	2.3
85.02841	4.5
87.00749	5.0
89.02312	15.9
89.02843	1.0
95.01249	1.1
97.02831	3.2
99.00733	0.9
99.20173	0.7
101.02316	11.1
113.02332	6.5
116.38004	0.8
119.03401	4.3
125.02319	8.0
125.09600	1.2
127.11191	1.6
143.03412	2.8
152.99475	2.6
161.04503	3.9
165.36545	0.8
171.00511	1.2
171.10175	100.0
172.10481	2.4
179.05559	3.8
191.05464	0.8
199.06056	0.8
201.36435	0.9
203.05679	0.8
209.11812	3.8
213.11153	0.8
217.07103	1.3
221.06567	1.5
235.08179	5.6
245.04320	3.6
253.21725	1.6
259.08203	1.6
277.21704	56.2
278.22034	4.4
281.24869	0.9
287.07803	2.3
293.67874	0.8
301.09097	1.0
305.08765	1.7
309.15012	0.9
323.09949	1.4
379.12466	16.1
397.13470	47.0
398.13794	3.0
415.14474	7.9
481.25504	6.2
551.23584	3.6
569.24207	4.0
657.35352	1.1
675.35547	1.9
889.48273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4648
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98705	7.6
69.03318	1.7
71.01256	16.9
71.38738	1.5
72.99162	2.0
73.02815	2.4
73.21861	0.8
78.95776	0.9
81.03320	0.8
83.01255	1.7
83.04867	1.0
85.02820	3.2
87.00751	3.5
88.98679	1.2
89.02315	11.3
93.74648	0.9
95.01247	1.2
96.95892	7.9
97.02824	1.6
97.06466	3.1
99.00743	0.8
101.02317	10.7
111.04430	0.9
113.02310	4.8
116.92742	6.4
117.53433	0.9
119.03394	2.2
125.02326	3.1
129.44028	0.7
131.03387	1.0
132.09457	0.8
143.03477	1.1
149.04472	1.3
151.11197	10.5
161.02344	1.2
161.04500	1.3
161.38097	0.9
169.12256	63.9
170.12566	3.3
171.10204	1.0
173.42264	0.7
179.03395	0.7
191.05634	0.9
195.10141	1.3
195.13852	2.7
196.37885	1.0
201.05693	0.7
209.11751	2.5
213.11269	9.2
215.64992	0.8
221.06639	3.5
223.13358	2.6
235.08125	1.8
260.08493	0.8
275.20081	1.1
283.88513	0.9
291.19534	0.8
293.21249	9.6
319.00381	0.9
341.22913	0.8
397.13528	2.3
415.14493	1.6
593.25000	0.9
611.25568	3.4
887.46429	100.0
888.46759	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	887.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	6.8
69.68568	5.4
71.01253	11.8
73.02809	3.0
73.91371	0.9
78.95816	1.0
81.96357	0.9
83.01244	1.3
83.04901	1.4
85.02811	2.8
85.68536	0.8
87.00747	2.2
88.98693	1.3
89.02319	8.7
95.04857	2.2
96.95889	5.0
97.02837	1.5
97.06461	3.9
98.19865	1.5
99.00739	1.0
99.92487	1.0
101.02317	8.9
101.97098	0.8
109.02832	1.0
113.02363	4.6
115.00300	1.0
116.92754	13.5
119.03366	2.6
119.08857	0.8
125.02327	2.4
131.03482	0.9
132.85440	0.9
133.01300	1.0
133.04951	1.5
151.11185	9.6
161.02365	1.1
168.45734	0.9
169.10818	1.9
169.12251	36.9
170.12541	1.7
171.10207	1.3
178.42897	0.8
191.05542	1.4
195.13791	6.0
201.05437	1.0
209.11743	2.6
211.13458	1.6
213.11272	5.3
221.06598	1.5
223.13318	3.2
253.09230	1.1
256.13010	1.1
275.20120	3.4
293.21219	18.9
294.21545	1.3
397.13431	3.3
415.14966	1.2
459.57535	1.1
593.24365	1.1
737.39435	1.1
887.46411	100.0
888.46796	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	884.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.74537	0.2
62.99123	0.1
71.01252	0.2
79.60839	0.2
79.95604	0.2
80.96403	0.5
90.35351	0.2
97.17690	0.2
106.94868	0.2
144.09706	0.2
207.10147	0.2
209.11813	0.2
458.76257	0.2
469.24875	0.2
471.97910	0.2
884.46637	0.3
885.47107	0.4
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	0.6
68.69393	0.2
69.03329	0.8
70.80492	0.5
71.01254	13.4
71.04897	0.2
72.99173	0.9
73.02819	2.4
75.00787	0.2
80.02557	1.1
81.03326	1.4
83.01251	1.8
83.04897	5.0
84.02042	0.5
84.05208	0.2
85.02821	2.8
87.00754	3.7
89.02318	12.4
91.03884	0.4
93.03352	0.3
95.01263	1.0
95.04918	1.0
97.02818	2.1
99.00758	0.9
99.04359	0.2
101.02324	10.9
102.02618	0.2
109.02938	0.2
109.06490	0.5
111.00782	0.3
111.04408	0.6
111.08023	0.2
113.01539	0.3
113.02328	6.1
115.03890	0.2
119.03390	3.5
119.04154	0.4
121.02755	0.2
125.02337	4.9
125.05987	0.6
125.09656	0.2
131.03439	0.4
133.04955	0.3
135.08057	0.6
137.02254	0.2
137.85757	0.2
139.03914	0.4
141.01822	0.4
143.03413	2.4
145.04922	0.3
147.11671	0.2
149.04468	0.4
161.04471	3.1
163.11197	4.5
164.11546	0.2
165.12773	2.3
167.03389	0.4
169.04945	0.2
179.05511	4.4
181.12251	0.4
185.04420	0.2
191.10666	0.8
199.06050	0.6
199.13364	0.3
207.10173	0.3
209.11768	100.0
210.12100	6.2
217.07121	0.5
221.06592	1.4
223.13480	0.2
225.11227	0.4
227.12843	11.9
228.13133	0.6
233.22816	0.2
235.08183	4.7
245.06502	0.3
251.12914	0.6
253.09288	0.8
259.08258	0.4
259.20764	0.2
263.07681	0.6
275.19983	0.2
277.21719	40.5
278.22064	4.0
287.07675	1.8
291.23315	0.2
305.08807	1.8
309.27496	0.2
323.09756	1.0
374.43582	0.2
379.12439	5.5
380.12888	0.4
397.13483	31.5
398.13834	2.6
415.14542	8.3
416.14865	0.8
589.25165	0.6
607.25830	1.3
675.35626	0.3
885.47443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98397	0.2
71.01257	0.4
72.01598	0.1
73.92194	0.1
75.10279	0.1
77.40920	0.1
79.95598	0.1
80.96388	0.5
85.02819	0.2
87.00777	0.1
89.02322	0.2
94.97979	0.1
98.38999	0.1
101.02346	0.3
109.06464	0.2
113.02366	0.1
125.02399	0.2
144.42403	0.1
151.75284	0.1
163.11235	0.1
207.10255	0.4
208.10608	0.2
209.11792	0.3
225.00795	0.1
225.11220	0.4
226.11684	0.2
227.12755	0.1
235.08232	0.1
255.23354	0.1
277.21719	0.4
278.22186	0.1
297.77771	0.1
312.81638	0.1
356.43558	0.1
397.13327	0.4
398.13699	0.2
416.21323	0.1
446.48965	0.1
530.55127	0.1
625.81805	0.1
714.93146	0.1
884.47107	0.6
885.47083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	18.9
69.03326	3.3
69.41499	0.8
71.00855	1.5
71.01252	29.0
71.04892	2.4
72.99179	2.5
73.02804	4.4
75.00753	2.5
78.95812	1.1
80.02531	1.8
80.96378	1.5
81.03327	2.8
83.01258	2.2
83.04893	4.0
85.02341	1.3
85.02818	8.4
87.00744	8.8
89.02319	17.2
95.01270	1.6
97.02829	15.2
97.06461	2.8
99.00758	20.7
99.04397	1.0
101.02321	17.8
107.04910	1.2
109.06486	19.2
110.03632	2.4
110.06729	0.9
111.00795	1.0
113.02329	10.9
119.03395	3.4
123.04449	1.5
123.08041	1.3
125.02345	9.1
125.09603	7.0
135.08076	3.0
136.05182	3.0
142.02626	3.3
143.03401	2.3
145.10112	1.4
148.98956	0.9
161.04488	4.7
161.09607	1.7
163.11198	17.1
164.11465	0.9
179.05499	4.2
179.10756	1.6
181.12267	20.0
182.12717	1.7
189.09129	2.5
197.11772	1.1
199.13330	3.0
201.11296	2.8
207.10207	100.0
208.10641	5.1
209.11803	4.1
210.12115	1.3
211.13373	1.1
219.18425	0.9
221.06638	3.2
223.13362	1.1
225.11278	88.5
226.11676	5.1
235.08109	6.5
243.12364	23.8
244.12808	1.7
255.23343	1.4
256.23691	1.1
259.20728	1.2
263.07626	2.0
277.21722	73.3
278.22092	5.8
287.07620	1.6
317.16025	1.4
379.12436	6.4
387.53348	1.1
397.13486	33.8
398.13727	4.3
415.14523	8.9
605.24567	17.7
606.24719	2.5
623.25360	13.2
624.26282	2.1
883.46942	82.1
884.47089	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	882.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98378	0.2
70.50674	0.1
71.01276	0.2
93.03325	0.2
96.95887	0.3
98.20569	0.4
101.02312	0.2
111.00817	0.2
113.35913	0.1
125.61169	0.1
134.01886	0.1
141.99324	0.2
161.02368	0.2
191.05666	0.2
207.10185	0.2
209.11917	0.3
225.11372	0.2
229.41209	0.2
284.93924	0.2
397.13599	0.2
420.17093	0.2
569.56396	0.2
575.17633	0.2
776.14679	0.2
883.48218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
66.23569	0.2
71.01255	0.5
75.00728	0.2
78.95792	0.5
79.18242	0.2
79.95617	0.3
80.96404	0.9
88.96030	0.2
89.02377	0.2
94.88351	0.2
94.97995	0.2
101.02318	0.4
111.69850	0.2
136.77116	0.2
151.65538	0.2
164.98471	0.2
171.10165	0.3
207.10251	0.6
209.11719	0.3
225.11307	0.4
235.08200	0.4
253.09338	0.6
255.23344	0.4
277.21756	1.2
293.21274	0.4
294.21729	0.4
318.89633	0.2
327.21820	0.6
365.69217	0.2
397.13229	0.5
400.76334	0.2
421.80988	0.2
523.60168	0.3
777.95349	0.3
882.48383	0.8
883.45886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4023
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98688	2.7
69.03328	5.6
71.01254	18.1
71.04883	2.2
71.50831	1.2
72.99168	2.7
73.02816	3.6
75.00771	0.8
80.02541	2.0
81.03325	2.7
83.01247	2.2
83.04888	5.8
84.02036	1.4
85.02824	5.3
86.44326	0.8
87.00745	3.2
89.02319	13.8
89.08309	0.8
93.03317	1.3
95.01253	1.5
95.04887	1.4
97.02831	2.3
97.06448	0.8
99.00746	1.4
101.02318	8.8
111.04414	0.8
113.02297	5.9
119.03387	2.8
119.04885	0.8
122.28665	0.7
123.08041	2.0
125.02309	3.6
125.05983	0.9
125.09626	3.7
127.11123	0.8
131.03386	1.0
133.02852	4.7
134.03589	1.2
135.04430	5.1
135.08066	1.2
137.02321	0.7
137.09494	0.7
137.11284	0.7
143.03349	1.1
149.02425	0.7
149.04393	0.8
149.09555	1.0
151.11163	3.0
153.12730	1.3
161.02365	9.9
161.04463	1.4
161.09627	3.9
163.03905	0.7
163.11246	3.7
165.12766	3.5
173.04457	1.0
175.02560	1.0
178.02618	0.8
179.03410	6.2
179.10664	6.5
191.05574	5.2
191.10739	1.1
191.48122	0.7
197.11761	63.6
198.12117	3.0
209.11769	63.1
210.01622	0.9
210.12051	3.9
218.05618	0.7
220.47679	0.7
221.06564	2.3
223.09741	1.6
227.12863	3.7
231.61255	0.7
235.08234	2.1
241.10732	5.4
253.69107	0.9
383.98459	0.7
397.13428	2.0
719.26532	1.2
849.37604	100.0
850.37903	20.7
881.40558	49.6
882.40814	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	879.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96099	1.9
64.96899	0.4
67.32235	0.4
69.03311	1.1
71.01253	9.6
72.99199	0.6
73.02830	2.2
78.95764	1.1
78.98464	9.0
79.95123	0.6
79.95605	22.6
80.96388	100.0
81.03310	0.9
85.02820	3.5
87.00741	3.9
93.97219	0.5
94.97961	22.1
96.95896	1.4
97.02832	2.4
98.20593	0.9
99.00764	0.7
101.02335	3.1
101.02905	0.4
106.97991	3.6
113.02322	0.5
122.97462	4.5
125.02328	3.7
127.03922	1.1
129.52011	0.4
134.97466	7.7
136.99016	2.3
143.03458	0.6
145.04884	0.5
146.97485	0.9
148.99045	8.8
152.98534	8.0
161.04449	0.6
164.98552	15.9
167.00192	0.5
171.10181	1.0
179.00081	0.7
188.98582	0.7
206.99675	3.7
225.00685	27.5
226.01062	0.7
229.41164	0.5
241.01318	0.6
254.54352	0.4
255.23300	2.4
262.43216	0.5
283.04962	1.1
313.18097	0.5
337.95767	0.4
341.05411	0.6
537.27209	2.6
623.27667	1.8
624.28668	0.5
709.38434	2.7
710.38416	0.5
737.38470	0.7
781.40802	0.6
826.40155	0.5
876.67761	0.5
879.51294	66.6
880.51367	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	881.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24284	0.2
67.01785	0.2
67.53627	0.2
69.03331	1.4
70.78976	0.5
70.84470	0.2
71.01257	12.5
72.99185	0.7
73.02806	1.3
77.03844	0.6
80.67975	0.2
81.03333	0.8
83.01257	1.2
85.02820	3.8
85.38767	0.2
87.00759	1.1
87.27534	0.2
89.01759	0.5
89.02322	9.3
89.03842	0.4
90.68764	0.2
90.98421	0.2
93.03339	0.9
95.01279	1.6
95.04908	0.2
97.02831	1.4
99.00764	0.7
101.02325	6.7
105.03338	0.8
107.04916	0.3
109.02860	0.3
113.02333	5.0
115.01768	0.6
117.03372	0.7
119.03390	3.5
119.04893	0.3
121.02872	0.6
123.04403	1.1
125.02342	3.7
131.03421	0.6
132.02071	4.0
133.02856	57.4
134.03271	1.8
135.04417	13.3
136.04768	0.8
137.02322	0.5
139.03937	0.4
142.35503	0.3
143.03423	0.6
146.03639	0.6
147.04437	0.9
149.04459	0.5
149.05997	0.4
151.03979	0.2
158.03596	0.6
159.03183	0.2
159.04402	1.7
159.08066	0.2
160.01530	0.4
161.02357	100.0
162.02702	3.7
163.07640	0.3
172.05257	1.1
173.04477	0.6
173.05986	2.2
174.06807	0.4
175.03943	0.5
175.07683	0.3
177.05447	0.3
178.02675	0.2
178.99942	0.3
179.03435	8.4
179.05499	0.7
179.06958	0.4
180.03819	0.7
187.03976	1.4
187.07578	9.4
188.08067	0.6
189.05502	0.4
190.06256	0.8
191.05498	1.4
191.10687	0.3
200.04803	0.2
201.05524	2.7
201.09126	0.2
202.06299	11.7
203.03514	0.2
203.06816	0.9
203.10718	0.5
204.04317	0.3
204.07907	0.4
213.09187	0.8
215.07153	0.6
216.07813	0.9
219.10286	1.1
220.07350	1.5
221.06584	0.4
231.10217	8.1
232.10559	0.6
249.11292	3.9
250.11760	0.3
275.09259	0.6
407.13565	0.4
411.16626	0.4
544.18604	0.3
557.21826	0.3
573.21387	0.6
701.26508	0.3
719.27667	16.0
720.27795	2.7
863.30389	0.7
881.30872	44.7
882.31140	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	879.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	0.6
63.47777	0.6
69.03315	1.5
70.88010	1.1
71.01257	16.8
71.04883	2.6
72.99169	1.5
73.02811	2.7
81.03323	1.0
83.01253	2.3
83.04899	0.7
85.02835	4.5
87.00749	3.7
89.02317	13.1
95.01288	0.9
95.04861	1.5
97.02840	4.7
97.06457	1.9
99.00765	11.4
101.01709	0.9
101.02325	10.4
109.06467	1.2
113.02333	6.1
119.03376	2.4
123.08028	1.3
125.02309	3.3
125.09599	4.8
127.11180	0.7
135.08150	0.7
142.02609	1.0
143.03366	1.9
161.04401	1.5
163.11215	6.9
171.10158	6.2
179.05563	1.5
179.10699	0.9
181.12277	10.5
197.11794	1.6
199.09665	0.9
199.13336	9.4
201.11209	1.9
207.10226	26.2
207.12207	1.3
208.10512	1.9
221.06737	1.3
225.11279	38.5
226.11636	1.9
235.08130	1.8
243.12323	9.5
255.23280	51.2
256.23611	3.8
291.19620	1.2
374.24512	0.8
379.12646	1.4
397.13461	10.3
415.14520	1.7
605.24615	2.8
623.25427	2.1
641.27173	1.0
653.36749	1.0
861.48639	13.0
862.49268	3.4
879.49609	100.0
880.49988	24.3
880.67365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	7.2
62.50216	0.8
69.03326	1.1
71.01252	16.7
72.67952	0.7
72.99181	1.1
73.02807	2.2
78.95749	1.0
81.03325	1.7
81.85346	0.7
83.01270	1.9
83.04884	1.4
85.02825	3.3
87.00764	3.5
89.02312	10.8
95.04899	1.0
96.79536	0.7
97.02817	2.8
97.06460	1.8
99.00748	1.4
99.04404	0.8
101.02331	8.9
109.06485	1.7
113.02330	5.2
119.03377	2.5
121.06480	0.8
123.04383	1.5
123.08025	1.6
124.01475	0.9
125.02352	1.8
125.09621	3.3
131.03403	0.9
135.08044	1.2
137.09634	1.6
143.03381	2.1
153.15874	0.8
161.04416	2.9
163.11168	5.1
165.09303	0.8
171.10178	14.6
177.12732	0.9
179.05495	2.4
179.10762	1.1
179.14409	1.3
181.12273	1.8
185.11742	3.5
191.14302	3.7
195.13829	9.6
197.11800	1.9
199.13315	0.9
201.11169	4.2
207.10172	5.3
209.11757	9.2
211.13316	1.2
221.06549	0.9
223.13283	6.3
225.11253	9.8
228.13593	1.2
231.21204	1.0
235.08171	4.4
235.33411	0.8
237.11333	1.9
243.12444	1.6
245.19034	7.4
253.09258	21.4
255.23296	19.0
256.13089	1.2
256.23627	2.5
263.20102	1.8
263.51459	0.8
265.28058	0.8
275.20175	6.7
289.18091	43.1
290.18478	2.4
293.21216	100.0
294.21503	7.5
307.19135	43.1
308.19464	3.1
379.12335	3.4
397.13559	12.5
398.13705	1.1
415.14374	1.8
445.20575	1.2
525.26764	1.2
529.29828	1.4
543.27972	1.2
594.36365	0.8
623.25446	1.0
653.38074	1.0
819.49396	1.1
861.48486	1.2
879.49261	6.9
880.49158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	7.8
69.03313	3.3
71.01254	100.0
71.50056	1.2
71.69834	1.2
72.99168	2.8
73.02819	8.0
78.95779	3.3
81.03337	2.5
83.01266	4.1
83.04914	1.7
85.02811	8.1
87.00755	6.9
89.02327	25.1
91.77589	1.1
95.01254	3.8
95.04916	2.0
97.02821	6.2
97.06441	1.3
99.00715	5.7
101.02312	23.4
101.72868	1.2
109.02822	2.0
109.06481	5.3
111.00771	2.4
111.04414	1.8
113.02325	14.6
119.03410	7.9
121.06464	1.2
121.52116	1.1
122.49561	1.4
123.08076	1.6
125.02341	10.9
125.09595	4.4
127.11172	1.5
131.03351	1.4
141.01852	1.8
143.03400	5.1
161.04489	4.4
163.11197	7.3
167.10820	1.3
171.10181	49.1
172.10545	3.2
179.03810	1.1
179.05470	5.5
181.12341	5.8
185.11758	2.9
189.09045	2.2
197.11766	3.2
199.09650	1.9
201.11269	22.3
207.10207	29.2
209.11708	1.7
215.12862	2.3
221.06564	2.1
223.09709	2.2
225.11272	54.6
226.11702	3.4
235.08165	8.4
243.12326	7.5
253.09297	2.9
255.23262	92.2
256.23575	8.8
287.07843	2.6
293.21191	1.4
305.08698	1.9
379.12457	9.5
380.12817	1.4
397.13474	54.5
398.13852	4.4
405.04880	1.5
415.14597	13.2
439.14468	3.7
605.24524	5.3
606.24939	1.5
623.25415	7.5
635.36975	2.1
653.37244	4.5
685.16150	1.5
835.46277	1.7
861.48474	21.6
862.48578	5.4
879.49554	5.7
880.49011	2.1
899.05591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	4.3
69.03322	1.6
71.01254	100.0
71.04881	1.1
71.49383	1.3
72.99154	2.0
73.02808	4.6
75.00731	1.1
75.63097	1.0
78.95775	1.6
79.95576	1.1
80.02570	1.0
80.96380	1.8
83.01239	2.6
85.02809	5.4
87.00759	3.3
89.02323	12.2
97.02816	4.5
97.06423	1.2
99.00745	4.9
101.02326	12.7
109.02765	1.1
109.06476	3.0
113.02334	7.5
116.92728	1.4
119.03378	4.2
123.08044	1.6
125.02334	4.4
125.09610	2.7
127.11127	1.3
143.03389	1.6
147.70474	1.0
161.04445	2.4
163.11201	5.6
171.10175	15.8
179.05586	1.7
181.12228	4.3
185.11752	2.4
199.13373	2.6
201.11282	12.3
207.10213	22.2
215.12746	1.2
221.06627	1.2
225.11263	24.7
235.08246	5.2
243.12326	4.1
253.09351	1.9
255.23270	55.7
256.23593	3.3
260.16055	1.1
277.21768	4.7
293.21228	3.6
375.76456	1.2
379.12271	5.8
397.13458	25.1
398.14078	1.8
415.14484	4.8
437.73865	1.4
579.72083	1.2
600.25745	1.3
605.23956	2.9
623.25330	5.7
653.36871	2.0
678.14624	1.2
861.48560	11.1
879.49438	33.2
880.49658	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	878.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	87.6
71.01257	5.5
71.42075	1.3
71.42428	1.3
72.99194	1.4
73.02824	1.4
78.95768	1.1
83.14876	0.9
83.75697	0.9
85.02813	6.0
85.10540	0.9
87.00757	1.2
88.98676	7.6
89.02313	2.3
93.03320	1.7
95.01282	1.6
101.02320	2.1
109.02818	1.4
113.02327	6.6
116.92712	1.2
117.03272	0.9
121.02822	1.3
132.02068	1.3
133.02850	24.4
134.03685	5.7
135.04411	71.0
136.04787	2.0
137.02322	3.4
139.03894	1.0
142.86583	1.0
151.03842	1.7
161.02347	60.3
162.02722	2.4
171.10202	1.0
172.05113	1.7
173.04518	1.4
173.05920	2.2
175.03922	1.6
178.02644	5.3
179.03416	100.0
180.03773	4.2
181.05000	3.2
187.07574	3.2
191.05553	3.4
201.05540	5.5
201.09163	1.5
202.06194	2.2
203.03423	1.5
209.11758	3.6
229.08623	3.0
230.09460	4.5
231.09985	1.1
246.05412	1.0
323.07516	1.0
325.09305	1.7
397.13431	1.2
404.94797	1.0
486.13898	2.1
487.14572	22.3
488.14648	2.5
568.16937	1.1
717.23932	3.7
718.24780	26.3
719.24768	5.5
815.31232	20.8
816.31769	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	879.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96107	2.3
69.03320	0.8
71.01250	10.7
73.02834	1.8
75.00742	0.8
78.98463	6.2
79.95607	45.9
80.96391	100.0
85.02830	4.7
87.00751	2.9
94.97959	20.9
96.95873	1.6
97.02838	1.6
98.20589	1.3
101.02338	4.4
106.97967	4.2
122.97492	6.4
125.02321	3.4
125.44499	0.8
127.03895	1.3
134.97505	6.4
136.99039	2.2
143.68927	0.7
148.99037	6.3
152.98537	7.6
164.98547	15.1
167.00195	1.1
171.10150	1.3
179.00238	0.7
182.70360	0.7
188.98439	0.9
190.21074	0.7
206.99623	3.8
223.99841	0.8
225.00708	26.5
226.01120	0.8
239.23703	0.9
241.00287	1.1
249.03836	0.8
255.23206	1.9
341.05435	2.2
425.14624	2.0
453.14478	2.6
455.55997	0.8
537.27057	4.2
609.29211	1.9
623.31195	0.9
637.32330	1.3
679.37372	0.9
709.38409	49.4
710.38751	7.8
737.40857	4.2
765.41364	6.3
781.40582	6.3
782.41174	1.5
879.47943	31.3
880.48364	7.0
890.57910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	78.6
70.26577	0.4
70.26926	1.6
71.01263	6.5
72.99172	0.6
73.02836	0.6
81.03321	0.5
85.02815	5.0
87.00762	1.1
88.98717	0.5
89.02328	1.6
93.03346	0.9
95.01268	2.1
96.57179	0.4
99.00754	1.2
101.02302	1.1
101.07013	0.5
105.03320	0.5
107.04966	0.6
109.02843	1.2
113.02336	7.6
114.02703	0.5
117.03352	1.1
121.02840	1.0
123.04385	0.6
132.02075	1.3
133.02850	35.2
134.03693	5.4
135.04414	70.2
136.04770	3.0
137.02353	3.4
137.06004	1.0
139.03888	1.1
143.03424	0.9
147.04422	1.0
149.05952	0.7
150.03156	1.2
152.99576	0.6
158.03647	0.8
159.04414	1.4
160.01619	0.6
161.02353	73.8
162.02644	3.1
169.12247	0.4
172.05243	0.8
173.04536	0.7
173.05969	1.8
174.03139	0.9
175.03960	1.1
177.05501	0.9
178.02652	4.4
179.03418	100.0
180.03752	4.0
181.04996	3.8
184.03880	0.5
186.06796	0.8
187.04025	1.1
187.07549	3.9
189.05458	1.3
191.05511	2.1
200.04721	1.0
201.05504	7.1
201.09145	1.8
202.06216	2.2
203.03433	3.0
203.07022	1.5
207.10237	0.5
209.11760	1.0
211.13283	0.7
215.07095	2.1
228.07913	0.7
229.08693	3.8
230.09398	4.5
231.10158	1.3
233.04335	0.7
245.04489	0.8
247.09740	0.7
249.11230	0.9
251.05655	0.7
257.08493	0.5
323.07770	1.0
325.09229	1.5
325.20016	0.7
397.12878	0.5
485.13260	0.9
486.13864	2.4
487.14551	17.9
488.14935	1.5
556.20929	0.7
675.22656	1.0
717.24091	5.0
718.24768	27.7
719.25275	3.8
780.63513	0.6
815.31299	33.0
816.31586	7.8
868.42523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67773	0.4
61.98701	70.8
64.52007	0.4
71.01257	5.5
71.50728	0.7
72.99170	0.7
73.02827	1.0
83.01263	0.8
85.02828	6.4
87.00764	0.7
88.98663	0.9
89.02331	1.5
93.03357	1.0
95.01266	2.1
96.95934	0.5
97.02857	0.6
97.06483	0.4
99.00768	1.4
100.17318	0.5
101.02350	0.9
102.40509	0.4
105.03330	0.6
107.04920	0.7
108.22500	0.5
109.02849	1.5
113.02328	8.5
116.92699	0.4
117.03355	1.0
119.03381	0.5
121.02869	1.0
132.02055	2.0
133.02852	33.8
134.03680	4.6
135.04416	70.2
136.04738	3.2
137.02327	2.6
137.05960	0.8
139.03961	0.9
142.94548	0.5
143.03391	0.6
145.02815	0.6
147.04457	0.5
149.04620	0.4
149.05959	0.7
150.03157	0.8
151.03795	0.6
158.03603	0.6
159.04446	0.7
160.01587	0.6
160.05173	0.5
161.02353	76.6
162.02699	2.5
171.10255	0.8
172.05255	1.1
173.04597	0.8
173.06018	1.7
174.03085	0.6
174.06772	0.6
175.03897	1.1
177.05571	1.3
178.02632	4.1
179.03419	100.0
180.03740	4.1
181.05005	3.5
185.65433	0.5
186.06825	0.6
187.03970	1.3
187.07565	4.9
191.05562	2.5
191.07047	0.5
200.03152	0.6
200.04785	1.2
201.05522	7.3
201.09166	1.1
202.06294	2.6
203.03455	2.4
203.07082	1.3
209.11769	1.1
211.13277	1.1
213.05553	0.6
215.07007	2.5
221.04599	0.6
228.07890	0.8
229.08633	2.8
230.09413	4.4
231.06523	0.8
231.10191	1.0
233.04536	1.2
245.04478	0.9
249.11407	0.8
251.05598	1.3
257.08200	1.3
323.07739	1.3
325.09259	1.5
486.13962	2.9
487.14566	20.9
488.14828	2.0
555.20831	0.9
556.21747	0.8
653.28308	0.8
675.22705	1.1
717.24036	3.7
718.24762	27.7
719.24878	4.3
815.31323	31.6
816.31763	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	877.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16359	0.5
61.98700	1.2
67.01771	0.6
69.03335	4.5
69.61134	3.3
71.01257	14.7
71.04881	1.7
72.99180	1.8
73.02823	2.6
75.28910	0.5
81.03333	0.9
82.04755	0.5
83.01247	2.0
83.04909	0.6
85.02827	3.1
87.00761	1.8
89.02323	12.1
95.01251	0.6
95.04890	0.7
97.02823	1.5
97.06495	0.6
99.00784	0.8
101.02326	9.8
107.31254	0.5
107.99474	0.5
111.00825	0.5
113.02336	4.1
119.03387	2.9
123.08020	0.8
123.80654	0.5
125.02339	2.8
125.09605	1.2
143.03413	1.0
151.11162	1.9
153.01849	0.6
153.12775	1.7
161.04460	1.4
161.09634	3.2
171.10182	1.7
179.05530	0.9
179.10703	4.2
197.11772	58.5
198.12079	2.9
207.10039	0.5
209.11729	1.2
211.07581	1.3
211.13203	0.8
221.06599	1.8
223.09734	3.0
225.11288	0.8
235.08247	1.4
241.10822	2.9
253.09052	0.7
255.23285	31.4
256.23578	2.5
277.21783	0.7
293.21219	2.0
389.64832	0.6
397.13608	3.6
415.14346	0.8
510.13327	0.5
572.36011	0.6
639.25793	1.1
849.49060	0.6
859.47308	1.6
877.48029	100.0
878.48383	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31512	3.7
71.01235	0.8
79.34643	0.4
83.01260	0.5
83.23745	0.4
85.02818	0.6
99.04388	12.3
101.02306	3.3
107.01252	1.8
108.02010	0.8
109.02839	0.7
113.02304	0.4
119.22073	0.4
121.02806	1.4
125.02341	6.0
135.00764	0.8
143.03407	0.9
147.04399	0.6
148.01587	0.7
151.00278	5.9
159.04417	0.5
161.02408	0.4
163.00273	1.2
164.01062	0.4
169.01353	0.5
178.99780	2.1
191.05542	1.1
207.06534	0.5
211.03970	0.8
226.02707	0.9
227.03444	0.9
229.04890	0.5
233.54152	0.4
243.02962	5.3
245.04482	0.6
248.33521	0.4
254.02223	1.4
255.02954	14.3
256.03455	0.9
269.10114	1.0
271.02466	30.0
272.03021	2.8
273.03955	0.5
299.02063	0.6
300.02737	59.7
301.03476	25.8
301.07025	0.9
302.03842	1.4
311.11273	3.3
329.54755	0.4
413.14417	4.3
463.08804	100.0
464.09109	10.0
866.42468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	4.9
69.53578	2.1
71.01254	13.2
71.04887	1.0
71.68338	0.3
72.99180	1.1
73.02812	2.1
81.03354	0.5
83.01263	1.7
83.04900	0.4
85.02822	3.6
87.00753	2.7
89.02314	8.6
91.03896	0.4
95.01274	1.2
95.04912	0.4
97.02831	2.1
97.06467	0.7
99.00761	1.1
99.84288	0.4
101.02322	8.7
103.59012	0.4
103.75658	0.3
108.59966	0.4
111.00745	0.5
111.04443	0.6
113.02338	3.6
116.92758	0.4
119.03399	1.9
121.02860	0.3
123.08025	0.7
125.02351	2.0
125.09590	1.7
131.03290	0.4
132.51633	0.3
143.03389	1.1
151.11195	2.2
153.12733	0.8
161.04483	1.4
161.09631	3.5
179.05513	0.7
179.10696	5.8
197.11761	33.9
198.12102	2.2
198.13644	0.4
209.11717	0.9
221.06635	1.6
223.09691	1.0
235.08171	1.1
241.10869	1.9
255.23271	45.6
256.23615	3.9
269.24869	0.4
397.13669	2.6
415.14508	0.6
497.27136	0.3
571.29156	0.4
621.23755	0.5
639.25488	0.7
662.72156	0.4
877.47992	100.0
878.48383	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	10.4
69.03325	2.4
71.01250	8.2
71.49525	1.0
73.02813	1.3
78.95821	0.8
80.91557	1.2
81.03342	0.9
83.01270	1.0
83.04903	1.7
84.02039	3.3
85.02826	2.5
87.00756	1.8
89.02321	6.3
95.04918	0.9
96.95897	3.9
97.02838	3.6
97.06461	8.2
97.35396	0.7
99.00739	1.1
99.04417	1.2
101.02315	6.1
109.06483	1.4
111.08031	7.6
113.02340	4.4
116.92769	3.4
119.03365	1.8
119.08544	1.4
119.40854	0.7
125.09578	2.3
127.07512	1.1
127.11254	0.7
135.04445	1.1
135.08026	1.0
137.09616	1.5
151.11174	1.0
153.09132	1.0
159.97493	0.7
161.04468	3.2
163.11244	1.4
165.12732	2.1
169.12251	2.8
171.10181	16.3
175.11194	1.2
179.05449	0.9
181.12260	1.9
183.13757	1.0
193.12265	8.8
193.57358	0.7
197.11757	33.9
198.12085	1.6
199.13283	0.8
209.11726	4.8
211.13318	9.0
221.11771	1.1
223.13214	1.1
225.11491	0.8
225.14926	12.9
227.12845	3.1
235.08263	3.5
243.15971	7.0
247.20764	1.6
252.13826	0.9
253.09262	28.8
253.11945	1.4
253.14427	1.0
254.09497	0.9
263.20142	1.4
264.84430	0.8
289.18155	2.0
291.19656	24.8
292.20038	1.6
293.21155	3.5
307.19098	1.8
309.20706	66.4
310.21042	4.3
323.18750	1.1
323.22250	1.5
325.20306	1.6
327.21780	2.1
341.23306	100.0
342.23581	6.8
357.22891	2.2
369.58188	0.9
446.28183	0.7
527.29114	0.8
545.29706	2.2
577.32440	2.8
633.43726	5.2
634.43768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98404	0.2
71.01273	0.4
71.40938	0.3
79.95625	0.2
80.96391	0.3
83.01324	0.1
89.02323	0.4
101.02335	0.2
125.02354	0.2
171.10199	1.4
172.10580	0.5
255.23346	0.7
256.23721	0.8
257.23993	0.3
283.02597	0.2
283.94504	0.2
364.92413	0.2
397.13770	0.3
398.13873	0.3
399.14136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	6.2
69.03336	1.4
71.01254	15.8
72.99180	2.3
73.02833	2.5
77.13927	1.3
78.95759	2.1
80.96371	2.1
81.03294	1.2
83.01208	1.3
84.84351	1.6
85.02811	3.1
87.00726	2.8
89.02301	11.8
89.52678	1.4
97.02807	2.7
97.06457	2.6
98.20598	2.1
99.00741	1.3
101.02321	11.8
102.49552	1.2
113.02328	5.4
117.29094	1.3
119.03376	2.2
125.02323	2.1
143.03377	1.5
149.87830	1.2
151.11177	10.0
167.74257	1.3
169.12253	65.6
170.12628	3.1
177.01796	1.9
179.05443	2.1
191.05530	2.2
195.10138	2.0
196.72850	1.4
199.00510	1.2
209.11717	1.9
213.11247	9.0
221.06624	2.1
244.04108	1.4
253.09355	1.7
277.21701	20.2
293.21091	2.9
305.17645	2.5
341.23233	1.5
343.24786	1.5
355.84607	1.6
397.13501	2.0
412.63052	1.3
415.14548	1.3
580.04755	1.4
871.46899	100.0
872.47095	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	875.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	48.5
71.01256	15.1
71.17214	5.2
71.49451	8.5
78.95782	17.3
87.00756	25.8
88.00293	10.4
88.98682	37.6
89.02316	11.5
96.95933	8.5
101.02347	6.3
105.01786	8.9
111.70792	7.3
116.92757	37.6
117.92752	6.7
131.08160	21.9
135.04495	13.2
151.26659	6.8
171.10165	14.4
173.10367	17.2
179.03511	9.1
191.05504	8.7
203.00233	7.0
211.13326	18.2
223.13300	7.6
235.08179	12.8
253.09222	47.5
260.08405	6.5
264.21384	6.2
293.21252	100.0
294.21518	10.6
309.20688	11.5
327.21689	89.1
328.22141	10.4
498.80450	8.0
505.20703	7.3
545.29858	10.2
563.30737	8.5
576.04510	7.5
594.66138	8.8
700.43195	8.8
791.55640	7.9
875.49829	35.6
876.49481	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	869.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	7.5
65.45163	1.0
69.03326	2.7
70.67530	0.8
70.69682	2.9
71.01259	10.5
73.02821	1.8
78.87400	1.0
78.95772	1.4
79.75069	0.8
80.96396	2.8
81.03301	0.8
83.01271	1.3
83.04893	1.8
84.02041	4.7
85.02840	3.3
87.00703	1.9
89.02318	7.4
95.04862	1.1
96.95919	4.5
97.02825	3.9
97.06467	7.1
99.04390	1.0
101.02331	7.0
102.05470	1.6
109.06496	1.9
111.08038	8.7
113.02322	2.9
116.92725	6.6
119.03386	2.2
119.08533	0.9
125.02313	1.4
125.09618	1.5
127.05044	1.1
127.07558	1.8
128.03421	2.4
133.02805	1.2
135.04427	1.9
137.09636	2.3
139.11244	0.9
145.05109	0.9
145.06073	5.0
146.04498	4.5
161.02332	2.6
161.04442	3.6
163.48451	0.9
165.12790	2.2
169.12279	4.6
171.10176	24.1
172.10591	1.4
179.03415	1.5
179.05479	1.9
181.12280	1.8
185.11867	1.1
191.05579	1.5
193.12267	7.5
195.13824	1.4
197.11766	43.7
198.12100	1.9
199.13332	2.5
209.11734	4.8
211.13353	13.8
221.12001	0.9
225.14903	12.2
227.12946	2.0
235.08183	5.5
243.16023	5.1
245.19102	1.1
253.09265	36.2
253.14561	1.2
263.20181	3.2
273.18622	2.5
277.21686	2.5
289.18225	1.3
291.19653	24.3
291.22733	1.6
292.19934	1.7
293.21326	0.9
307.19131	1.7
309.20703	83.3
310.21005	6.3
323.22287	2.0
325.20084	1.8
327.21567	2.1
341.23309	100.0
342.23788	7.0
474.87192	0.9
545.29395	2.7
577.32007	2.6
633.43799	6.7
634.43915	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	869.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	1.9
67.01760	1.2
70.88815	0.4
70.89159	0.8
71.01244	1.6
77.70348	0.3
85.02817	0.8
89.02312	0.9
91.06381	0.3
93.03341	0.9
101.02334	0.8
109.02822	2.4
111.00758	0.4
113.02322	0.8
116.92767	0.8
119.03326	0.4
123.00782	0.8
123.04395	0.5
131.43672	0.3
133.02840	2.1
134.03610	1.0
135.04408	2.4
136.01559	2.1
137.02342	21.4
138.02979	0.6
140.25980	0.4
147.00841	0.6
149.02356	1.0
149.04459	0.8
150.03137	1.2
151.00270	5.0
151.03915	2.7
152.00923	0.7
152.04704	0.6
153.01768	0.4
161.02345	6.4
162.02950	0.9
163.03918	1.1
164.01003	2.0
164.04742	1.0
165.01843	100.0
166.02606	12.0
167.03366	1.2
175.03926	0.8
176.04694	0.7
177.01825	1.0
177.05464	0.5
178.02646	0.7
179.03415	21.8
179.06853	1.9
180.04199	53.4
181.04977	31.7
182.05284	0.8
187.04012	0.6
191.05530	1.3
192.04256	0.9
193.04959	1.0
194.05807	4.1
195.02939	2.3
195.06561	60.8
196.06895	2.6
202.06291	0.9
203.06982	0.4
205.04936	1.9
207.06560	1.2
209.08142	5.0
209.11745	1.1
210.05266	9.4
211.05919	1.1
219.06676	0.3
220.07246	0.9
221.69189	0.4
225.07631	41.6
226.07948	1.4
264.78683	0.4
275.09283	1.2
283.13647	0.4
301.03094	0.4
320.36066	0.4
327.16312	0.7
344.09137	0.4
350.42664	0.4
387.10226	0.6
387.14462	1.2
388.11533	0.4
402.13239	0.9
403.13968	1.5
416.14709	1.1
417.15530	7.8
418.15842	0.6
468.78522	0.4
507.17126	0.4
565.17047	0.8
594.21063	2.8
595.21808	14.9
596.22375	2.0
625.22876	0.6
642.23865	0.5
643.23761	3.9
649.23157	0.5
712.29456	0.8
773.28137	4.2
774.28607	0.9
803.28534	0.5
821.30359	1.0
869.32690	2.1
869.84680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81317	0.1
61.98704	100.0
62.23432	0.1
64.92015	0.2
71.01254	0.5
71.50031	0.3
72.99215	0.2
74.17410	0.1
78.95798	0.6
88.98689	0.2
89.02348	0.2
96.95912	0.5
116.92744	0.2
126.90163	0.1
135.04411	0.2
153.30103	0.1
171.10211	0.5
176.18768	0.2
191.05597	0.2
207.10341	0.2
209.11795	1.1
210.12181	0.2
211.13370	0.2
227.12962	0.2
467.06989	0.2
469.08887	0.2
548.93921	0.2
597.83179	0.2
866.53400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	2.5
63.96109	0.9
69.03328	0.6
70.70219	0.9
71.01251	8.4
72.99183	0.8
73.02817	1.5
75.00748	0.9
78.95778	0.7
78.98465	3.6
79.95608	100.0
80.96390	57.9
81.03354	0.7
81.65345	0.4
83.01273	0.5
85.02815	2.3
87.00755	2.4
89.02320	2.5
94.97959	11.4
95.01269	0.5
96.95893	1.9
97.02821	2.0
98.19740	0.4
99.00765	1.0
99.04393	0.4
99.53161	0.4
101.02313	3.9
106.97965	3.4
111.94633	1.0
113.02331	1.4
119.03396	0.9
122.97473	3.3
125.02320	3.3
127.03919	0.7
134.97481	5.0
136.99040	2.4
143.03351	0.4
148.99059	4.2
151.11253	0.4
152.98560	4.8
161.04488	2.2
164.98540	8.5
167.00041	0.5
169.12259	2.8
171.10181	6.6
179.00116	0.5
183.77863	0.4
200.75223	0.4
206.99648	4.3
207.10274	0.5
209.11768	4.3
210.12143	2.2
211.12387	1.2
223.99864	2.4
225.00687	20.0
227.12845	0.6
235.08098	0.7
241.00220	3.8
243.01526	0.4
255.23264	10.5
256.23569	2.0
283.04797	0.9
309.20868	0.5
341.05453	5.9
355.07025	1.2
379.12143	0.7
397.13565	1.9
399.14035	1.3
413.07657	0.6
415.14359	0.5
425.14828	8.6
426.15369	0.7
427.09381	0.5
483.16037	0.4
497.17099	1.1
507.15359	0.9
537.27228	6.2
538.27490	0.8
553.27057	0.6
579.28363	0.8
592.61115	0.4
601.41229	0.4
609.29462	2.1
623.31049	1.0
637.32379	2.8
638.32837	0.4
651.34253	1.0
663.37616	0.8
665.35962	1.0
679.37646	2.7
705.38110	0.6
719.40710	0.9
735.39819	1.1
753.71149	0.4
763.39362	23.5
764.39667	5.3
765.40997	10.3
766.41235	1.7
781.40485	11.9
782.40942	2.8
866.45984	2.0
867.49585	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	867.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28888	0.8
61.98689	3.7
66.48335	0.8
68.99684	18.3
71.01250	3.5
71.51058	1.7
73.02789	1.0
73.26963	1.0
75.00742	1.3
83.04881	1.1
85.02804	2.8
87.00727	1.6
89.02306	2.2
93.03328	2.7
95.01249	3.7
95.04871	1.1
96.95914	1.3
99.00735	0.9
101.02320	2.1
105.03327	1.4
106.01038	1.0
108.02012	1.4
109.02836	6.5
113.02347	1.7
120.02013	1.3
121.02801	3.0
122.99926	1.3
123.00772	16.2
124.01509	2.1
125.02345	7.6
125.99437	1.1
133.02838	2.9
135.00826	1.0
135.04373	2.2
137.02336	21.4
137.99501	1.2
138.03136	29.1
139.03989	4.2
147.00758	1.6
148.01573	1.4
149.02354	4.6
149.04402	2.3
150.03104	2.7
151.00238	2.6
151.03874	2.3
153.01848	10.9
153.05473	40.5
154.05861	1.8
155.03378	1.9
160.01555	3.4
161.02409	6.0
162.03098	2.5
163.00276	2.7
163.03905	1.8
164.01047	1.0
165.01842	61.9
166.02634	9.1
167.03360	1.4
168.04192	36.4
169.04556	0.9
171.10127	1.8
173.04404	1.4
175.00262	10.4
176.01076	30.7
176.04608	1.0
177.01834	23.5
177.05447	1.6
178.02637	12.2
179.03421	13.2
180.04195	36.5
181.04953	11.3
190.02693	1.8
191.03398	27.0
191.05490	5.0
192.04207	47.3
192.99577	1.4
193.01352	24.1
193.04945	16.6
194.01802	1.3
194.05774	4.7
195.02864	2.1
195.04816	1.9
195.06570	33.5
197.04361	1.3
201.05424	1.5
202.06183	1.2
205.05008	3.2
207.06567	47.8
208.03711	37.7
208.06912	2.4
209.04521	5.3
209.08116	22.0
209.11732	6.5
210.05278	5.7
211.05907	2.8
211.13245	2.9
219.06554	1.2
223.06071	100.0
224.06396	5.2
225.07640	17.9
225.11029	1.2
229.14392	1.9
238.04691	3.0
327.21796	11.1
377.12094	1.8
387.10541	1.9
388.38907	0.9
397.13528	1.9
402.13235	1.3
403.14178	1.1
415.14334	1.0
417.15961	4.4
449.14743	1.7
595.21655	1.8
611.20587	1.6
640.21582	18.9
641.22205	15.6
642.23041	2.5
643.24316	0.9
805.26886	1.2
819.28827	2.0
837.29535	2.0
867.30597	29.6
868.30957	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	865.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	19.6
62.84270	0.6
63.96089	1.6
69.03329	1.0
70.81068	1.6
71.01254	10.0
73.02821	1.3
75.57743	0.9
78.98464	7.8
79.95603	21.2
80.96387	95.0
81.03342	1.7
85.02831	4.7
87.00722	4.3
94.97958	21.7
96.95900	2.0
97.02824	2.2
99.00756	1.3
101.02299	2.2
106.97952	4.8
116.92751	1.0
122.55156	0.8
122.97456	4.1
123.11716	0.8
125.02319	6.0
127.03889	1.4
134.97456	8.0
136.98990	1.9
148.99030	10.0
152.97411	1.4
152.98534	10.4
164.98546	19.5
206.99562	5.3
211.43498	0.8
225.00687	38.4
226.00984	1.5
255.23192	3.1
283.05017	1.2
327.21634	1.0
385.96973	0.8
537.27203	2.3
609.25739	2.4
649.24048	0.9
672.92395	0.9
865.49792	100.0
866.50122	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.4
63.08072	0.2
68.99670	0.3
69.03322	0.8
70.71861	0.3
70.98106	0.5
70.98446	0.3
71.01253	16.3
72.01611	0.3
72.99188	1.3
73.02810	2.6
75.00726	0.4
77.58335	0.2
80.02546	1.0
81.03327	1.8
81.57031	0.2
83.01266	1.7
83.04890	4.2
84.02041	0.8
85.02826	4.3
87.00753	3.9
89.02317	15.4
95.01243	1.2
95.04906	0.7
97.02823	2.7
99.00755	1.1
99.04385	0.3
101.02322	12.5
109.06525	0.5
111.04389	0.5
113.02333	7.5
119.03388	4.0
121.02834	0.2
125.02335	6.4
125.06020	0.6
127.03854	0.4
131.03386	0.7
131.33911	0.2
133.04932	0.5
135.08073	0.6
137.02339	0.3
139.03886	0.5
141.01828	0.4
141.10172	0.3
143.03404	2.6
149.04501	0.5
161.04472	3.4
163.11189	3.2
165.12740	2.4
167.03427	0.6
167.20984	0.3
169.05022	0.4
179.05530	3.5
181.12231	0.4
185.04501	0.3
191.10739	1.2
199.06015	0.4
199.13268	0.2
207.10258	0.3
209.11769	100.0
210.12123	5.6
217.07121	0.6
221.06647	1.0
227.12851	12.0
228.13152	0.4
235.08195	5.0
251.12779	0.4
253.09296	0.8
255.23273	53.0
256.23627	4.4
259.08105	0.4
263.07703	0.6
269.24829	0.6
287.07724	1.3
305.08722	2.3
323.09705	0.9
361.11383	0.3
379.07520	0.4
379.12445	7.7
397.13483	35.7
398.13849	3.0
415.14578	7.6
416.14966	0.6
589.25269	0.7
607.25848	0.7
649.71613	0.3
653.37616	1.1
689.08130	0.3
791.24426	0.3
863.49023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01604	0.2
61.02558	0.2
61.98683	0.4
64.19317	0.3
67.07281	0.2
69.03330	1.1
70.43542	0.3
71.01252	15.8
71.07545	0.5
72.99181	0.9
73.02821	2.6
75.00751	0.5
80.02535	1.2
81.03326	2.0
83.01266	1.6
83.04897	4.6
83.92845	0.3
84.02058	0.8
85.02825	3.2
85.03298	0.3
87.00745	4.0
89.02318	12.1
91.03857	0.3
93.03370	0.3
95.01245	1.3
95.04896	0.9
97.02827	2.7
99.00767	0.9
101.02327	10.3
109.06480	0.9
113.02322	6.1
119.03378	3.8
121.02869	0.3
123.04436	0.2
125.02338	5.6
125.05977	0.7
125.20943	0.2
127.03835	0.3
131.03378	0.5
133.04974	0.4
135.08058	0.7
142.02644	0.2
143.03403	2.0
149.04420	0.3
161.04443	3.0
163.11197	4.6
164.11531	0.4
165.12758	2.2
167.03363	0.4
179.05511	3.9
181.12294	0.7
191.10727	1.1
199.06114	0.3
199.13252	0.4
207.10178	1.7
208.10544	0.9
209.11769	100.0
210.10318	0.4
210.12112	5.1
217.07178	0.6
217.28897	0.3
221.06625	1.5
225.11255	1.1
226.11630	0.5
227.12845	11.1
228.13100	0.5
235.08182	4.8
245.06662	0.4
251.12961	0.6
253.09300	0.9
255.23265	43.3
256.23572	3.5
263.07602	0.4
277.09247	0.3
287.07730	1.5
301.09183	0.3
305.08679	1.7
306.08780	0.3
323.09808	0.7
379.12442	7.7
380.13086	0.5
397.13489	30.9
398.13895	2.8
399.13959	0.6
415.14551	6.9
416.14743	0.6
589.24756	0.6
607.26093	1.3
608.25311	0.3
653.37048	0.6
716.82526	0.3
863.49402	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	863.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54088	2.1
71.01257	0.7
78.95777	65.5
79.95613	0.7
80.96384	1.9
83.99582	0.6
89.35399	0.7
90.08949	0.6
96.96844	15.3
111.08008	2.4
113.84235	0.6
122.97433	1.1
137.89267	0.6
152.98337	1.0
152.99495	14.5
167.10698	0.6
169.12248	1.9
171.10188	1.2
179.10748	0.8
190.06816	0.6
197.11766	17.3
209.11760	2.3
211.13329	4.8
217.00256	1.1
223.00119	4.4
241.01154	25.5
242.01530	1.2
255.23283	37.5
256.23511	3.6
259.02222	2.6
263.20059	0.8
286.66190	0.7
291.19653	4.8
297.03683	2.0
309.20709	6.0
391.22546	3.9
433.90991	0.6
445.19794	1.2
553.28040	4.0
607.24811	1.7
636.43201	0.7
696.39081	0.7
777.41785	0.9
862.50903	0.8
863.49261	100.0
864.49512	21.4
871.98602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	0.2
69.03323	0.8
71.01254	14.1
72.79287	0.2
72.99176	1.2
73.02822	2.2
73.80994	0.2
75.00737	0.5
80.02547	0.8
81.03328	1.6
83.01268	1.8
83.04897	4.2
84.02071	0.5
85.02823	3.3
87.00752	4.0
89.02317	13.5
91.03913	0.3
93.03323	0.3
95.01263	1.0
95.04900	0.6
97.02833	2.3
98.20566	0.5
99.00719	1.0
99.04398	0.3
101.02320	10.5
107.04903	0.2
109.02818	0.5
109.06413	0.2
111.00762	0.3
111.04414	0.7
113.02328	7.0
115.03875	0.3
119.03391	4.1
125.02337	6.1
125.03255	0.3
125.05969	0.5
131.03401	0.6
133.05017	0.2
135.08041	0.4
139.03926	0.5
141.01826	0.3
143.03403	2.8
145.04910	0.2
147.11745	0.2
161.04474	3.7
163.11200	3.1
165.12735	2.1
167.03380	0.6
169.04984	0.2
179.05531	3.5
181.12212	0.4
191.10764	0.9
199.06055	0.6
209.11766	100.0
210.12103	5.7
217.07108	0.9
221.06691	1.2
227.12845	13.1
228.13155	0.7
233.39561	0.2
235.08200	5.5
236.08516	0.4
245.06514	0.3
251.12762	0.4
253.09290	0.8
255.23267	50.8
256.23581	3.8
259.08359	0.5
263.07544	0.3
269.24838	0.5
277.09363	0.3
287.07721	1.6
305.08716	2.1
323.09717	1.4
361.11322	0.4
379.12445	8.5
380.12659	0.6
397.13480	43.2
398.13870	3.3
415.14563	8.5
416.14764	0.4
543.31433	0.2
589.24976	0.7
607.25952	0.9
635.36249	0.4
653.37579	1.8
654.37994	0.3
785.34241	0.2
886.27234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91891	0.5
61.98701	3.7
69.03326	3.4
69.15820	6.2
71.01252	27.8
71.04898	2.1
72.99191	1.8
73.02813	4.0
80.02547	0.6
81.03326	3.2
83.01270	3.6
83.04903	2.7
85.02817	7.1
87.00751	7.9
89.02312	17.1
91.03832	0.6
93.03362	0.6
95.01251	2.8
95.04896	1.1
97.02828	16.3
97.06477	2.9
98.03157	0.6
98.19854	1.6
99.00758	22.7
101.02319	18.6
106.04117	0.9
109.02831	1.2
109.06471	17.8
110.03615	2.1
110.06825	0.7
111.00770	0.9
111.04368	1.4
113.02334	9.1
119.03395	3.5
121.06493	1.2
123.04417	1.4
123.08077	1.5
125.02321	9.5
125.09600	8.0
131.03395	1.1
135.08058	2.6
136.05196	2.2
139.03909	0.8
141.01784	1.1
142.02594	3.1
143.03403	2.7
159.03050	0.7
161.04456	3.2
161.09650	2.0
163.11192	17.9
164.11533	1.1
179.05515	4.0
179.10693	0.8
181.12257	20.5
182.12654	1.5
189.09154	1.0
197.11774	0.7
199.13336	2.0
207.10202	94.6
208.10493	5.0
209.11794	1.7
221.06590	2.0
225.11273	100.0
226.11627	5.5
235.08195	4.4
243.12352	29.6
244.12646	1.1
253.09456	0.7
255.23268	89.0
256.23596	8.3
263.07648	2.1
269.25143	0.7
287.07880	1.6
299.15094	1.2
305.08774	1.4
310.49786	0.7
317.15915	1.0
323.09845	1.1
379.12363	5.0
390.34164	0.6
397.13477	31.4
398.13876	2.4
415.14584	8.3
461.20337	1.2
469.01764	0.6
523.54211	0.7
555.49841	0.7
587.22620	1.0
605.24481	19.7
606.24884	2.0
623.25421	11.9
624.25970	1.4
653.38049	0.9
843.46667	0.8
861.48486	99.6
862.48822	24.8
862.65997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99715	0.7
69.03316	1.2
69.41753	4.5
71.01254	28.8
72.99178	2.5
73.02811	5.6
74.79822	0.5
75.00749	0.8
80.02538	0.7
81.03325	3.8
83.01237	2.9
83.04888	2.6
85.02817	7.6
87.00739	6.7
89.02317	20.2
93.03342	1.1
95.01260	2.3
95.04919	1.1
97.02258	1.0
97.02825	11.3
98.19789	0.8
99.00758	3.5
101.02317	19.6
107.04940	0.8
109.06474	29.0
110.03622	1.1
110.06791	1.4
111.00775	1.0
111.04420	0.9
113.02322	11.5
119.03374	5.3
121.06471	2.0
123.04399	0.9
125.02327	8.6
125.09608	1.0
127.03862	0.7
131.03450	0.6
134.08783	0.5
135.08044	4.3
136.05206	2.3
137.02397	0.6
141.01801	1.3
142.02588	2.2
143.03406	4.0
149.04459	0.7
161.04463	3.3
161.09630	1.7
163.11198	17.2
164.11508	1.3
179.05556	4.7
179.10693	1.3
181.12248	5.3
189.09094	2.6
207.10196	100.0
208.10518	5.9
209.11792	2.0
217.07101	0.9
221.06572	2.5
225.11273	35.6
226.11555	2.5
235.08205	5.9
243.12309	0.7
245.06734	0.8
253.09192	0.9
255.23260	84.5
256.23596	7.2
263.07767	0.7
281.13959	0.7
287.07684	1.8
299.15054	1.5
305.08707	1.6
323.09796	1.6
379.12460	7.8
380.12726	1.1
397.13498	48.6
398.13818	4.0
415.14548	11.0
416.14642	1.1
419.35358	0.8
587.23633	1.5
605.24457	5.1
623.25677	3.4
635.36334	0.9
653.37677	2.9
843.47382	1.6
861.48468	49.9
862.48938	14.5
862.61407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	54.0
66.81249	9.2
67.60110	9.9
71.01245	13.6
71.49734	12.1
71.50166	19.6
74.69172	10.4
77.12135	10.1
78.95744	14.4
95.00018	12.4
101.02359	12.4
116.92729	100.0
117.92776	11.8
147.08049	11.0
152.95988	9.4
152.99533	13.5
197.11700	21.0
209.76155	12.4
211.13329	15.5
212.75571	10.5
253.09282	35.5
277.21698	22.7
293.21265	81.9
295.22610	25.4
304.05075	10.7
309.20694	34.0
343.24802	33.6
857.47211	45.1
858.49634	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	855.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	4.1
69.03323	2.7
69.94641	1.7
71.01248	9.0
72.99157	0.4
73.02789	1.6
78.95779	0.6
81.03336	0.5
83.01237	1.5
83.04873	1.2
84.02003	0.6
85.02824	8.7
87.00752	2.1
89.02310	5.5
93.03364	0.4
95.01232	0.8
95.04891	0.9
96.95895	3.7
97.02839	4.1
97.06474	3.0
98.19843	0.5
101.02316	8.5
109.02895	0.4
109.06454	0.9
110.03629	0.4
111.00731	0.4
111.04409	0.6
111.08035	6.5
113.02331	4.3
119.03378	1.7
119.08494	0.4
123.04359	0.5
123.08028	0.4
125.02333	0.6
125.05928	0.6
125.09602	2.0
127.07477	0.5
127.11145	1.4
131.03288	0.6
133.04871	0.7
135.04446	0.5
137.09624	3.0
139.11243	0.5
141.09137	0.6
143.03369	1.0
145.04942	1.3
151.11197	0.8
153.09103	0.4
153.12740	0.8
155.10680	1.0
155.14340	0.6
161.02295	0.9
161.04482	3.8
163.11183	1.2
165.09125	0.4
165.12761	2.6
167.14319	0.8
169.12279	3.0
171.10176	25.4
172.10489	1.2
175.11330	0.5
177.12761	0.9
179.05495	1.2
179.14207	0.4
179.42735	0.4
181.12263	1.9
183.13850	4.4
185.11699	1.2
191.05463	0.8
191.14185	0.4
193.12277	1.7
193.15894	0.7
195.13818	0.7
197.11760	33.1
198.12154	2.2
199.13342	2.5
201.11198	1.3
203.10582	0.4
207.10187	0.4
209.11731	3.8
211.13336	20.0
212.13731	1.7
221.11801	2.4
223.13358	0.8
225.11253	0.7
227.12849	2.8
229.14412	9.6
230.14706	0.7
235.08197	11.7
236.08528	0.5
239.12825	1.8
247.20645	2.4
253.09256	39.8
254.09528	1.6
257.13882	0.4
263.20081	1.3
265.18112	1.3
273.18631	1.3
291.19666	29.6
292.20062	2.7
293.21234	1.3
309.20700	98.9
310.21024	9.4
327.21750	100.0
328.22083	10.0
343.21429	0.7
433.20752	0.6
527.28424	0.9
545.29639	5.3
546.30267	1.2
563.30682	6.1
564.31134	0.9
619.42059	5.2
620.42334	0.9
638.78674	0.4
856.52527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05820	1.0
61.98706	6.7
71.01253	9.4
71.49860	2.0
72.99160	1.6
73.02805	2.4
78.95776	1.0
80.96393	3.4
83.01272	1.6
83.04859	1.9
85.02832	6.1
87.00747	2.3
89.02315	4.0
95.01259	1.4
95.04899	1.3
96.95891	2.0
97.02789	1.5
97.06474	3.4
99.92436	1.4
101.02318	6.8
107.20502	1.0
109.06435	1.2
110.47289	1.0
111.08049	8.5
113.02312	4.1
115.91939	0.9
116.92755	14.1
119.03324	1.0
121.27252	1.0
125.09608	1.3
137.09641	2.4
154.06131	3.5
155.10654	1.5
161.02448	1.2
161.04459	2.8
163.11206	1.5
165.12714	1.8
167.10637	2.1
171.10176	17.6
175.24663	1.0
177.12740	2.1
179.10690	1.7
183.13799	3.7
185.11725	2.1
191.05478	1.2
193.12262	1.5
195.13843	5.5
197.11688	2.1
209.11763	12.1
211.13353	14.9
212.13550	1.9
221.11740	3.0
223.13602	1.1
229.14386	12.0
235.08101	5.4
239.12831	1.9
241.01335	1.0
247.20586	3.3
253.09274	25.8
273.18481	1.4
275.20178	2.0
282.96011	1.2
291.19672	94.4
292.20020	8.9
293.21149	4.9
307.19363	1.3
309.20715	7.8
310.21017	1.8
327.21771	100.0
328.22165	10.3
492.42035	1.1
527.28436	1.4
563.30518	2.4
751.37512	1.5
767.33667	1.7
807.01434	1.2
855.43140	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	851.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.6
61.98701	26.5
71.01247	12.1
71.50388	1.0
71.50793	0.7
72.99158	1.2
73.02808	1.1
78.95776	1.1
79.95618	1.1
80.96387	2.7
85.02814	7.5
87.00750	1.3
89.02321	3.2
91.98145	0.6
93.03357	1.1
95.01255	3.0
96.95882	2.1
99.00792	0.9
101.02319	2.8
105.03342	0.7
107.04906	1.4
109.02827	2.1
110.98151	0.7
113.02329	10.0
116.92730	2.4
117.03342	1.2
118.75290	0.7
119.03349	0.8
123.04451	0.9
132.02051	1.4
133.02846	35.8
134.03682	5.2
135.04413	73.9
136.04720	4.0
137.02335	2.6
137.05962	0.7
139.03851	0.9
143.03430	0.8
158.03627	1.3
159.08044	0.7
160.01472	0.9
161.02350	81.2
162.02655	3.7
163.11201	1.4
171.10204	2.4
172.05246	1.3
173.04445	0.7
173.05977	1.8
174.06601	0.8
177.05511	1.1
178.02663	5.0
179.03415	100.0
180.03783	5.2
181.04990	3.5
187.03883	1.8
187.07558	3.3
189.05249	0.8
191.05487	3.4
200.04671	1.3
201.05479	7.8
201.09225	1.9
201.11147	0.8
202.06218	2.7
203.03426	2.3
203.06982	0.9
207.10191	1.1
209.11749	10.3
211.13356	4.7
215.07111	1.3
225.00769	0.8
225.11237	2.1
227.12828	1.5
229.08673	2.7
230.09433	4.8
231.10043	0.8
245.04498	1.0
249.11295	0.7
251.05623	1.2
317.66791	0.7
325.09195	1.9
397.13510	2.6
445.84604	0.8
475.20526	0.6
486.13776	3.0
487.14587	19.0
488.15057	2.4
717.24121	5.4
718.24677	24.2
719.24963	5.3
815.31207	30.9
816.31628	6.4
851.40912	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	2.5
69.03309	1.5
71.01251	6.3
72.99148	0.4
73.02801	1.4
76.26126	0.4
78.95766	0.7
80.96378	0.4
81.03297	0.6
83.01238	1.0
83.04876	1.1
84.02022	1.7
85.02815	2.2
85.53813	0.4
87.00745	1.3
89.02322	3.5
89.91789	0.4
93.03313	0.5
95.04897	0.8
97.02802	1.0
97.06464	8.3
99.00731	0.5
99.04414	0.7
101.02323	6.6
109.06490	0.4
111.08013	1.8
113.02325	2.9
119.03381	1.2
125.09595	1.7
127.22749	0.4
131.03355	0.5
137.09576	1.0
143.03506	0.6
145.04974	0.5
149.13286	0.5
160.19267	0.4
161.04454	3.3
163.11264	0.7
165.12715	1.2
167.10689	0.7
171.10181	8.5
175.11243	0.8
179.05548	1.2
179.10756	0.5
179.14331	0.9
181.12201	0.7
182.06377	0.4
183.13802	0.8
185.11758	1.3
193.12280	10.8
195.13840	7.4
196.14307	0.6
197.11775	7.7
205.15950	0.5
209.11726	2.1
211.13321	5.1
221.11781	1.1
221.42862	0.4
223.13336	5.5
224.13780	0.4
225.14903	17.0
226.15358	1.1
227.12819	0.6
228.13565	0.7
235.08191	2.3
235.13397	0.5
243.15990	6.8
245.19019	1.6
253.09254	30.8
253.13689	0.7
253.14468	1.2
254.09631	1.4
256.13004	0.6
263.20151	0.5
266.61700	0.5
273.18655	0.6
275.20090	4.6
289.18094	3.9
291.19669	6.1
292.19931	0.9
293.21210	87.3
294.21570	7.8
305.21121	0.8
305.92831	0.5
307.19055	2.9
309.20648	5.0
323.22336	1.2
325.20316	1.4
341.23300	100.0
342.23645	9.8
469.47232	0.4
529.30334	0.9
577.32294	3.6
578.33093	1.0
617.44220	8.3
618.44312	2.0
853.48096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
61.98702	100.0
62.98397	0.2
69.16790	0.2
71.01257	1.2
71.50240	0.2
73.02799	0.1
73.27357	0.2
75.00758	0.2
78.95780	0.5
80.96385	0.7
85.02828	0.2
87.00800	0.2
89.02292	0.4
94.55048	0.1
96.95891	0.3
101.02309	0.2
106.95826	0.2
109.06467	0.2
113.02342	0.4
119.18363	0.1
133.02861	0.4
134.03635	0.2
135.04414	0.9
149.04497	0.2
153.28914	0.2
161.02357	0.7
163.11205	0.2
171.10228	0.4
179.03442	1.0
191.05518	0.7
201.11252	0.2
207.10240	0.2
209.11765	1.2
211.13431	0.2
225.11337	0.3
227.12839	0.2
230.09604	0.2
240.73680	0.2
282.98212	0.2
397.13614	0.4
586.70172	0.2
665.09052	0.2
718.25403	0.2
815.32813	0.2
850.39618	0.4
851.40161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.3
61.71719	0.2
61.98701	100.0
69.78538	0.7
69.78960	0.3
71.01263	0.5
78.95785	0.4
79.95613	0.3
80.96389	0.8
85.02840	0.2
89.02290	0.2
92.43044	0.2
94.97978	0.2
96.95908	0.4
98.19930	0.3
99.00771	0.2
113.02394	0.2
122.16479	0.2
135.04472	0.2
152.99538	0.2
161.02403	0.2
168.43652	0.2
171.10234	0.4
173.04449	0.2
187.07561	0.2
195.91071	0.2
209.11855	0.7
225.00737	0.3
287.16769	0.2
291.19598	0.3
293.21201	0.2
443.55444	0.2
469.55829	0.2
529.34546	0.2
538.10236	0.2
680.27100	0.2
850.43951	0.2
851.41559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
61.98702	100.0
62.98406	0.2
63.99145	0.1
69.67316	0.3
69.67738	0.6
71.01261	0.5
80.96390	0.5
89.02345	0.2
96.95891	0.4
98.07134	0.1
116.92758	0.2
135.04483	0.2
146.80092	0.1
161.02312	0.2
161.16008	0.1
171.10178	0.4
191.05602	0.3
207.10242	0.2
209.11841	0.5
211.13432	0.1
253.09265	0.2
279.24896	0.1
291.19794	0.2
309.20993	0.2
323.18924	0.1
470.93118	0.1
518.34094	0.2
585.91052	0.2
607.99304	0.1
850.38843	0.2
851.42126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
61.98700	100.0
62.98405	0.1
64.98451	0.1
70.98024	0.2
70.98341	0.1
71.01250	1.3
73.02809	0.1
78.01742	0.1
78.95792	0.2
80.96413	0.1
83.01261	0.1
83.04883	0.1
85.02841	0.3
87.00761	0.2
89.02341	0.3
94.97964	0.1
96.95899	0.3
100.76810	0.1
101.02371	0.2
109.06379	0.1
113.02328	0.1
114.52472	0.1
125.02345	0.2
143.42325	0.1
161.04468	0.1
163.11226	0.2
169.73933	0.1
171.10226	0.5
179.03374	0.1
181.12215	0.1
191.05521	0.2
201.11250	0.4
207.10251	0.3
209.11778	1.6
210.12221	0.1
213.68816	0.1
223.60934	0.1
225.11285	0.6
227.12932	0.1
231.47223	0.1
396.27969	0.1
397.13754	0.4
415.14832	0.2
476.52487	0.1
815.38580	0.1
851.40430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.4
65.87076	0.6
66.70770	0.6
68.52264	0.7
69.03284	0.6
71.01243	1.9
71.48165	1.0
75.27174	0.6
78.95776	60.9
78.98442	1.7
79.95621	3.3
80.02641	0.5
80.96387	16.0
85.02787	0.8
87.00741	1.0
94.97963	4.6
96.49900	0.5
96.96843	12.8
97.64195	0.5
99.00814	0.5
101.02313	0.8
101.54082	0.5
106.97955	1.1
113.09573	0.7
122.97472	2.8
134.97491	0.9
134.98433	0.8
148.98952	1.2
149.15157	0.6
152.98557	1.0
152.99510	13.2
164.98547	1.2
175.13904	0.6
186.21463	0.6
195.13832	5.0
200.71251	0.6
205.12379	0.7
206.99530	0.6
223.00107	5.1
223.13286	2.0
225.00731	2.9
232.08542	0.6
235.17119	0.7
241.01151	25.6
255.23265	37.5
256.23700	2.9
259.02158	1.8
275.20187	2.4
279.23163	0.7
290.66702	0.6
293.18066	1.1
293.21240	16.6
294.21509	1.4
297.03949	1.4
311.29047	0.7
315.04996	0.8
363.31082	0.7
369.21350	0.6
391.22644	3.5
392.22729	0.8
410.23221	0.6
429.20276	1.6
432.36331	0.7
553.27881	2.1
591.25177	0.9
617.17712	0.7
680.76184	0.6
708.24078	0.6
847.49597	100.0
848.49994	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.2
61.98684	2.9
69.03346	0.9
69.75526	0.8
70.69707	2.7
71.01253	15.5
72.99171	1.3
73.02805	2.0
78.95792	1.0
85.02809	3.7
87.00748	2.7
89.02312	11.8
95.01280	1.0
95.04910	0.9
97.02809	1.7
97.06449	3.5
97.89652	0.7
101.02328	10.7
113.02318	3.6
113.70197	0.8
118.46844	0.8
119.03394	2.2
125.02335	2.6
126.19723	0.8
128.73267	0.8
151.11182	11.3
161.04393	1.1
169.12260	40.7
170.12607	1.6
179.05495	1.2
195.10139	1.5
213.11281	6.1
221.06619	1.3
235.08156	2.0
255.23262	48.3
256.23529	4.0
363.24292	0.9
397.13367	3.3
653.55261	0.9
849.48492	100.0
850.48840	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	847.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
59.14394	0.4
61.98707	1.0
63.96110	2.3
64.99548	0.3
69.03336	1.1
71.01252	10.2
71.05479	0.4
71.11638	0.8
72.99175	0.4
73.02819	1.6
78.98468	7.3
79.95607	18.0
80.96390	93.8
81.03330	1.0
81.96358	0.4
82.95969	1.2
83.01228	0.4
85.02822	4.1
87.00753	3.1
91.55549	0.4
94.97960	21.2
96.95875	1.5
97.02837	1.8
99.00787	0.4
99.04374	0.4
101.02306	2.5
106.97969	3.7
113.02356	0.4
122.97455	4.2
125.02327	3.3
127.03928	1.1
134.97473	6.9
136.99039	2.4
140.30966	0.3
146.97333	0.4
148.99051	8.4
151.97588	0.3
152.98547	7.9
164.98543	14.2
167.00095	0.4
179.00235	0.4
188.98790	0.3
197.11757	0.5
200.14558	0.4
206.99658	3.6
217.51329	0.3
224.55835	0.3
225.00685	21.5
226.00946	0.5
227.00682	0.4
228.45061	0.3
255.23236	2.4
283.04956	1.0
283.89563	0.4
324.47659	0.4
537.27411	1.3
591.24670	2.1
592.26733	0.4
847.48718	100.0
848.49127	22.9
848.65881	0.8
875.20154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.6
61.98710	1.3
63.44751	0.3
65.41476	0.3
71.01260	6.1
72.99197	0.5
73.02824	0.7
75.00748	0.5
78.95806	0.7
81.03327	0.5
83.01286	0.4
83.04920	0.4
84.02078	0.3
85.02828	7.0
87.00755	1.0
89.02321	1.9
89.03825	0.4
93.03339	1.1
95.01260	2.5
97.02851	0.9
98.19781	0.7
99.00803	0.8
101.02340	1.0
102.30481	0.4
103.34068	0.3
104.02567	0.3
105.03355	1.2
107.04949	1.0
107.19116	0.3
108.02040	0.5
109.02853	1.4
113.02335	8.7
115.01799	0.4
115.69717	0.3
117.03355	1.1
119.03378	0.4
119.04887	0.4
121.02835	0.8
123.04418	0.6
124.01595	0.4
124.70422	0.4
125.02390	0.6
132.02092	3.0
133.02858	39.2
134.03696	5.2
135.04424	60.0
136.04767	2.6
137.02365	2.9
137.05991	0.5
139.03911	1.1
141.01659	0.6
143.03404	0.7
145.02864	0.5
147.04440	1.3
149.02313	0.5
149.04456	0.5
149.05968	0.5
150.03180	0.6
151.03899	0.4
152.79115	0.3
158.03633	0.5
159.04408	1.0
160.01564	0.6
161.02359	81.7
162.02710	3.6
163.03777	0.5
163.07523	0.5
165.01817	0.6
172.05121	0.7
173.04486	1.0
173.05992	1.5
174.03157	0.8
174.06679	0.3
175.03954	1.0
175.07574	1.5
176.08087	0.4
177.01878	0.4
177.05505	1.0
178.02629	5.0
179.03427	100.0
180.03781	3.4
181.04994	2.7
185.06097	0.4
187.04019	0.4
187.07590	2.4
189.05458	0.5
191.05556	3.9
192.05981	0.3
193.05040	0.4
195.10210	0.4
199.04007	0.4
199.09445	0.4
200.04674	0.6
201.05513	4.2
201.09174	0.8
202.06270	1.9
203.03470	1.9
203.07043	0.8
207.10228	0.5
209.11801	2.5
210.12177	0.4
211.13356	1.1
215.07132	0.7
221.04533	0.5
228.07692	0.4
229.08643	2.2
230.09462	2.8
231.10156	0.6
233.04500	0.6
245.04562	0.6
249.11292	0.7
251.05571	1.0
262.12143	1.4
283.13461	0.8
295.02020	0.3
305.06680	0.6
323.07651	1.4
325.09372	2.2
327.15802	0.6
397.13370	0.6
469.12506	0.4
485.12982	0.5
486.13690	3.1
487.14581	21.5
488.14978	2.4
555.20789	0.8
653.28192	0.5
664.23645	4.2
665.23822	0.9
717.23889	3.3
718.24872	8.9
719.25482	2.2
749.25055	0.6
750.27600	0.6
815.31335	9.9
816.31647	2.0
847.33508	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	841.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	84.9
60.01570	0.8
69.03338	0.7
71.01254	21.7
71.49651	0.6
71.50045	1.3
72.99171	1.3
73.02821	19.6
83.01238	3.4
85.02826	9.5
87.00751	2.9
89.02316	8.1
90.98479	0.8
95.01279	1.4
97.02821	1.1
99.00755	2.8
101.02323	20.1
113.02337	7.3
116.58221	0.7
119.03394	2.9
135.04420	1.0
143.03407	1.6
149.02477	1.0
149.04436	1.5
156.47604	0.6
159.02887	0.8
161.04468	24.2
162.04858	0.7
173.04538	1.0
175.61284	0.6
176.62367	0.7
179.03503	1.0
179.05522	2.9
180.04195	0.7
191.03645	0.7
191.05449	3.5
195.06593	0.9
225.44188	0.8
251.09134	1.5
269.10300	100.0
270.10617	5.9
292.57669	0.7
304.84332	0.8
311.11353	39.6
312.11652	2.5
411.16684	1.6
470.34933	0.7
558.20654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96106	3.2
64.59373	1.4
71.01259	9.7
73.02831	2.0
78.98447	6.6
79.95614	17.9
80.96393	93.5
85.02845	2.5
87.00737	4.2
94.97961	21.4
97.02808	2.8
101.02288	2.0
106.97950	4.1
122.97479	5.3
125.02344	3.4
125.34911	1.3
134.97482	7.3
136.99057	2.6
148.99072	7.5
152.98564	7.9
163.76682	1.8
164.98524	16.6
190.73747	1.5
206.99570	3.1
225.00659	22.4
252.93874	1.8
255.23427	1.9
288.66245	1.6
331.54718	2.0
747.39984	2.0
845.47223	100.0
846.47382	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	845.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.2
61.98703	100.0
62.98401	0.2
63.40998	0.1
70.23397	0.1
71.49689	0.2
71.50098	0.2
75.00737	0.2
78.95798	0.2
87.70753	0.1
88.98730	0.2
96.95831	0.1
122.67524	0.1
125.09620	0.2
129.10280	0.5
129.71002	0.2
171.10243	0.3
207.15030	0.4
209.11848	0.5
224.17769	0.2
242.18849	0.4
255.23245	0.2
295.21558	0.3
337.26031	0.3
357.37692	0.1
582.23566	0.2
782.51819	4.5
783.52539	1.3
845.43536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
60.01472	0.3
61.98719	0.5
69.23468	3.3
71.01256	6.7
72.99170	0.6
73.02820	0.7
75.00732	0.4
77.96621	0.3
78.95768	2.1
79.36175	0.3
79.95574	0.4
80.96400	0.6
81.03357	0.3
83.01278	0.5
83.04871	0.3
84.32941	0.3
85.02828	8.1
87.00759	0.6
89.02319	1.4
89.03844	0.5
93.03365	0.8
95.01260	3.2
95.04914	0.4
96.96877	0.3
97.02837	0.6
97.06489	0.3
99.00786	0.7
101.02338	1.1
105.03362	0.8
107.04922	0.8
109.02815	1.6
109.90192	0.3
113.02328	9.3
114.02671	0.3
117.03362	1.4
121.02850	0.9
122.03617	0.4
123.04426	1.1
125.02345	0.7
131.03513	0.3
132.02063	3.0
133.02850	40.2
134.03682	4.7
135.04414	61.8
136.01558	0.3
136.04752	2.4
137.02351	2.9
139.03926	0.9
143.03456	0.7
147.04427	1.4
149.02383	0.7
149.04562	0.4
149.05997	0.7
150.03152	0.6
151.03905	0.6
158.03664	0.5
159.04410	0.8
160.01567	0.9
161.02350	82.4
162.02686	3.4
163.03964	0.4
167.03435	0.4
171.10168	0.4
172.05257	0.6
173.04480	0.8
173.05988	1.3
173.09677	0.4
174.03177	0.8
174.06732	0.6
175.03886	0.7
175.07523	1.8
176.08189	0.4
177.05463	1.0
177.09064	0.6
178.02635	5.5
179.03418	100.0
180.03769	4.5
181.05016	2.1
186.06694	0.4
187.03928	1.4
187.07570	3.4
188.04721	0.4
188.07903	0.4
189.09062	0.4
191.05545	3.1
200.04707	1.0
201.05516	3.8
201.09181	0.8
202.06255	2.5
203.03438	2.6
203.07065	1.0
207.10112	0.4
209.11783	1.6
211.13354	1.2
213.09253	0.3
214.06184	0.4
215.07082	3.6
216.07692	0.4
217.05107	0.4
221.04480	0.7
221.08145	1.1
222.99930	0.3
225.00719	0.5
225.11240	0.5
228.07747	0.4
229.08727	2.1
230.09360	3.5
231.10164	2.2
232.07455	0.4
233.04521	1.3
241.01196	0.8
245.04453	0.6
247.09573	0.7
249.11267	0.5
251.05557	1.0
255.23250	1.5
257.08228	0.4
262.12082	1.8
263.12848	0.8
275.09283	1.0
278.07971	0.4
283.13467	0.3
293.21112	0.7
305.06653	0.6
307.11905	1.1
323.07718	1.9
325.09119	2.4
388.10571	0.3
397.13062	0.4
486.13788	2.6
487.14587	22.6
488.15045	2.1
529.17755	0.4
555.20441	0.5
556.21155	0.5
615.23071	0.4
653.27380	0.5
664.23529	5.7
665.24103	0.9
675.22748	0.5
717.23962	3.8
718.24695	9.5
719.25323	2.7
727.44147	0.4
750.27356	1.2
815.31256	10.4
816.31860	1.9
828.35425	0.4
847.33881	2.9
847.49585	4.2
848.35455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.1
61.27055	0.4
61.98704	4.9
62.35839	0.4
68.56731	0.3
69.03306	1.1
71.00912	0.5
71.01258	7.0
71.29581	0.6
71.29916	0.4
72.99154	0.5
73.02801	1.5
78.95764	0.4
80.96365	0.6
82.17010	0.4
83.01245	0.8
83.04879	1.1
85.02362	0.5
85.02824	6.3
86.03152	0.3
87.00741	1.6
88.07471	0.3
89.02313	3.2
91.03882	0.4
95.01265	0.6
95.04860	1.0
96.95866	0.4
97.02817	0.9
97.06474	3.1
99.00734	0.6
101.02331	6.5
109.06425	0.6
111.08028	0.4
113.02340	3.3
119.03375	1.1
125.09612	0.8
127.11142	1.4
137.09619	1.1
143.03397	0.6
145.05005	0.7
155.10663	0.9
161.04504	2.5
165.12733	0.4
167.10722	0.5
167.14340	0.8
171.10182	15.8
172.10579	0.6
177.12769	1.5
179.05504	0.9
179.14272	0.8
181.12173	0.4
183.13773	2.4
185.11691	1.0
193.12265	0.4
195.13831	7.9
196.14334	0.8
197.11725	1.0
201.11147	0.6
203.10794	0.5
205.12283	0.8
209.11778	1.5
211.13341	13.7
212.13580	0.9
221.11836	2.3
223.13354	5.6
224.13834	0.4
227.12820	0.4
228.13539	0.5
229.14432	10.5
230.14677	0.5
235.08208	6.9
239.12834	1.3
247.20660	0.5
252.08461	0.3
253.09273	33.0
254.09615	1.5
256.13107	1.2
275.20154	5.8
291.19711	5.0
292.20090	0.5
293.21231	100.0
294.21573	9.0
302.90363	0.4
309.20682	7.4
327.21774	77.5
328.22098	5.6
331.64984	0.3
396.62354	0.4
401.13492	0.4
452.00040	0.4
492.22876	0.8
514.27795	0.4
529.30609	1.9
545.29437	1.7
563.30841	4.9
564.31348	0.5
603.42688	4.0
604.43231	0.7
849.07745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
61.98698	0.5
67.01776	0.7
69.21109	5.1
71.01264	0.6
83.01248	0.5
85.02843	0.7
93.03347	3.3
95.04917	0.5
98.19788	1.0
107.64065	0.5
109.02850	2.2
113.02352	0.8
113.27785	0.5
116.92764	1.4
121.02870	4.5
122.03639	13.5
123.04477	0.5
124.01559	1.0
125.02364	0.9
133.02849	1.9
134.03677	0.8
135.04425	1.0
136.01564	4.2
137.02357	15.6
138.02933	0.6
146.03651	1.0
149.02356	16.4
149.04236	0.8
149.05992	0.7
150.03145	77.6
151.00267	3.4
151.03949	10.4
152.04768	0.6
161.02394	1.3
162.03148	0.6
163.03854	0.8
164.01021	0.7
164.04703	3.8
165.01859	72.2
165.05493	74.3
166.02626	9.4
166.05836	2.4
167.03368	0.9
175.03938	1.0
176.04652	0.6
177.01884	1.3
177.05534	1.1
178.02599	0.6
179.03436	12.9
179.07005	4.2
180.04216	42.6
181.04993	17.2
181.89456	0.5
182.05373	0.6
187.03964	0.6
191.03397	0.7
191.05556	1.3
192.04117	0.7
194.05757	2.9
195.06575	100.0
196.06906	4.8
205.05019	1.7
207.06503	0.6
209.08156	2.7
209.11760	1.1
210.05293	8.9
211.05939	0.5
214.77742	0.5
219.06580	0.5
220.07419	1.6
225.07651	44.0
226.08032	1.9
233.08218	0.6
251.09302	0.8
347.58005	0.5
373.13083	0.6
387.10373	1.0
387.14575	3.6
401.56461	0.5
403.13855	1.1
416.14905	0.7
417.15576	12.1
418.16010	1.1
456.90707	0.5
457.15546	0.5
483.00415	0.5
565.20807	4.6
566.20776	0.8
595.21844	11.0
596.22015	2.0
613.22937	2.7
625.22955	1.6
643.23920	2.5
649.38416	0.5
709.40814	0.7
738.57581	0.5
743.27478	1.0
791.29352	1.5
839.31189	1.9
840.31158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.9
61.66976	0.5
61.98703	1.1
65.71403	0.6
67.01771	1.3
69.33102	4.9
71.01250	1.3
73.02821	0.7
77.71115	0.5
85.02835	1.2
89.02338	0.9
93.03325	4.2
95.01256	0.9
95.04921	0.6
96.95877	0.9
98.19807	1.0
102.91602	0.4
105.03370	0.7
108.02046	1.1
109.02827	2.8
113.02350	1.0
116.92746	1.2
119.04858	0.6
121.02844	5.2
122.03632	12.5
123.00800	0.7
123.04414	1.8
124.01636	0.6
125.02302	0.7
132.02081	1.2
133.02844	2.1
134.03584	1.5
135.04425	1.5
136.01558	8.6
137.02342	24.3
138.03099	1.0
145.66435	0.5
146.03630	1.4
147.00809	0.9
147.04425	0.7
149.02347	22.5
149.05991	1.6
150.03130	78.9
151.00313	5.5
151.03925	22.8
152.01013	1.0
152.04633	1.1
153.01797	1.4
153.05450	0.9
161.02324	2.1
161.05989	0.6
162.03056	1.5
163.03929	1.5
164.01038	2.4
164.04724	6.4
165.01845	100.0
165.05481	61.7
166.02623	15.0
166.05763	2.6
167.03352	1.1
171.10178	0.8
175.03879	1.5
176.04695	0.6
177.01831	1.7
177.05449	2.0
178.02596	1.0
179.03418	21.6
179.07011	9.3
180.04201	53.7
181.04980	28.8
182.05339	1.4
184.03711	0.9
187.03925	1.6
191.03539	1.1
191.05534	2.5
192.04221	1.6
193.04935	1.5
194.05789	3.5
195.02936	2.6
195.06555	88.3
196.06943	4.2
205.04970	3.1
207.06525	2.0
209.08165	4.5
209.11751	2.1
210.05280	10.3
210.12047	0.6
219.06590	1.8
220.07253	1.9
225.07631	38.5
226.07924	1.9
271.25836	0.6
371.11368	0.9
373.13123	0.6
387.10495	1.5
387.14920	3.7
402.13184	1.3
403.14124	2.5
416.14517	2.2
417.15518	13.5
418.15842	1.4
535.16370	0.7
564.19543	2.3
565.20819	15.2
566.20795	1.3
594.20868	2.4
595.12512	0.9
595.21960	14.3
596.21960	1.9
600.73346	0.6
610.37122	0.6
613.22784	3.8
619.21509	0.7
625.22931	1.1
643.23633	1.7
649.37878	1.0
743.27264	9.7
744.27216	1.8
773.27631	1.9
791.29297	2.0
792.29480	0.9
826.30566	0.6
839.30597	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	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.1
60.11228	0.7
61.98705	0.9
67.01762	0.8
69.03313	1.9
71.01251	13.8
72.99152	1.0
73.02805	2.0
74.29425	0.8
78.95764	1.8
80.02502	0.8
80.96359	0.8
81.03337	1.6
81.33684	0.7
83.01257	3.5
83.04916	1.1
83.27930	0.9
84.77649	0.7
85.02835	3.6
87.00759	2.7
89.02324	9.0
89.86451	0.8
95.01271	1.2
95.04900	2.6
96.95890	2.8
97.02821	2.5
97.06469	2.2
99.00786	1.1
101.02315	10.6
109.06447	1.1
111.00787	0.9
111.08044	15.3
113.02335	6.1
113.06010	1.0
119.03416	1.9
123.04445	1.0
123.08037	1.1
125.02344	2.8
125.09610	5.2
127.07516	1.3
127.11203	1.8
131.03333	0.8
135.03008	1.6
137.09619	2.4
141.09067	1.2
143.03401	1.4
145.04933	0.9
149.05997	1.0
153.09076	1.0
155.10715	1.0
161.04472	4.1
163.11191	3.5
165.12758	2.0
167.10681	2.8
169.12299	3.8
171.10211	3.7
177.12743	2.3
179.05464	2.1
179.10695	1.9
179.14334	0.8
181.12294	1.5
185.11700	5.1
187.09784	0.8
191.14345	4.0
195.13840	10.7
197.11771	41.0
198.12115	2.0
199.09641	1.6
201.11266	30.9
202.11649	1.5
203.14401	0.9
207.10254	1.0
209.11781	14.5
211.13370	5.7
223.13347	6.7
225.11220	1.2
227.12856	4.5
228.13745	1.0
235.08188	6.4
237.11064	1.2
241.00975	1.0
245.19116	7.5
247.20639	2.2
253.09265	25.6
255.23251	11.3
256.13095	2.3
256.23697	1.0
263.20102	3.3
273.18619	1.9
275.20129	7.2
277.21661	2.5
289.18103	32.1
290.18430	2.6
291.19659	100.0
292.19937	8.1
292.22455	0.8
293.21222	80.8
294.21521	6.3
307.19138	23.6
308.19461	3.3
309.20703	31.2
310.21066	4.5
397.13538	9.1
398.13544	1.5
415.08621	0.8
415.14566	2.7
445.21027	0.8
527.28290	1.1
837.46442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.4
58.66712	0.4
59.01253	12.4
61.98705	1.0
69.03332	0.8
71.01255	11.8
71.50108	0.6
72.99185	1.2
73.02821	2.4
78.95778	1.3
81.03340	0.5
83.01257	1.4
83.04916	0.5
84.63258	0.4
85.02828	2.8
87.00745	2.6
89.02322	9.2
95.01250	1.1
96.95889	0.7
97.02815	1.9
97.06449	0.5
97.12408	0.4
99.00703	0.4
99.43369	0.4
101.02323	8.5
107.04956	0.4
110.67996	0.4
111.08008	0.5
113.02343	5.2
119.03426	2.4
123.04399	0.5
125.02343	3.7
125.09608	3.6
127.11187	4.5
131.03407	0.6
137.09596	0.9
139.03908	0.4
141.01915	0.4
143.03398	1.4
149.04465	0.5
155.10709	1.6
156.50381	0.4
157.12341	0.4
161.04486	1.9
165.09126	1.8
167.03545	0.4
171.10196	2.6
179.05525	1.7
183.10208	1.0
185.04523	0.4
185.11728	0.6
195.13855	1.2
197.11711	1.1
199.09723	3.1
200.10083	0.5
201.11261	100.0
202.11594	4.2
209.11748	1.0
211.13280	0.5
213.73856	0.4
221.06674	0.9
223.13292	0.7
227.12862	0.7
235.08176	2.8
236.97679	0.4
245.19038	0.7
253.09290	2.8
255.23264	25.9
256.23672	2.2
277.21652	0.8
287.07761	1.0
289.18146	3.2
291.19635	3.9
293.21210	8.0
305.08795	1.0
307.19040	2.7
309.20837	2.1
323.09863	0.5
329.53214	0.5
379.12463	1.7
397.13495	30.1
398.13760	1.6
415.09146	0.5
415.14615	8.2
421.33154	0.5
439.34192	0.9
581.24530	1.5
599.25342	1.4
653.37482	2.3
837.46539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.0
61.98701	7.3
67.01777	1.3
68.99683	17.3
71.01250	7.3
73.02816	1.7
78.39606	1.1
79.95598	2.0
80.96394	6.2
85.02831	3.3
87.00752	2.0
88.98679	1.6
89.02322	3.4
93.03370	4.0
94.97998	2.1
95.01243	5.5
96.95889	17.6
96.96842	1.3
97.02898	1.3
98.02346	1.3
98.95451	2.9
101.02314	2.8
105.03315	2.0
108.02046	2.5
109.02850	3.9
113.02291	1.4
116.92754	5.0
119.03407	1.8
121.02828	8.9
122.03636	14.5
123.00764	12.7
123.04410	2.3
124.01534	4.3
125.02355	9.0
127.54681	1.2
132.02011	1.7
133.02791	5.5
134.03673	2.5
135.04407	4.9
136.01514	1.3
137.02391	8.1
138.03120	29.7
139.03886	5.0
142.13834	1.3
146.03622	3.0
147.00795	2.2
149.02345	19.7
149.04337	2.7
150.03131	82.8
151.00269	3.9
151.03821	4.9
153.01862	10.2
153.05473	38.1
154.05768	1.8
155.03354	1.2
160.01598	1.8
161.02367	9.6
161.06023	1.6
162.03120	3.3
163.00331	3.3
163.03903	4.3
164.04684	5.3
164.98622	1.4
165.01808	10.3
165.05478	70.3
166.02632	6.0
166.05815	2.3
168.04178	33.7
171.10155	2.4
172.05261	1.2
173.04486	1.6
175.00275	11.2
176.01060	32.2
177.01848	20.7
177.05505	2.5
178.02574	14.2
179.03442	6.2
179.07048	22.9
180.04205	11.0
181.05017	8.1
190.02678	2.7
191.03423	25.5
191.05511	4.9
192.04196	41.5
193.01357	25.7
193.04987	15.2
195.06541	33.1
197.11809	2.3
201.05360	1.4
202.06378	1.2
202.46164	1.2
205.04961	2.6
207.06546	46.9
207.10100	2.2
208.03711	34.8
208.06824	2.7
209.04410	5.2
209.08098	1.2
209.11732	6.1
211.13397	1.8
215.07114	1.4
219.06540	2.4
223.06062	100.0
224.06497	5.2
225.00571	2.3
225.07674	2.8
225.11180	2.0
229.08572	1.6
238.04712	3.4
317.12540	1.4
397.13593	1.5
402.13284	2.2
417.15540	3.9
480.42758	1.2
640.21582	12.7
641.22162	15.4
642.22888	2.0
695.23230	1.9
713.23511	1.3
733.76996	1.2
777.35675	1.7
778.36218	1.4
807.29150	2.2
819.30035	2.1
837.28790	31.7
838.29224	7.6
853.96240	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	836.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98705	100.0
62.98402	0.3
63.99134	0.6
69.99235	0.8
71.01268	0.7
73.02822	0.2
75.57489	0.2
78.95781	0.6
78.98506	0.2
79.95605	0.9
80.96394	1.7
83.87519	0.2
85.02836	0.4
87.00762	0.2
93.03352	0.2
94.97972	0.5
110.51143	0.2
113.02328	0.4
116.92726	0.2
152.98491	0.2
161.02437	0.4
164.98592	0.4
179.03404	0.2
191.05626	0.3
209.11829	0.4
211.13765	0.2
225.00771	0.5
235.08047	0.2
542.27142	0.2
559.18750	0.3
717.29956	0.5
836.41840	1.2
837.41034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	6.2
61.98688	4.5
66.34946	0.9
68.99691	17.7
69.60628	2.4
69.61034	3.8
71.01250	6.6
73.02835	1.1
75.00776	1.2
83.04903	1.2
85.02826	2.9
87.00723	1.5
89.02329	5.0
95.01264	4.7
95.04922	1.7
96.95882	5.9
97.02831	2.3
97.03501	0.9
99.92445	3.1
101.02346	1.5
105.03323	1.3
108.02068	1.8
109.02862	5.1
109.99969	1.0
111.00729	1.0
113.02317	2.6
116.92755	36.3
117.92754	2.2
119.03349	2.0
120.02075	1.1
121.02871	6.1
122.03643	7.5
123.00770	16.4
123.04419	2.3
124.01514	2.3
125.02336	11.3
132.02061	1.7
133.02872	4.7
134.03618	2.9
135.04405	3.5
136.01625	4.7
137.02385	10.9
137.99458	2.0
138.03146	31.0
139.03952	5.0
146.03616	1.8
147.00842	1.8
149.02374	15.8
149.04420	2.3
149.05977	2.0
150.03148	43.2
151.00217	3.1
151.03923	9.2
153.01871	13.9
153.04263	2.0
153.05489	38.8
155.03427	1.3
160.01523	2.6
161.02374	7.4
161.04468	1.2
162.03040	4.3
163.00264	3.4
163.03929	2.0
164.04727	4.7
165.01865	14.6
165.04141	2.1
165.05501	36.2
166.02678	8.0
166.05847	2.0
167.03398	2.0
168.04213	33.3
169.04459	1.3
171.10168	1.9
175.00316	10.9
175.03873	1.5
176.01097	32.5
177.01880	24.2
177.05490	3.2
178.02673	14.7
179.03484	7.6
179.05508	1.1
179.07057	17.5
180.04263	9.7
180.07401	1.2
181.04988	9.1
185.67360	0.9
190.02621	2.4
191.03462	27.0
191.05504	3.8
192.04233	42.4
193.01373	26.6
193.05000	17.4
194.01877	1.8
194.05627	1.2
195.06569	13.7
201.05368	1.2
201.10941	1.1
205.04930	3.0
207.06596	49.9
208.03740	45.7
208.06900	3.3
209.04465	5.2
209.08195	1.0
209.11804	6.3
210.05141	1.3
210.12135	1.7
211.13283	1.4
215.07034	1.1
215.09001	1.2
219.06564	4.2
223.06087	100.0
224.06487	5.2
225.07562	2.9
225.11217	1.4
227.12875	2.2
238.04826	2.5
259.95132	1.2
277.44705	0.9
327.21741	2.7
328.22195	1.4
347.11273	1.0
377.12299	1.7
387.14536	1.7
397.13159	1.3
402.24411	1.0
415.14328	1.1
417.15579	3.2
449.14258	3.0
565.20599	5.2
571.05243	1.1
611.21368	1.9
613.22595	1.2
622.21167	1.0
623.20715	1.6
629.66473	1.2
640.21704	19.1
641.22357	14.1
642.22339	1.7
695.23462	1.5
705.32129	1.4
775.25568	1.6
789.27716	1.9
790.27209	1.0
807.28625	2.7
819.28314	4.1
837.29547	37.4
838.29871	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	835.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.5
59.01250	8.4
64.75481	0.2
69.03319	0.6
70.91162	0.2
71.01251	7.7
72.99166	0.5
73.02810	1.0
75.00746	0.4
80.02546	1.2
81.03321	1.8
83.01263	1.1
83.04895	4.5
84.02042	1.2
85.02829	1.8
87.00751	2.1
88.65541	0.2
89.01760	0.4
89.02314	6.8
93.03362	0.3
94.03594	0.3
95.01266	0.5
95.04890	0.7
96.95900	1.3
97.02834	1.0
97.06470	0.2
98.20564	0.5
99.00743	0.6
101.02325	5.8
101.03004	0.3
108.39146	0.2
109.02915	0.2
109.06463	0.3
111.04426	0.2
113.02338	3.2
119.03385	2.0
121.02840	0.2
125.02335	2.2
125.05965	0.6
125.09562	0.2
128.77719	0.2
131.03336	0.5
133.02838	0.4
133.04924	0.4
135.04404	0.4
135.08026	0.6
143.03410	1.6
149.04443	0.5
161.02327	0.6
161.04445	1.5
163.11195	4.1
165.12747	2.2
171.10153	0.6
173.04515	0.3
179.03409	0.4
179.05516	2.1
181.12262	0.6
191.05505	0.4
191.10727	0.8
209.11765	100.0
210.12112	6.0
210.13669	0.1
221.06639	0.8
221.11714	0.3
223.13336	0.3
225.11310	0.4
225.54250	0.2
227.12839	16.1
228.13132	0.8
235.08179	2.8
245.06537	0.2
247.13351	0.9
251.12794	0.3
253.09241	0.7
263.07809	0.3
265.14404	0.5
287.07758	0.6
305.08759	0.8
323.09827	0.6
379.12442	2.3
380.12967	0.2
397.13483	18.9
398.13800	1.7
415.14572	5.9
416.14673	0.4
589.24835	0.3
607.26288	1.1
627.26385	0.2
759.82947	0.2
799.37238	0.9
817.39752	0.3
835.39417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	0.4
59.01249	8.9
69.03329	0.5
71.01253	8.1
71.04865	0.2
72.99198	0.5
73.02800	1.1
75.00740	0.2
75.54804	0.2
77.29777	0.2
80.02553	1.2
81.03323	1.7
83.01263	1.2
83.04896	5.4
84.02042	0.8
85.02809	1.9
87.00743	1.8
87.04391	0.2
89.02314	6.7
93.03333	0.5
95.01274	0.4
95.04908	0.8
96.95903	1.0
97.02824	1.0
99.00803	0.5
101.02320	6.4
109.06438	0.3
111.04424	0.3
113.02332	3.6
119.03400	1.6
125.02326	2.8
125.05964	0.5
125.09622	0.3
131.03391	0.5
135.04398	0.5
135.08060	0.6
141.01923	0.2
143.03432	1.1
149.04402	0.4
161.02324	0.4
161.04472	1.6
163.11191	4.7
164.11571	0.3
165.12766	2.8
169.04970	0.2
171.10165	1.2
173.04477	0.3
173.45474	0.2
179.03474	0.6
179.05533	1.9
181.12234	0.9
191.05591	0.5
191.10651	1.0
199.13405	0.3
209.11774	100.0
210.12103	6.1
217.07027	0.3
221.06602	0.9
227.12843	15.3
228.13231	0.6
235.08163	1.9
247.13464	0.8
251.12944	0.5
253.09308	0.6
255.03108	0.3
259.08328	0.3
263.07864	0.5
265.14484	0.4
268.10635	0.2
287.07706	0.8
305.08661	0.6
311.42203	0.2
323.09787	0.6
379.12408	2.3
397.13501	18.3
398.13739	0.9
415.14633	5.0
589.25269	0.3
607.26093	0.8
629.65192	0.3
799.37628	0.9
835.39679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
61.98704	100.0
62.98398	0.1
70.70065	0.2
70.70444	0.2
71.00891	0.1
71.01262	0.3
78.95796	0.2
79.95622	0.1
80.96403	0.3
85.02866	0.1
96.95892	0.3
98.81141	0.1
124.70706	0.1
135.04491	0.1
152.99513	0.1
171.10205	0.1
191.05548	0.1
209.11815	0.2
289.18018	0.1
293.21326	0.1
478.70367	0.1
834.52075	0.3
835.40546	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	833.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	1.3
59.01249	31.3
61.98701	2.6
65.03851	0.9
68.99714	1.0
69.03339	2.8
71.01254	27.1
71.50938	1.1
72.99181	2.6
73.02815	3.8
75.00754	1.0
78.95779	0.9
80.02553	2.3
81.03326	5.4
83.01266	3.1
83.04900	9.8
85.02827	8.9
87.00746	5.5
89.02321	15.6
89.02856	1.3
93.03328	3.7
95.01267	2.7
95.04907	1.7
97.02816	9.2
97.03300	0.8
97.06493	1.3
99.00758	4.0
99.04465	0.8
101.02318	15.6
101.02929	1.1
107.04963	1.0
109.02850	2.0
109.06476	25.4
109.08507	0.7
110.03642	1.8
111.00777	1.2
111.04416	1.3
113.02327	11.1
117.03408	0.8
119.03421	4.5
119.04938	1.0
121.02814	1.0
121.06509	2.6
122.88430	0.8
123.04424	2.8
123.08102	0.9
125.02338	6.0
125.09650	3.6
126.90442	0.8
132.04475	1.4
133.02856	12.1
134.03612	2.8
135.04420	20.7
135.08034	4.6
136.04898	1.3
137.02344	3.4
139.03984	1.3
141.01894	1.1
142.02634	2.7
143.03410	2.3
145.10117	0.8
145.11272	0.8
149.04532	1.0
161.02348	26.1
161.04335	3.7
161.05870	0.9
161.09579	1.4
162.02710	2.8
163.11186	18.6
163.12502	1.1
164.11633	1.1
165.12790	3.4
167.03403	0.9
171.10109	4.4
173.04538	0.9
175.03885	1.8
177.09207	0.8
178.02682	2.3
179.03423	30.5
179.05527	4.1
179.10730	1.1
180.03767	3.1
181.12222	6.0
185.11743	1.3
187.07541	1.3
187.09679	1.1
189.05458	0.8
189.09146	1.3
191.05602	3.1
191.10736	2.3
201.11298	2.3
201.69165	0.7
203.03532	0.9
207.10205	70.9
208.10574	4.3
209.11771	100.0
210.12079	5.2
211.13380	1.0
213.09274	0.9
215.07047	1.3
221.06459	1.0
221.08340	1.3
221.11891	1.2
223.09865	1.1
223.13370	0.9
223.30833	0.8
225.11279	36.8
226.11639	2.9
227.12856	11.4
230.09442	1.1
231.10304	1.5
235.08156	4.8
235.13402	1.3
243.12524	1.3
245.11920	1.4
249.11423	2.2
251.05579	1.1
253.09143	1.5
263.07416	1.0
263.12955	1.3
265.14215	0.9
281.13974	1.1
287.07718	1.3
299.14444	1.4
326.15210	0.8
373.23911	1.2
379.12555	2.5
397.13464	27.6
398.13815	2.7
399.21823	2.6
415.14609	9.1
416.15140	1.0
417.22647	4.3
435.23904	1.9
462.99826	0.9
487.14725	5.8
488.15277	1.1
605.24603	4.0
606.25018	0.9
623.25928	7.3
624.25854	1.1
664.23987	1.7
671.29218	2.5
692.23492	1.0
718.24725	1.1
771.35101	1.0
789.31830	1.1
797.35956	11.3
797.49677	1.0
798.36652	3.1
815.37122	22.0
816.37579	4.6
833.38312	37.8
834.38269	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	831.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
63.66853	0.6
63.96096	1.9
64.15946	0.6
69.97504	2.9
71.01257	8.6
73.02784	1.0
78.98460	7.8
79.95123	1.3
79.95607	33.3
80.96391	79.1
81.03322	0.9
82.89973	0.6
85.02830	2.8
87.00745	3.3
94.97961	18.6
96.95895	0.8
97.02832	1.7
98.20538	0.9
101.02333	1.7
106.97968	3.9
122.97484	3.8
125.02333	2.9
127.03902	0.9
134.97470	6.5
135.63843	0.6
136.99046	1.8
148.99062	7.3
152.98550	6.5
163.28758	0.6
164.97292	1.1
164.98558	13.4
206.99600	2.7
221.40401	0.7
225.00713	22.7
241.00229	0.7
251.30011	0.7
255.23331	1.4
283.04877	2.6
341.05460	2.5
355.07056	1.1
537.27399	2.9
575.25287	1.5
733.41974	1.1
831.49353	100.0
832.49683	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	831.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
70.48399	1.9
71.01248	1.8
78.95774	91.8
79.85954	0.6
79.95603	2.5
80.96387	11.8
81.73978	0.6
85.02814	0.8
85.53630	0.7
94.97974	1.9
96.96840	21.1
98.19847	0.7
109.78844	0.5
134.97487	1.1
134.98454	2.1
152.99498	30.0
164.98550	1.8
223.00087	12.0
225.00726	3.1
241.01144	46.8
242.01534	1.7
255.23265	93.0
256.23639	8.1
259.02194	3.2
277.21716	58.7
278.22003	6.1
297.03842	2.6
315.04932	1.7
391.22556	9.1
413.20822	0.8
553.27832	7.8
554.28162	1.2
571.28864	1.6
575.26245	1.4
578.84583	0.7
776.20245	0.6
831.50201	100.0
832.50433	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	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.3
60.93063	0.6
61.98682	1.8
63.96109	1.6
69.90346	2.5
69.90749	1.1
71.01256	7.9
73.02803	1.3
78.98462	8.0
79.95603	33.5
80.55374	0.7
80.96388	80.7
81.75719	0.6
85.02821	3.4
87.00755	2.9
91.49838	0.7
93.76613	0.6
94.97956	16.8
96.95901	1.8
97.02834	1.6
99.04382	0.7
101.02319	2.2
106.97961	3.1
122.97475	4.9
125.02326	4.0
127.03889	1.0
134.97487	7.1
136.99020	2.0
148.99037	6.9
150.96988	0.8
152.98557	6.3
161.04471	1.5
164.98555	14.3
165.98723	0.7
206.99605	4.6
224.98424	1.2
225.00681	24.4
241.00237	0.7
247.43921	0.7
255.23264	1.9
264.77795	0.7
283.04919	2.7
330.83032	0.7
337.04272	0.8
341.05640	1.5
355.06952	1.7
408.16110	0.7
411.13333	0.8
452.38583	0.7
453.43661	0.6
537.27411	2.0
575.24945	2.4
609.29370	1.8
637.32019	1.1
651.34003	0.8
693.38464	1.3
733.42249	0.9
831.49310	100.0
832.49731	30.9
832.61646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96098	1.6
69.03317	1.1
71.01262	7.3
73.02819	1.9
78.98462	6.3
79.95608	30.3
80.96387	74.7
85.02806	3.0
87.00754	3.9
94.97960	16.2
96.95882	1.6
97.02794	1.4
98.20624	1.3
101.02303	2.7
106.97945	3.0
110.64573	0.8
122.97499	4.4
125.02342	3.2
127.03918	0.8
134.97473	5.2
136.99011	1.7
148.99062	6.6
152.98523	6.4
164.98555	11.1
206.99689	3.8
225.00694	22.0
226.01103	1.1
255.23320	1.4
283.04926	2.3
313.47073	0.8
326.72205	0.7
341.05551	1.6
355.07260	1.4
465.98822	0.8
537.27246	3.1
575.25055	1.9
581.79193	1.0
693.39093	1.0
831.49329	100.0
832.49695	25.0
852.09521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.4
59.01250	20.8
60.01558	0.6
61.98698	3.4
67.80647	0.3
68.99702	0.5
69.03313	3.5
69.31698	3.7
71.01252	20.8
71.04888	0.7
72.99186	2.0
73.02812	3.4
75.00732	0.7
78.95778	6.0
80.02547	1.0
80.96409	0.6
81.03343	2.3
83.01272	2.5
83.04896	6.2
84.02042	1.1
85.02823	5.4
85.06456	0.4
87.00754	4.7
89.02319	16.7
93.03326	1.7
95.01253	1.7
95.04897	1.1
96.96839	1.4
97.02834	3.4
97.06447	0.7
99.00761	1.0
101.02324	13.3
102.02677	0.4
104.41925	0.3
105.03326	0.3
107.04939	0.4
109.02840	0.8
109.06441	1.2
111.00774	1.2
111.04395	1.1
113.02335	10.0
114.68328	0.4
117.03329	0.9
119.03377	3.5
119.04872	2.0
121.02850	1.0
123.04408	1.5
123.08037	0.5
125.02341	5.8
125.05956	0.6
125.09608	0.7
131.03426	0.9
132.02052	0.7
133.02855	6.3
134.03639	2.1
135.04416	8.4
135.08072	1.1
137.02315	1.1
139.03862	0.6
141.01855	0.5
143.03430	3.4
145.02809	1.3
147.04443	0.5
149.02332	0.7
149.04361	0.8
149.09615	0.8
151.03966	0.6
152.99498	1.7
155.03357	0.4
157.75519	0.4
160.01607	0.5
161.02364	14.0
161.04390	3.7
161.05765	0.7
162.02728	0.6
163.03935	3.8
163.11217	4.7
164.11497	0.5
165.12770	2.2
167.10719	2.4
171.10258	1.8
173.04591	0.9
173.05984	0.6
174.39853	0.4
175.03964	0.8
177.01895	3.5
177.05521	0.4
177.12816	0.8
178.02649	0.5
179.03410	10.5
179.05508	4.5
179.10674	1.4
179.14316	2.5
180.03783	0.9
181.04979	0.4
181.12279	1.1
187.04042	0.7
187.07545	0.6
191.05563	4.4
191.10664	1.2
193.05022	0.5
195.02957	0.4
195.12091	0.5
195.13840	7.4
197.11765	0.4
201.05516	1.4
201.09192	0.7
201.11110	0.4
202.06258	1.0
203.03441	1.6
205.12291	7.8
206.12656	0.6
207.10220	1.0
209.11777	100.0
210.12111	5.7
211.13371	3.2
217.06992	0.7
221.04517	0.4
221.06592	1.6
223.00130	0.7
223.13350	79.3
224.13713	4.6
225.11258	1.4
227.12833	17.1
228.13184	0.8
230.09398	1.3
231.10202	0.6
235.08162	4.6
241.01071	2.9
247.09706	0.4
253.09261	1.3
255.23291	5.0
261.15021	1.2
265.14368	0.5
277.21689	2.7
283.13324	0.5
287.07828	1.3
289.17853	0.4
299.02066	0.4
305.08740	1.9
323.09848	1.3
325.20081	0.6
341.08871	1.3
341.23581	0.6
379.07983	0.7
379.12415	5.2
391.22693	0.6
397.13492	39.6
398.13815	2.4
411.17197	0.4
415.14529	9.9
415.24048	0.4
416.15100	0.9
503.14120	1.3
553.27704	0.5
572.19061	1.1
589.25116	0.9
603.26508	2.7
607.25970	1.5
621.18878	0.4
621.27710	7.2
622.28009	0.6
631.27319	0.6
669.26025	0.6
734.24139	1.5
735.25665	0.5
795.38153	1.2
813.37573	1.6
831.36688	0.9
831.50342	11.5
832.50641	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	831.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
69.03333	2.7
71.01259	49.5
72.99192	3.6
73.02822	63.8
74.03194	2.0
75.00726	2.1
83.01268	22.2
85.02811	8.2
89.02331	10.4
93.03344	7.9
95.01259	2.6
101.02332	67.5
106.58636	1.7
111.52364	1.8
113.02348	19.1
119.03393	7.2
119.04892	2.4
121.02863	6.1
122.03648	6.2
125.02347	4.9
131.03377	6.1
133.02864	7.3
135.04420	6.5
136.01561	3.7
137.02338	2.7
143.03436	6.1
149.02357	16.4
149.04428	11.8
149.05991	1.5
150.03145	41.0
151.03679	2.9
155.03363	2.3
160.01617	2.3
161.02390	9.4
161.04449	13.4
163.03932	3.5
164.04736	3.3
165.01839	3.2
165.05481	39.0
166.02625	2.5
166.05833	2.5
177.05524	2.4
178.02798	1.8
179.03407	4.5
179.10828	2.1
180.04243	3.9
189.63049	1.6
191.05547	11.8
195.06599	31.3
195.89470	1.9
199.82512	1.7
202.06427	1.5
225.07640	2.3
293.90417	1.7
296.06995	2.2
299.40018	2.0
311.09174	3.0
323.09320	2.8
339.08707	15.6
354.11145	6.4
369.13477	33.5
370.13702	4.2
379.97028	1.9
387.14594	3.2
517.18890	11.5
517.25500	1.9
518.18799	2.9
535.19727	4.3
565.21179	1.9
583.21844	4.0
787.27887	2.9
788.29468	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	831.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.9
61.98698	0.5
69.58828	0.4
71.01254	5.5
71.50644	0.5
72.99188	0.5
73.02829	1.2
81.04474	0.3
83.01275	0.6
84.10390	0.3
85.02821	5.9
87.00762	0.5
89.02312	2.5
89.03821	0.3
93.03334	1.0
95.01276	1.8
96.95924	0.4
99.00700	0.4
101.02330	1.5
105.03357	1.3
106.04105	0.5
107.04902	0.6
109.02850	1.3
113.02331	9.0
115.00225	0.4
115.01774	0.5
117.03348	1.2
119.03361	0.4
121.02850	0.6
122.03606	0.5
123.04406	1.6
125.02271	0.5
132.02068	3.5
133.02846	43.0
134.03712	3.9
135.04413	27.9
136.04776	1.0
137.02318	1.2
139.03906	0.3
143.03374	0.5
149.02333	1.2
149.04489	2.0
149.05981	0.4
150.03128	1.4
151.03897	3.0
160.01628	0.5
161.02347	100.0
162.02716	3.9
163.03889	0.5
164.04689	1.0
165.05475	0.7
173.04478	0.9
173.05840	0.4
175.03883	0.9
176.04651	1.6
177.01888	0.6
177.05333	0.4
178.02647	1.0
179.03412	37.5
180.03816	1.4
187.03979	0.5
187.07570	0.8
191.05560	3.3
191.07030	0.5
192.74858	0.4
194.05780	2.6
195.06538	0.8
201.05286	0.4
203.03436	1.0
209.08141	2.2
229.08684	0.4
233.04625	0.6
251.05518	0.7
325.09195	0.6
328.68701	0.4
369.13373	0.4
459.15155	3.1
461.16556	0.7
474.29446	0.4
487.14526	5.0
488.14764	0.7
568.38269	0.4
621.18176	11.1
622.18823	4.2
623.19763	0.4
637.21295	0.8
651.22290	0.8
669.23920	2.6
801.25897	1.4
802.25067	0.6
813.26520	2.2
831.27075	18.2
831.48401	0.8
832.27606	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	831.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.9
61.98698	0.5
69.58828	0.4
71.01254	5.5
71.50644	0.5
72.99188	0.5
73.02829	1.2
81.04474	0.3
83.01275	0.6
84.10390	0.3
85.02821	5.9
87.00762	0.5
89.02312	2.5
89.03821	0.3
93.03334	1.0
95.01276	1.8
96.95924	0.4
99.00700	0.4
101.02330	1.5
105.03357	1.3
106.04105	0.5
107.04902	0.6
109.02850	1.3
113.02331	9.0
115.00225	0.4
115.01774	0.5
117.03348	1.2
119.03361	0.4
121.02850	0.6
122.03606	0.5
123.04406	1.6
125.02271	0.5
132.02068	3.5
133.02846	43.0
134.03712	3.9
135.04413	27.9
136.04776	1.0
137.02318	1.2
139.03906	0.3
143.03374	0.5
149.02333	1.2
149.04489	2.0
149.05981	0.4
150.03128	1.4
151.03897	3.0
160.01628	0.5
161.02347	100.0
162.02716	3.9
163.03889	0.5
164.04689	1.0
165.05475	0.7
173.04478	0.9
173.05840	0.4
175.03883	0.9
176.04651	1.6
177.01888	0.6
177.05333	0.4
178.02647	1.0
179.03412	37.5
180.03816	1.4
187.03979	0.5
187.07570	0.8
191.05560	3.3
191.07030	0.5
192.74858	0.4
194.05780	2.6
195.06538	0.8
201.05286	0.4
203.03436	1.0
209.08141	2.2
229.08684	0.4
233.04625	0.6
251.05518	0.7
325.09195	0.6
328.68701	0.4
369.13373	0.4
459.15155	3.1
461.16556	0.7
474.29446	0.4
487.14526	5.0
488.14764	0.7
568.38269	0.4
621.18176	11.1
622.18823	4.2
623.19763	0.4
637.21295	0.8
651.22290	0.8
669.23920	2.6
801.25897	1.4
802.25067	0.6
813.26520	2.2
831.27075	18.2
831.48401	0.8
832.27606	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	829.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.8
59.01252	17.1
60.99177	0.6
61.98699	9.2
68.99689	0.4
69.03322	0.9
71.01252	17.3
71.49633	0.5
72.99178	1.6
73.02808	3.1
75.00760	0.5
75.72573	0.4
78.95776	0.5
81.03323	0.9
83.01248	2.1
85.02815	4.5
87.00742	5.0
88.83766	0.3
88.98689	2.5
89.02316	14.2
91.03864	0.3
95.01266	1.4
97.02824	3.3
99.00771	1.0
101.02318	11.0
102.92647	0.4
105.01823	0.4
111.04436	0.4
113.02331	8.5
119.03383	3.8
125.02339	6.6
125.09599	1.1
127.11189	2.6
129.01823	0.4
131.03395	0.5
133.47034	0.3
136.35023	0.3
139.03915	0.5
143.03418	2.3
149.04463	0.5
153.09099	0.9
161.04453	3.9
167.03430	0.4
171.10179	100.0
172.10524	5.4
179.05559	3.5
199.05966	0.6
209.11832	0.8
217.07092	0.7
221.06598	1.1
235.08186	5.8
245.06529	0.4
253.09300	1.2
259.08386	0.5
259.64484	0.4
263.07819	0.4
268.25919	0.3
275.19855	0.4
277.21719	65.9
278.22073	6.7
287.07669	2.4
291.23233	0.4
301.09296	0.5
305.08722	2.6
323.09753	1.0
361.11441	0.6
379.12445	10.3
380.12799	0.7
397.13495	39.0
398.13791	3.0
415.14569	7.8
415.19907	0.6
416.14746	0.7
551.23560	0.8
569.24506	0.6
591.19177	0.4
594.55835	0.4
635.25385	0.5
675.36090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.8
60.92122	3.8
61.98700	100.0
63.99137	8.5
71.01259	17.2
72.91386	4.1
78.95785	16.3
79.95618	9.9
80.96385	50.0
82.95921	4.4
83.04906	4.1
85.02824	6.6
87.00748	6.0
89.02281	5.9
94.97940	9.1
96.95853	6.9
98.20571	11.5
100.76499	4.4
101.02340	10.0
109.06424	5.2
116.92760	5.5
122.97436	6.2
125.02382	4.8
125.09603	6.0
152.99541	4.7
161.02310	5.5
164.98549	7.0
171.10262	10.4
197.11784	8.1
201.11166	4.8
206.99628	5.0
207.10237	5.8
209.11783	42.4
211.13309	6.5
225.00700	14.1
227.12946	8.2
229.52863	4.9
253.09283	10.1
291.19568	8.0
309.20657	23.9
313.29495	4.8
397.13785	4.8
410.11539	4.4
414.78201	4.6
542.78699	4.8
823.41583	65.9
824.41986	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	823.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.3
59.01249	20.5
61.98707	3.1
62.99512	0.7
69.03327	3.7
71.01251	19.9
71.05041	1.6
72.99169	1.9
73.02808	3.8
74.51385	0.6
78.95784	1.1
80.35240	0.6
80.96387	3.5
81.03326	1.2
81.87660	0.7
83.01244	3.6
83.04910	1.3
85.02831	12.5
87.00734	3.7
89.02319	12.7
91.03898	0.7
95.01293	1.3
95.04890	0.9
97.02274	0.8
97.02814	3.4
97.06463	13.9
98.09110	0.8
98.13215	0.7
99.00764	1.2
101.02315	14.9
113.02344	7.1
119.03424	3.3
123.08031	5.8
125.02344	3.8
125.06010	0.8
125.09612	60.0
126.09985	1.7
127.11198	2.4
131.03394	1.4
133.05006	1.1
137.09602	3.5
143.03377	2.1
146.99191	0.7
155.10690	1.7
161.02368	0.8
161.04440	4.5
163.11191	0.8
165.12726	1.4
167.14365	1.3
169.08617	1.6
171.10176	32.4
172.10458	1.2
179.05553	2.0
181.12447	0.7
183.13817	2.4
185.11739	1.2
187.09683	28.0
188.10001	1.0
195.13847	1.6
197.11777	2.1
201.11299	2.1
209.11783	1.6
211.13356	16.9
212.13609	1.4
221.06728	1.1
221.11780	2.7
221.19603	0.9
223.13332	0.8
225.00691	0.9
227.12849	0.9
229.14388	11.3
235.08223	7.7
239.12849	1.5
253.09253	33.2
254.09555	1.2
255.23256	33.2
255.25935	1.8
256.23593	2.8
275.20193	1.1
277.21716	78.0
278.22055	4.7
291.19717	10.5
293.21246	11.8
295.22839	6.0
309.20688	29.7
310.20935	1.2
311.22269	9.8
312.22824	0.9
327.21753	100.0
328.22110	7.0
351.21750	0.8
397.13425	4.1
481.77322	0.8
509.83841	0.8
533.37555	0.7
545.29962	3.6
547.30640	0.9
563.30811	6.0
567.23761	1.0
585.24103	1.3
587.42902	2.2
733.38385	1.4
777.79089	0.9
823.46936	92.3
824.47162	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	823.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.7
61.98708	4.0
67.01784	1.1
71.01258	2.8
71.50678	0.5
71.51115	0.8
73.02839	1.0
73.68219	0.5
75.00757	0.7
85.02833	2.1
89.02324	2.2
93.03333	5.8
95.01278	0.9
95.04902	0.9
96.95909	1.8
98.95480	0.6
99.92498	0.7
101.02331	1.3
106.60123	0.5
107.04908	1.0
107.97000	0.6
108.02083	1.3
109.02859	4.1
113.02357	1.4
116.92739	7.4
119.03452	0.6
121.02848	7.3
122.03627	15.6
123.00792	1.2
123.04400	1.7
124.01590	1.3
125.02390	1.2
132.02048	1.0
133.02826	3.8
134.03638	1.3
135.04459	3.9
136.01555	4.9
137.02345	14.2
138.03052	0.7
139.03943	0.6
146.03633	1.2
147.04475	1.4
148.01717	0.6
149.02353	28.1
149.04436	2.6
149.05995	2.1
150.03131	100.0
151.00282	8.6
151.03888	7.9
152.01088	1.3
152.04701	3.6
153.01865	0.9
153.05460	1.0
154.02721	0.7
159.04446	1.0
161.02353	4.4
161.05994	1.3
162.03143	1.9
163.03912	1.4
164.04710	6.4
165.01860	10.1
165.05484	85.7
166.02628	26.6
166.05710	3.0
167.03360	3.6
171.10310	0.7
172.04997	0.6
173.04466	1.1
175.03951	2.3
175.09036	0.7
176.04669	1.1
177.01845	1.8
177.05498	1.7
178.02686	1.1
179.03433	6.2
179.07047	4.9
180.04202	11.0
181.04976	32.1
182.05331	0.9
184.03719	2.0
187.03958	2.6
188.04721	0.9
190.02644	1.0
190.06258	1.5
191.03625	1.1
191.05548	5.8
192.04236	0.9
193.05008	3.1
193.06586	0.6
194.05823	1.0
195.06561	53.8
196.06909	2.5
201.05397	0.7
202.06274	0.8
205.04964	6.1
206.05653	1.3
207.06538	1.6
209.08170	1.2
209.11755	1.4
219.06561	1.3
220.07416	3.2
221.08162	1.7
225.07648	3.8
265.05136	0.7
288.20978	0.7
315.08743	2.0
329.10300	2.1
355.11801	0.9
357.09836	1.2
357.13541	1.9
359.10901	0.7
371.11218	1.0
372.12128	2.4
373.12930	0.9
387.10602	2.9
387.14816	12.1
388.15088	1.1
399.14600	1.1
402.13248	3.8
403.14023	3.2
416.14783	1.7
417.15521	32.8
418.15820	4.1
420.94894	0.7
471.16690	1.4
535.15497	2.9
536.15942	0.7
550.18384	1.8
551.18860	1.0
565.20782	46.1
566.21173	7.4
577.21265	1.3
595.21698	5.8
596.21893	1.0
597.23822	3.7
613.22980	4.6
626.23566	2.0
627.24469	12.2
628.24640	2.2
745.28125	0.8
775.29694	9.0
776.30005	2.3
805.30054	1.1
823.31219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.7
61.98700	3.4
67.77191	0.5
71.01256	2.1
72.99207	0.5
73.02850	0.9
85.02847	1.0
87.00758	0.5
89.02332	1.0
93.03333	4.7
93.65294	0.5
95.01290	0.6
96.95903	0.7
98.19790	1.1
99.92471	0.5
101.02338	0.6
105.01794	0.5
109.02830	1.1
113.02301	0.6
116.92755	4.1
119.92703	0.5
121.02850	4.4
122.03637	14.9
123.00731	0.9
123.04453	0.5
124.01597	0.9
125.02367	0.6
133.02856	3.0
134.03635	0.6
135.04442	1.8
136.01549	1.4
137.02330	3.5
139.03871	0.9
146.03651	1.1
149.02353	21.6
149.04341	0.9
150.03131	99.5
151.00269	5.2
151.03474	4.6
152.01074	0.5
152.04666	0.7
159.04399	0.6
161.02341	2.1
162.03114	0.5
164.04703	4.6
165.05481	100.0
166.02632	15.3
166.05782	3.8
167.03383	1.4
171.10252	0.5
173.04558	0.6
175.04051	0.6
176.00902	0.6
177.01877	0.8
177.05554	0.8
179.03412	2.1
179.05658	0.6
179.07059	4.0
180.04204	6.6
181.04980	19.6
182.05370	1.0
187.03992	0.8
191.03593	1.0
191.05515	3.4
193.04987	0.5
195.06557	75.5
196.06909	4.1
203.35921	0.5
205.05046	2.4
207.06532	0.6
209.08052	0.5
209.11777	1.4
211.13368	1.0
219.06500	0.7
220.07373	1.3
221.08105	0.8
225.07597	0.5
235.09811	0.7
372.12088	0.8
387.09888	2.5
387.14868	6.1
399.14127	0.6
402.13071	2.9
403.13797	0.9
417.15527	24.4
418.16263	2.4
431.17151	0.5
458.61807	0.5
565.20801	5.3
566.20972	1.2
595.22058	0.9
597.23260	1.7
613.22760	3.4
627.24463	7.8
628.24750	0.8
775.29480	1.4
823.32019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.9
58.00453	0.3
58.23281	0.3
59.01251	5.8
61.98703	5.5
69.03319	0.6
71.00916	0.3
71.01255	4.9
71.07150	0.6
72.99162	0.3
73.02812	1.0
77.45248	0.3
80.96378	0.6
83.01243	0.6
83.04871	0.8
85.02818	1.4
87.00737	1.2
89.02319	3.8
95.01246	0.4
95.04881	0.4
97.06450	0.5
100.47549	0.3
101.02317	4.4
107.85526	0.3
109.06487	0.6
111.08036	7.7
113.02332	2.8
119.03380	0.8
126.24657	0.3
127.07520	1.0
138.51620	0.3
141.09033	0.5
143.03401	0.6
151.11211	0.6
153.12775	0.8
161.04474	2.6
167.10728	0.6
168.65242	0.3
169.12239	3.6
171.10188	0.9
177.12723	0.7
179.05461	1.1
179.10667	0.6
179.14314	0.9
181.12241	1.0
182.06343	0.3
183.13846	0.7
189.23364	0.3
195.13849	8.1
196.14314	1.0
197.11763	36.9
198.12115	1.9
199.13316	2.1
205.12294	0.7
205.15948	0.3
208.78978	0.3
209.11668	0.3
211.11479	0.6
211.13330	6.2
221.11887	0.3
223.13348	5.6
224.13924	0.5
227.12883	0.8
228.13565	0.5
231.21011	0.5
235.08287	2.4
247.20549	0.4
253.09268	32.4
254.09444	1.3
256.13156	1.0
262.90454	0.3
263.20120	2.8
264.20642	0.3
265.18112	1.1
273.18707	0.8
275.20178	5.5
276.20477	0.4
291.19653	13.2
292.19992	1.9
293.21222	100.0
294.18262	0.6
294.21570	9.7
309.20709	57.6
310.21072	5.8
365.47922	0.4
387.83746	0.3
421.69562	0.3
457.45844	0.3
459.17548	0.3
462.40182	0.3
466.87137	0.4
492.21841	0.4
527.28510	0.6
529.30048	1.0
545.29730	1.1
585.41431	2.5
821.42084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.6
59.01246	5.6
61.98705	12.3
69.03328	1.0
70.24525	0.3
70.24863	1.0
71.01254	6.0
71.04885	0.4
72.99179	0.3
73.02813	1.1
74.04156	0.2
78.95786	0.4
80.96397	0.4
81.03304	0.2
83.01237	0.4
83.04926	0.4
85.02828	1.3
87.00761	0.6
89.02307	3.8
95.01248	0.4
97.02843	0.6
101.02320	5.0
109.06461	0.5
111.08038	7.9
112.08404	0.5
113.02351	2.1
119.03388	1.1
122.39806	0.3
122.67074	0.3
125.02350	0.3
125.09579	0.4
127.07526	0.7
141.09077	0.3
143.03375	0.8
151.11209	0.5
153.09087	0.3
153.12732	0.9
161.04463	2.0
163.11163	0.2
165.12802	0.5
167.10658	0.7
169.12253	3.6
171.10220	0.6
177.12759	0.3
179.05519	0.7
179.10594	0.6
179.14415	0.7
181.12325	1.2
183.13829	0.8
193.12355	0.4
195.13818	7.7
196.14398	0.8
197.11761	41.9
198.12106	2.3
199.13344	2.5
205.12315	0.7
205.15860	0.3
209.11775	0.6
209.15295	0.3
211.13329	6.5
212.13654	0.5
223.13342	6.6
227.12828	1.2
228.13596	0.8
235.08173	2.2
236.08543	0.3
247.20682	0.6
249.14865	0.5
251.16570	0.3
253.09262	28.3
254.09590	1.4
256.13055	1.1
263.20102	2.4
265.18051	0.8
273.18585	0.8
275.20172	6.1
276.20621	0.5
291.19678	16.9
292.19974	2.2
293.21219	100.0
294.21552	9.6
309.20706	57.2
310.21039	6.3
433.20688	0.6
492.22321	0.5
518.04987	0.3
527.28601	0.9
529.30145	0.9
545.29755	1.4
546.29736	0.4
585.41504	2.4
586.41577	0.4
761.44818	0.3
822.88971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98701	100.0
63.99142	0.3
69.45995	1.7
71.01268	0.3
73.02924	0.2
78.95801	0.8
79.95635	0.3
80.96392	1.3
85.02846	0.3
89.02313	0.2
94.97961	0.5
98.19801	0.3
106.19150	0.2
114.14325	0.2
133.02841	0.2
135.04401	0.4
161.02336	0.4
164.98528	0.4
171.10263	0.4
173.05899	0.2
179.03349	0.3
187.55162	0.2
191.05525	0.5
207.10124	0.2
209.11827	0.7
211.13358	0.4
211.26549	0.2
220.93343	0.2
225.00674	0.3
293.21390	0.3
329.23325	0.3
426.28079	0.2
498.20737	0.2
508.70859	0.2
717.16077	0.3
820.38098	0.5
820.51294	0.7
821.40057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.98703	100.0
71.01255	0.9
71.48763	0.2
71.49130	0.2
78.95792	0.3
79.95619	0.4
80.96417	0.5
85.02849	0.4
89.02335	0.2
94.97955	0.3
96.95908	0.2
101.02328	0.3
113.02378	0.2
158.81065	0.2
162.44936	0.2
178.99852	0.2
184.94310	0.2
188.44464	0.2
211.13347	0.5
250.62093	0.2
253.09317	0.3
259.75562	0.2
275.20251	0.2
291.19702	0.3
293.21356	0.8
419.23285	0.2
457.95554	0.2
481.15512	0.7
489.46970	0.2
497.18451	0.3
514.15540	0.3
555.18738	0.9
572.15833	0.4
659.23767	0.5
701.24634	0.5
713.25287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01247	9.2
61.98701	2.2
69.03324	0.6
71.01253	8.7
73.02817	1.3
78.95792	0.8
78.98516	0.5
80.96384	3.9
83.01218	0.8
83.04899	1.0
85.02822	2.3
87.00722	1.3
89.02325	4.7
94.97944	1.3
95.01253	0.6
95.04895	1.3
96.95900	1.2
97.06445	0.6
101.02325	7.5
109.06493	0.6
111.08041	10.1
113.02341	3.2
115.91975	0.9
116.92764	0.6
119.03394	1.2
135.11732	0.7
139.11212	0.5
143.03387	0.8
145.04997	0.6
152.99519	0.6
161.04489	2.5
167.10696	1.8
171.10138	1.9
177.12732	2.1
179.05502	1.2
179.10660	2.2
179.14227	0.8
185.11739	3.1
195.13853	16.5
196.14259	1.7
197.11751	1.3
209.11794	1.8
211.45146	0.7
223.13353	7.8
224.13812	0.9
225.00653	1.0
228.13678	1.2
231.21187	0.7
235.08186	2.6
247.20671	2.1
253.09276	19.0
254.09663	0.6
255.23184	3.1
256.13110	1.9
273.18692	0.8
275.20132	9.3
276.20572	0.7
277.21735	6.3
278.22095	1.4
289.18066	1.2
291.19659	100.0
292.20016	8.8
293.21219	100.0
294.21536	6.6
295.22858	1.2
305.61145	0.6
307.19095	1.0
309.20676	2.1
325.20206	3.7
397.13516	1.5
527.28625	1.1
821.43433	4.3
822.44318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.9
61.98699	11.1
66.07066	0.6
71.01245	4.5
71.49966	1.2
73.02818	0.7
78.05798	0.6
78.95776	2.2
79.95618	0.8
80.96385	2.6
83.01272	1.2
85.02827	1.8
87.00737	1.3
89.02305	3.7
94.97947	0.9
95.04883	0.8
96.95905	0.7
97.02812	1.9
101.02312	4.2
111.08030	5.4
113.02348	2.3
119.03408	1.0
137.09682	0.9
143.24651	0.7
161.04475	2.5
165.12833	0.8
169.12265	1.2
171.10117	2.2
179.10785	0.9
181.12361	1.4
183.13876	0.9
195.13829	8.9
197.11761	22.7
197.61562	0.7
198.12178	1.4
199.13269	1.2
211.13330	5.3
223.13304	5.5
235.08224	2.0
253.09254	29.1
254.09579	1.6
256.13068	1.0
263.20108	1.0
273.18533	1.2
275.20087	5.2
291.19687	16.9
292.20013	2.1
293.21225	100.0
294.21564	9.9
309.20709	56.4
310.21112	5.4
413.90338	0.7
529.30237	1.1
545.29633	1.6
585.41473	3.2
821.40460	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	820.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.5
58.00455	1.5
59.01254	36.7
61.98692	2.6
65.76340	0.6
69.03336	1.2
71.01258	25.1
71.50861	0.9
72.99170	1.5
73.02821	14.4
75.00756	0.6
83.01283	3.8
83.04866	0.7
85.02823	6.5
87.00748	4.1
89.02322	11.5
93.03338	0.6
95.01257	0.9
96.95895	3.4
97.02826	0.9
99.00774	1.7
101.02322	12.1
113.02332	9.0
116.92786	0.7
117.40855	0.6
119.03402	3.0
125.02354	1.8
125.09579	0.8
126.05666	0.6
128.65498	0.5
131.03391	1.6
133.02843	0.9
134.03677	1.4
135.04439	2.7
143.03349	0.6
143.10667	1.2
149.04492	3.3
158.92632	0.6
161.02330	1.9
161.04440	1.1
165.12744	0.5
167.14336	18.2
168.14708	1.0
168.83945	0.5
174.03175	0.7
179.03392	1.4
180.24498	0.6
191.05598	4.3
201.09216	0.7
207.10170	0.7
209.11725	1.5
210.14990	1.8
211.13371	17.0
211.87239	0.6
215.69318	0.6
229.08641	1.4
229.14420	17.6
230.09343	0.8
230.14714	0.7
254.17647	4.1
272.18686	16.8
273.19116	1.3
277.41696	0.6
281.21173	6.3
299.22372	1.1
308.22626	0.8
315.10904	2.8
325.20255	2.6
409.02734	0.6
411.17181	0.6
416.22861	7.0
422.29410	0.9
434.23953	14.5
435.24399	1.6
476.25229	3.9
507.21786	0.7
530.29700	1.0
584.34412	3.1
602.35559	4.6
626.35608	0.9
644.36548	100.0
645.36877	16.0
734.39581	1.1
776.40717	25.9
777.40845	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	820.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
58.00474	1.1
59.01253	43.2
60.01582	0.8
61.98710	6.7
69.03332	1.0
71.01259	23.2
71.04891	1.7
71.30803	1.6
72.99162	1.2
73.02824	11.1
76.39524	0.7
83.01258	3.6
83.04893	0.7
85.02828	7.4
87.00766	2.3
89.02328	9.1
93.03342	1.6
95.01244	1.7
96.95885	4.6
97.02800	0.8
97.06470	1.9
99.00763	1.4
99.08007	0.9
101.02329	13.1
110.09235	0.7
113.02345	8.8
114.02753	0.7
114.09133	1.0
115.07592	0.9
116.92686	0.9
119.03398	2.8
125.02351	1.7
135.04381	3.2
149.04449	5.1
156.10217	3.2
158.11815	4.6
161.02379	2.6
161.04472	1.9
165.12822	3.4
167.14339	6.5
174.11302	6.9
179.03436	2.5
183.13849	1.1
187.07687	0.8
191.05518	4.1
201.09181	0.9
209.11765	6.0
210.12209	1.4
211.13382	6.1
227.12843	7.5
229.08595	1.3
229.14497	5.4
230.09328	0.8
237.18506	1.2
237.22362	1.0
239.16559	2.5
241.18123	0.9
254.17694	0.7
259.39377	0.7
265.18066	2.3
272.18771	1.6
281.17926	1.4
281.21268	3.9
299.01917	1.0
308.22183	1.5
313.76529	0.7
315.10864	2.8
324.21811	2.6
336.17041	0.7
530.29456	2.6
584.34766	1.3
585.34259	0.8
602.35791	4.2
626.35449	1.0
644.36530	100.0
645.36932	17.3
734.40222	0.9
776.40729	24.2
777.41406	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	819.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	1.1
57.62241	1.0
59.01245	3.1
61.98708	7.6
62.60032	1.0
63.96103	1.4
69.03314	1.6
71.01249	11.0
71.48812	1.5
73.02824	1.7
78.95773	15.4
78.98463	7.9
79.95603	16.5
79.96040	1.3
80.96391	97.9
81.03328	1.5
81.95187	1.6
82.95977	10.4
82.96810	2.1
84.56065	1.0
85.02828	4.7
87.00745	4.1
94.97962	23.4
96.95885	1.4
96.96881	1.8
96.97513	2.6
97.02837	2.8
99.00749	1.1
99.92516	1.1
101.02334	4.5
104.47187	0.9
106.97981	4.4
122.97473	7.0
125.02323	3.2
134.97513	6.1
136.97043	1.2
136.99057	1.8
141.01665	1.2
148.99052	7.9
152.98451	7.4
152.99664	5.7
156.72134	1.3
163.45145	1.1
164.98564	15.7
171.10194	1.3
191.05498	1.3
206.99637	2.6
211.13405	1.2
212.75569	1.1
225.00694	20.9
226.00986	1.3
227.00464	1.3
241.01152	2.3
255.23280	5.4
277.21710	1.6
279.23395	1.6
281.24811	1.9
293.21173	1.5
328.88419	1.0
329.23535	1.2
333.19592	1.1
343.24878	2.1
537.27203	2.2
563.28766	2.4
703.45337	1.1
747.35358	1.1
755.79773	1.2
801.37897	1.4
819.52728	100.0
820.39240	0.8
820.53186	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	820.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
59.01252	33.1
61.98694	2.8
62.73655	0.5
69.03318	1.0
71.01257	20.0
71.50768	0.8
72.99179	1.6
73.02825	10.0
75.00717	0.8
81.88995	0.6
83.01263	3.4
83.04906	1.1
85.02821	6.9
85.06455	0.6
87.00742	3.3
89.02318	9.0
91.06295	0.5
95.01259	1.9
95.04895	0.6
96.95890	4.2
97.02768	0.7
97.06472	1.2
99.00761	1.2
101.02330	13.6
108.40939	0.6
109.02805	0.6
111.04417	0.8
113.02336	6.3
113.05962	0.6
114.09108	0.7
115.07526	0.8
116.92753	0.9
119.03415	2.7
122.95034	0.5
125.02318	1.9
131.03404	1.0
133.02837	1.3
134.03632	0.7
135.04427	3.9
137.02319	0.6
143.03325	0.8
149.04453	4.8
155.03427	0.5
156.10188	1.2
158.11743	3.0
159.04396	0.7
161.02365	1.9
161.04474	1.6
163.11096	0.8
165.12717	2.8
167.14330	9.0
173.04446	1.3
174.11293	1.0
179.03378	1.6
179.05630	0.6
186.95944	0.5
191.05547	5.4
192.05811	0.5
197.11702	1.0
199.96475	0.5
201.05650	0.6
207.10251	0.7
209.11784	6.5
211.13347	7.6
225.11292	1.0
227.12889	6.2
228.07745	0.6
229.08658	1.6
229.14407	9.7
230.09396	0.8
230.14671	1.0
239.16519	1.2
240.04324	0.8
241.05037	0.6
254.17610	1.2
272.18680	6.8
281.17630	2.4
281.21225	5.1
282.21555	0.8
285.08145	0.6
300.10178	0.6
315.10962	3.3
320.17407	0.7
324.21771	1.9
325.20303	1.9
397.13626	0.8
409.15210	0.7
416.22946	2.4
422.28842	0.7
434.23822	6.5
435.24152	0.7
457.37839	0.6
469.91183	0.5
476.24969	1.8
504.28027	0.9
566.33569	0.8
584.34497	1.9
602.35706	3.3
644.36517	100.0
645.36829	17.7
682.42023	0.7
734.39606	1.8
776.40771	26.0
777.41357	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	819.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
58.00467	0.3
59.01247	4.7
61.98703	86.2
69.03342	0.6
71.01257	4.2
71.04887	1.6
73.02828	1.2
80.02537	0.5
80.96413	0.8
81.03345	0.9
83.01263	0.4
83.04879	0.8
85.02837	0.9
87.00751	1.0
89.02316	2.9
95.01279	0.6
95.04919	1.1
97.02817	0.3
98.03608	0.6
101.02326	4.0
106.04124	0.5
109.06477	7.9
111.04395	2.1
111.08041	1.1
113.02319	1.9
119.03407	1.0
121.10150	0.3
123.08066	1.4
127.07552	1.3
135.08011	0.5
137.05969	0.4
137.09630	0.8
141.09097	0.4
143.10661	0.9
145.04997	0.3
145.06480	1.3
149.09627	1.2
151.11159	0.5
159.08049	0.4
161.04471	1.9
163.11148	0.3
167.10675	1.5
171.10201	0.5
177.12775	0.7
179.05510	0.8
179.10767	0.6
179.14355	0.4
181.12282	0.5
191.14406	0.7
195.13832	8.3
196.14375	0.6
205.12259	0.9
205.15811	0.5
211.13383	0.6
215.14311	0.3
223.13362	5.3
224.13736	0.5
225.14922	0.7
228.03822	0.3
228.13667	0.6
229.44737	0.4
229.46777	0.3
231.21181	0.6
235.08168	3.0
235.13284	0.5
236.16411	0.3
245.19090	3.8
246.19637	0.3
253.09264	17.8
254.09676	0.9
256.13101	1.0
265.21814	0.4
271.16980	1.2
273.15021	0.4
275.20151	4.6
287.16489	1.3
289.18094	100.0
290.18433	7.7
291.19604	0.6
293.21222	80.8
293.57944	0.3
294.21558	7.4
307.19125	4.9
308.19437	0.6
309.20566	0.4
360.99646	0.3
365.02396	0.3
492.22202	0.6
525.27142	3.2
526.27368	0.5
529.29657	0.6
565.38989	0.5
818.15228	0.4
819.38019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.4
58.62326	0.5
59.01253	6.5
61.98705	81.9
62.98417	0.6
67.10625	0.6
71.01256	5.5
71.49827	0.7
73.02831	1.5
78.95781	1.0
80.02555	0.7
80.96410	1.2
81.03345	0.7
83.01235	1.0
83.04920	1.0
85.02843	1.9
87.00770	1.2
89.02337	3.6
95.01324	0.7
95.04925	1.0
97.02848	1.0
97.06480	2.3
99.00764	0.7
99.65607	0.6
101.02312	3.9
111.04427	0.6
111.07989	0.7
113.02348	2.5
119.03404	1.0
119.08556	0.7
123.04416	1.9
125.09647	2.7
130.72351	0.6
135.08020	0.8
137.09612	1.7
161.04533	1.5
163.11217	3.7
171.10191	0.8
173.09744	0.7
177.12747	0.6
179.05527	0.7
179.14395	0.9
181.12257	0.8
185.11775	4.9
191.14371	3.9
195.13832	9.1
205.12192	0.6
207.10208	1.5
209.11760	8.9
210.12140	0.7
211.13303	0.9
223.13329	6.8
225.00768	0.7
225.11346	1.5
228.13664	0.9
235.08237	1.6
237.11295	3.5
245.19078	6.8
253.09268	19.9
254.09589	1.1
256.13293	1.4
263.20157	1.7
271.17081	1.0
275.20157	6.0
276.20670	0.6
277.21704	1.1
289.18100	37.5
290.18488	4.0
291.19696	1.7
292.19901	0.8
293.21225	100.0
294.21506	8.6
305.00388	0.8
305.17679	0.7
307.19144	41.2
308.19498	3.1
445.20395	0.7
492.22052	0.8
525.26996	0.9
530.98016	0.7
531.90564	0.7
543.28131	1.0
761.51025	0.7
819.49518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.2
59.22377	0.1
61.98703	100.0
70.36602	0.3
71.01263	0.3
78.95772	0.5
79.95602	0.2
80.96397	0.7
89.02332	0.1
99.49863	0.1
116.92761	0.1
124.61219	0.1
135.04437	0.3
152.98466	0.1
161.02394	0.2
171.10193	0.2
179.03502	0.4
191.05658	0.1
197.11784	0.2
202.06360	0.1
207.10231	0.2
209.11876	0.4
211.13387	0.2
220.74850	0.1
221.34068	0.1
225.00804	0.2
264.52075	0.1
293.21301	0.2
327.21851	0.2
455.00769	0.1
460.25296	0.1
634.50507	0.1
818.35815	0.2
818.49402	0.4
819.39172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.4
61.98701	100.0
62.44579	0.1
62.98428	0.2
69.03337	0.2
71.01261	0.4
71.05273	0.1
71.05600	0.2
74.95731	0.1
78.95784	0.4
79.95621	0.3
80.96394	1.1
82.95975	0.3
85.00551	0.1
89.02329	0.1
94.97977	0.3
97.02782	0.1
101.02354	0.2
106.08761	0.1
125.02319	0.2
133.02884	0.2
134.97539	0.1
135.04424	0.2
138.33586	0.1
149.04506	0.1
161.02354	0.4
164.98492	0.3
171.10193	0.2
172.05209	0.1
172.90538	0.1
178.72757	0.1
179.03448	0.4
190.16309	0.1
191.05528	0.2
197.11804	0.4
209.11804	0.4
211.13431	0.3
225.00729	0.4
251.89635	0.1
255.26860	0.1
293.21170	0.2
309.20950	0.1
329.23218	0.1
523.84515	0.1
544.29913	0.1
818.49774	0.4
819.38690	0.5
819.52820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
61.98702	100.0
62.19003	0.1
62.98402	0.2
63.99124	0.2
68.77389	0.1
71.01252	0.2
71.49866	0.1
74.32975	0.1
75.03077	0.1
78.95786	0.2
79.95604	0.1
80.96406	0.4
85.02866	0.1
87.00801	0.1
89.02306	0.1
97.02898	0.1
133.02859	0.1
141.01605	0.2
152.39418	0.1
152.99551	0.1
163.11156	0.1
171.10231	0.2
191.05574	0.1
207.10083	0.1
209.11794	0.3
293.21323	0.1
294.21429	0.1
315.54944	0.1
355.75803	0.1
673.82855	0.1
818.37439	0.1
827.61426	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61597	0.1
59.01244	0.3
61.98700	100.0
62.98415	0.1
63.52946	0.1
68.83743	0.1
70.97581	0.2
71.01254	0.2
78.95795	0.2
78.98420	0.1
80.96383	0.5
86.80574	0.1
135.04420	0.1
171.10179	0.1
201.49916	0.1
209.11790	0.1
211.13380	0.1
277.21472	0.1
291.19623	0.2
293.21371	0.2
495.34445	0.1
522.55005	0.1
651.09564	0.1
819.38885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.2
61.98702	100.0
62.98409	0.2
70.78739	0.4
71.01269	0.2
73.02814	0.1
78.95787	0.3
79.95588	0.2
80.96401	0.8
85.02819	0.3
89.02335	0.2
94.97969	0.3
116.92757	0.5
133.02867	0.2
135.04422	0.4
143.09467	0.1
161.02365	0.5
179.03450	0.5
197.11894	0.2
207.10280	0.3
209.11783	0.4
211.13248	0.2
225.00859	0.2
291.19391	0.2
309.20459	0.3
816.49988	0.6
817.36786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.3
63.96102	2.2
69.03327	0.6
71.01250	11.3
71.25446	1.0
72.99203	0.6
73.02805	2.0
78.95773	0.6
78.98457	9.0
79.95124	0.7
79.95603	17.8
80.96387	100.0
81.03326	0.8
85.02822	3.5
87.00742	3.7
94.97957	20.6
96.95885	1.9
97.02824	1.6
99.00764	1.0
99.24323	0.5
101.02312	2.7
106.97949	4.3
113.02343	0.6
122.55673	0.5
122.97466	4.0
125.02332	3.4
127.03889	1.0
134.97485	6.9
136.99011	2.0
148.99033	7.4
152.98534	7.3
164.98550	14.1
167.00090	0.9
179.00179	0.5
206.99623	3.4
225.00705	18.6
226.00876	0.6
255.23277	2.4
277.21634	1.3
369.81335	0.5
372.80600	0.5
536.71368	0.6
537.27185	1.7
559.25427	1.5
815.49768	96.0
816.50073	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	816.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.8
61.98700	100.0
62.98397	0.1
70.06688	0.4
71.01263	0.3
80.96381	0.6
93.03362	0.1
94.97991	0.2
95.01273	0.3
97.02821	0.3
98.20457	0.1
101.02279	0.1
108.82520	0.1
111.00752	0.2
113.02325	0.1
117.77744	0.1
133.02856	0.1
139.00261	0.7
139.03871	0.2
141.01614	1.9
161.02380	0.3
171.10213	0.1
177.95053	0.1
179.03484	0.2
197.11823	0.1
208.88120	0.1
209.11839	0.2
225.00568	0.1
247.31038	0.1
255.36917	0.1
263.27911	0.1
265.03604	0.1
277.21823	0.2
280.96414	0.1
310.20950	0.1
315.29141	0.1
367.49170	0.1
397.13477	0.5
517.05396	0.1
637.99078	0.1
665.04218	0.1
718.26337	0.1
782.33551	0.1
816.49957	0.6
817.36682	0.2
817.51379	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.5
61.98703	100.0
64.71178	0.2
67.18214	0.2
69.23560	1.8
71.01244	0.4
75.41728	0.2
78.95789	0.9
80.96404	0.7
85.02817	0.2
87.00741	0.3
98.19811	0.4
101.02348	0.2
116.92770	0.3
132.19379	0.2
133.02864	0.2
135.04454	0.7
152.99509	0.3
153.67603	0.2
161.02400	0.7
179.03455	0.7
180.03833	0.2
191.05592	0.4
225.11366	0.2
291.19803	0.3
293.21201	0.4
295.22830	0.3
341.23114	0.3
572.72839	0.2
664.71796	0.2
679.67395	0.2
816.50616	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	815.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.5
59.66474	0.7
61.98696	3.3
71.01238	2.3
73.02798	0.9
78.95773	100.0
79.95597	1.5
80.96384	3.4
95.04928	0.8
96.06078	0.7
96.96845	21.8
97.02823	1.2
109.06480	2.9
125.09589	2.3
127.11177	3.5
128.98375	0.7
134.98370	1.1
152.99489	24.9
155.10667	1.4
161.02361	1.1
163.11172	2.1
165.09108	0.8
171.10184	75.0
172.10538	4.1
179.03372	1.6
181.12270	1.7
199.09692	7.3
199.13243	0.7
201.11250	5.6
207.10219	6.5
209.11794	3.2
215.12888	1.7
221.67046	0.7
223.00075	9.1
225.00710	1.1
225.11272	11.7
233.01355	0.7
241.01152	52.3
242.01518	2.0
243.12337	1.9
255.23268	66.1
256.23630	5.0
259.02243	4.3
261.13452	3.2
272.63370	0.7
277.21771	3.3
278.22141	0.9
297.03726	3.4
307.09775	1.0
315.04871	2.3
391.22601	5.9
397.12625	1.1
553.27887	4.0
565.11072	0.8
571.28662	1.8
725.38757	77.0
726.39172	16.5
753.38922	3.6
779.39600	7.4
780.40369	1.6
797.40790	29.6
798.41248	7.0
815.41370	17.7
816.43030	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	815.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.8
65.28563	0.3
67.05041	0.3
69.19024	2.9
69.19447	1.1
71.01257	5.0
74.07781	0.4
75.06715	0.4
75.09528	0.4
84.17616	0.4
85.02823	6.1
89.02331	0.9
93.03342	0.4
95.01284	2.0
97.02835	0.6
98.20523	0.9
99.00777	0.8
101.02264	0.5
105.03343	0.6
107.04925	0.7
109.02831	1.6
113.01641	0.7
113.02341	8.7
117.03333	1.1
121.02920	0.5
122.94051	0.4
124.84057	0.4
132.02040	2.0
133.02852	32.3
134.03691	4.9
135.04414	62.3
136.04753	2.9
137.02338	2.3
137.05931	0.6
139.03941	0.6
143.03445	0.8
149.00565	0.5
149.05980	0.6
150.03192	0.6
158.03650	0.5
159.04427	1.1
159.95262	0.4
160.01454	0.6
161.02350	72.1
162.02652	2.3
163.04048	0.7
172.05234	1.2
173.06024	1.9
174.06747	0.8
175.03851	0.8
177.05499	0.8
178.02644	7.7
178.04080	0.8
179.03419	100.0
180.03757	4.2
181.04997	4.3
186.06796	0.7
187.03915	0.8
187.07553	5.9
189.05453	0.7
200.04710	1.2
201.05476	6.9
201.09160	1.7
202.06232	1.9
203.03430	2.3
203.06998	1.3
205.92572	0.5
213.05408	0.5
213.09052	0.8
215.07071	6.4
216.07440	0.5
221.04500	0.7
227.03474	0.9
228.07907	0.6
229.08623	3.6
230.09424	4.2
231.06653	1.0
231.10130	2.1
233.04370	0.7
245.04706	0.9
247.09709	0.4
251.05602	1.7
257.08185	2.1
275.09286	1.2
276.32095	0.5
323.07639	1.1
325.09247	1.8
325.97467	0.5
347.97607	0.5
461.16690	0.5
485.13089	0.5
486.13779	2.2
487.07495	0.9
487.14551	18.5
488.14963	1.9
555.20642	0.6
556.21887	0.5
614.08026	0.5
675.23029	1.4
706.46570	0.5
717.24164	2.7
718.24762	11.6
719.24933	2.3
782.74463	0.5
815.31458	6.1
815.47083	0.8
816.30988	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	815.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
59.01249	2.3
71.01255	4.4
71.24567	0.3
73.02828	0.4
85.02818	5.8
87.00762	0.4
89.02326	0.9
89.03822	0.3
95.01272	1.8
97.02885	0.6
99.00785	0.9
101.02297	0.4
105.03331	0.8
106.04099	0.3
107.04969	0.6
109.02850	1.3
113.02338	7.0
117.03349	1.1
119.04929	0.4
121.02894	0.5
123.04403	0.4
125.02382	0.3
132.02080	2.7
133.02856	32.3
134.03697	4.8
135.04422	59.6
136.04782	1.7
137.02353	2.4
137.05991	0.7
139.03879	0.7
143.03371	1.0
146.03688	0.5
150.03169	0.4
158.03627	0.9
159.04436	0.6
160.01544	0.6
161.02361	66.1
162.02687	2.8
172.05208	1.1
173.06023	1.7
174.03180	0.7
174.06812	0.6
175.03937	0.8
177.05486	0.9
178.02655	6.3
179.03427	100.0
180.03786	3.7
181.05016	4.8
186.06793	0.6
187.03926	1.4
187.07573	2.3
188.07921	0.4
200.03127	0.5
200.04784	0.6
201.05527	6.0
201.09164	1.6
202.06299	2.2
203.03464	2.1
203.06982	1.1
207.10187	0.5
209.11801	1.0
215.07114	0.9
221.04436	0.5
225.11398	0.4
228.07872	0.9
229.08664	2.8
230.09441	4.2
231.10132	1.3
233.04506	1.1
245.04323	0.6
247.09709	0.5
249.11337	0.6
251.05560	1.1
257.08176	0.4
275.09131	1.0
305.06387	0.4
323.07700	1.6
325.09320	2.6
397.13333	0.4
466.56985	0.3
485.13052	0.6
486.13910	3.3
487.14612	19.5
488.14938	2.6
492.79865	0.4
555.20355	1.1
577.88000	0.3
653.28650	0.6
675.23285	0.7
717.24268	4.1
718.12030	0.7
718.24756	13.6
719.25208	2.5
736.52582	0.4
815.31281	6.8
816.31360	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	815.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01250	2.2
63.80006	0.3
70.27012	1.3
71.01248	2.9
85.02823	5.1
87.00762	0.5
89.02338	0.8
89.22395	0.3
95.01279	1.9
96.77558	0.3
97.02840	0.4
99.00784	0.8
101.02357	0.4
104.07200	0.3
105.03361	0.8
107.04933	0.6
109.02831	1.4
113.02344	7.7
115.01730	0.4
117.03343	0.8
121.02900	0.6
123.04346	0.4
132.02068	1.7
133.02861	31.7
134.03699	5.0
135.04424	57.9
136.04747	2.3
137.02350	2.3
137.05997	0.6
139.03908	0.9
143.03438	0.7
145.02797	0.5
146.03653	0.5
147.04457	0.5
148.05130	0.5
149.05994	0.5
150.03130	0.4
158.03610	0.6
159.04453	0.8
161.02362	69.3
162.02679	3.2
172.05222	1.2
173.05991	1.7
173.09802	0.4
174.03172	0.7
175.03903	0.8
177.05399	0.7
178.02663	6.1
179.03430	100.0
180.03778	5.3
181.05003	4.2
185.05902	0.4
186.06715	0.4
187.03943	0.6
187.07518	2.2
189.05560	0.5
190.06384	0.4
200.04764	1.2
201.05531	6.3
201.09189	1.1
202.06265	2.1
203.03415	1.8
203.07040	0.6
213.05640	0.3
215.07056	1.9
217.05086	0.4
221.04593	0.6
228.07825	0.5
229.08681	2.6
230.09444	4.9
231.10086	1.3
233.04550	0.8
245.04559	0.6
247.09798	0.5
249.11273	0.6
251.05635	1.2
257.08173	0.7
262.54047	0.4
275.09320	1.0
305.06766	0.4
323.07626	1.6
325.09341	2.6
485.13007	0.7
486.13837	2.7
487.14612	19.5
488.15088	2.4
555.20264	0.6
601.05316	0.4
653.28973	0.4
675.22504	0.4
717.23804	3.3
718.24768	11.6
719.25031	2.3
754.99078	0.4
815.31305	6.2
816.31903	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	814.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25896	0.2
59.01254	0.6
61.98705	100.0
71.01253	0.3
75.00764	0.3
78.95798	0.4
79.95593	0.2
80.96409	0.5
116.92696	0.2
133.02876	0.3
135.04411	0.4
149.30457	0.2
161.02379	0.6
179.03471	0.7
186.26901	0.2
191.05560	0.3
197.11760	0.3
207.10164	0.3
209.11768	0.4
225.11536	0.2
263.34528	0.2
277.21719	0.2
293.21448	0.3
815.38672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.1
61.18032	0.3
61.98701	0.7
63.37385	0.3
69.21699	2.8
70.36529	0.3
71.01251	4.5
72.99184	0.5
79.56385	0.3
85.02824	5.6
87.00746	0.4
89.02318	0.9
93.03410	0.4
95.01265	2.3
96.95915	0.3
98.20587	0.6
100.82053	0.3
101.02322	0.7
105.03345	1.0
107.04904	0.6
109.02865	0.7
113.02334	9.7
117.03346	1.8
119.04942	0.4
121.02847	0.4
122.30293	0.3
123.04438	1.2
132.02061	2.8
133.02853	37.0
134.03578	3.5
135.04416	32.4
136.04756	1.3
137.02348	1.3
143.03340	0.4
149.05925	0.5
151.03932	1.1
159.04459	0.4
161.02351	100.0
162.02682	4.8
163.03929	1.9
172.05188	0.6
173.06015	0.6
175.03938	0.6
177.05554	0.4
178.02649	2.4
178.06261	1.9
179.03416	44.5
180.03755	1.9
181.05009	1.0
185.05997	0.4
187.03970	0.4
187.07567	2.1
189.05527	0.4
191.05583	0.9
193.08478	0.6
195.26759	0.3
199.03928	0.3
201.05463	1.4
201.09198	0.5
202.06187	1.0
203.03479	1.2
209.11819	0.4
215.07030	2.0
229.08633	1.1
230.09438	1.5
231.06512	0.4
233.04475	0.4
245.04382	0.5
251.05609	0.5
257.08057	0.8
275.08841	0.3
323.07480	0.5
325.09131	1.6
459.14713	0.5
467.50735	0.3
486.13589	1.0
487.14557	5.8
488.14981	1.0
621.17871	1.8
622.18823	1.8
637.21484	0.5
653.24335	1.7
717.24298	0.9
718.24469	3.3
719.25269	1.0
815.28027	17.6
816.28302	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	813.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92146	2.7
59.01247	29.1
59.67283	3.0
61.72053	3.9
61.98699	68.9
69.03328	4.7
70.06733	12.6
71.01245	10.0
72.99144	4.7
78.95792	7.4
80.02587	4.3
83.01245	4.7
83.04883	8.9
83.18903	2.8
83.52612	3.2
85.02824	4.4
85.86594	3.0
87.00739	4.4
89.02309	12.3
95.04938	3.8
95.12093	3.5
96.95888	6.3
97.02827	13.0
98.19928	4.9
101.02323	12.0
109.06461	31.6
111.08020	5.9
113.02371	5.4
116.92784	4.1
123.04475	3.7
133.98073	2.9
135.08069	6.2
135.22748	3.1
137.09543	4.7
138.79903	4.0
161.02324	6.0
163.11214	20.0
171.10204	7.4
185.11780	4.1
191.05553	5.1
197.11754	22.1
207.10201	80.6
208.10666	5.3
209.11775	100.0
210.12082	4.7
211.13376	5.5
223.13356	10.4
225.11273	28.8
227.12856	16.6
235.08144	7.9
245.19142	6.4
253.09239	28.6
279.93527	3.5
289.18063	26.9
291.19693	23.4
292.20020	5.0
293.21121	3.9
295.18930	3.2
307.19006	21.7
309.20657	65.1
310.21124	4.1
330.04047	3.3
443.19043	4.3
461.20187	8.6
514.61157	3.7
537.68280	4.1
545.29382	4.3
569.16644	8.6
656.21686	3.7
716.23529	22.4
717.23364	8.0
753.40747	34.1
754.41223	9.7
760.19238	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	813.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
61.93457	1.1
61.98687	3.5
63.37715	1.0
69.60241	7.6
71.01260	1.5
78.49397	1.1
78.95778	59.7
80.02550	1.3
80.96384	8.3
81.03340	2.1
83.04889	5.8
83.45228	1.0
91.86124	1.1
94.97971	1.9
96.96841	15.9
152.98361	1.2
152.99496	15.1
163.11203	5.4
164.98550	1.4
165.12767	2.5
181.12302	2.1
191.10706	1.4
192.19124	1.1
194.91101	1.1
207.10138	2.4
209.11774	66.7
210.12120	5.0
223.00093	5.7
225.00716	2.3
225.11272	2.9
227.12863	5.5
241.01164	31.6
242.01443	1.5
252.65686	1.2
255.23267	43.2
256.23560	4.0
259.02182	2.3
267.80597	1.0
277.21771	6.0
277.31223	1.0
297.03864	1.4
328.38550	1.6
391.22455	3.7
466.76917	1.2
499.03076	1.1
553.28015	3.2
591.28241	1.2
721.41925	2.0
781.41064	5.8
782.41254	1.7
795.40106	3.5
813.44012	100.0
814.44324	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	811.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	41.2
61.98708	28.2
66.88469	2.7
71.01247	12.5
72.99146	3.0
73.02818	3.8
78.95786	5.4
81.03334	5.8
83.01281	5.2
85.02787	4.8
87.00750	3.3
88.03906	3.2
89.02340	6.5
97.02827	17.3
97.06445	6.4
100.33572	2.9
101.02325	11.1
105.91451	3.0
109.06470	40.9
113.02326	5.6
123.04443	5.4
123.08088	3.2
125.09598	12.1
135.08038	3.7
136.05183	3.3
137.09662	4.5
142.02646	4.8
142.55608	3.8
145.51917	3.2
151.11215	3.2
161.02373	3.6
163.11201	22.1
181.12268	8.9
185.11699	8.8
187.09557	3.6
189.09105	5.1
191.14304	7.6
207.10214	100.0
208.10480	6.6
209.11829	34.8
211.13345	4.3
218.15947	3.3
223.13359	11.1
225.11269	52.0
229.20599	4.2
235.08180	9.3
245.19081	11.2
253.09262	21.1
271.17426	3.9
287.16913	4.2
289.18127	55.5
290.18350	6.7
291.19592	4.1
307.19153	45.0
308.19556	3.7
309.20712	3.3
339.60745	3.3
417.23096	5.2
443.19467	4.8
461.20090	15.4
553.30359	3.7
621.28918	3.6
635.30194	8.3
653.31635	6.4
733.37872	8.5
733.93268	3.5
751.38892	35.6
752.38934	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	811.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.4
58.00472	2.6
59.01250	100.0
60.79700	0.6
69.03343	0.8
71.01254	51.9
72.01591	1.1
72.99191	3.0
73.02821	58.4
74.03141	0.7
75.00747	2.6
81.03349	0.8
83.01263	21.0
85.02827	7.0
87.00731	3.1
89.02318	27.3
95.01275	1.4
99.00764	1.3
99.04425	1.1
99.41407	0.6
101.02324	66.5
102.02709	0.8
113.02335	17.2
113.03089	1.2
114.02728	0.9
119.03388	18.1
122.06135	0.6
125.02351	2.0
127.03972	1.1
129.01825	0.8
131.03384	5.0
131.76999	0.6
133.02872	0.8
135.04477	1.6
136.01553	7.6
143.03406	7.6
145.04979	3.0
149.04465	13.5
151.03912	9.9
155.03395	1.6
161.02338	1.8
161.04469	26.2
162.04845	0.8
163.03998	1.0
173.04602	0.8
179.03386	0.9
179.03995	0.9
179.05550	8.0
187.07564	1.3
191.05608	3.0
202.06282	1.2
203.05594	1.6
221.06630	6.8
229.08768	1.9
235.08240	1.2
245.06728	0.7
261.11292	5.2
263.07700	3.5
283.11813	4.7
307.10367	12.4
325.12955	10.2
326.13263	1.3
357.13339	5.0
448.13910	2.3
514.98724	0.7
648.84894	0.8
665.24438	3.5
736.96149	0.7
817.20953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.00955	1.8
59.01251	25.0
61.98707	5.1
69.03317	2.9
70.40916	0.9
71.01247	6.1
72.99170	1.0
73.02804	1.5
75.10643	1.1
78.95760	1.5
83.01261	2.0
85.02834	1.6
87.00777	1.6
89.02336	5.0
95.04855	1.4
97.06459	2.1
101.02331	5.4
106.35297	1.0
113.02320	2.6
116.11481	0.9
116.92714	1.1
121.41580	1.0
123.04427	2.4
125.09612	4.1
135.04393	1.6
137.09653	1.4
145.05020	1.6
149.09602	1.5
161.02359	2.2
161.04482	1.6
163.11176	3.1
167.10664	4.2
171.10109	1.7
177.12827	1.8
179.03380	2.8
179.10735	2.4
179.14330	3.1
181.48341	1.0
185.11760	5.3
191.05582	1.3
191.14343	4.1
195.13818	11.7
205.12296	11.3
207.10188	2.4
209.11816	9.3
211.13379	1.7
223.13351	100.0
224.13698	4.4
225.11287	1.6
235.08183	3.7
245.19179	6.7
253.09253	12.0
263.20099	1.5
271.16943	1.3
289.18091	30.5
290.18558	1.5
307.19159	26.7
308.19345	2.1
415.24643	1.7
459.22339	9.4
495.31000	2.1
512.61279	1.1
513.32159	2.4
633.33447	4.7
651.33759	2.4
678.99786	1.3
713.39166	1.4
749.39679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83879	0.3
59.01255	1.3
60.99169	2.3
61.98704	0.9
65.08723	0.4
70.12700	1.6
70.27257	0.3
71.01254	1.2
85.02796	0.3
88.98676	14.4
93.03327	4.3
95.04918	0.3
101.02308	0.4
103.00252	0.7
105.03324	0.5
108.02060	0.6
109.02837	0.6
109.79835	0.3
113.02340	0.5
116.92686	0.5
121.02852	5.6
122.03630	15.6
123.00757	0.8
123.04432	0.9
124.01594	0.6
125.02312	0.4
133.02879	2.5
134.03647	1.0
135.04417	2.9
136.01567	1.8
137.02335	1.6
138.03110	0.4
138.68698	0.4
138.69777	0.4
139.03835	0.5
144.42236	0.4
146.03590	0.8
149.02348	19.1
150.03128	93.9
151.00281	1.1
151.03554	4.2
151.44609	0.3
161.02333	3.0
161.05864	0.4
162.03018	0.6
164.04730	4.2
165.05479	100.0
166.02637	3.7
166.05823	4.3
177.01871	0.9
177.05504	1.1
178.05873	0.4
179.03416	3.1
179.07056	4.1
180.04198	6.4
181.04977	5.3
187.07497	0.5
191.05530	1.3
193.04912	0.8
195.06558	81.3
196.06903	3.6
205.04988	0.6
209.11755	0.7
211.13145	0.3
219.06636	0.8
235.20454	0.4
313.71606	0.4
319.63715	0.4
336.69540	0.3
387.10245	0.7
387.11343	0.4
387.14572	2.2
417.15536	9.4
418.15701	0.7
565.20862	3.5
566.20978	0.5
595.21643	1.0
599.26636	0.5
613.22815	3.4
614.23358	0.7
622.18823	1.0
667.23358	0.5
673.47833	0.4
676.31982	0.4
681.63031	0.4
719.25494	0.9
761.27478	0.7
809.29974	1.0
834.92822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
60.99178	0.6
61.98681	0.4
63.38803	0.3
65.00182	0.4
67.01772	0.3
69.22226	1.8
69.22652	1.5
71.01263	0.4
73.90385	0.3
75.14364	0.3
76.10977	0.3
81.03320	0.3
88.98673	2.3
93.03333	4.6
94.03673	0.4
95.01264	0.9
95.04903	0.4
105.03369	0.4
107.04974	0.4
108.02075	1.1
109.02819	1.7
111.00735	0.3
116.92755	0.6
121.02834	6.4
122.03629	15.7
123.00790	1.2
123.04392	1.1
124.01550	1.0
126.22164	0.3
131.43951	0.3
132.02069	0.9
133.02867	3.0
134.03616	3.0
135.04404	2.0
136.01541	6.9
137.02347	5.3
137.05923	0.4
138.03094	0.4
139.03897	0.6
140.74751	0.3
145.02855	0.6
146.03636	2.0
147.04433	0.9
148.01514	0.3
149.02347	29.8
149.05971	3.8
150.03128	100.0
151.00296	2.1
151.03926	18.3
152.01070	0.6
152.04588	1.2
153.01796	0.8
153.05516	0.6
161.02351	2.0
161.05977	1.0
162.03166	1.5
163.03963	0.6
164.04718	7.3
165.05481	89.1
166.02620	5.6
166.05801	3.7
167.03323	0.9
175.03931	0.9
177.01810	0.6
177.05484	3.4
178.02605	0.7
179.03503	1.6
179.07048	9.1
180.04189	5.8
180.07401	0.3
181.04970	8.3
184.03703	0.7
185.67313	0.4
187.03909	1.0
189.05453	0.5
191.03452	0.4
191.05470	0.8
192.04211	0.4
193.05022	0.9
195.06554	55.5
196.06949	2.4
202.06259	0.4
203.03447	0.5
205.04967	2.2
206.05528	0.3
207.06676	0.6
219.06541	2.0
220.07317	1.7
221.07962	0.5
225.07790	0.4
282.05249	0.3
315.08612	0.7
329.10239	0.7
373.12802	1.2
387.10800	0.6
387.14752	3.2
402.13043	0.4
403.13904	1.1
416.14655	1.0
417.15533	10.7
418.15704	0.9
421.14719	0.4
442.66974	0.3
445.62070	0.3
471.16217	0.6
535.16479	1.1
550.18066	0.8
551.18750	1.1
564.19855	1.9
565.20734	21.1
566.21240	3.5
595.21863	3.2
613.22791	5.7
614.22919	0.8
619.21625	1.5
649.22760	0.5
667.24017	0.5
713.25977	9.5
714.26538	2.4
725.25909	0.8
743.26886	3.6
744.26709	0.8
761.27924	1.8
791.28961	0.9
809.29962	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	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
60.99221	0.3
61.98693	0.4
63.45165	0.3
69.85536	1.1
80.44254	0.3
81.14461	0.3
88.98691	2.2
89.02331	0.3
93.03337	4.0
95.01264	0.4
95.04894	0.5
105.03279	0.3
108.02055	0.6
109.02854	0.8
111.92600	0.2
121.02838	4.8
122.03628	14.4
122.31464	0.3
123.00774	0.6
123.04407	0.9
124.01553	0.6
125.02379	0.3
133.02849	1.7
134.03600	1.6
135.04413	1.0
136.01541	4.4
137.02368	3.5
137.05971	0.3
138.03113	0.3
139.03940	0.5
145.02855	0.3
146.03653	1.1
147.04442	0.4
149.02344	20.1
149.05962	1.4
150.03123	96.4
151.00262	2.0
151.03909	8.5
152.04619	1.0
152.66229	0.2
161.02351	1.3
161.06012	0.3
162.03079	0.7
163.03934	0.5
164.04712	4.3
165.01823	2.4
165.05478	100.0
166.02638	5.0
166.05804	3.8
167.03365	0.6
175.03946	0.7
177.01891	0.4
177.05434	1.0
179.03490	1.5
179.07054	5.8
180.04196	7.8
180.07448	0.3
181.04971	7.6
187.03867	0.4
189.05544	0.3
190.06268	0.4
191.05518	0.7
192.04216	0.3
193.04935	0.4
194.05711	0.3
195.06554	75.0
196.06926	4.3
205.05046	1.0
207.06514	0.4
219.06586	0.8
220.07297	0.7
225.07561	1.5
275.09213	0.9
289.70770	0.3
301.07162	1.0
313.41241	0.3
329.10226	0.4
339.08630	0.3
357.09668	0.6
357.13553	0.6
372.12186	0.4
373.13025	1.3
386.13812	0.4
387.10861	0.5
387.14645	4.4
388.14819	0.5
402.13248	0.4
403.13815	0.7
417.15524	8.0
418.15936	1.1
516.00629	0.3
535.16266	0.5
550.17767	0.3
565.20795	13.4
566.21240	2.1
583.62445	0.3
595.21869	2.1
613.22809	3.7
614.23187	0.5
619.21716	0.5
649.22839	0.3
688.09198	0.3
688.24225	0.3
713.25714	1.8
743.27136	1.0
761.27386	1.5
762.28912	0.4
809.30316	1.3
810.30450	0.5
826.00922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
58.00466	0.9
59.01251	15.9
61.98704	1.4
68.99676	0.4
69.03316	1.2
71.01254	17.4
72.84983	0.3
72.99183	2.0
73.02817	3.3
74.69843	0.2
75.00748	0.5
78.95762	0.4
79.95630	0.3
80.96394	1.0
81.03326	0.9
83.01261	2.1
85.02821	4.6
87.00751	5.4
88.98701	0.3
89.02318	14.1
93.03365	0.3
94.97977	0.3
95.01270	1.4
97.02834	3.2
99.00777	1.2
99.04416	0.4
101.02319	13.9
102.02773	0.2
111.00763	0.4
111.04394	0.7
113.02332	9.3
114.02596	0.3
115.03924	0.3
119.03379	3.3
121.02844	0.2
123.04400	0.3
124.01514	0.5
125.02328	8.6
125.09585	1.2
127.03867	0.4
127.11177	2.0
131.03401	0.8
133.04962	0.6
137.02325	0.5
139.03923	1.0
141.01802	0.3
143.03409	3.1
145.04994	0.3
145.09964	0.3
149.04485	0.4
151.04010	0.2
153.09123	0.3
161.04469	3.2
164.98647	0.3
167.03352	0.7
169.04919	0.2
171.10178	100.0
172.10535	4.8
179.05542	3.8
185.11737	0.3
195.13792	0.8
199.06094	1.0
203.05453	0.3
204.90263	0.2
213.11218	0.6
217.07149	1.3
221.06619	1.2
235.08186	5.8
236.08614	0.4
245.06790	0.6
253.09201	1.7
255.23268	67.4
256.23630	6.2
256.26004	0.2
259.08234	0.8
263.07642	0.4
269.06784	0.3
269.24783	0.7
277.09329	0.3
277.21689	0.4
280.26917	0.2
287.07764	2.3
293.21173	2.3
294.21585	0.4
295.22794	3.5
296.23041	0.2
297.24420	0.4
301.09235	0.3
305.08768	2.3
323.09879	1.2
361.11066	0.3
379.12436	12.7
380.12778	0.9
397.13486	38.7
398.13846	3.2
415.14563	7.6
416.14777	0.6
462.93329	0.2
469.75082	0.2
551.23645	1.4
563.47876	0.3
569.24426	0.9
635.36322	0.6
653.37860	2.0
654.38379	0.4
749.30078	0.3
807.42322	0.8
808.41602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26110	7.0
59.01241	23.1
59.02350	11.4
61.98706	100.0
71.01244	13.8
75.00707	9.1
78.95766	73.0
79.95654	8.3
80.96365	17.5
84.41902	8.3
85.02832	9.4
87.04384	12.9
88.16179	9.1
93.58561	7.2
96.96838	8.8
98.20583	14.5
101.89998	7.7
113.02357	13.2
121.38921	7.9
131.03368	23.6
135.95998	6.5
152.99434	13.8
155.75287	8.0
171.10210	11.8
181.64319	8.4
182.09131	8.6
201.11365	8.9
207.10168	11.0
209.11754	66.9
225.11328	15.7
227.12793	8.9
246.68491	8.0
253.09195	15.7
291.19623	20.3
293.21207	46.6
465.22476	9.8
618.64008	11.3
758.69916	9.8
807.42889	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	24.2
59.85021	3.0
61.98706	55.1
69.22048	12.5
69.22468	23.8
69.81775	2.9
71.01256	32.5
72.89664	3.2
73.02832	3.5
74.97225	2.9
75.00767	3.7
75.40793	3.1
78.95779	12.8
83.01264	5.4
83.04874	5.3
85.02843	7.6
87.00755	6.5
89.02310	10.8
93.03335	3.8
96.95892	4.5
97.02830	3.7
98.20526	6.9
101.02319	8.9
109.06473	7.9
111.00750	5.1
113.02300	6.7
125.09599	7.7
133.02809	7.0
135.04436	6.3
143.03444	4.2
146.89590	3.1
152.99510	3.4
161.02327	12.3
161.04453	4.6
163.11153	9.9
165.12686	6.1
171.10179	22.5
179.03386	8.3
181.12172	6.3
185.11693	3.7
189.20505	3.6
191.05559	7.9
197.11674	16.3
199.09723	7.4
201.11205	4.6
205.08560	3.6
207.10185	34.1
209.11761	100.0
210.12152	6.1
211.13339	8.2
223.09697	10.3
223.13327	4.7
225.11241	27.4
227.12825	22.2
235.08156	7.1
243.12419	3.6
245.19055	5.9
252.14185	3.4
253.09213	35.2
289.18076	27.3
290.18433	5.0
291.19699	24.2
291.22531	5.2
293.21161	27.1
307.19156	23.5
309.20642	38.1
310.21027	4.6
423.48236	4.2
451.67242	4.2
461.20541	5.4
711.38922	6.7
735.39642	10.8
753.40704	24.1
754.41156	9.3
807.38959	11.9
808.36365	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	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
58.00468	0.2
59.01249	2.9
59.96614	0.1
61.98690	0.5
69.03345	0.2
70.81596	0.3
71.01252	2.5
73.02823	0.4
78.95776	0.3
79.95581	0.1
80.96391	0.2
83.01248	0.3
85.02822	0.6
87.00751	0.5
89.02315	1.9
95.01252	0.2
95.04888	0.2
95.54656	0.1
99.00762	0.2
99.97229	0.1
101.02325	2.3
111.08018	0.3
113.02335	1.2
113.09616	0.3
113.63640	0.1
119.03408	0.7
121.10130	0.2
131.03471	0.1
143.03424	0.3
145.04968	0.1
152.99515	0.2
161.04482	1.4
167.10715	0.3
171.10150	0.7
177.12704	0.2
179.05537	0.5
179.10715	0.2
179.14359	0.7
180.86974	0.1
181.12228	0.3
195.13831	8.5
196.14259	0.5
197.15321	0.2
205.12256	0.7
205.15923	0.3
206.16025	0.1
211.13341	0.7
223.13350	5.7
224.13792	0.4
225.14868	0.2
228.13661	0.6
231.21127	0.5
235.08206	0.8
239.12880	0.2
249.22247	0.3
253.09254	16.2
254.09656	0.7
255.23082	0.1
256.13129	1.1
265.21851	0.5
275.20148	5.9
276.20441	0.5
277.21579	0.1
282.56113	0.1
293.21207	100.0
294.21542	8.2
423.21109	0.1
492.21973	0.4
529.30188	1.0
530.30096	0.1
569.42139	1.3
570.42358	0.1
656.95349	0.1
696.39636	0.1
739.74316	0.1
776.86481	0.1
806.42517	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01255	2.1
61.89407	0.3
61.98709	5.0
69.78717	1.9
71.01252	1.0
71.04902	0.6
78.95786	3.3
80.96395	1.0
83.04917	0.8
89.02293	0.3
93.03328	0.4
95.04883	0.6
96.96878	0.3
98.19878	0.5
101.02299	0.6
109.06490	0.3
111.08049	8.3
113.09662	0.4
121.02899	0.4
121.88279	0.3
125.09621	0.4
137.09625	0.7
139.11182	0.5
149.09660	0.6
152.99506	0.9
166.80406	0.3
167.10727	1.7
171.10153	0.6
177.12827	2.1
179.10677	1.9
193.16011	0.5
194.28534	0.3
195.13864	6.0
203.14349	0.5
204.80734	0.3
209.11853	0.3
225.00708	0.6
232.59454	0.3
236.08267	0.3
242.80695	0.3
247.20689	2.3
253.09264	0.9
273.18701	0.8
277.21713	5.4
278.22061	0.4
291.19672	100.0
292.20013	9.0
292.23331	0.5
704.63727	0.3
805.40198	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	805.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22867	2.0
57.03323	2.9
58.11770	2.1
59.01249	21.1
61.98703	9.8
71.01258	16.3
71.27641	2.9
71.27966	3.0
72.99188	2.9
73.19805	2.0
75.00746	2.8
78.95782	2.2
80.04938	7.2
83.01244	2.1
83.04929	2.8
85.02834	6.8
87.00754	3.4
89.02309	8.7
93.03316	6.4
96.95885	11.4
101.02298	5.6
104.04898	2.6
106.06522	5.2
107.03651	5.6
110.44611	2.0
110.47563	2.0
111.04366	3.2
113.02329	6.6
120.08057	2.0
122.06020	47.8
127.05637	1.8
132.04468	3.4
133.02841	14.7
134.03647	1.8
134.06013	21.1
135.04417	10.2
137.02315	2.7
146.06021	2.2
149.04463	7.4
150.03052	2.7
152.07077	69.9
153.07399	3.4
160.03947	3.0
161.02357	28.1
161.04489	3.0
162.02747	2.5
165.09157	2.0
173.04462	5.6
173.05949	2.2
174.05608	2.5
177.01750	2.2
179.03416	5.4
188.07114	4.1
191.05544	28.3
192.05812	2.7
197.11736	4.0
201.05603	3.7
202.06273	2.8
209.11768	9.5
211.08652	2.6
213.10326	12.2
225.10410	3.9
226.11052	2.4
230.09531	2.5
239.11885	12.0
241.13496	9.3
245.12917	7.8
249.10222	3.9
250.07407	3.8
251.08165	3.8
251.12012	3.1
253.09735	5.1
263.08273	3.3
265.09723	9.8
267.11356	4.3
277.09973	2.5
278.07101	4.2
278.10431	4.3
279.07797	3.5
279.11346	6.2
283.13467	3.1
285.12396	31.3
292.08359	3.1
293.09296	14.1
293.12881	6.3
294.09985	7.8
295.10760	12.4
307.10852	5.4
315.10770	2.1
323.10400	6.3
324.10681	2.4
325.11795	2.9
337.08298	14.1
339.09763	3.0
355.13077	3.4
358.15652	10.1
384.13354	3.3
397.13727	3.5
400.16519	13.9
401.16852	3.0
412.16797	4.8
436.18396	2.5
458.16870	2.8
459.18042	5.0
460.18866	9.5
474.20575	3.1
486.17044	2.8
503.16864	5.8
504.17789	20.5
505.18054	6.5
518.19025	5.6
523.23718	2.9
536.19873	2.4
550.22052	20.2
565.24518	27.2
566.24561	6.1
597.27014	5.9
598.28394	2.8
609.23560	39.0
610.23926	6.4
614.21808	3.5
618.46338	2.2
641.26160	100.0
642.26746	16.2
643.27759	2.7
668.24170	3.3
673.28815	47.2
674.29187	10.7
773.30377	20.2
774.30579	3.9
788.81873	5.6
789.31995	2.8
795.84192	2.3
805.32788	26.5
806.33411	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	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.4
67.01747	1.0
71.01259	3.0
71.21867	0.8
71.50298	1.2
81.03302	0.7
85.02823	2.1
89.02332	1.9
93.03340	2.3
95.01328	0.7
101.02283	0.9
109.02844	4.4
117.45417	0.8
119.40376	0.8
121.02921	0.9
123.00767	1.7
123.04453	1.1
125.02328	1.1
127.03910	0.9
133.02888	1.9
135.04413	3.3
136.01532	1.8
137.02356	28.4
138.03168	1.0
149.02397	1.6
149.04466	0.8
150.03157	2.9
151.00290	14.1
151.03888	4.4
152.01025	1.8
152.04716	3.6
153.05423	1.2
159.04401	0.8
161.02327	1.4
162.03142	1.0
163.03947	1.9
164.01062	1.6
165.01857	100.0
165.05525	4.5
166.02635	38.8
166.06200	1.0
167.03407	4.7
173.04509	2.1
175.03882	2.2
177.01842	3.3
177.05527	2.2
178.02628	2.0
179.03427	28.5
179.07062	0.8
180.04211	67.3
181.04994	46.6
181.56996	0.7
182.05348	2.3
182.58043	0.8
184.03790	1.1
187.03928	2.8
190.06238	1.6
191.03706	1.1
191.05557	12.0
192.04242	1.9
193.04994	2.9
194.05798	4.7
195.06572	84.5
196.06967	5.8
202.06293	1.0
205.05093	4.8
207.06609	2.4
210.05283	13.7
211.05853	1.0
219.06409	1.0
220.07385	3.8
221.08275	1.4
225.07652	70.6
226.07939	3.3
294.64682	0.9
345.09875	1.3
346.84494	0.9
359.11487	1.9
371.11411	1.2
372.11874	1.0
386.13702	1.9
387.10117	5.6
387.15195	6.7
399.70615	0.8
402.13199	4.5
403.13864	1.3
416.14844	3.7
417.15579	61.9
418.15988	6.6
565.17010	2.3
580.19189	1.4
595.21906	57.6
596.22125	12.6
613.23010	0.9
625.22845	1.6
643.24017	28.8
644.24323	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	804.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01250	42.9
61.98701	15.2
69.03313	1.6
69.45485	6.8
71.01252	26.3
72.99184	2.0
73.02815	13.1
78.95783	1.8
83.01272	3.8
85.02823	9.2
87.00767	2.8
88.98644	0.9
89.02319	11.1
91.52895	0.7
95.01270	2.9
96.95888	10.1
96.96869	1.0
97.02818	1.6
99.00771	1.5
101.02322	15.3
108.00623	0.7
113.02328	8.5
114.09164	2.1
115.07581	1.5
116.92745	2.5
119.03397	1.9
125.02346	1.1
133.02858	1.7
135.04462	1.2
143.03291	0.8
149.04504	1.5
156.10197	4.9
158.11761	7.9
161.02405	2.0
161.04424	1.6
167.14316	12.0
171.10176	2.1
179.03394	1.3
191.05501	3.1
197.11827	1.3
207.10164	1.6
209.11734	3.2
211.13336	15.7
212.13651	1.9
223.16919	1.2
225.11328	2.0
229.12309	1.6
229.14403	13.7
237.18517	2.2
240.66948	0.9
241.18066	1.1
265.18149	6.5
265.21686	5.4
266.18484	1.0
267.19577	1.2
272.18698	3.3
290.21194	1.1
308.22400	2.3
309.20718	1.8
316.21393	0.8
320.16904	1.4
397.13425	1.3
397.99878	0.9
434.23853	2.3
469.41293	0.9
488.28983	1.3
530.29407	2.2
568.34900	3.2
586.35895	4.3
628.37006	100.0
629.37299	19.5
760.41174	21.8
761.41180	5.8
804.44464	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	803.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
59.01246	6.0
59.68548	0.5
61.98687	1.7
70.62075	1.3
71.01247	5.4
72.04857	0.5
73.02802	0.8
78.95789	1.3
80.96375	1.3
83.04903	0.6
85.06877	0.4
87.00782	0.6
89.02316	2.3
91.22331	0.4
95.04886	0.7
97.02870	0.6
97.06426	0.6
101.02334	3.8
111.08032	7.8
112.08353	0.6
113.02315	1.9
137.09615	0.5
145.52098	0.6
161.04457	1.4
167.09323	0.6
167.10564	2.3
177.12791	2.4
179.05411	0.7
179.10632	1.8
179.14307	0.5
195.13841	11.5
196.14322	0.5
205.15926	0.7
223.13336	5.1
224.13652	0.5
228.13615	0.7
235.08144	2.8
247.20630	2.0
253.09258	13.0
254.09554	0.6
256.13223	0.6
273.18631	1.4
275.20120	4.7
291.19650	100.0
292.19992	6.7
293.21219	76.6
294.21594	5.3
393.69876	0.5
422.21530	0.6
432.87665	0.5
492.21347	0.6
527.28619	8.1
528.28571	0.7
529.30194	0.8
567.39386	0.7
593.11072	0.6
713.38983	0.8
803.43561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.1
57.95682	2.5
59.01254	27.3
59.43473	2.4
61.98699	63.5
71.01250	100.0
71.04876	2.4
73.02814	5.0
73.70177	2.6
75.00734	2.8
78.95752	3.8
78.98493	3.1
79.95604	7.1
80.96379	16.0
81.03327	3.7
83.04916	5.2
85.02828	4.8
88.98653	5.8
89.02313	8.1
93.03374	3.3
94.97959	5.3
96.95905	3.9
97.02829	7.4
99.00750	16.0
99.31155	2.4
101.02324	11.1
109.06491	20.4
111.08087	7.3
113.02319	5.9
125.09606	8.2
133.02867	5.1
135.04427	3.8
135.08060	6.5
161.02403	3.3
161.04539	3.2
161.09665	2.8
163.11208	21.4
164.98457	3.7
165.12712	2.6
169.12306	3.8
171.10185	28.7
172.10468	2.9
179.03352	3.5
179.10765	3.5
181.12286	19.0
185.11716	5.5
191.05540	5.7
197.11751	29.7
199.13411	14.2
201.11252	8.1
207.10199	72.3
208.10620	4.4
209.11755	24.6
211.13367	13.0
225.00658	8.5
225.09035	3.4
225.11270	60.4
226.11601	3.8
227.12842	6.6
229.37309	3.0
235.08156	4.9
243.12282	14.1
248.26018	2.7
253.09254	20.0
255.57735	2.5
291.19662	19.8
309.20709	43.5
310.21021	3.8
348.54852	2.7
443.19073	4.5
448.14740	2.8
461.20193	14.5
479.21423	7.4
687.32092	16.3
688.32544	4.8
753.40729	12.0
754.41034	5.8
771.41876	4.4
803.39673	25.6
804.41254	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.2
71.01260	0.2
71.06809	0.2
78.95789	0.1
80.96384	0.1
89.00312	0.1
130.41644	0.1
132.41638	0.1
133.02840	0.1
135.04410	0.1
161.02490	0.1
181.80797	0.1
191.35071	0.1
209.11836	0.2
211.13332	0.1
239.13206	0.1
373.59689	0.1
704.28430	0.1
802.49640	0.2
803.40021	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	28.8
61.98704	25.1
66.00375	1.8
69.40656	2.1
71.01250	18.7
71.50852	2.9
73.02819	3.0
80.04921	7.3
85.02814	5.2
87.00751	3.8
89.02312	6.8
93.03345	4.3
94.06501	2.9
96.95876	16.3
101.02305	6.4
104.04916	2.1
106.06478	9.6
107.03645	6.3
111.04368	2.8
113.02325	6.5
115.00175	2.0
116.92695	2.1
119.03389	2.9
119.29060	1.7
122.05998	40.3
132.04433	3.6
133.02843	9.6
134.06010	29.6
135.04416	11.3
148.03961	3.6
149.04477	4.6
150.05556	1.9
150.06723	2.1
152.07076	54.6
160.06322	3.6
161.01048	2.2
161.02336	16.5
162.02620	2.7
165.09047	2.3
173.04607	1.8
174.05525	3.9
175.02458	2.8
175.51361	1.7
176.63847	1.7
179.03476	10.6
179.10857	2.3
190.05031	8.0
191.05534	12.5
197.11844	4.1
209.11795	4.0
211.08672	2.4
213.10284	29.2
225.10538	3.8
226.11040	2.5
237.10294	4.3
239.11850	22.7
241.13432	13.1
245.12891	7.4
251.08292	1.9
251.11859	4.7
265.09677	5.2
267.11407	14.6
277.09869	2.3
285.03812	2.3
285.12466	64.3
286.12781	4.5
293.09610	2.2
293.12927	7.5
295.10889	6.6
299.01825	2.4
305.09265	2.5
307.10849	2.6
313.11908	3.8
316.14520	8.1
323.10327	7.3
324.11087	3.2
325.11865	4.6
326.12671	2.5
327.13467	2.4
328.10901	4.2
340.10724	2.9
340.14496	17.6
342.12305	3.3
343.13260	5.0
344.13934	3.8
355.12955	8.2
356.13797	3.9
357.14725	2.6
358.15616	21.5
359.16382	2.3
384.13287	12.0
385.14117	2.4
396.13620	2.8
398.14838	3.4
399.15784	3.1
400.16675	16.9
412.16614	9.9
481.22339	3.6
497.25452	3.1
523.23438	6.8
542.61810	2.1
565.24554	43.0
566.24640	7.6
591.22424	31.0
592.22406	4.5
609.13574	4.8
609.23492	100.0
610.23920	18.6
623.25177	8.6
641.26147	92.0
642.26526	21.5
651.24182	2.4
683.26538	8.8
743.30408	2.1
771.28821	54.1
772.28998	12.3
803.29272	9.1
804.32104	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	801.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01257	11.4
61.98705	14.1
69.03321	4.6
71.01247	9.9
71.04892	2.1
71.50571	1.0
72.99152	0.9
73.02818	2.0
80.96401	0.9
83.01236	1.5
83.04890	2.4
84.02021	1.8
85.02829	3.0
87.00745	2.7
93.03345	2.4
95.01265	1.2
95.04906	1.4
96.95891	3.4
97.02826	2.3
97.06448	5.7
101.02325	4.5
101.76345	0.8
109.06491	1.1
111.04400	0.8
113.02337	4.3
116.92732	3.6
119.04892	1.8
121.02853	1.3
123.08022	1.5
125.02342	0.9
125.09599	3.4
131.03358	1.3
133.02823	3.5
135.04414	3.6
137.09599	1.6
149.04465	6.9
151.11189	2.8
153.12840	1.0
161.02368	6.5
161.04440	2.0
161.09592	4.1
163.03915	2.8
164.04341	1.0
171.10178	12.4
173.04477	1.6
179.03375	1.5
179.10701	6.3
185.11711	1.4
191.05542	6.7
193.12218	5.5
197.11758	66.9
198.12134	2.9
207.10208	2.0
209.11732	5.8
211.13289	3.9
223.09711	1.2
223.13373	1.6
225.11227	2.4
225.14851	6.7
227.12816	1.3
235.08215	1.0
237.14888	0.9
241.10760	3.7
243.15991	3.8
253.09265	3.5
323.22137	1.0
341.23297	13.0
342.23877	1.1
370.77832	0.8
477.19962	1.4
628.15735	0.9
801.42780	100.0
802.43195	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	801.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
59.01257	13.2
61.98698	13.7
69.03313	6.6
69.86657	3.0
69.87070	3.7
71.01254	15.6
73.02818	3.2
74.99135	1.1
78.41814	1.1
78.95730	1.4
83.01249	1.2
83.04879	1.8
84.02037	3.7
85.02811	3.8
87.00749	1.9
93.03310	1.5
95.01237	1.8
96.95884	5.1
97.02800	2.4
97.06444	4.5
101.02315	5.5
109.06463	1.9
112.10352	1.1
113.02338	4.1
116.92720	4.3
119.03448	1.2
119.04899	2.2
121.02843	1.2
123.08021	2.3
125.09618	3.7
133.02823	2.8
135.04411	2.4
137.09590	1.2
143.03380	1.4
149.04469	11.3
151.11195	4.7
153.12723	1.6
159.04498	1.4
161.02362	5.6
161.04422	2.5
161.09599	4.3
163.03883	4.2
164.04282	2.8
171.10175	14.5
172.05035	1.2
173.04504	1.9
179.03427	3.2
179.10687	7.1
191.05547	7.2
193.12267	5.1
197.11758	71.4
198.12135	3.6
201.05470	1.7
207.10222	3.7
209.11842	7.2
211.13324	3.1
223.09714	1.8
223.13176	1.9
225.11244	3.4
225.14934	8.2
230.09564	1.4
237.14903	2.3
237.90854	1.4
241.10770	2.4
243.15918	3.2
253.09241	4.6
341.23322	12.4
397.14005	1.4
413.55237	1.8
415.73151	1.2
479.19730	1.3
626.34991	1.7
769.39093	2.1
779.69891	1.3
801.42822	100.0
802.42963	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	800.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16924	0.1
56.45929	0.1
59.01247	0.5
61.98703	100.0
62.98391	0.2
63.11515	0.1
69.99191	0.6
71.01256	0.5
73.02825	0.2
85.02846	0.4
89.02341	0.4
93.03351	0.2
96.95921	0.4
97.02837	0.2
101.02342	0.2
113.02333	0.4
116.92714	0.2
119.04937	0.2
133.02896	0.5
135.04396	0.7
147.04434	0.1
149.04478	0.5
161.02351	1.0
161.83604	0.1
163.03952	0.4
164.04272	0.1
173.04477	0.4
173.05884	0.2
179.03407	0.9
179.10704	0.2
187.07529	0.2
191.05507	1.4
202.06194	0.2
209.11833	0.3
211.13492	0.2
215.07040	0.3
216.07594	0.2
228.13037	0.1
247.43616	0.2
291.64728	0.1
373.07510	0.2
800.37897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.2
61.98700	100.0
62.98403	0.2
68.34454	0.1
70.01865	0.3
71.01279	0.1
78.95792	0.2
85.02868	0.1
89.06241	0.1
98.20566	0.1
108.12962	0.1
109.06542	0.1
116.92742	0.7
129.34364	0.1
130.65430	0.1
133.02892	0.1
134.26668	0.1
153.01140	0.1
161.02283	0.1
187.98447	0.1
191.05383	0.1
196.94753	0.1
197.11835	0.2
207.10292	0.1
208.10544	0.1
209.11800	0.2
211.13309	0.2
225.59193	0.1
236.95598	0.1
253.09384	0.1
291.09305	0.1
293.21344	0.2
294.21664	0.1
309.20813	0.2
379.53818	0.1
523.97577	0.1
698.03595	0.1
729.62433	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86895	0.5
57.03328	0.6
59.01247	1.1
61.41619	0.5
61.98425	0.5
61.98698	2.9
63.96109	1.7
69.03341	1.2
71.01250	9.8
72.99197	0.5
73.02818	2.4
78.95777	1.0
78.98457	9.0
79.95135	0.8
79.95602	18.1
80.96387	100.0
81.03337	1.2
85.02822	4.4
87.00765	3.6
94.97963	22.8
96.95886	1.6
97.02832	2.2
99.00732	1.1
101.02344	3.5
103.11185	0.7
106.97984	4.4
122.97473	4.2
125.02349	3.8
127.03863	0.9
134.97482	6.8
136.99084	2.7
143.03336	0.7
148.99037	8.1
152.98521	7.8
155.85643	0.5
164.98547	18.3
171.10159	2.0
178.79137	0.6
206.99611	3.4
211.13347	1.3
225.00706	28.9
226.00999	1.1
250.75778	0.5
255.23169	1.8
257.06433	0.5
277.21765	0.9
283.04938	0.6
319.69583	0.6
320.26767	0.5
328.62341	0.6
344.29086	0.5
387.70114	0.5
439.37860	0.5
453.14191	4.2
537.27368	2.2
709.38348	94.6
710.38678	21.6
781.40332	12.5
782.41766	2.6
799.41455	25.7
800.41528	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	797.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
63.96099	1.5
69.03327	0.7
69.84606	2.0
71.01251	6.4
73.02819	1.8
78.98464	5.7
79.95603	10.3
80.96387	64.3
81.03342	0.6
82.40608	0.4
85.02827	2.2
87.00752	2.8
94.97961	14.5
95.01263	0.4
96.95886	1.0
97.02837	1.8
99.00793	0.5
101.02324	1.9
106.97958	2.9
115.66270	0.4
122.97514	2.6
122.98315	0.4
125.02348	3.0
127.03917	0.6
134.97481	4.1
136.99046	1.5
148.99048	6.4
152.98555	6.4
164.98558	12.0
206.99654	2.1
209.11853	1.0
225.00697	19.0
226.01030	0.6
255.23268	1.4
283.04791	0.4
323.64969	0.5
365.87860	0.5
373.83719	0.4
484.48422	0.4
537.27600	1.2
541.19714	1.7
736.16919	0.4
748.98822	0.6
765.41602	0.6
788.19287	0.4
797.43567	100.0
798.43872	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	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45738	0.1
59.00385	0.1
61.98704	100.0
62.98409	0.2
70.80412	0.2
71.01258	0.2
80.96399	0.1
85.92770	0.1
102.89410	0.1
211.13396	0.1
223.13463	0.1
224.13676	0.1
255.23326	0.2
277.21814	0.4
294.21686	0.2
296.21719	0.1
454.98920	0.1
786.68274	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.9
59.01249	35.3
61.98696	3.5
64.16525	1.0
68.99691	1.6
69.03314	2.0
70.37180	2.1
70.37540	4.3
71.01253	100.0
72.01590	1.6
72.05476	1.1
72.99183	1.5
73.02823	7.3
78.95752	1.4
80.02531	1.5
81.03339	2.7
83.01273	2.4
83.04910	2.8
85.02821	12.2
86.37621	1.1
87.00753	6.8
89.02316	23.7
93.03340	2.8
95.01275	3.3
95.04912	1.3
97.02824	8.6
97.06425	1.6
99.00766	3.1
101.02319	15.9
109.06470	22.2
110.03644	1.5
113.02335	14.2
117.03349	6.2
119.03469	6.1
119.04911	35.4
120.05251	1.6
121.06515	2.1
123.04375	1.9
125.02345	5.5
125.05972	1.3
125.09689	1.6
133.02827	4.8
134.03548	1.4
135.04459	6.1
135.08054	4.4
135.21133	1.1
142.02600	1.6
143.03389	7.2
145.02855	19.9
146.03334	1.2
155.04924	1.2
158.03592	1.4
159.04384	1.7
161.02356	8.0
161.04469	3.4
161.05806	1.5
161.09642	1.7
163.03920	63.3
163.11203	16.2
164.04259	3.4
171.10156	7.4
173.06000	3.2
179.03455	7.1
179.05502	5.4
181.12242	6.3
185.11707	1.4
187.03932	2.8
187.07597	5.2
191.05542	8.2
199.09631	3.7
200.04788	2.2
201.05479	12.3
201.09166	3.5
201.11247	9.3
202.06300	2.1
207.10204	59.3
208.10583	3.0
209.11815	6.2
211.13362	2.3
215.07004	1.3
221.06546	2.5
225.11276	47.9
226.11597	3.4
228.07854	2.6
229.08626	7.5
230.09399	16.6
231.09952	1.6
235.06052	2.4
235.08183	6.4
243.12311	4.1
253.09058	3.8
257.95810	1.2
259.06082	1.3
293.84186	1.2
299.15222	1.1
307.08191	5.6
309.09653	1.3
317.77777	1.3
383.34857	1.2
397.13516	23.8
398.13971	2.8
415.14539	16.2
416.14978	1.8
471.15430	5.6
555.20966	1.7
623.15625	2.5
623.25488	34.9
624.26434	8.8
701.25000	2.9
702.25366	4.2
781.35999	2.0
799.34784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51760	0.2
59.01251	0.7
61.98706	7.2
66.27450	0.2
69.98934	0.4
69.99336	0.6
71.01254	0.4
73.02824	2.9
75.00748	0.6
78.95786	0.7
99.00763	0.9
99.92462	10.3
100.92504	0.6
103.49831	0.2
116.92749	100.0
116.97118	2.4
117.01822	6.6
117.92758	5.0
152.99484	0.3
196.20305	0.2
209.11890	0.4
225.11346	0.3
397.13760	0.3
448.24457	0.3
545.41107	0.3
577.79059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.1
61.98702	74.3
71.01251	6.0
71.49657	3.3
78.95769	3.4
80.02542	2.9
81.03277	2.7
83.04887	3.3
87.00733	3.0
89.02315	6.6
96.95911	3.1
97.02844	5.2
99.00780	2.7
101.02318	8.1
109.06477	39.3
113.02329	2.3
121.06437	2.7
123.04362	3.3
135.08043	3.1
146.67616	2.3
161.02414	2.9
161.09558	3.1
163.11177	18.0
171.10199	2.5
181.12236	4.5
189.09082	2.3
195.13803	10.0
196.01521	2.0
197.11594	3.1
199.90247	1.9
207.10196	100.0
208.10551	6.6
209.11774	9.1
211.13341	2.8
223.13449	14.6
225.11278	33.6
235.08167	7.3
253.09236	29.7
275.20108	9.8
291.19543	5.1
293.21219	85.6
294.21454	8.6
299.15222	2.5
300.92880	2.1
309.16089	2.1
309.20459	2.5
443.19104	6.8
461.20462	13.9
483.31491	2.8
541.99414	2.1
542.95343	2.5
605.22760	2.1
673.94574	2.9
719.39905	4.1
737.41101	35.3
738.41644	7.6
800.91681	2.4
822.71973	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	13.4
61.98705	41.5
69.35912	3.3
71.01254	9.9
71.49281	4.2
78.95793	5.3
85.02806	3.6
87.74574	3.2
89.02335	5.5
96.95910	3.6
97.02893	3.3
98.75934	3.1
99.00762	11.5
101.02329	4.6
109.06453	5.1
124.25783	3.6
130.06129	3.0
135.04434	3.4
163.11263	5.3
181.12201	12.1
195.13776	9.2
197.11652	4.3
207.10208	48.1
209.11674	9.2
223.13289	3.3
225.11279	72.4
226.11646	4.4
227.94781	3.6
243.12311	10.2
253.09245	10.5
275.20096	6.6
291.19907	4.0
293.18054	7.3
293.21225	100.0
293.24500	6.2
294.21536	7.0
309.20767	6.4
461.20242	16.1
473.99933	3.5
488.98087	3.8
690.98779	3.6
737.41180	42.8
738.41187	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	791.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.4
61.98698	62.4
70.47576	6.0
70.47969	6.2
71.01252	39.5
71.45653	3.0
71.94234	2.9
74.30885	2.8
78.95776	40.6
80.96365	3.7
83.04878	3.3
85.02822	4.4
89.02296	7.0
95.01221	2.8
97.02780	2.8
101.02332	5.9
109.06479	13.3
113.02290	4.2
116.60421	3.0
125.09608	3.6
152.99489	10.7
153.10045	3.3
163.11240	6.0
171.10168	23.9
195.13771	3.8
207.10194	46.8
209.11781	71.9
210.12172	6.0
211.13394	7.0
225.00490	3.1
225.11241	27.2
227.12840	17.0
235.08290	5.8
253.09265	26.6
275.20157	4.7
291.19641	100.0
292.20059	9.3
293.21222	58.6
294.21405	6.4
327.21719	4.7
461.20288	10.2
665.85559	3.2
673.60071	3.6
705.31683	4.5
737.41412	8.5
791.39758	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	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
61.98706	1.7
71.20693	0.2
73.02817	4.3
75.00745	0.5
75.17500	0.1
78.95776	0.5
80.96394	0.3
87.00757	0.1
89.02322	0.3
96.80427	0.1
99.00734	1.0
99.92460	9.5
100.92469	0.4
101.02335	0.2
114.93288	0.5
115.00365	0.2
116.03459	0.2
116.92746	100.0
116.97101	1.2
117.01816	11.3
117.05461	0.5
117.92757	4.8
118.02107	0.2
133.02895	0.2
161.02376	0.4
177.54176	0.1
209.11797	0.2
221.77628	0.1
253.09265	0.2
277.21741	0.2
293.21237	0.1
310.10623	0.1
397.13577	0.3
415.14508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.1
59.01246	0.8
61.98706	1.1
65.20479	0.1
71.01244	0.5
71.04967	0.2
71.05326	0.1
73.02818	8.5
74.02322	0.3
75.00733	1.4
77.29256	0.1
78.95788	0.2
78.98484	0.1
80.96396	0.7
84.35236	0.1
85.02798	0.1
87.00746	0.3
89.02312	0.3
99.00759	1.8
99.92461	9.8
100.92479	0.6
101.02301	0.1
107.70427	0.1
114.93296	0.5
115.00330	0.1
115.03903	0.2
115.99807	0.1
116.03441	0.4
116.92747	100.0
117.01819	19.9
117.05470	1.1
117.92749	4.3
118.02190	0.3
119.03368	0.1
161.94382	0.1
204.24164	0.1
209.11676	0.1
225.00731	0.1
273.08209	0.1
277.21686	0.3
287.01953	0.1
293.21432	0.2
397.13272	0.5
415.14481	0.2
563.13696	0.1
705.38202	0.1
793.51349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08893	32.3
71.48486	34.9
71.48840	45.4
80.96400	100.0
83.46343	30.8
93.45016	26.3
95.97340	30.5
101.71235	26.9
106.21071	28.1
155.87863	29.4
158.86841	28.6
199.54388	27.4
225.22021	27.6
296.62775	26.4
316.69830	32.4
326.99225	29.4
381.81042	31.3
452.51468	31.8
501.55899	30.8
511.79419	35.7
542.63672	36.1
793.51019	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	16.2
61.98385	5.7
61.98700	100.0
70.29025	10.6
70.29399	6.6
71.01261	10.6
73.02810	4.7
75.06718	3.3
75.79195	3.3
78.95757	15.1
80.96365	4.0
89.02293	5.0
101.19903	3.3
101.98297	3.4
114.76832	3.5
116.92771	8.1
121.58168	3.2
152.99487	6.3
161.02330	5.1
166.68793	3.2
171.10190	7.8
173.04413	3.7
179.03366	4.4
191.05490	5.4
197.11725	13.4
204.69623	3.4
207.10194	5.2
209.11774	61.4
211.13274	8.1
225.11447	3.2
227.12895	18.5
253.09270	12.6
291.19565	11.3
293.21042	5.0
309.20676	47.1
310.20822	5.3
362.23605	4.0
420.01733	3.4
507.58389	4.0
516.35388	3.6
623.49487	3.9
734.03723	5.0
791.39221	25.8
792.40259	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	789.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.9
61.98705	100.0
65.61791	4.2
67.75777	4.1
70.55689	14.7
71.01255	42.4
78.95766	35.5
83.04899	7.1
85.04000	4.4
87.00726	5.9
88.98681	12.0
89.02316	8.9
90.89288	4.8
96.95923	4.9
98.19837	5.2
100.19771	4.2
101.02325	9.6
109.06453	13.8
125.09541	4.5
129.67024	4.4
137.79279	3.8
149.35365	4.9
152.99525	13.8
163.11200	4.3
167.10800	5.0
171.10213	31.6
185.11784	6.3
191.05542	4.5
192.13309	4.1
197.11725	10.9
207.10229	32.0
209.11766	43.8
211.13359	7.0
225.11261	21.8
227.12830	9.8
235.08247	7.0
253.09216	27.1
289.18118	11.3
291.19748	19.9
293.21344	6.5
295.47171	4.3
307.19370	19.5
309.20773	41.6
311.22366	5.7
324.15637	4.1
327.21729	8.3
351.63425	4.5
380.04767	4.2
445.20108	4.5
461.20267	9.0
529.64459	4.3
753.40924	24.2
771.40906	7.1
789.38489	26.4
790.38226	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	789.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.2
58.00452	2.3
59.01255	26.7
61.98703	22.1
69.03297	2.4
70.46772	5.6
71.01252	100.0
72.01584	2.2
73.02811	3.9
75.00743	4.1
78.95766	7.3
81.03347	2.8
83.01230	4.3
83.04896	7.0
85.02834	4.0
87.00747	6.1
89.02316	11.9
95.04883	2.8
95.32050	1.8
96.95863	2.9
97.02838	4.6
97.06472	4.4
99.00780	2.5
101.02323	12.2
105.26258	2.0
109.06481	10.0
111.08035	6.8
111.52402	2.1
113.02286	7.7
116.92760	2.4
119.03409	2.3
125.09541	9.4
127.11150	3.9
133.02818	2.6
135.04451	4.2
135.05490	1.8
152.99495	2.6
153.09068	3.0
155.10732	2.6
161.02304	4.6
161.04482	6.7
163.11176	8.7
165.09099	2.0
165.12788	3.6
171.10182	92.0
172.10500	3.4
179.03458	3.1
181.12248	4.2
185.11751	5.0
191.05573	4.7
193.12257	4.8
197.11772	32.4
199.09674	13.4
199.13362	4.1
201.11258	44.1
207.10188	19.0
209.11768	86.2
210.12093	6.3
211.13286	8.6
225.11255	24.7
225.14902	5.1
227.12825	11.0
235.08144	10.5
253.09241	32.4
263.20282	2.3
289.18185	11.9
291.19705	15.1
307.19266	9.3
309.17279	3.7
309.20700	47.6
310.21039	4.3
327.21790	3.3
343.20926	3.7
343.24875	34.3
344.25079	3.6
461.20334	4.9
501.15594	2.9
763.15466	2.2
789.42444	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	787.448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08989	3.2
59.01254	26.5
61.98702	40.2
66.73245	2.5
71.01252	88.6
71.49583	3.8
73.02825	4.8
75.00700	4.2
78.95766	45.6
83.01273	3.4
83.04890	4.2
85.02821	5.8
87.00748	9.8
88.98689	3.4
89.02315	5.5
93.03320	3.5
96.96808	3.3
97.02847	4.2
99.00768	5.9
101.02314	12.3
103.86536	3.1
109.06458	14.3
110.93917	3.6
113.02328	3.9
125.09618	3.9
152.99478	21.0
161.04480	5.1
163.11195	11.8
171.10150	26.7
173.04448	3.3
181.12206	8.0
191.05495	10.7
195.13814	13.1
197.11748	12.3
199.13338	4.5
201.11240	9.1
207.10185	53.8
208.10498	5.9
209.11751	49.4
211.13344	5.9
223.13341	6.1
225.11258	43.1
226.11555	5.8
227.12833	6.9
235.08183	6.7
243.12160	4.6
253.09258	25.5
275.20123	7.4
291.19632	37.9
292.19824	3.6
293.21198	100.0
294.21484	12.5
307.19144	3.9
341.23328	7.5
436.58707	3.2
443.19324	4.3
445.20099	8.7
461.20203	7.1
477.22864	5.4
505.52173	3.0
516.81256	3.6
636.32190	3.8
648.34845	3.5
731.06055	3.3
737.40826	12.3
751.39191	5.3
755.42023	3.6
787.44800	41.6
788.44153	13.4
813.39093	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	789.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52578	0.8
58.82415	0.9
59.01259	6.3
60.50982	0.8
61.98699	5.6
71.01258	6.3
71.50826	1.5
83.04910	1.1
85.02827	3.2
87.00774	1.0
89.02323	4.0
92.65184	0.9
93.03313	3.2
95.01254	1.3
95.04916	0.9
96.95877	3.4
101.02336	2.6
109.02837	3.5
113.02330	3.3
116.92749	2.0
119.03360	1.6
119.04887	1.8
120.04479	1.2
121.02910	1.2
121.05215	1.0
122.06019	1.6
123.00721	2.2
123.04393	1.1
124.01521	2.7
125.02338	2.6
133.02835	4.3
133.06477	4.1
134.03619	1.8
134.06071	1.3
135.04437	8.9
136.04770	1.3
136.07549	3.6
137.02350	12.3
138.03171	1.2
139.00223	1.2
139.03926	2.5
145.02843	2.8
147.04247	1.2
149.02348	2.6
149.04454	6.0
149.05540	0.9
150.03131	1.7
150.06770	1.3
151.00273	23.1
151.01497	1.1
151.03862	3.3
152.01031	1.7
152.04643	1.9
152.07040	1.3
159.04404	1.3
161.02367	6.0
162.03040	1.2
163.03879	2.4
165.01807	1.0
165.05542	1.2
166.02631	80.7
167.03111	6.0
171.11713	0.9
173.04425	2.8
175.03896	2.8
176.04634	0.9
177.01880	5.5
177.05455	1.6
178.02696	2.2
179.03349	4.6
181.04982	100.0
182.05362	4.5
184.03717	1.8
187.03891	2.0
189.05458	1.2
190.06111	1.2
191.03474	2.9
191.05519	11.1
192.04314	1.6
192.05917	1.5
193.04883	2.0
195.02853	1.4
195.79826	1.1
202.06261	1.4
204.04065	1.0
205.05035	6.7
205.08636	1.6
206.05745	2.8
207.06479	1.8
214.12262	3.4
219.06525	1.4
220.07292	3.2
221.04428	1.4
221.08159	6.0
230.11737	1.2
231.10115	1.7
241.04755	0.9
241.09808	2.7
242.10597	5.1
257.12946	27.4
258.13248	1.9
260.51193	1.2
275.09332	1.8
301.11914	22.4
302.12292	1.9
329.10303	1.2
339.09015	1.2
357.09631	1.8
359.11487	2.4
372.12106	5.3
373.12628	1.3
387.10596	11.0
387.14511	26.0
388.10956	2.1
388.15094	2.4
399.14294	2.0
401.16064	1.7
402.13229	12.5
403.13718	2.2
417.15543	96.0
418.15894	11.4
431.16946	1.9
433.16293	11.5
434.16641	1.7
597.23462	10.7
598.23474	2.1
627.24438	45.2
628.24860	8.1
657.26294	2.9
657.37689	1.9
677.91315	1.0
789.29382	2.7
789.42688	1.6
790.29108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03325	1.4
57.68237	0.3
58.00461	0.6
59.01247	7.3
61.98697	4.3
68.99678	0.3
69.03317	1.7
69.57573	1.3
69.57985	0.5
71.01250	7.6
71.04887	0.5
72.99186	0.6
73.02792	1.4
73.26060	0.2
74.36156	0.3
75.00733	0.2
78.95775	0.3
79.05417	0.3
79.95634	0.3
80.02547	1.4
81.03336	1.4
83.01251	1.1
83.04892	5.4
84.02035	2.7
85.02820	2.6
87.00749	2.4
89.02309	4.4
93.03332	0.6
95.01295	0.4
95.04904	1.2
96.95899	1.5
97.02819	0.9
97.05887	0.4
97.06472	5.4
98.19905	0.5
99.00752	0.5
99.04395	1.2
99.92464	0.4
101.02322	4.7
109.06475	1.1
111.00709	0.3
111.04366	0.4
111.08041	0.4
113.02323	2.0
116.92749	4.7
117.92741	0.4
119.03354	0.9
121.02822	0.3
123.08078	0.5
125.02347	0.5
125.05936	0.8
125.09612	1.6
127.11176	0.5
133.02847	0.9
133.64635	0.3
135.04408	1.1
135.08038	1.2
137.09598	1.0
139.07524	0.3
143.03442	0.4
145.04993	0.6
149.04492	0.4
149.13240	0.3
151.11215	0.6
153.09094	0.4
155.10710	0.3
161.02379	1.4
161.04486	1.6
161.05640	0.4
163.11182	4.2
165.12752	2.7
169.12288	0.3
171.10168	12.6
172.10506	0.7
173.04443	0.5
173.09610	0.3
175.11168	0.4
179.03403	0.6
179.05510	0.5
181.12318	0.8
183.13921	0.4
185.11716	0.5
191.05559	1.6
191.10667	0.8
193.12268	6.4
194.12567	0.4
197.11789	1.0
197.15501	0.5
201.11256	3.0
203.10791	0.4
207.10239	1.6
209.11765	100.0
210.12103	5.3
211.13318	2.6
221.11816	0.7
223.13283	0.5
225.11383	2.9
225.14899	9.4
226.11635	0.5
226.15288	0.5
227.12842	11.1
228.13139	0.6
235.08168	5.3
243.15994	3.6
244.16409	0.5
249.14838	0.5
253.09264	16.4
253.14537	0.7
254.09630	0.8
289.18027	0.7
291.19638	0.9
305.17676	0.6
305.21063	0.4
309.20737	0.3
323.22305	1.2
325.20135	2.7
326.20627	0.3
327.21786	0.5
341.23294	60.1
342.23672	5.7
445.20731	1.7
461.20288	0.4
463.21649	0.4
533.34888	2.2
577.32404	1.5
740.92957	0.3
787.42267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.00996	1.5
59.01254	18.7
61.98700	12.9
65.86475	1.3
71.01250	18.6
71.50217	1.9
72.99165	2.1
73.02821	2.1
73.57254	1.3
78.95770	4.5
80.02541	2.7
81.03337	1.7
83.04900	4.2
85.02836	2.1
87.00738	5.8
89.02294	4.4
93.03284	1.6
97.06406	1.2
99.00703	2.1
101.02297	4.9
109.06480	2.4
111.08041	3.5
113.02315	3.0
119.03364	1.6
123.08027	1.5
125.09589	3.3
127.07490	1.3
133.02852	1.3
135.04375	3.5
137.09586	1.3
143.03394	1.4
152.79851	1.2
152.99359	1.6
155.20653	1.3
161.02330	4.0
161.04446	3.2
163.11166	6.0
165.12701	4.5
169.12267	6.7
171.10176	11.9
179.03395	4.1
181.12239	2.6
191.05457	4.7
197.11758	20.3
199.13333	1.6
201.11237	3.7
207.10199	5.8
209.11763	100.0
210.12129	7.8
211.13278	5.1
223.09737	1.5
225.11238	7.6
227.12857	17.2
228.13075	1.9
235.08163	4.5
243.12267	2.7
250.23529	1.4
253.09259	15.5
289.18091	4.4
291.19659	18.1
292.20111	2.2
307.19199	4.4
309.20703	42.4
310.21088	3.4
319.55234	1.3
341.23233	2.5
405.27618	1.4
414.97708	1.5
461.20126	1.6
501.32147	1.8
771.03583	1.6
787.40833	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	787.448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80888	1.0
57.03337	1.6
59.01252	31.1
61.98703	18.1
63.95560	1.0
65.59644	0.9
69.03328	1.7
71.01255	20.1
71.50108	1.7
72.99187	1.6
73.02822	3.0
73.94673	0.9
75.00747	1.4
78.95775	9.6
79.95597	1.1
80.02561	1.4
80.96371	5.7
81.03342	1.8
83.01248	2.2
83.04892	5.5
85.02817	5.8
87.00756	6.9
89.02334	6.9
93.03343	3.3
94.97980	1.6
95.01286	1.5
95.04884	1.7
97.02849	1.6
97.06475	2.2
99.00747	2.6
99.04388	1.3
101.02334	8.3
109.06493	2.9
111.00694	1.2
111.04439	1.3
111.08046	5.4
113.02319	5.1
119.03407	3.2
121.52442	1.2
125.02354	1.7
125.09605	2.4
127.07532	1.3
133.02859	5.5
135.04422	5.6
135.08069	1.5
137.43135	1.0
145.05077	1.2
148.99139	1.2
149.04439	1.6
149.05913	1.1
151.11221	1.2
152.99507	3.3
161.02361	9.8
161.04463	2.9
163.11247	5.4
164.98573	2.2
165.12807	2.2
169.12215	3.7
171.10201	12.8
173.04512	2.2
179.03424	7.8
179.05566	1.4
179.10757	1.2
180.79564	1.1
181.12221	2.2
185.11874	1.4
191.05536	10.7
193.12251	1.1
197.11761	28.0
198.12091	2.9
199.13316	3.5
201.05449	1.3
201.11241	4.3
207.10248	5.5
207.42297	1.1
209.11772	100.0
210.12119	7.4
211.13315	7.6
212.13660	1.2
225.00790	2.5
225.11226	6.3
227.12839	15.8
228.13301	1.3
235.08174	6.5
253.09250	21.2
254.09560	1.3
255.23283	4.1
259.15427	1.4
271.05692	1.1
273.18683	1.4
277.21698	4.4
279.22922	1.8
289.18063	1.5
291.19620	15.2
292.19730	1.6
293.21097	2.2
295.22791	1.2
309.20691	44.8
310.21085	3.8
323.21921	1.2
341.23376	4.9
343.25003	2.5
445.20758	3.3
787.41022	14.1
788.44482	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	787.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54086	0.8
69.96534	2.5
83.04883	1.0
93.03320	3.0
94.31279	0.7
97.59323	0.9
98.19871	1.0
106.83598	1.0
111.04383	2.9
119.04922	56.7
120.05247	1.2
154.39760	0.8
163.03928	100.0
164.04245	3.4
173.04485	3.9
191.05559	11.7
235.21164	0.8
305.10272	0.9
337.09283	47.6
338.09589	3.3
340.41962	1.0
356.65729	0.8
528.50342	0.9
780.87537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11271	0.9
57.03326	2.1
59.01256	17.9
61.98709	8.2
64.16433	0.9
67.97511	1.0
69.03326	3.2
71.01259	12.1
71.50430	1.2
72.99197	0.9
73.02817	2.9
78.95781	1.9
81.03339	3.0
83.01261	1.8
83.04887	5.2
84.02043	4.2
85.02842	4.7
87.00757	3.8
88.61710	1.0
89.02306	6.0
93.03313	1.9
95.01260	1.2
95.04919	1.9
96.95896	3.7
97.02837	8.8
97.06477	8.9
99.00758	2.7
99.04411	1.8
101.02332	8.8
109.06485	34.9
110.03626	1.1
110.06873	1.7
111.04422	1.6
111.08006	1.2
113.02348	4.8
116.92759	2.0
117.92782	1.0
119.03384	1.9
121.02821	0.8
121.06463	2.8
123.04385	2.1
125.02348	1.0
125.09637	3.5
127.11211	1.0
133.02858	2.6
135.04443	4.5
135.08089	4.9
136.05162	0.8
137.05978	1.1
137.09604	1.5
138.61996	0.8
142.02611	1.5
143.03502	1.0
145.10190	1.3
150.83743	1.0
161.02391	4.9
161.04480	4.6
161.09607	2.0
163.11214	18.7
171.10204	17.3
175.03807	0.9
179.03421	2.6
179.10732	1.1
181.12279	5.5
187.07742	1.0
189.09192	2.1
191.05589	4.2
192.10526	0.9
193.12292	10.9
197.11829	2.3
201.11237	1.0
207.10229	93.6
208.10529	5.1
209.11795	9.0
211.13367	3.5
221.11870	1.4
225.11317	38.4
225.14812	17.8
226.11700	1.6
227.12924	1.8
235.08226	7.3
235.13202	1.0
241.14363	1.5
243.15948	6.5
253.09297	20.2
253.14519	1.2
289.18311	1.0
291.19666	1.9
299.15088	1.5
323.22440	2.1
325.20248	1.9
341.23337	100.0
342.23676	8.3
426.10696	1.0
443.19281	4.7
461.20334	11.6
462.20758	2.1
531.33478	2.9
577.32513	2.6
736.33942	1.0
767.42059	2.3
768.44043	1.3
785.43524	32.6
786.43567	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	787.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
57.03320	1.0
58.00468	2.0
59.01254	100.0
60.01589	1.0
61.98710	2.5
64.84264	0.6
67.01754	0.8
69.03343	2.7
69.45015	0.6
71.01258	51.9
71.50548	0.9
72.01614	1.0
72.54917	0.6
72.99191	2.1
73.02824	57.2
74.03160	0.8
75.00775	1.3
81.03339	0.7
83.01265	20.8
85.02829	12.3
87.00787	2.4
89.02321	11.4
93.03336	4.2
95.01285	2.0
97.02843	1.8
99.00764	1.4
100.66463	0.6
101.02331	62.8
102.02663	1.2
108.02058	1.3
109.02892	1.1
111.00751	0.6
111.04422	0.6
113.02341	23.5
119.03382	7.8
119.04927	1.3
121.02850	4.7
122.03631	6.9
123.04455	0.9
125.02351	2.2
131.03400	6.2
133.02855	1.9
134.03653	1.5
135.04416	4.9
136.01573	1.9
137.02382	1.7
143.03374	5.1
145.02847	0.7
149.02376	12.6
149.04430	7.0
150.03143	35.4
151.03842	2.2
155.03387	1.4
155.34030	0.6
160.01596	1.1
161.02382	2.9
161.04475	15.1
163.03923	1.8
164.04694	2.6
165.05496	34.0
166.02614	1.0
166.05795	1.3
167.03473	0.7
169.09935	0.7
173.04521	2.7
177.01826	0.7
178.02765	0.7
179.03476	2.7
180.04201	2.2
191.05556	21.7
192.05962	1.3
195.06575	28.1
196.06923	0.7
203.05472	0.8
221.06625	1.3
240.48015	0.6
251.07275	0.9
253.08620	0.6
268.07513	1.7
279.06732	1.0
280.07510	1.6
283.09869	1.4
296.06952	1.1
308.06729	1.4
309.07822	1.9
311.09372	2.4
322.08475	1.3
323.09357	4.5
323.12820	1.1
324.06601	1.5
324.10239	0.9
326.15811	0.7
337.10995	0.9
338.11526	1.1
339.08725	15.7
339.12598	1.2
340.09384	1.7
352.07913	4.2
354.11130	6.2
355.11435	1.3
369.13449	36.1
370.13998	2.8
387.14633	2.0
391.23608	0.7
439.14142	3.0
517.18640	11.0
518.19409	2.2
535.19836	4.0
565.20251	0.9
583.22015	1.5
613.19904	1.7
644.64075	0.6
720.09534	0.8
787.24847	5.1
788.26147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2505
Annotation	Ecteinascidin 786
Peak:m/z	Relative Intensity
57.03339	0.4
59.01250	8.3
66.43356	0.4
69.02947	0.4
71.01254	7.9
71.48724	0.7
73.02814	0.8
73.72351	0.4
83.01248	0.6
84.45110	0.4
85.02837	2.5
85.03278	0.5
87.00773	0.5
89.02322	6.7
95.01242	0.9
97.02837	1.0
101.02325	5.2
103.95441	0.4
105.03358	0.7
113.02330	4.7
117.03426	0.6
119.03394	2.9
122.95647	0.4
123.04411	3.6
125.02304	2.4
131.03358	0.6
132.02071	1.8
133.02850	35.6
134.03236	1.6
135.04411	12.2
136.04779	0.9
150.00272	0.5
153.05437	2.0
156.05576	0.4
161.02348	100.0
162.02705	5.5
179.03439	5.4
179.05563	0.8
180.03720	1.0
191.05582	0.9
195.34842	0.4
200.24309	0.4
270.29697	0.5
297.09589	0.4
315.10828	0.5
367.79730	0.5
367.85117	0.4
424.90668	0.4
461.16226	0.6
477.16266	0.7
495.59796	0.5
623.21820	15.0
624.22284	2.2
785.25098	58.1
786.25439	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	782.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.5
61.98705	8.1
69.99347	8.6
71.01257	2.2
71.02391	2.1
78.95792	3.5
80.96409	3.0
82.06500	3.3
85.02810	2.4
87.05515	4.1
88.20280	1.8
89.02306	1.6
96.95892	1.9
98.20516	2.3
112.07529	2.0
116.92690	2.4
121.03966	3.1
129.10233	19.9
130.08635	3.0
133.02858	2.1
135.04399	2.2
138.25551	1.7
139.08659	5.7
140.07045	3.6
152.99512	1.8
154.54001	1.8
155.08163	6.0
161.02364	4.4
164.09431	4.6
165.10287	2.7
182.12924	2.7
183.11354	2.7
191.05492	2.3
197.16544	6.3
200.14014	5.3
207.14973	16.0
208.15308	2.1
209.11772	2.9
224.17632	9.6
225.16063	4.7
242.11906	2.1
242.18764	14.1
255.23361	2.3
259.14468	4.8
277.21667	2.4
283.13394	2.0
293.21121	4.7
295.21295	9.0
310.25146	1.8
312.17340	2.7
313.22488	4.3
317.17896	2.1
329.19653	2.3
331.06015	1.8
337.26364	7.9
355.27164	2.9
402.02090	1.6
539.39227	4.7
567.02441	2.0
573.37732	4.2
782.51965	100.0
783.52563	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	785.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41671	0.3
59.01258	1.7
61.98703	3.7
71.01243	1.0
77.03802	0.4
78.95763	0.7
89.02287	0.4
91.01768	0.6
93.03332	0.6
96.95844	0.3
98.20665	0.6
100.10635	0.3
101.02364	0.3
109.06475	0.4
121.02844	100.0
122.03168	3.4
133.04973	0.6
136.01575	0.5
165.01826	2.5
169.12268	0.3
171.10225	0.6
179.63602	0.3
180.05698	0.5
181.05107	0.5
181.06483	2.2
191.03430	1.6
191.05267	0.5
197.11743	2.2
207.10110	0.7
209.04495	69.1
209.11742	1.7
210.04846	4.1
211.13400	0.3
215.12897	0.5
223.13503	0.4
225.05463	2.0
225.11269	0.7
225.14922	0.3
250.96835	0.3
253.09274	1.1
291.19534	0.5
293.21152	0.6
309.20758	1.3
313.07159	4.7
314.07608	0.5
341.23413	0.7
343.25064	0.4
353.72620	0.3
357.06186	1.8
401.08728	11.2
402.09155	1.1
433.89880	0.3
549.09985	0.7
741.14905	0.4
785.17212	1.0
785.43341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	14.3
63.96120	0.9
67.44740	0.5
70.97498	1.4
71.01254	3.8
78.95775	39.7
78.98454	3.1
79.95615	8.3
80.96389	39.2
81.03340	1.6
83.04887	3.6
84.02049	0.6
85.02813	1.9
87.00764	1.3
94.97970	7.9
96.95890	0.6
96.96835	9.2
97.02837	0.9
101.02326	1.4
106.97966	1.7
122.97462	1.5
125.02334	1.7
134.97444	1.9
134.98401	0.9
135.08031	1.1
136.99037	0.7
148.99063	2.9
152.98474	2.4
152.99492	7.0
163.11174	3.4
164.98544	5.5
165.12732	1.6
191.10648	1.0
206.99634	1.9
207.10091	0.9
209.11769	35.0
210.12125	2.2
223.00114	2.5
225.00714	12.4
227.12827	2.8
241.01141	19.7
242.01550	0.5
255.23256	21.9
256.23538	1.8
259.02161	0.9
315.04892	0.7
363.12088	1.6
380.12598	0.6
391.22812	1.3
427.36206	0.6
525.16846	1.8
553.27850	1.1
614.49957	0.6
710.39746	0.6
763.39575	3.6
764.39630	1.0
781.40979	100.0
782.41394	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	781.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
61.98687	3.5
63.96086	1.6
66.27917	0.9
70.61766	2.5
71.01250	7.7
73.02792	1.7
75.49519	0.8
78.95776	8.5
78.98464	7.1
79.95135	1.0
79.95608	33.3
80.96386	86.8
85.02827	4.5
87.00744	2.7
92.22615	0.9
94.97961	16.3
96.95878	2.3
96.96828	2.1
97.02818	2.0
100.29590	0.8
101.02287	3.2
106.97968	4.4
122.97420	3.8
125.02312	4.0
134.97450	5.8
136.99008	2.3
138.96703	1.0
148.99059	5.9
152.98453	5.9
152.99586	2.2
164.98547	12.5
180.48808	1.0
182.87003	0.8
206.99606	3.8
209.11768	7.8
210.12054	1.3
225.00688	24.8
225.11053	1.6
241.01158	4.6
255.23268	7.4
256.23532	1.8
341.05438	1.3
456.54907	1.1
507.14975	1.5
525.16504	1.5
537.27191	2.1
553.27667	1.1
763.26520	1.8
763.39380	25.5
764.39581	4.0
781.40619	100.0
782.40857	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.4
61.98703	38.4
63.96108	1.7
64.89683	0.7
69.03317	0.7
70.35705	2.6
71.01257	7.9
71.16990	0.6
73.02819	1.8
74.48540	0.8
78.95783	9.2
78.98459	5.8
79.95604	20.3
80.96391	76.1
81.03339	1.0
82.95966	2.3
85.02846	3.2
87.00743	3.1
94.97964	17.7
96.95896	0.9
96.96826	2.1
96.97471	1.0
97.02831	1.1
99.00751	1.0
101.02332	3.3
106.97980	3.2
122.97464	3.9
125.02335	3.3
127.03920	1.0
131.14906	0.7
134.97469	5.5
136.99013	1.9
148.99069	6.0
152.98441	4.4
152.99522	2.2
163.11185	1.2
164.98560	13.2
175.28065	0.6
181.12222	0.7
199.84364	0.5
206.99632	2.6
207.10130	1.0
209.11801	7.6
211.55403	0.6
215.07074	0.8
223.13248	3.4
224.13695	2.0
225.00688	21.4
225.13924	0.8
241.01141	3.6
255.23299	7.0
277.21588	1.5
278.21979	1.8
354.90735	0.7
391.22632	1.0
481.13812	0.8
507.15256	1.5
525.16565	1.1
537.27191	1.7
689.09924	0.7
763.39410	13.1
764.39435	3.2
781.40472	100.0
782.40759	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	781.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.2
60.08918	0.6
61.98698	11.8
63.96106	1.5
69.03323	1.1
70.35768	2.2
71.01253	9.3
73.02811	1.8
76.30533	0.6
78.95770	7.4
78.98463	7.2
79.95602	20.4
80.96385	88.3
81.03326	1.2
81.96324	0.8
82.95950	1.2
83.04887	0.7
83.38170	0.6
85.02821	4.3
87.00748	1.9
87.71767	0.7
94.97956	20.7
96.95885	1.7
96.96834	1.8
97.02824	2.5
101.02310	2.2
106.97968	4.6
109.39368	0.8
114.60803	0.8
122.97462	3.4
125.02325	3.1
127.03861	0.9
134.97476	7.0
136.44791	0.6
136.99043	1.9
146.97437	0.8
148.99049	7.0
152.93439	0.6
152.98518	6.4
152.99533	1.6
163.11201	1.0
164.98540	13.4
206.99654	3.5
209.11761	5.7
225.00693	28.8
225.11223	1.7
226.00993	1.3
227.12862	1.3
241.01205	3.6
241.71089	0.6
250.42906	0.6
255.23199	7.0
256.23657	0.8
283.04700	0.9
317.44458	0.6
466.26575	0.6
468.50641	0.7
525.16565	2.4
537.27460	1.5
763.39435	11.3
764.40424	2.0
781.40485	100.0
782.40765	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64582	3.0
58.42418	2.9
59.01246	11.1
61.98698	30.5
71.01251	10.8
71.21313	5.6
72.17956	2.9
78.95780	47.5
87.00729	3.7
89.02380	2.6
93.75520	2.6
96.95872	4.5
96.96824	3.2
98.95406	2.4
101.02300	4.3
109.06478	3.0
126.90856	3.0
152.99487	19.9
161.02295	4.1
171.10155	13.1
179.03499	4.6
191.05586	4.1
192.30075	2.8
195.13956	5.0
201.11247	5.1
209.11772	70.1
210.12076	4.7
211.13309	6.0
227.12891	21.2
235.08241	5.2
253.09253	27.6
275.20071	6.5
277.21667	3.8
277.63989	2.7
293.21237	100.0
294.21582	12.2
295.22781	10.6
311.22375	5.3
327.21744	4.3
445.20416	4.1
447.21564	4.0
695.28119	3.1
775.41626	45.6
776.42200	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	775.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97860	0.1
61.98703	100.0
62.98399	0.1
69.99211	0.4
71.08175	0.1
102.39316	0.1
118.95782	0.1
157.64287	0.1
228.99173	0.1
368.48456	0.1
493.74774	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47868	0.2
56.70356	0.2
59.01244	1.9
60.99176	17.5
61.38335	0.2
61.98700	43.1
69.03316	0.3
69.16673	2.0
69.17102	0.8
71.01247	1.3
72.99183	1.1
85.02816	0.6
87.00755	2.1
88.00283	3.0
88.98676	100.0
89.02315	15.0
89.98995	1.4
96.95884	0.3
98.20531	0.4
101.02318	1.0
113.02309	0.3
133.02821	0.3
135.04370	0.6
149.04430	0.4
161.02403	1.7
175.03896	0.3
179.03336	0.8
181.88159	0.3
191.05475	1.1
209.11638	0.8
211.13274	0.3
212.69836	0.3
225.11282	0.3
291.19614	0.3
293.21143	2.5
294.21429	0.3
309.68726	0.2
323.22052	0.6
397.13327	1.2
415.14496	1.2
471.12424	0.3
482.23895	0.3
498.30457	0.3
555.40851	0.3
649.33154	0.8
781.35315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.8
61.98709	11.3
71.07415	5.5
78.95782	19.9
83.04872	2.1
88.33501	1.8
89.02301	2.2
96.95890	3.2
96.96817	2.6
98.95382	2.3
101.02335	3.1
152.99469	8.5
165.12762	2.2
171.10112	4.6
195.14009	3.0
199.13135	2.4
209.11777	100.0
210.12103	5.0
211.13461	4.4
223.13310	2.6
227.12828	19.2
235.08131	5.7
253.09262	11.8
293.18054	4.1
293.21207	59.8
294.21637	5.7
295.22736	2.2
311.22134	2.3
312.22739	1.9
327.21820	2.0
403.59927	2.0
445.20578	9.1
463.20987	3.6
471.15048	2.2
493.06863	2.0
535.51135	2.0
633.99255	2.3
652.18811	2.1
682.30713	2.4
736.39703	2.3
775.41083	33.1
776.41425	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80935	1.5
59.01244	12.6
61.98702	6.9
71.01256	13.8
71.51135	2.9
73.02865	2.5
80.04939	4.3
85.02831	6.1
87.00726	2.9
88.98696	2.0
89.02330	5.7
93.03357	3.8
94.06503	5.2
96.95889	6.6
101.02290	2.4
106.06537	2.0
107.03644	9.4
113.02312	5.7
120.08089	17.0
122.06012	76.9
123.06354	3.0
132.04462	2.4
133.02847	2.7
134.06012	10.2
135.04402	5.9
139.02611	2.2
149.04448	10.3
152.07077	100.0
152.99486	2.6
153.07393	2.5
160.03955	2.9
161.02370	10.8
171.10159	5.7
173.04515	4.0
174.05658	2.5
179.03394	8.7
191.05551	10.0
192.05942	2.5
197.11844	3.0
207.10190	3.4
209.11763	14.9
210.12103	2.1
221.10880	2.2
223.08635	9.4
224.09390	2.1
225.10036	2.8
227.12897	2.0
235.12402	3.7
237.10262	15.2
238.10973	4.5
239.11797	11.0
241.13438	4.2
243.14876	1.9
245.12747	2.5
249.06409	2.1
249.10268	2.5
251.08226	4.7
251.11922	5.3
253.09445	2.6
253.13438	7.0
263.08023	4.7
264.08984	7.9
265.09756	8.9
267.11395	4.0
271.10883	4.1
277.09756	4.1
278.10403	3.9
279.11377	25.5
280.12173	5.9
287.14191	2.0
291.11383	5.5
292.11975	5.3
295.11023	3.1
296.11429	2.0
297.12476	3.4
323.10333	4.2
324.11050	4.5
325.11850	6.1
359.16071	2.7
360.17099	2.8
372.13220	2.2
374.19098	2.2
402.18225	17.0
403.19009	3.0
404.19678	2.8
416.20023	2.9
417.20398	2.0
443.18738	3.0
444.19205	9.9
445.19687	3.9
447.17682	2.2
448.18756	7.9
449.18896	2.3
461.19821	3.3
462.20288	26.2
488.18073	6.6
489.18826	16.2
490.19348	2.5
499.39368	2.3
520.21069	15.1
521.21417	4.0
539.26343	4.4
567.26074	15.1
568.26477	3.9
569.33209	2.2
585.27216	30.3
586.27838	7.9
593.23938	2.3
611.25104	97.3
612.25385	18.6
643.27570	43.4
644.27618	10.0
644.37177	3.7
705.68420	2.2
743.29431	19.2
744.29584	6.9
775.31641	6.1
776.31622	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	775.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80935	1.5
59.01244	12.6
61.98702	6.9
71.01256	13.8
71.51135	2.9
73.02865	2.5
80.04939	4.3
85.02831	6.1
87.00726	2.9
88.98696	2.0
89.02330	5.7
93.03357	3.8
94.06503	5.2
96.95889	6.6
101.02290	2.4
106.06537	2.0
107.03644	9.4
113.02312	5.7
120.08089	17.0
122.06012	76.9
123.06354	3.0
132.04462	2.4
133.02847	2.7
134.06012	10.2
135.04402	5.9
139.02611	2.2
149.04448	10.3
152.07077	100.0
152.99486	2.6
153.07393	2.5
160.03955	2.9
161.02370	10.8
171.10159	5.7
173.04515	4.0
174.05658	2.5
179.03394	8.7
191.05551	10.0
192.05942	2.5
197.11844	3.0
207.10190	3.4
209.11763	14.9
210.12103	2.1
221.10880	2.2
223.08635	9.4
224.09390	2.1
225.10036	2.8
227.12897	2.0
235.12402	3.7
237.10262	15.2
238.10973	4.5
239.11797	11.0
241.13438	4.2
243.14876	1.9
245.12747	2.5
249.06409	2.1
249.10268	2.5
251.08226	4.7
251.11922	5.3
253.09445	2.6
253.13438	7.0
263.08023	4.7
264.08984	7.9
265.09756	8.9
267.11395	4.0
271.10883	4.1
277.09756	4.1
278.10403	3.9
279.11377	25.5
280.12173	5.9
287.14191	2.0
291.11383	5.5
292.11975	5.3
295.11023	3.1
296.11429	2.0
297.12476	3.4
323.10333	4.2
324.11050	4.5
325.11850	6.1
359.16071	2.7
360.17099	2.8
372.13220	2.2
374.19098	2.2
402.18225	17.0
403.19009	3.0
404.19678	2.8
416.20023	2.9
417.20398	2.0
443.18738	3.0
444.19205	9.9
445.19687	3.9
447.17682	2.2
448.18756	7.9
449.18896	2.3
461.19821	3.3
462.20288	26.2
488.18073	6.6
489.18826	16.2
490.19348	2.5
499.39368	2.3
520.21069	15.1
521.21417	4.0
539.26343	4.4
567.26074	15.1
568.26477	3.9
569.33209	2.2
585.27216	30.3
586.27838	7.9
593.23938	2.3
611.25104	97.3
612.25385	18.6
643.27570	43.4
644.27618	10.0
644.37177	3.7
705.68420	2.2
743.29431	19.2
744.29584	6.9
775.31641	6.1
776.31622	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	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.9
57.03309	2.0
58.00475	4.1
59.01250	100.0
67.01743	1.7
67.48980	0.9
69.49174	5.3
71.01254	74.6
72.01575	0.9
72.99181	9.5
73.02805	2.9
74.88188	0.9
83.01263	2.0
84.01995	0.9
85.02825	14.4
86.37696	0.9
86.55922	0.8
87.00746	6.8
89.02317	83.5
90.02666	1.1
93.03333	2.3
95.01257	5.0
96.95861	1.7
98.19864	1.8
101.02323	43.7
105.01814	0.9
107.24287	0.8
109.02859	1.2
111.04465	1.0
113.02331	26.4
115.03017	0.8
119.03389	38.7
123.00840	0.8
125.02280	1.1
131.03374	3.9
133.02870	1.3
135.04430	2.4
136.01527	1.4
137.02344	11.1
143.03416	8.0
149.04399	5.0
151.00241	1.1
151.03911	2.3
160.01604	1.0
161.02327	1.8
161.04468	4.7
164.01022	1.6
165.01842	58.6
166.02380	2.5
173.04445	2.9
175.61923	0.9
177.05524	1.3
179.03400	14.2
179.05505	10.6
180.04192	29.3
180.05782	1.8
181.04857	1.6
191.05522	8.7
194.05801	2.1
195.02885	1.4
195.06541	32.8
196.06900	1.3
210.05247	6.3
225.07629	38.1
226.08003	1.4
255.02950	1.2
268.07379	2.6
280.07315	1.4
282.99408	1.0
283.02420	2.9
283.09595	2.1
293.08154	1.6
296.06848	2.4
308.06818	3.5
309.07520	2.7
311.09204	3.3
322.08298	1.4
323.09351	4.6
323.12720	1.4
324.06369	2.2
324.09854	2.4
337.10788	1.0
338.11914	1.1
339.08722	19.9
340.09171	2.8
354.11057	7.0
355.11673	1.4
369.13388	40.9
370.13803	3.8
381.39392	0.9
451.10303	0.8
515.73224	0.9
517.14941	1.4
532.17328	0.9
541.64429	1.2
547.19666	15.3
548.20197	3.1
602.24567	1.0
647.75989	0.9
739.20685	1.8
775.27106	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89636	2.0
57.03333	3.1
57.98278	2.0
59.01256	20.1
59.79795	2.2
60.01556	2.2
61.98706	42.2
70.63084	5.3
70.63435	2.6
71.01255	100.0
72.01570	4.4
72.99183	3.5
73.02834	3.2
78.95773	27.6
83.04904	4.1
85.02815	3.9
87.00731	3.2
89.02296	4.4
93.35184	1.9
96.95890	7.2
97.06476	3.5
101.02338	4.7
109.06496	5.4
111.08037	7.7
112.98429	1.9
113.02325	3.3
125.09589	3.0
127.11197	4.6
135.08047	3.3
152.99478	13.6
161.02333	3.6
161.04381	2.6
163.11238	3.0
171.10176	67.1
172.10464	4.7
173.10794	2.8
179.03461	2.5
179.05522	2.4
181.12242	3.4
191.05417	3.1
195.13898	8.7
197.11754	8.2
199.09700	8.9
201.11292	20.5
202.11581	2.4
207.10213	13.3
209.11803	27.3
210.12177	4.1
211.13356	9.6
223.13350	6.6
225.11249	12.2
227.12878	5.9
235.08257	5.0
253.09256	20.1
275.20181	7.2
291.19638	33.9
292.19949	5.6
293.21231	79.3
294.21591	9.9
309.20346	5.6
310.21243	3.6
311.22122	6.7
327.21698	5.4
357.15768	2.4
445.19870	4.6
454.46436	2.5
463.21085	5.3
737.41022	3.9
755.43073	4.4
773.43121	23.9
774.42596	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	773.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03325	1.4
58.00471	0.4
59.00959	0.4
59.01251	5.5
61.98701	3.6
69.03317	1.0
71.00898	0.5
71.01253	5.0
72.99174	0.3
73.02805	1.4
75.00730	0.3
75.36279	0.2
78.95779	0.4
80.02545	1.0
81.03333	1.1
83.01269	0.9
83.04900	5.1
84.02036	0.8
85.02820	5.0
87.00740	1.4
89.02313	3.2
91.03896	0.5
93.03340	0.5
93.28582	0.3
95.01256	0.5
95.04887	0.9
96.95853	1.5
96.97005	0.2
97.02840	0.9
97.06476	1.5
99.00766	0.4
101.02314	4.2
109.06471	0.5
111.00729	0.4
111.04389	0.4
113.02319	2.8
116.92731	1.1
119.03397	0.7
123.08045	0.4
123.84372	0.3
125.02357	0.4
125.05984	0.6
125.09614	0.9
125.68892	0.2
127.11165	0.8
131.03360	0.3
133.02870	0.9
133.05020	0.3
135.04393	0.7
135.08063	0.7
137.02338	0.3
137.09618	1.7
143.03442	0.5
145.05061	0.5
149.04416	0.7
155.10713	0.9
155.14331	0.4
161.02351	1.7
161.04465	2.6
161.05753	0.5
163.11201	3.6
165.12772	3.0
166.13014	0.3
171.10179	15.3
172.10565	0.7
173.04456	0.4
177.12782	0.3
179.03467	0.6
179.05515	0.6
181.12227	0.7
183.13884	1.9
183.29958	0.3
185.11710	0.8
191.05498	1.2
191.10745	0.6
193.12309	0.7
197.11668	0.5
199.13345	0.5
201.11211	0.5
202.95891	0.3
207.10170	0.4
209.11774	100.0
210.12108	5.4
211.13329	7.6
212.13744	0.7
221.11827	1.3
222.12204	0.3
225.11250	0.4
226.11684	0.3
227.12834	13.4
228.13139	0.8
229.14394	6.2
229.16537	0.5
230.14682	0.5
235.08194	7.6
239.12820	0.9
247.20709	0.3
253.09271	17.7
254.09636	0.7
291.19678	3.0
309.20715	7.4
310.21100	0.7
327.21765	59.6
328.22064	5.1
355.21286	0.3
445.20813	1.7
463.21680	0.6
519.33429	1.0
537.34320	0.7
545.29816	1.0
563.30664	2.9
564.31293	0.5
773.30072	0.3
774.30542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93292	6.7
59.01248	18.1
61.98421	7.2
61.98706	78.4
66.41312	6.0
66.59615	6.1
71.01259	16.1
71.49339	5.5
71.49723	8.7
78.95774	57.1
80.96373	9.3
88.98668	24.2
89.02318	11.0
96.96841	11.6
101.02305	13.0
109.06463	12.7
152.99515	37.9
163.11205	18.7
167.37770	5.6
171.10184	17.5
191.05571	8.5
193.22057	6.8
195.13872	8.7
207.10149	55.8
209.11836	27.5
211.13196	10.2
225.11250	20.1
227.12854	7.5
247.99669	6.3
253.09258	33.9
275.20050	6.3
293.21225	100.0
294.21802	9.1
295.22897	29.2
327.21680	11.4
443.19516	7.1
445.19818	10.0
719.38751	9.1
737.41193	48.8
773.40674	39.6
774.40936	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	773.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	30.9
61.98698	30.4
65.79066	3.2
71.01252	10.0
71.50494	4.2
71.50912	6.2
73.02818	6.2
83.04884	4.1
83.53712	3.4
85.02817	10.9
87.00724	4.9
89.02277	10.3
93.80734	3.4
94.17212	3.1
96.95887	9.3
101.02331	8.7
112.50836	4.3
113.02316	4.1
119.04938	5.0
122.06039	18.1
125.14060	3.6
133.02834	4.5
134.06001	11.4
135.04391	10.2
136.05180	8.6
149.04445	12.8
151.07542	4.2
152.07095	27.3
161.02437	18.3
163.00891	4.1
163.03941	6.2
165.09128	7.8
171.10214	7.0
179.03421	7.1
191.05530	15.5
206.32462	3.8
207.10115	6.2
209.11768	100.0
213.10292	13.9
223.15787	4.3
227.12849	30.4
239.11855	11.0
241.13423	10.5
245.13017	3.8
253.09189	5.2
269.34311	4.3
285.12387	26.5
286.12558	4.0
293.13104	5.1
297.29681	3.8
313.12137	4.6
327.21783	13.3
356.18448	4.1
358.15625	9.1
400.16577	12.7
412.16711	5.8
445.20612	9.5
463.22183	4.2
479.33771	6.2
525.33594	4.2
565.24432	23.0
571.69958	4.1
609.23407	57.2
610.23840	8.3
637.32166	6.8
641.26044	42.3
641.38788	11.5
642.26239	12.9
656.95911	5.1
741.27710	4.8
773.30267	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	773.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	12.9
61.98705	5.7
67.56664	1.2
68.75517	1.0
69.26381	4.5
69.26804	6.2
71.01260	2.9
73.02800	1.0
74.33600	1.0
77.22430	1.2
78.95776	1.6
80.04930	7.1
87.00774	1.2
89.02298	3.3
93.03342	1.5
94.06486	3.6
96.95889	2.2
98.19835	1.7
101.02358	2.0
104.04930	2.1
106.06499	3.8
107.03642	6.0
116.92722	1.2
119.04922	2.0
120.04448	1.6
120.08072	1.0
121.05246	2.4
122.06005	43.0
122.06886	2.2
124.07536	1.3
132.04466	4.0
133.02802	1.4
134.06017	12.7
137.02267	1.4
139.02722	2.5
139.03845	2.6
148.03960	3.4
149.04465	6.4
152.07074	54.9
160.04002	2.5
160.06384	6.8
161.02342	3.5
161.04668	2.6
163.03889	2.3
164.07011	1.3
165.09084	1.1
171.10117	1.7
174.05505	4.4
179.03450	1.7
190.05000	4.0
191.05495	2.1
197.07199	2.0
209.11768	5.4
211.74911	1.2
213.10287	26.9
223.08797	1.8
224.09396	1.5
225.10333	3.4
226.11095	2.6
237.10268	2.3
239.11861	20.3
241.13425	15.1
245.12959	9.5
251.11877	2.7
265.09875	2.9
266.10623	1.0
267.11334	2.6
277.09781	2.5
278.10529	1.1
279.11484	1.3
285.12454	62.0
286.12735	4.9
293.09732	2.3
293.12976	9.3
295.10873	6.9
296.11395	1.7
313.11963	5.0
316.14545	2.5
323.10257	5.9
325.11938	3.7
326.12695	1.5
328.10928	4.0
328.14316	1.3
330.12778	1.3
332.17624	1.6
339.09909	2.0
340.14542	3.1
342.12460	3.3
342.36240	1.2
343.13181	4.9
344.13916	3.0
355.09311	1.2
355.12857	6.1
356.14059	2.4
356.17773	2.2
357.14764	4.0
358.15646	21.9
359.16055	2.9
370.11661	2.5
370.15710	2.7
372.17154	1.9
382.15973	1.7
384.13165	6.2
385.14255	1.6
396.13318	1.7
398.15005	2.2
399.15781	1.8
400.16678	20.0
401.17114	2.6
412.16733	7.5
413.17010	1.2
426.14493	1.5
444.15097	2.8
497.25662	1.9
519.24200	1.5
523.23450	5.9
524.23889	1.6
537.24792	2.0
565.24561	35.9
565.33521	2.1
565.42664	1.4
566.25043	7.4
568.23560	1.7
581.23669	2.4
591.22345	2.5
597.27319	1.7
609.23511	100.0
610.23621	17.9
641.26147	56.2
641.35699	2.3
642.26550	9.5
683.26892	1.8
741.27551	10.1
742.28986	1.9
773.30151	29.8
773.43298	2.0
774.30859	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94912	0.2
59.01241	0.7
61.98701	2.2
63.82012	0.2
66.66587	0.2
71.01255	2.9
71.04861	0.2
71.39365	0.4
74.35612	0.1
78.95777	5.9
79.95610	3.0
83.01248	0.2
85.02832	0.3
87.00757	0.2
89.02335	0.3
94.97968	0.4
96.00812	0.3
96.95893	100.0
96.96792	7.7
97.95811	0.4
98.02348	1.6
98.90562	0.2
99.00767	0.3
101.02331	0.4
109.06477	0.5
163.11209	0.2
169.12291	0.4
171.10168	3.1
181.12338	0.2
187.78275	0.2
195.13908	0.2
199.09804	0.3
201.11301	0.8
207.10204	1.0
209.11823	0.7
211.13332	0.3
225.11263	1.2
226.11800	0.2
241.19679	0.2
251.66457	0.2
253.09348	0.6
261.46640	0.2
266.72473	0.2
293.21198	1.7
311.22327	1.2
435.08279	0.3
453.09265	0.5
461.20639	0.3
488.02484	0.2
713.30853	0.4
732.22339	0.2
737.40613	0.3
773.43011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.1
61.98706	18.9
63.64967	1.4
71.01254	15.7
75.82706	1.3
78.95776	12.7
83.04909	5.5
85.02833	2.9
87.00739	3.3
89.02328	3.2
94.97980	3.2
97.02829	2.7
98.01355	1.4
101.02319	4.0
101.08818	1.3
109.06479	6.5
110.69007	1.4
111.08049	1.8
112.05418	1.3
113.02337	2.2
119.03416	1.4
125.09579	2.5
137.09587	1.6
152.99477	4.9
161.04462	2.2
163.11177	4.3
165.12801	2.1
167.10643	1.5
169.12294	2.2
171.10197	14.4
179.03537	1.7
179.10677	2.0
181.12256	2.9
185.11743	1.8
191.05481	1.6
195.13881	6.7
197.11700	2.9
201.11224	4.9
207.10179	12.5
209.11765	100.0
210.12080	6.8
211.13338	5.6
223.13358	4.6
225.11314	9.1
227.12878	10.0
229.14326	1.6
229.27846	2.5
235.08185	3.4
253.09254	20.7
254.09671	2.0
275.20108	3.9
291.19632	5.1
293.21231	63.8
294.21494	6.2
307.19339	1.8
309.20563	6.9
311.22363	2.5
325.23645	2.9
327.21677	11.3
341.23288	1.8
365.74023	1.5
445.20517	3.3
447.21130	1.7
461.19946	3.3
463.20724	1.6
481.22336	1.4
518.36371	1.5
753.39447	1.7
771.40967	13.2
772.41504	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	772.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60057	0.3
55.73670	0.3
55.99736	0.3
59.01236	1.5
61.98701	100.0
69.18400	3.3
71.01254	0.8
71.87936	0.3
72.68407	0.3
73.02807	2.1
73.93778	0.3
75.00735	0.5
78.95775	2.2
96.95894	0.4
98.20601	0.7
99.00748	0.4
99.92456	5.2
100.92446	1.5
116.92742	55.9
116.97161	0.9
117.01818	4.4
117.92750	19.9
118.01331	0.4
118.02151	0.4
118.92543	2.3
118.93307	0.6
118.96854	0.7
119.03397	1.0
137.01862	0.3
152.99486	1.1
171.10179	0.6
206.24065	0.3
209.11723	0.4
293.21356	0.5
430.21173	0.4
609.39899	0.3
772.42322	0.5
773.42871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03314	1.7
58.00464	0.9
59.01248	10.1
59.89368	0.4
61.98700	19.9
69.03316	2.0
70.32613	1.7
71.01247	7.4
71.04878	1.6
72.99164	0.7
73.02810	1.7
78.91697	0.5
80.02544	1.8
81.03331	2.2
83.01229	0.9
83.02386	0.6
83.04893	6.7
84.02029	1.5
85.02821	5.0
87.00735	1.3
89.02319	3.5
90.60956	0.5
91.05379	0.6
93.03325	1.3
94.71892	0.4
95.01267	0.8
95.04896	2.0
96.95892	1.6
97.02832	3.2
97.06457	3.2
99.00751	0.7
99.04436	0.5
101.02321	4.6
103.37457	0.4
107.04900	1.3
109.06472	17.0
110.03599	0.7
110.06750	0.5
111.00739	0.7
111.04416	0.6
111.08029	0.7
113.02337	3.5
113.05049	0.4
114.93243	0.5
119.03397	1.3
121.02808	0.4
121.06480	0.6
122.06005	0.4
123.04390	0.6
123.08082	0.6
125.02320	0.5
125.05933	0.8
125.09595	1.4
127.07577	1.1
127.11156	0.7
135.08040	2.0
136.05103	0.5
137.09619	0.8
142.02559	0.7
145.04930	1.3
149.04440	0.8
151.11140	0.5
153.09059	1.2
153.12801	0.5
155.10638	0.7
161.02324	1.1
161.04453	2.4
161.09619	0.8
163.11200	9.1
165.12755	3.0
169.12259	1.8
171.10176	13.2
177.12770	0.7
179.03468	0.7
179.05464	1.1
179.10600	0.6
181.12315	2.9
183.13831	1.2
185.11719	0.7
189.09186	0.6
191.05530	1.1
191.10695	1.7
193.12198	1.2
197.11751	13.1
198.12074	0.8
199.13301	1.4
201.11212	1.5
207.10199	28.6
208.10518	1.7
209.11763	100.0
210.12115	7.6
211.13338	12.3
212.13623	1.0
221.11794	1.0
224.55740	0.4
225.11264	12.7
226.11629	1.2
227.12827	15.2
228.13182	0.9
229.14400	3.5
235.08185	6.5
235.13336	1.6
237.14931	1.9
239.12762	0.7
243.12640	0.4
245.19131	0.6
249.14868	0.7
251.16570	0.7
253.09258	20.8
253.11937	1.0
254.09787	1.0
289.18091	4.2
291.19528	2.1
307.19077	5.5
309.20703	4.8
313.17950	0.6
325.20178	32.4
326.20612	2.7
327.21738	30.2
328.22104	3.0
420.62802	0.5
443.19308	1.0
445.20819	1.4
461.20111	3.4
517.31592	1.1
543.28314	0.8
545.29492	0.5
561.29358	1.7
563.30658	1.2
577.77216	0.6
725.41553	0.5
753.41052	2.5
753.53180	0.5
754.41010	0.6
771.28870	0.5
771.41681	13.3
772.41840	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	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.0
58.00471	3.0
59.01254	28.9
60.01617	0.9
61.98705	2.2
69.03326	4.0
70.55964	2.4
71.01255	61.8
71.04896	1.0
72.99178	2.3
73.02823	9.8
78.95769	1.2
80.02560	1.9
81.03345	2.8
83.01254	1.8
83.04904	7.2
84.02067	1.2
85.02824	8.8
87.00751	7.3
89.02325	7.7
93.03347	1.1
95.01279	3.3
95.04910	3.7
97.02833	10.5
97.06468	3.1
99.00753	3.6
99.04439	1.5
101.02319	11.2
106.04144	1.4
107.04881	1.5
109.02876	1.3
109.06490	12.3
110.03628	2.4
111.00781	1.3
111.04409	2.0
111.08043	4.1
113.02325	6.6
119.03392	2.4
119.08569	1.0
121.06496	1.5
123.04449	1.5
123.08064	1.8
125.02296	1.1
125.09618	7.7
127.11172	5.8
133.02849	1.4
135.04462	1.2
135.08063	2.5
137.02299	0.9
137.09628	3.8
139.07561	1.8
139.11259	1.0
141.01782	0.8
142.02672	1.3
143.03400	2.8
145.04942	1.1
149.09636	1.5
151.11234	2.5
153.09113	2.1
153.12823	1.1
155.10698	3.5
161.02341	2.1
161.04482	2.9
161.09654	1.7
163.11215	16.6
165.09161	2.2
165.12794	7.0
167.10649	1.5
169.12245	3.7
171.10187	100.0
172.10547	4.8
179.03410	1.4
179.05531	1.4
179.10721	3.2
181.12260	7.5
183.10190	1.7
185.11772	6.0
189.09137	2.4
191.05527	1.5
191.10805	1.8
191.14346	1.4
193.12283	1.6
197.11760	18.1
198.12061	0.9
199.09567	1.0
199.13373	2.2
201.11272	51.4
202.11618	2.4
207.10220	38.2
208.10538	2.8
209.11780	58.4
210.12134	3.7
211.13345	9.6
212.13702	0.9
213.11273	1.3
215.12842	4.7
223.09662	1.4
223.13322	1.2
225.11278	68.8
226.11714	4.4
227.12831	8.7
235.08171	9.3
243.12248	5.1
245.19109	2.1
247.20660	3.2
253.09279	31.0
254.09596	1.9
263.20337	2.0
271.12088	0.8
273.18628	2.3
289.18079	5.3
291.19678	39.9
292.19943	4.2
293.21304	6.4
295.10284	2.7
307.19226	4.9
309.20715	71.5
310.21085	6.2
323.18164	1.0
327.21719	3.0
333.20563	1.2
341.23270	1.4
405.17685	1.5
407.19064	1.6
436.78018	0.8
443.19336	3.1
451.22110	0.8
461.20407	14.1
462.20712	1.5
479.21664	1.9
493.31845	1.2
504.83057	1.0
753.40582	7.6
754.40790	1.8
771.41565	9.0
772.41455	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	771.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03320	4.0
58.00456	1.9
59.01252	32.9
60.63631	0.9
61.98704	11.6
62.05881	0.9
67.01762	1.2
69.03325	3.2
71.01253	46.6
71.04880	1.0
71.49215	2.0
72.99184	0.9
73.02822	7.3
75.00726	2.8
78.95788	2.1
80.02552	3.0
81.03318	2.6
83.01236	2.9
83.04879	6.9
84.02010	2.1
85.02821	8.6
87.00753	6.7
89.02338	8.0
91.03933	1.1
93.03332	2.3
95.01305	2.2
95.04887	4.7
96.95890	1.6
97.02830	9.2
97.06456	3.5
99.00738	2.9
101.02325	10.5
109.02803	1.2
109.06483	10.9
110.03610	1.8
111.00806	2.2
111.04390	2.0
111.08047	4.6
113.02345	7.7
119.03347	1.4
123.04404	2.4
123.08067	1.9
125.05980	1.7
125.09606	8.1
127.07565	1.6
127.11176	5.1
135.04407	1.7
135.08009	3.5
137.09604	2.5
139.07527	2.1
143.03403	2.7
145.04924	2.0
149.09619	2.2
151.11195	1.7
152.99474	1.5
153.09061	2.5
153.12781	1.6
155.10661	3.0
161.04486	6.7
161.09602	1.8
163.11171	16.3
165.09096	2.0
165.12776	8.8
167.10651	2.1
169.12215	3.7
171.10182	100.0
172.10481	4.5
179.03427	1.1
179.05515	3.3
179.10722	3.9
181.12289	6.6
183.10141	2.4
183.13832	2.4
185.11801	7.8
189.09184	3.0
191.10693	1.0
191.14285	2.2
193.15878	1.3
195.13986	1.4
197.11772	23.0
199.09770	1.6
199.13351	2.4
201.11263	45.2
202.11639	1.9
207.10210	37.4
208.10498	3.4
209.11774	76.9
210.12076	4.2
211.13301	9.0
215.12785	7.1
223.09708	1.4
223.13423	1.8
225.11273	69.8
226.11636	3.7
227.12836	13.0
235.08200	11.0
243.12302	4.7
245.18987	3.1
246.19589	1.6
247.20653	4.5
253.09277	36.6
254.09541	1.9
263.20157	2.6
273.18573	3.4
289.18152	12.3
291.19666	54.7
292.20026	5.7
293.21194	7.6
295.10272	1.7
307.19092	8.3
308.19461	1.9
309.20706	98.3
310.21045	9.2
327.21707	3.5
341.23209	2.9
407.19284	1.8
443.19040	3.1
451.22223	1.5
461.20264	13.1
479.21298	1.3
493.31812	1.5
545.29639	1.8
717.39142	1.9
753.40411	6.6
754.40741	2.2
771.41644	14.9
772.41779	3.9
787.87799	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	771.311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28079	0.2
58.92035	0.2
59.01261	1.5
61.98704	8.4
63.07211	0.2
67.93911	0.2
71.01256	1.4
73.02818	3.3
73.62109	0.2
75.00745	0.6
75.78389	0.2
78.95776	2.3
80.19299	0.2
81.46449	0.2
87.00754	0.5
87.32858	0.2
89.02306	0.2
95.92979	0.2
96.44807	0.3
96.95889	2.1
98.20599	0.4
99.00752	0.7
99.92457	10.0
100.92505	0.3
105.30132	0.2
112.52219	0.2
114.93292	0.6
116.92746	100.0
116.97148	0.9
117.01826	8.1
117.05463	0.5
117.92752	5.3
152.99506	0.9
153.09254	0.2
171.10219	0.7
178.20679	0.2
197.11813	0.6
207.10149	0.4
209.11745	0.5
225.11319	0.3
225.14833	0.2
291.19705	0.4
293.21408	0.4
309.20862	0.3
397.13339	0.3
500.71921	0.2
535.24847	0.2
565.10657	0.2
771.43762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
61.98701	100.0
62.71156	0.1
62.98401	0.2
71.01266	0.7
73.02785	0.1
80.02509	0.1
83.04905	0.2
85.02825	0.3
87.00761	0.2
89.02315	0.2
95.04922	0.2
95.39886	0.1
96.95891	0.2
97.02836	0.1
97.06504	0.1
99.69164	0.1
101.02338	0.3
109.06469	0.6
113.02363	0.2
119.03352	0.2
133.02878	0.3
135.04460	0.4
135.08054	0.2
140.63196	0.1
153.93521	0.1
161.02394	0.4
163.11214	0.4
169.12283	0.1
171.10167	0.9
179.03433	0.4
181.12340	0.1
191.05621	0.3
197.11743	0.7
201.11255	0.2
207.10159	0.7
209.11780	4.7
210.12157	0.2
211.13371	0.6
225.11397	0.6
227.12892	0.7
235.08299	0.3
253.09227	0.7
289.18167	0.2
291.19849	0.3
305.17786	0.2
307.18994	0.1
309.20474	0.2
325.20215	1.4
327.21942	0.3
453.01678	0.1
461.20218	0.1
497.18991	0.1
602.07776	0.1
725.39496	0.1
770.41528	0.1
771.42273	0.2
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
54.73875	1.5
59.01243	9.7
65.00179	3.8
71.01254	3.1
73.67148	1.8
85.02827	4.2
87.00735	3.6
89.02293	4.9
93.03335	2.5
95.01274	2.9
107.01247	3.9
109.02814	3.5
110.00014	10.2
111.00748	5.9
113.02354	2.3
119.04901	14.7
123.00760	4.8
124.01532	3.3
124.32355	1.7
133.02905	3.8
134.03612	2.7
135.00839	2.4
135.04437	2.3
139.00311	12.0
139.01328	2.5
149.02324	2.0
149.04486	15.0
151.00269	15.1
152.01030	6.0
154.96715	1.7
161.02365	6.9
163.00272	3.9
163.03850	14.6
164.00984	3.8
165.98978	14.3
166.99748	3.9
169.66786	1.9
173.07137	1.8
175.03749	1.8
176.01056	1.9
178.99789	17.7
179.03246	2.2
191.05544	13.8
198.03096	2.2
199.03862	4.8
200.04533	2.2
201.01900	2.5
203.03368	4.1
204.03961	1.7
206.99199	2.6
214.02606	3.1
215.03328	5.5
216.04219	1.7
218.02214	1.9
227.03383	7.0
231.02921	4.7
241.01486	2.1
242.02174	6.5
243.02899	12.5
244.03659	4.2
245.41833	1.7
255.02971	8.9
259.02374	6.4
270.01675	10.1
271.02460	61.7
272.03070	7.1
287.02029	22.0
288.02634	12.5
295.08347	2.5
298.01031	2.5
299.01962	60.8
300.02499	8.6
301.03525	5.2
315.01514	8.4
316.02225	92.3
317.02966	14.6
325.09256	2.3
337.09357	2.5
373.32932	1.8
609.14752	2.0
727.21545	3.6
753.18951	5.9
771.19849	100.0
772.20227	20.0
774.49829	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	771.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03323	0.5
57.76255	0.5
59.01252	100.0
60.01592	1.9
71.01254	11.4
71.07101	0.9
72.99207	1.0
73.02818	6.6
75.45587	0.5
83.01280	1.4
85.02837	5.0
87.00791	0.6
89.02323	4.4
95.01283	0.9
97.02807	0.5
99.00760	3.1
101.02329	9.9
104.39112	0.4
110.60561	0.4
113.02332	5.3
119.03431	0.7
131.03366	0.7
135.04393	0.7
149.04454	3.1
151.00247	0.7
159.02943	0.7
161.02425	0.9
161.04469	8.0
187.07571	0.4
191.05579	1.6
207.24184	0.5
220.23470	0.5
227.03426	0.6
255.03076	0.7
269.10303	28.6
270.10632	2.2
271.02338	1.1
280.47620	0.6
283.02536	1.0
299.02005	1.2
300.02893	1.3
301.03662	0.8
311.11346	12.1
312.11551	1.0
316.02786	0.5
359.80429	0.5
382.78171	0.4
415.15997	3.1
771.20044	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	769.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01249	19.1
61.98696	4.2
70.47895	1.7
71.01254	4.7
72.99178	0.6
73.02831	0.8
78.95749	1.2
81.03318	1.6
83.01241	0.7
83.04903	4.3
84.02037	0.8
85.02822	0.9
85.74345	0.6
87.00741	0.9
89.02307	2.5
93.03304	0.8
95.04890	1.3
97.06432	1.0
99.92447	0.5
101.02318	3.0
103.36106	0.6
109.06462	1.0
111.08048	4.2
111.74429	0.6
113.02309	2.1
116.92733	7.0
117.01788	1.0
119.03346	0.8
125.09619	1.1
135.04491	0.7
135.08038	0.9
137.09595	1.0
149.09502	0.6
161.02382	0.8
161.04440	1.0
163.11220	4.3
165.12766	2.7
167.10617	0.9
171.10191	4.2
177.12714	1.3
179.05431	0.6
179.10663	1.3
191.10719	1.4
195.13831	2.6
197.11754	2.2
202.18166	0.6
207.10265	1.1
209.11761	100.0
210.12094	6.1
221.11743	0.9
223.09822	0.7
223.13257	0.7
225.11209	2.3
227.12823	13.6
228.13229	0.7
235.08183	2.5
247.20625	1.7
253.09253	9.6
291.19650	56.9
292.20032	5.1
293.21201	1.2
305.17334	0.8
309.20721	1.2
323.22229	8.2
340.34747	0.7
445.20627	1.8
527.28687	4.2
528.28833	1.3
649.59680	0.7
769.40802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.1
58.00443	1.0
59.00957	1.2
59.01247	15.7
61.98703	9.9
65.11084	0.6
69.03326	4.9
71.01251	13.4
71.04897	1.5
71.50286	1.0
72.99156	1.5
73.02810	2.5
80.02547	0.7
81.03332	1.2
83.01261	1.9
83.04890	2.5
85.02814	8.5
87.00747	2.1
89.02312	5.6
93.03348	0.7
95.01248	1.8
95.04907	2.2
96.95860	3.2
97.02838	2.0
97.06470	4.5
99.00748	1.5
101.02326	8.7
109.02873	0.7
109.06482	2.3
111.04424	0.7
111.08015	1.2
113.02342	5.1
119.03401	2.1
123.04353	0.9
123.08076	1.3
125.02352	0.9
125.09607	2.6
127.11169	1.9
133.02832	2.7
133.04973	1.3
135.04433	3.6
135.08052	1.0
137.09625	2.0
143.03413	1.0
145.04993	1.7
151.11205	1.4
153.09103	0.7
155.10686	1.6
155.14380	0.7
161.02333	5.8
161.04407	3.7
161.09596	1.0
163.11169	2.1
165.12732	1.8
167.10689	4.7
167.14343	0.7
169.12209	1.7
171.10181	26.3
172.10526	1.1
173.04541	0.7
177.12740	1.9
179.03398	3.5
179.05423	0.8
179.10666	2.7
179.14302	3.8
181.12256	1.4
183.13814	3.5
185.11766	1.8
185.54918	0.6
191.05534	1.8
193.12230	1.8
195.13852	11.0
196.14185	0.8
197.11728	9.6
199.13342	0.7
201.11227	3.0
205.08681	0.7
205.12273	10.0
206.12608	1.0
207.10172	3.5
209.11754	23.2
210.12137	1.6
211.13341	18.2
212.13635	1.2
219.78885	0.6
221.11751	3.5
223.09721	3.0
223.13344	100.0
224.13690	5.6
225.11234	4.9
227.12814	2.9
229.14404	10.0
235.08209	16.8
237.14977	0.7
239.12788	1.8
245.18788	0.9
247.13359	1.9
247.20596	0.8
253.09268	30.5
254.09676	1.3
265.14532	1.0
287.16516	1.4
289.18149	4.8
291.19672	7.4
305.17685	3.0
307.19138	2.8
309.20697	14.7
310.20984	1.6
325.20227	1.0
327.21753	93.3
328.22110	7.4
353.42426	0.7
459.22455	13.9
460.22562	1.8
533.34882	2.1
545.29657	2.0
563.30688	4.8
751.38995	1.5
769.40247	14.3
770.41498	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03325	1.2
58.00480	0.7
59.01248	13.6
61.98694	4.8
69.03328	4.5
71.01252	7.0
71.04883	1.8
72.99173	0.7
73.02792	1.4
74.80788	0.5
78.84148	0.5
78.95759	1.6
80.02550	0.7
81.03332	0.6
83.01250	0.7
83.04892	1.6
84.04428	0.6
85.02809	2.4
87.00766	1.2
89.02314	3.2
90.36097	0.5
95.04935	0.7
97.02826	1.4
97.06465	1.6
99.00751	0.6
99.41019	0.5
101.02316	4.2
109.06480	1.4
111.08044	5.2
113.02326	2.2
123.08031	1.7
125.09621	3.7
133.02806	1.2
135.04390	1.3
135.08046	1.1
137.09596	0.7
146.57541	0.6
149.16042	0.6
151.11212	3.1
153.12738	2.4
155.10687	0.7
161.02380	2.2
161.04451	1.1
161.09633	3.5
163.11218	1.0
165.12715	0.7
169.12267	2.8
171.10164	5.4
176.29674	0.6
177.09039	0.6
179.03343	1.3
179.10698	7.6
181.12233	1.7
183.13947	0.6
185.11823	0.6
191.05511	0.7
193.12392	0.7
197.11757	80.7
198.12076	4.5
199.13327	1.0
201.11307	0.8
205.08691	0.8
207.10176	2.6
209.11758	11.2
210.12114	1.1
211.13316	3.3
213.11201	0.7
223.09705	2.2
223.13513	0.6
225.11247	2.9
227.12796	1.8
231.10052	0.6
235.08211	1.2
241.10818	2.8
253.09219	4.6
263.20187	2.0
289.18130	1.8
291.19629	4.2
305.17422	0.5
307.19095	1.4
309.20746	7.0
310.21185	0.7
323.22424	0.9
325.20007	0.8
341.23325	0.9
415.26566	0.5
459.18542	1.5
461.20679	0.7
477.19720	2.1
671.33325	0.7
751.39099	0.8
769.40137	100.0
770.40503	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	769.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01253	14.4
60.77759	0.7
61.98698	7.6
69.03327	4.7
71.01254	9.5
71.04900	2.8
71.50165	1.1
72.99196	0.6
73.02831	2.2
75.00757	0.7
78.95775	1.3
79.38239	0.7
81.03342	0.9
83.01241	1.6
83.04916	1.6
85.02808	2.3
85.88647	0.7
87.00774	1.7
89.02332	3.4
93.03333	0.7
94.76119	0.8
95.01248	0.7
97.02847	1.1
97.06497	1.6
101.02328	5.1
109.02866	1.0
109.06483	2.1
110.23281	0.6
111.08040	3.3
113.02351	3.4
116.92719	0.9
123.08061	2.0
125.09632	3.8
133.02849	1.1
135.04382	2.1
135.08006	0.7
137.09576	1.4
141.09174	0.8
143.04738	0.7
149.09601	1.0
151.11165	3.3
153.12746	2.0
161.02319	3.3
161.04486	1.5
161.09650	2.7
163.11211	2.3
169.12254	2.7
171.10196	7.2
172.73506	0.9
173.04451	1.2
179.03447	1.7
179.10710	7.9
181.12302	1.3
185.11780	1.0
191.05411	1.3
195.13921	1.4
197.11772	97.0
198.12090	4.5
199.13390	1.0
201.11229	1.2
207.10252	3.8
209.11781	12.5
210.12187	1.0
211.13397	2.5
221.11751	0.8
223.09715	3.2
223.13295	0.8
225.11272	6.4
227.12874	2.5
235.08258	1.9
241.10883	4.1
247.13350	1.0
253.09262	6.1
263.20270	1.1
271.90201	0.8
289.18118	3.7
291.19772	3.3
305.17657	1.8
307.19086	1.3
309.20724	5.3
327.21832	1.0
340.02899	0.7
341.23547	0.8
418.69144	0.8
459.18903	2.0
477.19885	2.8
607.34064	0.7
751.40149	1.8
769.40192	100.0
770.40509	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	769.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74294	1.4
55.01759	2.2
57.03321	7.0
59.01250	92.6
59.41905	1.5
61.98700	10.8
62.35986	1.6
64.51308	1.6
65.23923	1.5
65.77917	1.6
68.99695	11.3
69.03329	7.2
71.01254	41.9
72.99178	7.0
73.02821	5.2
77.11176	1.5
78.95786	4.0
81.03336	4.3
83.01260	4.5
83.04898	6.5
84.02065	1.5
85.02824	5.7
87.00754	6.3
88.98670	1.8
89.02319	9.3
93.03370	2.0
95.01308	3.4
95.04900	3.8
97.02823	12.3
97.06464	6.0
101.02327	10.9
108.02084	2.1
109.02837	2.4
109.06472	5.4
110.03591	5.5
111.00755	3.6
111.04414	22.9
111.08047	4.8
111.13840	1.5
112.04730	2.2
113.02335	6.1
119.03431	2.2
123.00836	1.9
123.04412	4.1
123.08060	3.8
125.02355	3.2
125.05967	3.0
125.09623	10.2
135.04425	1.8
137.09618	5.1
149.09628	1.6
151.11188	8.2
153.09128	4.3
155.10695	2.9
161.04442	4.2
161.09637	12.3
163.11284	7.4
165.08995	2.3
165.11574	1.6
165.12740	9.9
169.12227	1.9
171.10182	94.3
172.10495	4.6
177.09135	4.2
179.10695	16.3
181.12320	4.7
183.10165	3.8
185.11769	6.4
187.07574	1.4
187.09615	2.1
191.05367	1.7
191.14313	2.3
193.12337	2.6
195.10249	2.3
197.11754	19.7
198.12184	1.9
199.09659	3.0
199.13298	2.0
201.11264	3.8
205.08638	24.4
207.10144	8.6
209.11757	29.8
211.13310	3.1
213.09450	1.6
213.11230	9.7
221.11763	2.5
223.09698	79.3
223.13194	3.8
224.10013	5.5
224.36964	1.8
225.11227	9.9
227.12889	11.1
235.08119	10.3
241.10747	5.3
243.12323	2.2
247.20590	3.3
253.09259	29.0
254.09743	2.2
263.19836	1.9
271.25644	1.8
273.18652	2.9
279.12527	1.6
289.18195	5.2
291.19666	50.9
292.20071	6.2
293.21078	2.2
304.78659	1.6
307.19116	4.7
309.20697	100.0
310.21051	6.3
407.19299	3.8
441.17633	3.8
459.18555	14.0
527.28516	2.9
535.05975	1.8
545.29706	2.8
733.37402	2.1
751.39032	22.7
752.39453	3.5
769.40106	38.7
770.40540	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	768.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.2
61.98703	100.0
62.98409	0.3
69.24335	0.4
69.24745	0.8
71.01249	0.3
80.96378	0.2
85.02847	0.1
103.06191	0.1
110.75690	0.1
112.63680	0.1
113.02340	0.1
140.75604	0.1
161.02364	0.2
179.03447	0.2
191.05554	0.2
211.13474	0.1
310.21289	0.2
310.99963	0.1
437.31653	0.1
476.32361	0.1
605.43213	0.2
749.64600	0.1
768.19641	0.2
768.33521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2196
Annotation	Rhamnetin 3-O-rhamninoside
Peak:m/z	Relative Intensity
59.01249	1.5
60.99172	1.0
63.23196	0.4
65.00185	0.6
69.49020	3.1
71.01237	0.7
72.99169	0.5
88.98693	3.5
89.02298	0.6
93.03367	0.6
97.02808	0.6
98.20537	0.9
109.02835	0.6
121.02850	1.7
133.02818	1.0
147.00810	0.5
149.02296	0.7
151.00285	0.8
161.02402	1.0
163.03864	0.7
165.01825	6.3
175.03856	0.7
179.03419	0.4
191.05550	0.9
193.01338	2.6
199.03935	2.7
203.03401	0.8
215.03406	1.7
223.03786	0.4
226.02507	0.5
227.03461	3.5
242.02200	0.6
243.03020	3.7
254.02202	0.9
255.02972	1.4
257.04587	0.8
269.04562	1.8
270.01675	1.2
271.02463	61.6
272.02856	4.3
285.04041	3.4
287.05466	0.5
299.01953	100.0
300.02356	8.8
313.03482	1.4
314.04309	90.1
315.04831	12.3
316.05646	0.6
503.12216	0.9
589.70068	0.5
623.15546	0.5
677.49554	0.7
769.21948	73.4
770.22351	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	767.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45492	1.0
55.01742	1.1
55.65459	1.0
57.03323	2.6
59.01257	9.7
61.98705	14.5
64.99544	1.0
69.03326	6.1
71.01255	11.1
71.04874	2.6
72.99165	1.4
73.02811	2.6
73.33482	1.0
75.00726	1.0
78.36975	1.2
78.95760	1.5
81.03325	2.3
83.01264	1.8
83.04905	2.9
85.02818	3.7
87.00735	2.1
89.02322	4.4
93.03331	1.2
95.01255	1.2
95.04881	1.5
96.95887	1.4
97.02814	3.6
97.06458	3.9
99.00753	1.4
99.04401	1.5
101.02309	6.0
103.62566	1.0
107.04926	1.3
109.06464	2.4
110.93172	1.1
111.04399	1.9
111.08035	1.6
113.02330	4.5
119.03332	1.5
119.59942	1.1
121.06485	1.3
121.84543	1.0
123.04339	1.3
123.08048	3.3
125.09590	6.5
128.67603	1.0
133.02829	3.3
135.04436	2.7
137.09586	2.1
145.04988	1.4
149.09590	2.0
151.11174	4.8
161.02356	5.0
161.09599	4.8
163.11176	3.6
167.10637	1.6
171.10123	1.6
173.04535	1.2
177.12627	1.3
179.03369	2.8
179.10693	10.1
185.11752	4.7
191.05586	3.2
191.14397	1.8
195.21611	1.1
197.11765	79.9
198.12109	3.5
202.58287	1.0
207.10257	5.6
209.11769	13.8
210.12166	1.3
211.13403	3.4
221.11829	6.7
223.09665	2.9
223.13411	6.5
225.11342	6.0
227.12851	1.6
235.08119	2.2
237.11339	1.6
239.12781	2.9
241.10739	3.6
245.19070	6.0
253.09178	7.0
267.06699	1.1
285.65027	1.2
289.18127	9.4
290.18475	1.4
291.19791	2.0
307.19135	4.6
309.20743	3.8
325.20120	3.1
445.03864	1.2
454.41937	1.2
462.44116	1.1
477.19775	2.3
493.19455	1.2
553.51447	1.3
574.87915	1.2
669.31744	6.5
749.37415	1.2
767.38629	100.0
768.38971	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	768.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
61.98702	100.0
62.98412	0.3
63.99126	0.8
69.03357	0.1
71.01251	0.8
71.30384	0.1
78.95760	0.2
80.96445	0.1
85.02857	0.2
87.00780	0.2
88.98676	0.2
89.02335	0.4
90.49378	0.1
96.95892	0.9
97.02866	0.1
101.02331	0.3
113.02368	0.3
119.03290	0.1
133.02849	0.6
134.03641	0.2
135.04433	1.0
136.04822	0.1
137.02377	0.1
151.04041	0.1
161.02348	1.6
161.04401	0.1
162.02690	0.1
163.11166	0.1
171.10185	0.2
173.06042	0.1
179.03407	1.5
180.03860	0.1
184.88446	0.1
191.05565	0.3
201.03786	0.1
201.05630	0.3
202.06274	0.2
207.10286	0.3
209.11761	0.9
211.13388	0.3
213.27296	0.1
225.11380	0.3
253.09421	0.1
289.18201	0.3
290.18491	0.2
307.19266	0.3
308.19632	0.2
309.19730	0.1
397.13931	0.1
398.13950	0.1
407.15457	0.1
417.15332	0.1
487.15002	0.2
751.11615	0.1
769.32776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.0
60.99177	16.9
61.98703	5.9
63.34994	0.6
69.16956	4.9
69.17375	1.3
71.01258	1.3
75.86284	0.5
87.00748	2.9
88.00271	2.8
88.98678	100.0
89.02320	16.3
89.99009	1.0
101.02304	0.8
109.06443	0.6
135.04416	0.6
161.02328	0.7
171.10170	1.0
191.05482	1.3
207.10281	0.9
209.11823	1.2
221.25998	0.7
225.11331	0.8
239.12878	1.4
253.09355	0.6
266.96561	0.7
323.22330	0.9
397.13721	1.3
767.39789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.0
61.98701	100.0
69.03347	0.3
69.24493	2.9
71.01257	3.6
72.99158	0.4
73.02827	0.7
78.95753	0.3
79.95622	0.4
80.96391	1.2
84.40228	0.3
85.02847	0.9
86.18092	0.3
87.00772	0.6
89.02313	2.9
93.03333	0.4
95.01286	0.4
96.95882	1.8
97.02847	0.3
97.78452	0.2
99.00739	0.3
101.02322	2.4
109.02872	0.3
111.08020	0.9
113.02343	1.2
119.03387	1.5
121.02854	0.9
123.04417	0.3
125.02402	0.4
133.02873	0.8
134.03697	0.5
135.04414	1.0
136.01517	0.5
137.02351	0.5
149.02356	3.3
149.04446	0.9
151.03897	0.8
157.03029	0.4
161.02315	1.6
161.04472	0.4
169.12292	0.4
171.10199	0.6
172.05139	0.4
173.04446	0.4
173.05898	0.3
179.03436	0.8
179.05566	0.9
187.04089	0.5
191.05502	1.4
197.11771	5.4
199.13402	0.4
202.06375	0.9
207.10210	0.3
209.11830	1.2
211.13399	0.5
225.00795	0.5
225.11096	0.3
227.12938	0.4
229.08653	0.9
235.08182	0.4
257.08163	0.3
275.09528	0.6
283.02509	0.3
291.19730	0.6
309.20691	9.2
310.21060	0.6
325.80630	0.3
334.98517	0.3
397.13470	2.7
409.15268	0.4
415.14517	2.5
456.00153	0.3
490.16183	0.6
507.16589	1.5
635.26984	0.4
669.22754	0.6
707.34680	0.5
767.19574	0.5
767.31897	2.3
768.31677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64398	1.9
59.01257	3.9
69.78712	2.8
69.79131	6.9
71.01257	2.5
76.15636	1.8
85.02821	2.4
89.02338	3.8
108.04443	4.1
109.44798	1.8
121.05236	3.2
122.06001	7.7
124.07571	2.7
134.06004	11.1
135.06789	2.0
136.07591	6.1
138.05516	2.7
140.07098	14.7
146.06039	15.1
147.06836	2.4
149.04605	5.5
150.05536	2.5
152.07089	2.3
159.17963	1.9
161.02293	2.5
162.05533	8.9
164.03433	4.3
164.07069	7.1
166.05043	3.7
173.04543	2.4
179.05692	2.9
196.07652	4.4
212.10715	3.3
213.10353	2.6
214.10757	1.8
225.10350	2.9
226.07423	6.1
226.12346	28.2
227.08199	32.2
227.11838	6.5
228.08678	2.2
239.08240	4.8
240.09035	13.9
241.07344	3.0
241.09795	52.3
242.10492	13.0
243.11342	5.2
253.09839	3.9
254.10532	6.0
255.11369	27.7
261.12479	2.7
267.11432	4.3
269.10034	4.0
269.12943	78.7
270.10406	2.2
270.13315	9.9
271.10855	3.5
271.14444	6.0
273.12466	6.2
284.11588	3.4
285.12430	6.3
295.10925	3.2
301.11920	7.5
303.13501	18.7
313.11942	24.3
314.12668	14.6
315.13437	5.8
380.16293	4.5
381.16846	2.6
394.17639	3.5
408.15649	4.5
422.17120	2.6
445.16211	7.0
446.16904	6.0
453.18796	8.3
454.19559	2.6
562.20178	2.0
575.25165	23.3
576.25946	2.8
617.26147	100.0
618.26465	22.3
635.27087	35.8
636.27545	7.1
670.13013	1.8
700.01984	2.4
707.29340	6.6
749.30316	16.4
750.30878	4.6
767.18036	3.3
767.31488	48.0
768.31677	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	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.4
59.01250	0.9
60.75798	0.3
63.96104	1.6
69.03330	0.8
71.01250	9.5
71.06390	0.8
71.06728	0.4
72.99171	0.5
73.02813	1.4
78.98463	6.5
78.98897	0.7
79.95609	14.6
80.96388	77.7
81.03335	0.9
82.95971	0.7
83.01257	0.4
87.00760	2.9
92.81008	0.3
94.97962	17.8
96.95897	1.6
97.02840	2.0
99.00742	0.3
101.02323	3.0
106.97958	3.2
112.61051	0.4
113.02342	0.5
122.97461	4.1
125.02335	3.3
126.02666	0.3
127.03907	1.0
134.97481	6.1
136.99046	1.8
143.03375	0.5
148.99042	6.2
152.98528	6.4
164.98550	13.6
165.12914	0.4
167.00082	0.6
179.00163	0.5
206.99577	3.5
209.11812	1.8
225.00702	23.7
226.00978	1.2
255.23254	1.6
277.61902	0.4
283.05017	0.6
335.81732	0.4
509.17056	3.1
537.27588	1.7
555.28369	0.5
575.62335	0.4
765.40936	100.0
766.41254	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	765.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.8
57.03328	8.6
58.00455	4.1
59.01253	65.3
60.01587	1.7
61.98708	25.5
67.20055	1.4
69.03322	4.9
69.19639	6.9
69.20071	5.5
71.01257	60.9
72.99179	6.8
73.02815	9.0
75.00736	3.0
80.02548	1.6
80.96381	4.3
81.03320	3.1
83.01244	6.1
83.04907	3.9
85.02824	12.9
87.00762	12.8
89.02320	41.1
93.03335	3.6
95.01257	3.9
95.04891	1.8
97.02843	9.3
97.06474	12.3
98.33540	1.1
99.00756	3.3
101.02330	37.6
107.04907	2.0
109.02825	2.8
109.06467	3.5
111.08038	5.6
111.45280	1.2
113.02332	19.3
115.03871	1.7
119.03397	12.2
121.02832	2.1
123.04375	2.6
124.01549	1.2
125.02332	12.7
125.09635	3.1
131.03406	2.2
133.02878	10.2
134.03598	2.9
135.04407	10.8
135.05356	1.6
135.08020	1.5
137.02330	1.8
137.06087	1.1
137.09589	2.1
139.03931	1.9
141.01859	1.6
143.03410	4.8
149.04483	4.0
149.09576	2.0
150.03119	3.0
151.07617	1.3
151.11203	11.2
153.09097	1.3
153.12689	2.2
155.10693	5.6
159.04448	1.8
161.02374	21.5
161.04427	7.4
163.11205	4.9
165.05437	1.5
165.12782	14.1
167.10727	3.2
169.12225	3.3
171.10217	2.0
172.05174	2.8
173.04469	3.3
173.05945	2.6
174.03091	1.6
175.03917	1.7
177.12764	2.7
178.02585	1.6
179.03424	12.0
179.05453	7.2
179.10692	5.4
181.12263	17.4
183.13800	6.3
185.05975	1.5
187.03836	1.8
187.07561	17.4
189.05467	4.9
191.05534	7.9
191.10724	7.5
191.14317	4.2
199.03822	2.3
199.13318	1.7
200.04697	3.3
201.05557	3.2
202.06261	4.1
203.03442	2.5
205.12227	1.3
207.10172	1.7
209.11784	56.9
209.13797	2.9
210.12108	4.0
211.07631	1.5
211.13336	7.0
213.09143	2.1
214.06154	1.8
215.07098	19.2
221.06517	2.3
225.00681	1.3
225.11296	2.1
227.03506	6.6
227.12857	28.0
228.04247	1.5
228.13164	1.7
229.08646	6.6
230.09366	3.5
231.06544	4.6
231.10170	2.8
235.08173	9.8
245.19063	13.8
253.09227	1.9
255.06596	2.2
257.08243	17.6
263.07684	2.6
263.20166	16.5
271.16785	1.5
279.19681	2.7
289.18112	23.1
290.18311	1.9
305.08618	1.7
307.19171	100.0
308.19424	8.0
323.09741	1.6
341.08737	2.5
397.13504	56.4
398.13757	4.9
415.14597	43.1
416.14798	2.7
448.13446	1.9
460.41196	1.3
511.17569	1.6
590.20093	1.8
593.24438	1.7
607.26080	51.9
608.26477	6.9
622.24677	4.7
625.23511	3.5
687.32062	3.1
705.33533	21.9
706.33899	3.7
721.28094	4.0
765.32684	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30852	0.1
59.01258	1.0
60.99177	17.7
61.98701	1.1
61.99537	0.1
67.76035	0.1
71.01253	0.8
71.05217	0.3
71.27014	0.1
78.52715	0.1
80.96403	0.2
85.02823	0.2
86.12483	0.1
87.00230	0.3
87.00751	3.3
88.00280	4.0
88.01119	0.4
88.43564	0.1
88.98679	100.0
89.02312	26.9
89.99021	1.0
90.02658	0.5
91.04657	0.1
97.02867	0.1
101.02325	0.4
113.02322	0.4
133.02827	0.5
134.03644	0.1
135.04398	0.4
144.27417	0.1
160.01561	0.1
161.02345	1.1
179.03357	0.4
186.01079	0.2
187.07541	0.2
188.71999	0.1
191.05519	0.2
202.06232	0.2
203.03354	0.3
209.11697	0.2
212.13333	0.1
228.08049	0.1
229.69987	0.1
235.08138	0.2
277.21710	1.0
305.08319	0.1
331.97092	0.1
341.08563	0.3
367.46890	0.1
397.13431	2.1
415.14713	0.7
664.50092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.2
61.98700	7.7
62.59173	0.7
71.29874	1.4
78.95775	28.8
80.02544	2.9
80.96391	3.2
81.03329	2.5
83.01255	1.3
83.04885	9.2
84.02037	1.9
95.04884	1.1
96.96876	1.1
97.06445	0.9
98.50940	0.8
123.15848	0.9
124.99980	0.7
125.05972	0.8
125.09599	1.5
135.08047	1.2
152.99480	3.3
163.11182	7.4
165.12746	3.2
168.04233	6.4
181.12172	1.6
191.10696	1.8
209.11769	97.5
210.12111	5.2
223.13382	1.7
224.06879	4.5
226.12024	1.1
227.12874	13.5
227.15085	0.8
241.14426	17.4
255.23267	74.8
256.23602	5.4
419.25076	0.9
434.20108	1.0
452.20657	1.4
462.29868	1.0
480.30930	3.8
490.37274	0.8
619.36420	2.6
633.41895	1.0
645.37427	1.4
690.43481	100.0
691.43878	22.4
704.45020	8.7
705.39691	1.0
764.40314	2.9
765.40735	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71451	0.2
57.46175	0.2
59.01246	1.0
60.99176	16.5
61.98698	2.8
61.99534	0.2
71.01247	0.8
71.50021	0.4
72.99214	0.2
73.02823	0.3
78.95790	0.3
87.00753	2.2
88.00278	4.3
88.01077	0.3
88.98677	100.0
89.02313	20.3
89.99010	0.8
91.15046	0.2
101.02302	0.6
113.02288	0.3
133.02864	1.0
135.04391	0.6
144.15926	0.2
161.02364	1.6
171.10085	0.2
175.03972	0.3
178.02591	0.3
179.03412	0.5
179.05452	0.2
191.05576	0.3
223.06183	0.2
223.13408	0.3
230.09532	0.3
230.70401	0.2
277.21558	1.0
298.36581	0.2
341.08722	0.6
397.13562	1.8
415.14420	0.3
437.14368	0.2
642.52472	0.2
765.38525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46206	0.5
56.87239	0.4
59.01242	0.8
63.96112	1.3
66.02632	0.4
69.03317	0.7
71.01258	7.9
73.02827	1.9
78.95777	2.1
78.98048	0.6
78.98465	7.7
79.95606	13.3
80.96387	87.8
81.03325	1.0
85.02819	2.7
87.00753	3.5
94.97958	20.7
96.95894	1.2
97.02836	1.3
99.00781	1.0
101.02325	2.8
106.97960	3.8
109.06449	0.4
122.97460	4.2
125.02338	3.1
125.80819	0.4
127.03899	1.3
134.97481	5.0
136.99043	1.7
148.99049	7.0
152.98509	5.9
152.99547	0.6
159.84061	0.4
163.11150	0.5
164.98538	14.1
172.12320	0.4
206.99620	3.2
207.10172	0.8
225.00694	19.6
241.01094	0.8
255.23325	3.2
453.39047	0.5
507.15421	2.9
537.27289	0.9
763.39404	100.0
764.39722	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	764.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38616	0.2
59.01244	0.9
61.98701	100.0
69.10407	0.2
69.22020	0.2
69.52055	1.5
71.01264	0.8
75.00741	0.3
78.95790	0.4
80.96387	0.3
85.02812	0.3
86.84500	0.2
88.98688	0.5
89.02305	0.6
90.75076	0.2
101.02336	0.5
133.02858	0.8
135.04434	0.7
137.02318	0.3
149.29152	0.3
153.27048	0.2
159.04503	0.3
161.02342	1.9
172.05299	0.6
173.05965	0.4
179.03470	0.7
186.06851	0.3
187.07582	2.9
189.05634	0.4
191.05623	0.4
197.11749	0.3
199.03952	0.3
200.04785	0.7
201.05569	0.7
201.09236	0.5
202.06392	0.7
209.11798	0.5
213.09187	0.7
215.07065	3.9
227.03398	1.7
229.08670	1.1
230.09383	0.4
231.06729	0.8
231.10350	0.4
255.06708	0.5
257.08142	3.3
275.09186	0.2
308.09912	0.2
312.92981	0.3
341.08911	0.3
393.11960	0.5
534.78308	0.3
598.03271	0.3
625.22809	1.1
639.20984	0.4
658.95282	0.3
770.35345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.8
58.37002	1.2
59.01249	23.4
61.98705	13.2
69.03340	1.8
71.01254	19.1
71.04864	1.9
72.99163	1.8
73.02798	4.1
74.92983	1.1
75.00732	4.1
78.25034	1.2
78.95769	12.5
80.02532	1.4
80.96378	6.1
81.03312	2.2
83.01267	1.8
83.04895	5.1
84.02015	1.9
85.02808	5.6
87.00746	5.3
89.02306	11.3
89.27183	1.3
93.03317	3.7
95.01270	1.8
96.96866	2.3
97.02822	3.4
97.06424	2.0
98.19764	2.4
99.00743	5.3
101.02321	10.2
109.06445	4.7
113.02345	7.2
114.41342	1.2
119.03376	4.6
121.02839	1.6
123.04401	1.8
125.02338	2.5
125.09625	7.1
133.02846	16.6
134.03632	2.7
135.04408	17.3
135.08012	1.3
136.04726	1.9
137.02289	1.5
140.48529	1.5
142.02690	1.5
149.04457	2.9
149.05936	1.5
151.03905	2.2
152.99509	5.9
159.04431	1.5
160.05208	1.3
161.02353	36.9
161.04378	2.0
162.02702	2.9
163.11218	7.5
164.98503	1.4
165.12675	2.2
171.10152	11.4
172.05183	1.5
173.04465	2.7
173.05913	2.4
174.03149	1.5
175.03857	2.5
176.04593	1.9
177.01834	2.3
177.05452	2.3
179.03415	14.6
180.03833	2.3
181.12277	8.6
183.13812	1.6
187.03888	2.6
187.07593	3.5
191.05566	14.6
200.04628	2.0
201.05479	5.0
201.11143	2.9
202.06139	2.8
203.03383	1.7
203.06927	1.6
207.10216	27.8
208.10492	1.8
209.11768	100.0
210.12135	8.8
211.13373	16.6
212.13696	1.6
215.07092	2.3
225.00719	3.0
225.11272	46.4
226.11656	1.9
227.03247	1.4
227.12851	12.5
229.08624	2.8
229.57648	1.5
230.09459	3.0
235.08131	3.1
241.01138	4.3
243.12212	1.9
253.09291	4.5
255.23285	17.0
256.23569	4.1
257.13925	9.9
283.13269	3.4
327.16022	3.0
341.08716	2.7
397.13412	4.7
398.13818	1.5
415.14401	2.9
443.19370	2.9
445.20926	1.5
461.20380	12.0
462.20752	2.0
500.94241	1.4
635.30603	2.3
653.31903	8.7
654.31750	2.7
671.32642	6.6
672.33038	2.1
762.82483	1.7
763.28424	1.2
763.40234	22.7
764.39813	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	761.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.1
63.96104	1.7
69.03298	0.7
69.99982	3.0
71.01250	7.8
73.02814	1.3
78.98460	7.5
79.95610	13.7
80.96387	77.0
85.02818	3.5
87.00739	2.6
94.97958	18.2
96.95861	1.2
97.02820	2.1
101.02314	2.0
106.97988	3.3
122.97454	3.8
125.02345	3.2
127.03873	1.5
134.97475	4.4
136.98996	1.8
148.99046	7.1
152.98538	6.5
157.03444	0.5
157.39018	0.6
164.40306	0.7
164.98537	13.8
167.00172	1.1
192.43605	0.7
206.99678	3.2
223.13425	1.0
225.00691	21.8
255.23233	0.8
257.21695	0.6
505.17508	2.6
523.73016	0.6
537.27234	1.6
591.05615	0.7
636.10895	0.8
761.41449	100.0
762.41711	20.0
783.15137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.5
61.98692	8.6
67.67960	1.1
68.88557	1.0
69.78815	6.5
78.95775	100.0
96.96845	7.4
99.08009	2.4
101.89113	1.0
102.05476	1.1
127.11150	2.1
138.26050	1.0
139.11165	3.7
152.99486	44.6
171.10187	15.7
183.13826	1.7
191.05524	1.2
195.13812	6.3
209.11714	1.5
211.13377	9.1
212.13644	1.3
229.14381	7.5
277.21780	7.1
293.21204	1.6
295.22784	23.3
296.23105	1.0
329.23328	18.3
330.23654	1.4
390.00674	1.1
425.25690	1.1
431.22061	8.4
449.22983	3.1
465.22562	18.2
466.22949	1.4
471.49350	1.3
483.23584	4.0
488.76004	1.2
697.96533	1.1
761.46008	72.7
762.46234	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	761.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
62.59323	0.4
63.96110	1.4
66.05004	0.4
69.03341	0.8
71.01250	7.7
73.02812	1.8
78.98466	6.4
79.95121	0.5
79.95601	12.7
80.96387	74.6
81.03329	0.5
81.96344	0.5
83.01251	0.4
85.02818	2.7
87.00735	3.3
94.97960	18.3
95.01268	0.7
96.95885	1.6
96.98207	0.3
97.02816	1.1
99.00726	0.4
99.04347	0.3
101.02320	2.8
103.68603	0.4
103.94128	0.3
106.97968	3.2
113.02285	0.4
122.97458	3.5
125.02345	3.3
127.03862	0.6
134.97459	4.9
136.99055	1.9
148.99039	7.0
152.98524	6.3
164.98544	12.8
167.00089	0.6
168.62451	0.4
179.00093	0.5
188.98633	0.6
206.99619	2.7
211.57382	0.4
223.13351	0.7
225.00682	21.4
226.00967	0.6
255.23288	2.5
275.61121	0.4
283.05029	0.6
326.20734	0.3
404.06409	0.4
505.17557	2.9
537.27112	1.3
568.53650	0.4
761.41455	100.0
762.41736	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	759.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01247	9.6
60.87613	0.9
61.81884	0.8
61.98701	16.9
68.50928	0.8
69.03325	1.4
71.01254	4.3
73.02847	1.1
78.95779	3.5
83.04922	1.8
85.02820	1.2
87.00743	1.4
89.02325	3.0
90.37371	0.9
97.02853	1.2
101.02340	3.5
101.89526	0.9
111.08064	2.9
113.02361	1.6
125.09618	2.4
127.11175	2.0
161.02460	1.0
161.04407	1.5
163.11226	1.4
165.12750	1.6
171.10178	100.0
172.10532	3.8
179.03525	1.3
181.12331	1.1
195.13860	1.4
197.11771	12.9
199.13367	1.2
201.11194	1.8
209.11790	10.0
210.12091	3.0
211.13324	3.1
211.29196	0.8
227.12833	1.9
235.08195	5.4
253.09273	12.8
254.09688	1.2
263.20221	1.1
291.19659	17.2
292.19995	1.5
295.22626	4.7
296.23041	1.1
309.20721	36.0
310.21051	3.3
311.18668	0.9
311.22272	3.1
312.22711	2.4
313.22836	1.2
344.67038	0.9
392.95343	1.1
406.17429	0.9
407.19113	3.1
422.99832	1.0
527.28851	1.2
545.29633	2.3
585.56110	1.0
759.42151	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	760.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63336	2.5
59.01248	19.1
61.98702	58.9
66.95787	2.3
71.01250	18.9
71.49390	3.1
73.02814	4.0
75.15058	2.2
78.95766	5.9
80.96380	2.5
82.94802	3.6
82.95287	52.5
83.02381	57.6
84.00782	100.0
84.01872	11.4
84.02724	3.4
84.94997	24.7
85.00310	15.9
85.02834	4.5
87.00745	6.4
89.02329	14.2
89.53434	2.1
94.23901	2.4
99.56816	1.9
101.02325	13.8
113.02346	7.7
115.17258	2.1
119.03397	5.8
119.05664	2.1
125.02331	5.5
131.41245	2.3
161.04457	6.1
179.05501	4.0
210.37869	2.3
235.08151	8.1
237.46437	2.1
258.58188	2.6
277.21713	38.8
278.22073	3.8
295.22870	2.4
365.03824	2.3
397.13510	56.6
398.13589	5.3
398.55661	2.2
400.80408	2.7
415.14478	17.5
457.90286	2.5
648.08252	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.2
61.98702	7.7
69.47516	6.2
69.47924	2.0
71.01251	66.8
78.95770	15.2
83.04897	0.9
85.02825	2.1
87.00729	1.4
89.02322	1.6
95.01302	1.2
96.96832	1.3
99.00755	2.2
101.02328	5.2
109.06473	3.9
113.02344	2.3
119.03327	1.1
119.33288	0.9
125.09580	1.6
127.11166	1.2
135.08018	1.2
145.05023	1.2
152.99480	9.1
158.54359	0.9
161.04459	2.1
163.11169	2.8
169.12212	1.2
171.10175	45.7
172.10588	1.7
181.08612	1.7
191.38602	0.9
197.11685	1.0
199.09712	8.9
199.13269	1.0
201.11269	9.3
207.10211	12.1
208.10504	0.9
209.11775	1.8
211.13423	1.8
225.11250	8.9
235.08170	4.7
253.09277	10.2
255.23253	1.7
277.21716	100.0
278.22119	7.4
293.21185	2.1
295.22443	1.3
371.63330	1.0
445.19675	1.4
447.21069	1.2
461.20389	1.7
544.11530	1.0
721.40826	2.1
722.42694	1.4
731.32593	1.0
739.42340	1.8
757.43323	15.0
758.43640	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00194	1.1
59.01250	19.1
61.98704	9.4
69.78370	6.1
70.66737	0.9
71.01253	90.9
72.99185	1.0
73.02816	1.5
76.95671	1.1
78.95776	13.0
85.02804	1.9
89.02310	4.0
97.02840	1.9
97.06447	1.1
99.00754	1.3
101.02311	5.6
109.06485	7.0
113.02323	4.5
119.03390	2.1
125.09538	2.6
127.07478	1.2
127.11153	3.8
133.02917	1.3
135.08018	1.6
143.43280	1.1
151.07521	1.1
152.99483	5.8
153.09152	1.8
155.10658	1.7
161.02306	4.0
161.04396	1.5
163.11200	5.7
171.10181	100.0
172.10480	3.6
175.03963	1.2
179.03319	2.0
179.05580	1.4
181.12207	2.9
199.09700	20.0
199.13313	2.5
200.09973	1.8
200.33784	1.1
201.11259	19.7
207.10211	23.8
208.10544	2.3
209.11642	1.5
225.11273	17.4
235.08092	1.4
243.12416	2.8
253.09283	11.4
277.21729	65.9
278.22131	6.3
293.21271	1.4
311.22205	1.7
327.18704	1.3
435.18726	2.4
445.19962	1.4
447.21768	1.5
461.20435	4.9
479.21594	1.2
512.95142	1.1
513.88245	1.0
539.53625	1.1
595.32849	1.1
721.41675	3.9
722.42181	2.0
739.42542	1.6
757.43878	21.4
758.43964	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	757.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	13.6
61.98707	20.3
69.79001	8.9
71.01252	100.0
78.95773	67.7
85.02821	2.0
87.00788	2.7
89.02321	2.7
90.01476	1.5
96.96858	5.3
98.20480	2.7
99.00742	2.1
101.02297	3.2
109.06483	3.1
112.36859	1.4
129.01834	1.7
129.09128	2.6
152.99500	36.2
155.20581	1.7
171.00627	1.7
171.10187	52.4
172.10551	1.8
181.12251	3.2
186.53438	1.8
197.11772	13.9
199.09726	6.2
199.13338	2.2
201.11275	5.6
207.10231	9.5
211.13358	4.4
218.84406	1.7
225.11235	5.3
235.08153	3.3
253.09247	7.9
275.20016	1.9
277.21722	87.8
278.22058	8.4
293.21228	3.7
309.20813	4.7
311.22263	9.9
443.07739	1.8
445.20023	8.5
447.21460	19.1
448.22247	2.5
461.20380	2.2
463.20618	2.4
465.22372	3.2
475.74496	1.7
659.85754	1.9
721.41907	2.6
757.43225	41.1
758.43201	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10117	0.8
55.01749	0.7
57.03316	2.3
57.03574	0.8
58.00459	0.8
59.01252	28.0
61.98701	10.1
69.03326	1.3
71.01261	9.1
71.49480	1.0
71.49834	0.7
72.99190	0.8
73.02812	1.6
75.00746	1.6
78.95779	2.1
80.02574	1.1
81.03346	1.7
83.01260	1.3
83.04916	5.7
84.02063	1.2
85.02831	2.9
87.00747	3.2
89.02308	4.6
93.03339	1.6
95.01260	1.3
97.02837	1.3
97.06516	1.2
99.00758	1.5
101.02330	5.8
109.06477	1.5
111.08025	2.5
112.08385	0.9
113.02322	3.6
119.03371	1.5
125.09622	2.7
127.11153	2.2
133.02837	1.0
135.04417	1.9
137.09596	1.0
142.35701	0.8
143.03493	0.7
149.04346	0.8
149.09639	0.8
152.99539	0.9
155.10634	1.3
161.02307	2.3
161.04489	2.7
163.11203	3.8
165.01888	1.1
165.12801	1.5
166.12994	0.8
169.12253	1.8
171.10213	9.4
172.10542	1.1
173.06245	0.8
179.03455	1.1
179.05516	1.2
181.12335	1.3
182.12654	1.0
183.10269	1.3
185.11787	1.1
187.07730	1.0
191.05580	1.8
191.10701	0.9
195.06683	1.0
195.13840	8.6
196.14359	1.0
197.11795	9.9
198.12149	3.1
199.13286	0.8
201.11281	33.6
202.11607	2.6
205.12350	0.9
207.10184	2.7
208.10527	1.3
209.11790	100.0
210.12146	18.3
211.12126	1.2
211.13361	3.3
223.13350	5.7
225.11307	3.8
225.53140	0.7
226.11525	1.7
227.12883	15.5
228.13298	4.2
229.14565	1.9
231.20908	0.8
235.08170	4.0
239.12856	0.9
253.09291	32.2
254.09651	2.9
256.13055	1.2
275.20282	6.7
291.19754	3.7
292.20026	3.2
293.21246	99.4
294.21527	11.4
295.22723	7.4
296.23163	1.0
309.20770	8.0
310.21008	5.9
311.22125	13.3
312.22491	1.4
382.14142	1.1
437.20322	1.6
445.20242	1.2
470.66537	1.0
477.32724	1.2
503.33954	0.8
510.19250	0.8
521.34894	1.0
529.30084	2.8
739.41626	1.2
757.43121	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	757.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13820	0.6
57.03305	0.7
59.01250	6.8
60.99167	1.4
61.98709	5.4
63.57790	0.6
64.19585	0.6
69.03316	0.7
70.15984	0.5
70.16309	2.7
71.01253	4.8
73.02812	1.5
74.30627	0.5
81.03379	0.7
83.01258	1.2
85.02821	9.4
87.00742	3.8
88.98685	6.9
89.02322	1.7
93.03352	4.2
95.01237	0.9
99.00795	0.9
99.04380	0.8
101.02343	2.9
105.03339	1.3
107.04898	1.6
109.02837	1.6
111.04406	2.1
112.45441	0.7
113.02325	2.5
123.04431	1.0
125.02355	0.7
127.03916	2.0
133.02843	7.7
134.03648	7.2
135.04416	60.3
136.04738	2.5
136.79860	0.7
137.02313	1.1
139.03891	0.7
149.04469	1.5
153.09117	0.8
155.03371	1.8
157.01259	0.7
161.02356	9.9
161.04454	0.8
162.02701	0.7
173.04512	4.7
177.01852	3.4
178.02652	2.2
179.03415	50.9
180.03728	3.0
191.05540	100.0
192.05858	4.7
198.06850	0.6
209.11768	1.1
223.73080	0.5
290.48663	0.7
299.01923	0.7
309.14856	0.9
327.15964	0.8
353.08774	50.0
354.09167	5.8
432.16010	0.7
521.24677	0.6
581.25195	2.4
607.24237	1.0
625.25201	2.1
652.39655	2.3
653.40295	2.7
670.41315	1.4
671.41199	1.5
713.42303	1.3
736.75952	0.7
757.30975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16526	0.5
57.03294	0.4
59.01247	2.7
60.99178	0.4
61.98690	1.9
67.01752	0.7
69.03323	0.6
70.48930	0.9
71.01248	2.1
73.02811	0.7
77.40487	0.3
81.03339	0.6
83.04883	0.4
85.02818	5.6
86.03159	0.6
87.00741	1.1
88.98682	1.2
89.02318	1.0
93.03324	3.6
96.95918	0.8
101.02326	0.8
105.66570	0.4
109.02834	0.9
111.04398	1.0
113.02331	0.9
117.03299	0.4
119.03400	0.4
126.27882	0.4
127.03896	1.8
133.02872	2.9
134.03593	0.5
135.04405	7.1
136.04787	0.6
137.02330	0.8
149.04462	0.8
150.03085	0.4
155.03421	0.5
161.02357	5.6
162.02684	0.5
171.02888	0.6
171.10159	0.6
173.04448	5.6
178.02632	0.6
179.03416	6.3
180.03816	0.5
191.05534	100.0
192.05865	4.5
193.05945	0.5
202.06082	0.4
209.11842	1.2
241.35895	0.4
327.86835	0.4
353.08743	15.0
353.13181	0.7
354.09180	1.1
581.26135	0.7
599.29816	0.4
606.18097	0.4
607.24213	0.5
625.24860	0.5
625.36066	0.4
719.25800	1.2
720.26538	0.5
721.26111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.2
63.02254	7.4
65.00190	12.2
66.85110	3.1
71.01228	4.7
71.49287	4.9
72.42157	3.1
75.00745	11.7
78.95780	2.8
82.55318	2.9
83.01256	5.9
85.02808	5.6
86.54533	2.8
87.00768	3.4
89.02308	5.8
93.03333	11.0
93.97382	3.2
95.01231	4.0
99.00774	4.0
100.94740	2.8
107.01262	15.2
109.02885	3.6
111.00760	5.2
116.92726	3.1
117.03348	11.6
119.04935	11.2
123.00751	6.9
124.01617	4.3
125.02357	6.4
132.02072	5.1
133.02875	4.8
134.03622	11.4
135.04451	4.8
135.58333	3.0
137.02347	7.5
139.00201	7.4
143.04927	4.6
145.02861	8.4
149.04471	10.0
149.99500	3.1
151.00272	44.1
152.01042	6.5
153.01801	5.6
159.04422	14.4
161.02353	6.6
163.00252	3.9
163.03923	13.8
164.01096	4.4
165.99033	4.7
166.99757	4.4
168.04338	5.1
169.01299	4.0
171.04393	10.0
173.02315	4.0
173.04465	5.5
173.05885	4.2
175.03867	4.0
176.12784	3.1
177.98859	3.4
178.99799	38.0
179.03351	3.3
183.04533	4.8
183.06485	6.3
185.02260	4.3
187.03931	9.0
188.04796	4.0
191.05531	12.9
193.01355	4.2
193.05000	13.3
199.03946	7.5
203.03404	7.3
214.02527	4.2
215.03336	10.5
216.04123	9.0
226.02632	4.6
227.03471	16.3
231.02997	7.2
242.02182	8.2
243.02872	19.2
244.03505	5.2
255.02966	44.7
256.03403	6.6
257.04453	3.8
259.02481	19.6
270.01666	15.9
271.02457	75.9
272.03107	16.7
283.02460	18.4
284.03192	17.7
285.04031	17.7
287.02014	21.8
298.01117	7.5
299.01926	72.4
300.02588	34.8
301.03455	22.9
316.02164	55.8
317.02988	19.6
565.14886	3.5
645.16479	4.6
668.62128	3.4
713.19250	4.7
739.17352	8.7
757.04541	5.4
757.18292	100.0
758.18750	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	756.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.8
61.98701	100.0
62.98402	0.2
66.14376	0.1
69.41737	0.1
71.01268	0.4
71.50117	0.2
73.02824	0.2
78.46144	0.1
78.95770	0.3
83.04893	0.2
89.02318	0.4
96.95892	0.5
101.02344	0.4
111.08020	0.3
113.02312	0.3
116.92748	0.3
125.09537	0.2
133.02887	0.2
135.04440	0.3
161.02402	0.4
163.11134	0.2
171.10205	0.2
179.03421	0.3
186.37469	0.2
191.05609	0.7
197.11804	0.5
198.12219	0.3
207.10271	0.2
209.11774	4.3
210.12048	1.3
211.13371	0.3
225.11494	0.2
227.12849	0.6
228.13239	0.2
231.10115	0.2
235.08139	0.2
253.09322	0.6
291.19745	0.4
292.20023	0.3
302.47906	0.2
309.20688	0.9
310.21036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25164	0.8
55.44764	0.8
55.66119	1.0
59.01235	2.6
63.02246	1.1
63.05104	0.8
65.00178	3.0
71.01250	2.2
71.29551	1.5
74.15464	0.8
80.80246	0.8
87.00694	1.1
89.02305	2.8
91.62704	1.0
95.01241	3.6
99.10754	1.0
101.02330	1.5
107.01237	3.2
108.02008	1.1
109.02848	1.9
109.99976	9.3
111.00771	5.0
119.04179	1.4
119.04918	13.4
123.00763	4.0
124.01524	2.8
125.02349	1.0
132.29276	1.0
133.01300	1.3
133.02794	1.4
135.00789	1.1
135.04366	1.1
136.01506	1.1
136.98695	1.5
137.02254	1.0
137.99471	4.4
139.00273	12.5
139.03874	0.9
143.04849	1.1
145.02827	1.2
146.03546	1.3
147.00691	1.0
148.01517	1.1
149.02312	1.2
149.04446	15.1
151.00267	14.3
152.01009	5.7
155.04944	1.3
159.04419	1.9
161.02296	3.6
163.00229	1.7
163.03926	10.2
164.01059	2.7
164.04214	1.0
164.98233	1.1
165.01819	1.1
165.98982	11.4
166.99779	4.8
169.01349	1.0
169.02721	1.1
171.04308	1.8
173.04504	1.1
174.03143	2.0
175.00226	1.2
175.03833	2.5
176.01028	1.0
178.99791	16.5
180.00366	1.1
183.04420	1.8
187.03838	2.9
188.04665	1.6
189.01811	2.3
191.03349	1.1
191.05437	2.6
193.01256	1.4
193.98471	1.3
194.99216	2.0
198.03087	1.9
199.03978	5.2
201.01848	4.7
202.02527	1.6
203.03378	3.8
205.01405	1.3
208.00011	1.6
213.01947	1.3
214.02620	4.2
215.03357	4.8
216.04103	1.5
225.01859	1.1
226.02638	1.5
227.03447	7.3
228.03795	1.1
229.01279	1.1
230.02190	1.8
231.02933	5.7
232.03658	2.6
241.01480	1.6
242.02179	6.9
243.02940	13.3
244.03523	2.7
245.04625	1.4
255.03000	8.8
256.03131	1.4
259.02463	3.9
260.02979	2.2
270.01672	9.4
271.02466	63.6
272.03033	10.6
273.04001	2.5
287.01974	22.0
288.02682	12.8
289.03079	1.3
295.08176	1.2
298.01147	3.6
299.01944	66.3
300.02460	10.2
301.03430	3.4
315.01538	7.0
316.02206	92.1
317.02701	18.0
325.09186	2.1
334.60681	1.0
571.25726	1.1
595.12048	1.0
609.14697	1.1
622.97913	0.9
623.72876	1.0
711.31628	1.2
713.19885	3.0
729.18457	1.4
739.17334	4.0
757.18231	100.0
758.18616	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69761	0.3
57.03322	0.6
59.01250	6.8
60.01542	0.4
61.98685	0.3
69.03329	0.5
70.36222	0.9
71.01251	4.1
73.02821	0.9
80.02551	1.2
81.03333	1.3
83.01271	0.6
83.04901	5.4
84.02035	1.0
85.02824	1.1
87.00746	0.8
89.02319	2.8
93.64140	0.3
95.01283	0.5
95.04902	0.6
97.02844	2.1
101.02318	3.1
101.53520	0.3
109.06475	0.7
111.08041	4.3
113.02322	2.2
119.03400	0.7
123.08038	0.4
125.05988	0.7
125.09610	0.5
127.07497	0.5
135.08072	0.7
137.09595	0.6
161.04468	1.8
163.11201	4.0
165.12749	3.8
166.13188	0.3
169.12277	2.1
171.10190	5.4
179.05557	0.9
179.10680	0.3
181.12274	1.4
183.13824	0.6
185.11745	0.5
191.10678	1.1
193.12308	0.3
197.11763	22.3
198.12122	1.3
199.13341	1.3
200.83817	0.3
201.11259	0.7
207.10199	1.0
209.11765	100.0
210.12096	6.2
211.13321	3.7
212.13715	0.4
223.13408	0.4
225.11339	1.7
227.12830	12.7
228.13190	0.6
235.08163	3.1
247.20729	1.0
253.09247	13.3
254.09641	0.8
258.27634	0.3
263.20145	1.0
265.18015	0.4
273.18658	0.7
275.20114	0.4
291.19659	18.0
292.19977	1.8
293.21176	3.7
294.21539	0.3
309.20694	39.1
310.21051	3.7
356.56131	0.3
364.26587	0.3
401.93756	0.3
402.76233	0.3
433.20776	0.3
445.20715	1.2
545.29718	0.6
583.14697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64056	0.3
55.01763	0.5
57.03330	1.0
58.00481	0.8
59.01251	15.9
61.98697	0.6
69.03341	1.0
70.55453	0.9
71.01257	7.0
71.04902	0.4
72.04029	0.3
72.99189	0.5
73.02831	1.4
78.95802	0.4
80.02551	1.1
81.03332	1.8
83.01256	0.7
83.04903	5.1
84.02048	0.7
85.02835	1.7
87.00791	1.5
89.02331	2.8
95.01257	0.6
95.04892	1.2
97.02848	0.7
97.06448	0.6
101.02325	4.2
102.24282	0.3
109.06473	2.3
111.00760	0.5
111.08050	5.7
113.02319	2.2
119.03403	0.7
123.08164	0.3
125.05965	0.7
125.09616	0.8
127.07570	0.4
127.11186	0.4
135.04419	0.7
135.08084	0.9
138.58438	0.3
143.03435	0.4
147.96349	0.3
151.11203	0.4
153.09064	0.3
153.12753	0.8
155.10591	0.4
161.02328	0.8
161.04457	2.2
161.09651	0.5
163.11194	5.1
165.12766	2.6
167.10661	0.5
169.12245	3.2
171.10185	7.8
179.03398	0.8
179.05597	0.6
179.10718	0.6
181.12276	1.8
183.13809	0.9
185.11794	0.5
191.05452	0.4
191.10696	1.2
195.13849	0.9
197.11771	31.4
198.12083	2.2
199.13387	2.2
201.11256	3.7
207.10226	3.9
208.10548	0.9
209.11777	100.0
210.12120	5.9
211.13335	5.8
223.13361	0.6
225.11266	6.7
226.11584	0.7
227.12851	15.0
228.13217	1.0
235.08191	3.8
243.12337	0.4
247.20662	0.5
253.09270	18.1
254.09586	0.9
254.45396	0.3
263.20181	2.1
265.18002	0.6
273.18680	1.1
275.20313	0.7
291.19666	16.1
292.19894	1.5
293.21237	9.2
294.21613	1.2
307.19226	0.3
308.19363	0.3
309.20709	42.4
310.21017	4.1
311.21729	0.5
397.26254	0.3
433.20453	0.5
445.20789	1.0
461.20154	0.8
462.20517	0.3
463.21606	0.6
501.31961	0.4
519.33411	0.5
527.28357	0.4
545.29572	0.4
559.80859	0.3
666.93292	0.3
737.40961	0.9
755.41998	2.3
756.42462	0.6
775.71643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.6
57.03318	3.1
59.01250	65.0
61.98702	72.8
62.76808	1.0
62.98429	1.3
65.77761	0.9
67.01754	1.6
68.99698	1.5
69.03334	2.3
69.25082	8.6
69.52614	1.0
71.01254	40.9
72.01586	1.0
72.99180	4.4
73.02821	12.9
75.00758	1.1
80.96387	1.5
81.03369	1.0
83.01260	8.1
85.02824	23.2
85.03300	1.7
87.00750	7.4
89.02315	11.8
93.03342	3.5
95.01276	5.6
96.95879	1.3
97.02831	3.1
99.00773	3.4
99.04384	1.6
101.02320	28.3
102.01936	1.0
109.02830	1.2
111.00756	7.9
111.23529	1.0
112.01537	1.1
113.02321	19.7
114.02628	1.1
119.03397	4.3
121.02864	1.2
124.01554	1.1
125.02328	7.0
128.80727	1.0
129.01868	1.4
133.02866	11.0
134.03671	1.9
135.04414	16.1
143.03380	4.0
146.74629	1.0
149.04468	1.2
159.02901	2.4
159.34741	1.1
160.01509	1.0
161.02361	22.3
161.04466	4.1
162.02620	0.9
165.04002	1.6
165.05865	1.2
173.04471	4.5
175.03844	1.5
177.01843	2.3
178.02579	1.9
179.03439	16.1
179.05060	1.5
179.05418	1.0
187.07545	1.7
191.01981	1.2
191.05544	22.9
192.05905	2.1
201.05460	1.6
202.06210	1.8
209.11806	2.2
229.08684	1.4
230.09441	1.9
231.10278	1.4
241.14372	1.1
271.02560	2.8
299.02094	1.7
299.25916	2.7
300.02658	2.6
315.10788	4.0
336.67038	1.1
337.09076	1.1
345.30139	6.9
353.08780	6.2
487.14868	1.8
489.34277	6.1
507.35416	12.7
508.35364	1.5
622.19141	2.2
623.34216	2.5
651.39569	100.0
652.29150	1.1
652.39899	19.7
668.39069	1.1
669.40594	65.8
670.40973	13.1
711.29309	1.5
711.41821	27.9
712.42120	6.0
719.25476	12.8
720.25818	4.1
750.82471	1.3
755.21906	2.8
755.35663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2405
Annotation	Arenarioside
Peak:m/z	Relative Intensity
56.01741	0.5
59.01255	12.4
69.59695	4.1
70.49088	0.6
71.01260	10.7
73.02817	0.7
75.96263	0.6
85.02821	4.6
87.00765	1.5
89.02327	9.0
95.01257	1.8
96.95885	3.2
98.20575	0.6
99.00780	0.6
101.02332	2.3
107.63346	0.6
113.02341	10.6
119.03370	0.8
123.04388	4.8
131.03421	3.2
132.02092	2.0
133.02861	35.0
134.03197	1.6
135.04424	12.8
149.04465	2.6
153.05482	3.7
161.02362	100.0
162.02669	4.2
166.16098	0.8
179.03435	2.4
191.05542	1.9
275.96674	0.6
297.09982	0.8
305.06696	0.7
315.10883	2.2
447.15161	1.2
461.16660	2.9
593.21014	14.4
594.21210	1.0
755.24054	45.1
756.24451	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	755.241
Annotation	Arenarioside
Peak:m/z	Relative Intensity
56.21742	1.2
57.35588	1.4
59.01258	16.3
69.42166	10.3
71.01254	12.3
72.72075	1.2
85.02827	7.6
87.00793	1.7
89.02330	10.7
95.01263	2.8
101.02323	3.7
107.04929	1.3
108.34343	1.2
113.02335	16.1
119.03416	1.3
123.04406	5.2
125.23357	1.1
127.98899	1.7
131.03403	2.6
132.02086	2.6
133.02861	38.7
134.03345	1.3
135.04416	21.1
143.03424	1.4
149.04471	5.0
153.05472	5.9
160.87675	1.2
161.02362	100.0
162.02638	1.8
173.04517	1.4
179.03429	5.3
191.05566	6.5
221.04437	2.5
230.11948	1.2
271.02539	1.4
299.02112	2.0
315.10837	3.4
362.07166	1.3
461.16550	3.4
473.89273	1.2
593.21326	8.8
594.22028	1.5
600.03479	1.3
755.24091	78.0
756.24292	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	755.2041
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
56.53021	0.3
57.32318	0.3
57.73955	0.3
58.80337	0.3
59.01238	0.8
61.15084	0.3
64.50681	0.3
65.00190	0.8
68.83147	0.3
69.85739	1.2
82.84109	0.3
85.02828	0.4
88.53974	0.3
89.02325	0.4
90.20006	0.3
93.03345	0.6
97.02831	0.4
97.48177	0.3
101.02313	0.3
109.02872	0.3
121.02845	1.3
133.02864	0.5
135.04344	0.5
142.11107	0.3
149.02354	0.4
149.04506	0.4
151.00258	0.8
161.02339	0.4
163.03854	0.6
165.01851	6.4
171.04346	0.4
175.03931	0.6
187.03932	0.5
191.05501	0.6
193.01366	2.3
198.03056	0.4
199.03964	2.7
201.01880	1.0
203.03551	0.7
215.03445	1.1
227.03448	3.6
242.02162	0.7
243.02922	4.6
244.03275	0.4
254.02118	0.6
255.02936	1.4
257.04593	0.4
269.04480	1.9
270.01703	1.1
271.02472	58.8
272.02802	5.2
285.04031	3.7
286.04608	0.8
287.05618	0.6
299.01950	100.0
300.02304	9.5
313.03406	1.0
314.04300	91.5
315.04843	13.9
316.05347	0.9
369.05890	0.4
503.11746	0.7
570.79645	0.3
591.13617	0.4
755.20313	77.1
756.20679	15.5
756.34430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.0
63.02251	1.0
65.00203	5.0
68.99641	0.9
69.16647	3.7
69.17063	7.5
71.01245	2.5
83.01263	2.3
85.02826	2.3
87.00747	1.2
93.03312	1.6
95.01265	1.6
101.02287	1.6
107.01247	3.3
108.02060	1.6
109.02821	1.1
109.99995	5.4
111.00759	3.4
113.02356	1.4
114.91748	1.0
117.03356	1.5
123.00790	1.3
124.01559	1.7
125.02314	2.0
133.02817	1.4
135.04355	1.3
135.12880	1.1
136.98648	2.1
137.02325	1.0
137.99457	3.6
139.00264	5.7
145.02776	1.1
151.00273	10.4
152.00958	2.4
155.04834	1.5
159.04384	1.2
161.02303	2.7
163.00250	3.0
164.76414	1.0
165.99001	9.4
166.99739	3.7
171.04367	1.8
178.99780	6.4
183.04478	2.0
185.05962	1.4
187.03851	3.6
191.05569	3.8
193.98363	1.2
198.03111	3.1
199.03943	3.9
200.04712	1.2
203.03514	1.0
207.02919	0.9
211.03915	3.3
215.03378	2.9
216.04118	2.0
226.02646	4.6
227.03438	12.4
228.04153	2.5
229.04813	1.8
239.03476	1.6
241.01350	1.2
243.02971	21.3
244.03583	4.4
254.02240	4.4
255.02971	47.5
256.03470	4.8
257.04608	2.2
271.02466	68.1
272.03091	21.0
273.03778	2.2
282.01636	1.9
283.02469	18.1
284.03088	4.5
285.03925	5.7
299.01981	5.8
300.02728	100.0
301.03345	24.7
302.03918	1.5
327.04858	1.5
712.62231	1.3
737.18951	1.7
755.20319	93.2
756.20770	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	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
61.98701	100.0
62.98399	0.2
69.28973	0.1
71.01257	0.1
74.96430	0.1
98.20571	0.2
135.04398	0.1
143.50896	0.1
161.02348	0.1
191.05595	0.1
207.10204	0.1
209.11783	0.1
369.93512	0.1
576.80341	0.1
614.35004	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2035
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
60.80639	0.6
64.64352	0.5
65.00187	1.0
67.04260	0.5
69.39636	5.0
99.87142	0.5
107.01276	2.1
108.02052	1.9
120.02129	0.6
120.17319	0.6
121.02787	0.6
135.00769	1.3
148.01573	1.3
151.00279	4.4
178.99765	4.7
215.03447	0.7
216.04155	1.1
226.02686	1.3
227.03465	3.4
243.02937	12.3
244.03281	1.4
254.02132	2.4
255.02956	30.2
256.03290	2.3
271.02472	66.3
272.02917	5.9
299.01892	3.4
300.02728	100.0
301.03268	14.7
302.03870	0.9
681.67657	0.6
697.41650	0.7
755.20331	97.3
756.20685	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03316	1.7
57.30743	0.7
58.00467	0.7
59.01254	18.0
60.96270	0.7
61.98693	2.2
64.66015	0.7
69.03333	1.8
71.01260	13.8
71.21133	1.6
73.02814	3.0
78.95786	1.1
80.02548	2.4
81.03319	5.0
83.01276	2.3
83.04907	7.6
84.02074	1.2
85.02827	4.0
87.00749	3.0
89.02326	7.8
91.03872	1.2
93.03321	0.9
95.01259	1.5
95.04896	2.1
97.02840	10.7
97.06467	3.7
99.00775	2.0
101.02331	10.6
106.04115	1.2
107.04921	1.1
109.06480	41.9
110.03627	1.1
111.00755	0.8
111.04426	1.4
111.08045	9.1
113.02333	6.7
119.03394	2.0
119.08617	0.7
121.06469	2.3
123.04413	3.6
123.08028	1.3
125.02330	1.0
125.05960	1.2
125.09618	4.3
131.03319	0.9
133.02814	2.2
135.04465	1.9
135.08047	6.0
136.05212	1.8
137.09628	2.0
142.02596	2.0
145.04929	1.0
145.10147	0.8
151.11198	0.8
153.12671	0.9
159.02908	0.7
161.02377	4.9
161.04460	4.4
161.09648	2.5
163.11211	26.6
164.11549	1.2
165.09071	1.1
165.12782	4.8
167.10660	1.3
169.12291	4.9
171.10185	5.4
179.03426	1.6
179.05589	1.1
179.10686	1.7
181.12292	6.8
183.13788	1.0
185.11797	3.8
189.09163	3.5
191.10733	1.4
191.14374	3.7
192.55563	0.7
197.11774	38.1
198.12117	1.9
199.13356	3.0
207.10223	100.0
208.10515	5.5
209.11787	94.1
210.12109	4.5
211.13345	7.9
223.09726	1.9
223.13354	1.2
225.11304	38.7
226.11673	2.6
227.12842	12.7
227.14917	1.3
235.08240	6.8
237.11336	2.2
243.12323	1.0
245.19092	6.6
247.20778	1.1
253.09279	33.1
253.11935	1.6
254.09540	1.3
263.20126	4.0
265.18011	1.2
271.16907	0.9
281.21198	1.1
289.14774	1.5
289.18091	29.5
290.18359	2.1
291.19696	24.2
292.19928	2.2
293.21286	2.7
299.15106	1.8
307.19165	24.5
308.19476	2.2
309.20724	66.3
310.21024	5.4
401.23425	1.0
415.15155	1.0
433.20749	1.2
443.19290	6.7
455.31866	1.3
461.20273	11.7
461.89743	0.8
462.20493	0.8
499.30771	1.5
521.53394	0.7
545.30133	1.4
637.32257	1.5
735.39380	3.5
744.33356	1.0
753.40845	42.1
753.83856	1.4
754.41681	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
57.03311	1.6
59.01254	7.3
61.98699	2.6
69.03338	3.1
71.01260	7.0
71.04884	2.3
71.07509	1.1
72.99176	0.8
73.02804	0.9
75.00755	1.1
83.04885	1.0
85.02814	1.1
87.00780	0.9
87.71227	0.5
89.02315	2.0
97.02815	1.0
97.06498	1.4
101.02338	3.0
103.40696	0.6
109.06491	1.1
111.00797	0.7
111.08041	1.0
113.02329	2.3
119.03362	0.7
123.08047	1.2
125.09630	2.7
128.87137	0.6
133.02817	1.0
135.04411	0.8
141.07404	0.6
151.11172	2.2
153.12761	1.3
161.02335	3.2
161.04471	1.4
161.09622	2.7
163.11195	0.6
165.12801	0.6
169.12308	0.6
171.10181	2.3
179.03400	0.7
179.10710	5.0
181.12308	1.3
182.12663	0.6
195.13911	3.5
197.11769	76.8
198.12073	3.5
207.10207	3.9
209.11786	10.7
211.13373	1.2
223.09718	1.3
223.13306	2.3
225.11275	4.2
227.12759	2.2
230.60658	0.6
235.08231	1.4
241.10786	3.5
243.12325	0.6
253.09323	4.9
275.20193	1.4
289.18033	2.2
291.19693	2.3
293.21234	10.7
294.21378	1.0
307.19144	2.6
309.20749	2.8
477.19760	2.6
735.40173	0.8
753.40710	100.0
754.41107	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	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49585	1.3
55.01756	4.4
57.03323	3.4
58.00469	2.8
59.01250	76.4
61.98698	28.7
67.01753	2.7
69.03326	3.0
71.01254	60.6
71.50951	2.7
72.01582	1.8
72.99175	4.0
73.02802	10.4
75.00728	1.6
80.96412	2.3
81.03326	2.6
83.01261	9.9
85.02820	25.9
87.00774	7.1
89.02326	21.7
93.03326	13.1
93.06977	1.7
95.01266	7.3
96.95910	1.7
99.00757	5.4
101.02327	34.8
111.00757	4.8
111.04401	1.4
113.02335	22.4
116.92740	1.7
119.03392	7.0
125.02359	4.6
133.02856	11.5
134.03648	1.9
135.04427	15.2
143.03409	3.1
149.04430	4.4
151.03937	2.3
161.02321	7.1
161.04448	5.0
169.12268	2.5
173.04439	19.6
177.01840	4.4
178.02513	2.4
179.03429	5.1
179.05484	2.2
189.05504	1.7
191.05533	12.0
197.11758	4.3
198.12131	3.0
209.11783	8.2
210.12154	3.0
213.18530	2.9
215.05574	4.4
219.38753	1.5
260.08063	1.5
299.02139	2.1
307.08148	1.9
323.25464	1.6
343.28235	1.7
351.07025	8.6
354.54706	1.5
438.83768	1.6
487.32791	10.6
505.33908	11.8
506.34164	1.9
649.37976	100.0
650.38275	18.2
667.39044	69.8
668.39185	16.1
689.32672	2.9
709.40015	25.9
710.40125	4.9
721.35541	5.3
753.38965	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	753.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.0
57.03312	5.1
58.00462	2.1
58.30826	1.1
59.01252	71.2
61.98704	77.2
69.03342	2.3
71.00855	2.3
71.01254	46.7
71.11805	1.1
71.50727	1.7
72.99171	4.0
73.02813	13.5
75.00713	1.8
80.96365	1.4
81.03300	1.5
83.01256	8.6
83.04897	1.2
85.02824	22.7
87.00744	8.3
89.02306	10.5
93.03324	3.3
95.01236	6.6
97.02820	4.5
97.10596	1.1
99.00763	5.8
101.02329	29.7
109.02840	1.7
111.00756	4.2
113.02345	16.3
119.03384	2.8
120.64819	1.2
123.04418	1.7
125.02312	7.2
126.49192	1.2
129.01770	1.6
133.02847	3.7
134.03642	1.8
135.04417	6.3
141.01831	1.6
143.03419	2.8
149.04482	3.7
159.02924	2.9
161.02380	9.1
161.04437	3.4
161.57016	1.2
164.18440	1.3
168.56642	1.2
173.04485	3.0
179.03410	6.6
191.05553	9.2
199.04066	1.4
208.98546	1.4
209.11734	2.8
271.02390	3.6
297.24481	2.7
299.01990	8.3
343.28531	4.7
487.32596	6.4
505.33759	11.0
615.22974	1.8
621.32422	3.8
649.38043	100.0
650.38446	19.4
667.39063	73.5
668.39282	14.1
709.40204	21.7
710.41052	3.3
753.30743	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	752.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34355	0.1
59.01253	1.1
61.98701	100.0
62.98421	0.1
69.20648	1.2
69.21052	0.1
71.01248	1.1
73.02806	0.1
78.95765	0.1
80.96392	0.2
82.82467	0.1
83.01265	0.2
83.04883	0.2
85.02845	0.4
87.00768	0.2
89.02333	0.5
93.03368	0.1
96.70628	0.1
96.95895	0.2
100.24158	0.1
101.02337	0.4
113.02332	0.2
119.03394	0.2
133.02881	0.2
135.04471	0.3
149.04474	0.2
161.02399	0.5
173.04488	0.1
175.52899	0.1
179.03426	0.3
191.05553	0.6
207.10226	0.2
209.11835	0.5
217.95815	0.1
225.11401	0.1
227.12987	0.1
241.21794	0.1
246.56236	0.1
289.57678	0.1
327.25839	0.2
328.25800	0.2
376.93826	0.1
389.04221	0.1
432.53363	0.1
504.32953	0.2
505.34698	0.2
576.34631	0.2
585.81262	0.1
620.36493	1.8
621.37250	0.3
665.97510	0.2
752.40778	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	753.2246
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
53.92181	0.3
54.01245	0.3
59.01245	1.2
61.98706	0.3
65.00204	0.7
68.54359	0.3
69.49002	2.3
85.02841	0.5
93.03340	0.9
93.65178	0.3
97.02846	0.3
101.13837	0.3
107.01279	0.6
109.02872	0.3
113.02252	0.5
117.03352	0.4
133.02858	1.5
134.03264	0.4
135.04425	0.7
135.11594	0.3
145.02885	0.4
145.08554	0.6
149.99568	0.3
150.03119	0.5
151.00259	0.9
159.04405	0.6
161.02373	2.6
162.02734	0.7
163.00302	0.3
165.01869	2.9
165.05513	0.9
179.03546	0.6
183.04422	2.5
187.03958	0.4
191.05463	0.4
193.01306	0.9
199.03963	0.4
211.03932	2.2
212.04446	0.4
226.02547	0.5
227.03461	4.9
228.04192	0.6
240.04312	0.3
241.05147	0.6
243.06606	0.5
255.02966	48.3
256.03406	4.4
264.38126	0.3
269.04495	1.0
271.06079	1.8
283.02472	100.0
284.02948	11.0
298.04822	60.4
299.05447	15.5
300.05829	0.9
341.06757	0.4
487.55942	0.3
589.15167	0.9
607.16602	0.4
721.26166	0.4
753.22437	53.9
754.22833	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	751.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43652	1.8
56.45815	1.6
57.03335	1.9
59.01249	25.4
61.98716	10.1
69.03314	2.4
71.01249	13.4
71.49720	1.8
71.50105	2.6
72.27415	1.8
73.02809	4.0
78.95750	5.2
80.96394	3.0
81.03312	2.3
83.04896	4.8
85.02824	6.2
89.02311	7.6
91.85720	2.0
95.04877	4.6
96.17016	1.8
97.02781	2.0
101.02341	9.8
109.06458	4.0
111.08026	6.0
113.02315	5.5
119.03448	1.6
123.08096	2.7
129.31590	1.9
145.04961	1.8
152.99486	3.8
161.02332	4.1
161.04466	4.0
161.13275	1.8
167.10666	5.8
171.10164	4.5
175.11041	1.8
177.12772	7.9
179.14262	3.2
182.48128	2.0
183.13719	2.0
191.05618	2.5
193.12180	2.4
195.13837	22.3
196.14252	2.3
197.11734	7.0
203.10742	5.0
205.12320	4.8
207.10237	3.0
209.11693	3.0
211.13339	8.0
221.11789	68.8
222.12082	4.2
223.13371	56.1
224.13721	4.7
235.08220	5.8
239.12857	100.0
240.13171	7.9
253.09276	27.5
275.20145	6.8
291.19678	48.8
292.19907	4.5
293.21234	88.4
294.21521	8.2
299.01974	2.1
335.32471	2.2
457.20496	7.7
475.21857	14.4
503.22171	2.4
587.81128	2.0
605.65417	1.9
704.70447	2.1
751.42609	9.7
752.43323	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	751.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
56.85405	0.2
57.03315	1.0
58.00467	0.3
59.01250	6.7
61.98700	1.9
62.56665	0.2
69.03329	2.3
71.01251	5.0
71.04900	0.7
71.49609	0.5
73.02807	1.2
78.95772	0.4
81.03338	0.4
83.01261	0.3
83.04891	1.1
85.02816	1.3
85.06451	0.6
87.00748	1.1
89.02312	3.6
93.03332	0.4
95.01237	0.5
95.04853	0.6
97.02825	1.4
97.06444	0.5
99.00701	0.3
101.02324	4.9
109.06477	0.8
110.20410	0.3
111.08041	6.7
113.02335	2.8
119.03374	1.0
123.08024	0.4
125.02359	0.4
125.09612	0.9
133.02864	0.5
135.11674	0.4
137.09648	0.3
141.09111	0.6
143.03392	0.4
145.04984	0.8
149.09615	0.9
151.11177	0.7
153.09090	0.5
153.12752	0.7
161.02330	0.7
161.04477	2.1
161.13255	0.4
161.41832	0.3
163.11188	0.9
165.12779	0.7
167.10687	3.1
169.12267	2.6
171.10208	1.1
177.12726	0.8
179.03329	0.3
179.05537	0.8
179.10713	1.8
179.14377	3.3
180.14670	0.4
181.12233	0.9
183.13837	0.6
193.12282	0.5
195.13832	9.8
196.14188	0.8
197.11755	31.3
198.12144	1.9
199.13316	1.7
205.12279	9.6
206.12529	0.7
207.10210	0.7
209.11778	1.0
209.87849	0.3
211.13358	3.4
212.13606	0.4
221.11771	1.3
223.13342	100.0
224.13675	7.0
225.14940	0.5
227.12872	1.0
235.08192	5.2
236.08546	0.4
239.12892	0.5
247.20616	0.8
249.14923	0.6
253.09256	14.8
254.09607	1.0
263.20126	1.6
265.18115	0.9
273.18689	0.5
289.18127	0.3
291.19659	16.3
292.20001	2.1
293.21213	0.9
307.19272	0.3
309.20706	48.1
310.21045	5.5
433.20444	0.4
441.21545	0.6
459.22318	9.4
460.22528	1.2
485.58478	0.3
515.33685	0.6
527.28760	0.4
545.29559	1.7
751.40588	1.0
752.30414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.9
61.98699	100.0
62.98382	0.4
63.99121	0.5
70.19693	0.3
70.70905	0.7
70.71236	0.4
71.01257	3.5
73.02831	0.7
75.00731	0.5
83.04885	0.6
85.02821	1.3
87.00780	0.6
88.98672	0.4
89.02298	2.3
89.98840	0.3
93.03340	0.5
95.01265	0.6
95.31181	0.3
96.95914	0.7
97.02861	0.6
101.02338	1.6
109.06494	0.5
113.02345	1.1
119.03380	0.8
125.02310	0.5
133.02849	0.8
135.04411	1.2
149.04509	0.4
159.04428	0.4
161.02328	2.4
161.04523	0.4
162.02797	0.4
163.07657	0.4
171.10286	0.6
179.03444	0.6
181.12329	0.4
187.03918	0.5
187.07607	0.6
191.05499	0.9
195.13892	0.9
201.05536	0.4
207.10182	0.6
209.11777	3.8
211.13313	0.6
215.07095	0.4
223.13428	0.5
225.11244	0.7
229.08763	0.6
230.09546	0.6
235.08281	0.6
253.09451	0.8
275.20209	0.6
275.94934	0.3
276.77899	0.4
287.16550	0.6
293.21231	11.3
294.21671	1.3
326.87970	0.3
397.13409	3.2
398.14008	0.5
415.14450	3.6
503.32288	0.5
751.39233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73188	1.0
57.03298	1.4
59.01249	21.6
59.91644	1.2
61.98702	20.3
69.03333	1.1
71.01254	16.6
71.01859	1.1
71.04906	1.2
71.50793	1.5
71.81087	1.2
72.99163	1.5
73.02811	4.6
81.03329	2.9
81.60121	1.3
83.01258	2.2
83.04874	7.5
84.02029	2.2
85.02820	5.2
87.00736	3.6
89.02312	9.4
93.03326	2.5
95.04929	1.5
96.95890	11.8
99.00755	2.9
100.01357	1.1
101.02322	10.9
104.29599	1.2
113.02326	7.6
119.03382	1.7
123.04409	7.8
125.02283	1.6
133.02838	3.2
134.03600	3.7
135.04391	3.7
135.08043	1.2
137.02339	2.7
149.04430	3.0
150.04915	1.2
151.11165	2.6
153.12689	1.6
161.02347	7.1
161.04428	2.4
163.11238	5.6
165.01831	2.0
165.12714	3.3
167.03416	3.4
169.12254	42.0
170.12505	1.6
171.10176	1.4
173.04462	2.5
177.01874	1.8
178.02629	3.8
179.03445	3.9
179.05513	1.2
181.12257	1.6
191.05518	8.2
191.10599	1.4
193.01350	1.8
197.11763	78.1
198.12085	4.7
201.09300	1.3
202.06400	1.2
209.11765	100.0
210.12080	9.1
221.00832	1.8
221.48561	1.2
225.11201	1.8
227.12810	7.1
231.10292	1.5
251.05611	2.8
253.09306	4.8
275.09207	2.9
283.02356	1.6
341.26611	1.2
471.25070	1.2
503.32791	1.5
545.20459	1.3
610.19470	1.9
610.69708	1.3
619.30371	2.7
631.37823	1.3
642.73383	1.4
647.36218	7.4
649.38348	1.3
665.37579	5.8
687.32300	33.3
688.32526	5.6
707.38300	2.1
719.34973	59.7
720.35345	12.7
721.90015	1.4
751.27295	2.2
751.37628	61.0
752.37805	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	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	0.8
59.01254	16.7
61.98706	71.8
69.03320	1.0
71.01254	14.1
71.42682	1.3
72.99174	1.9
73.02822	2.3
75.00772	0.6
78.79253	0.6
78.95785	1.2
81.03356	0.8
83.01232	1.5
85.02835	3.8
87.00754	2.3
88.98677	0.7
89.02322	11.2
95.01269	1.2
97.02843	1.8
99.00762	1.0
101.02325	9.3
105.03954	0.6
111.00777	1.1
113.02336	4.3
115.07551	0.5
116.92748	1.0
119.03403	3.2
120.29115	0.6
125.02364	3.5
133.02876	1.1
135.04428	0.7
141.09145	0.8
143.03375	1.1
149.04451	1.4
159.54616	0.6
161.02376	3.5
161.04494	2.5
171.10095	0.9
172.59708	0.7
173.04576	0.6
179.03377	1.7
179.05542	2.6
181.12393	0.6
191.05539	1.4
195.13863	8.8
196.14444	1.0
202.06259	0.7
204.78789	0.6
209.11691	2.8
211.13341	0.9
217.29942	0.7
221.06607	1.4
223.13364	5.7
224.13712	0.9
225.11189	0.8
235.08206	2.8
253.09355	1.2
256.12958	0.6
263.07492	0.6
275.20203	3.7
276.20584	0.7
287.07919	0.8
287.16425	0.8
293.21234	100.0
294.21570	9.0
305.08765	1.1
345.20755	0.6
359.86703	0.7
378.58368	0.6
396.44086	0.7
397.13516	25.2
398.14001	2.2
415.14575	29.6
416.14981	2.4
503.32333	0.8
654.27020	1.2
691.35541	2.7
699.27539	0.7
751.40057	0.6
769.04291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88327	0.1
53.92045	0.1
59.01252	1.0
59.25574	0.1
61.92011	0.1
61.98705	100.0
71.01244	0.6
71.50697	0.2
72.91163	0.1
78.95807	0.1
83.04880	0.1
88.98696	0.2
89.02331	0.2
90.69328	0.1
93.03353	0.3
96.95887	0.1
101.02366	0.3
106.11051	0.1
111.08041	0.2
113.02332	0.1
131.53061	0.1
133.02847	0.3
135.04439	0.3
139.15244	0.1
161.02402	0.8
163.11224	0.2
171.10323	0.2
179.03461	0.4
191.05530	0.3
197.11888	0.2
203.03474	0.2
209.11774	0.7
292.19965	0.2
293.21140	0.2
397.13776	0.3
438.40833	0.2
497.50409	0.1
580.01489	0.2
669.25623	0.2
763.81586	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	751.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
59.01251	6.1
60.99173	2.3
61.98703	1.5
63.02262	3.2
65.00189	5.9
67.01763	8.2
69.00666	0.7
69.03339	3.1
69.73856	3.7
69.74268	1.1
70.32610	0.7
71.01273	6.5
73.02830	1.2
81.03314	2.3
82.16748	0.7
83.01254	3.5
83.04900	3.1
85.02834	3.6
87.00760	8.7
89.02335	1.0
93.03336	53.1
94.03705	1.7
94.20588	0.8
96.95924	0.9
97.06465	1.6
98.20544	0.9
101.02382	1.1
105.03335	2.3
107.01279	13.3
109.02827	2.0
111.00744	1.0
111.04401	9.8
111.88768	0.8
113.02338	2.6
116.92767	1.0
117.03339	1.1
121.02834	13.3
123.04413	3.8
125.02322	2.1
127.03857	1.4
129.01852	1.4
133.02841	12.6
134.03629	41.6
135.04456	12.1
137.02362	7.4
138.32774	0.8
139.03943	1.7
145.02876	2.0
149.02356	3.7
149.04393	1.2
150.03108	1.7
151.00275	43.8
151.03828	1.9
152.00679	0.9
155.03383	6.3
160.01605	2.2
161.02353	13.2
162.03140	38.4
163.03583	1.9
165.01843	1.1
165.05417	1.5
167.03423	1.9
169.01381	2.3
173.04472	83.9
174.04799	2.4
175.03957	0.9
177.01854	6.3
178.02632	4.6
178.99774	19.2
179.03366	4.6
180.00266	1.0
191.05530	23.3
191.07169	1.5
192.05930	1.0
193.01387	2.1
194.02013	1.3
229.04936	1.5
229.08344	0.9
231.10280	5.0
245.04588	0.9
255.03156	1.1
257.08221	1.4
273.04001	3.0
275.09253	93.6
276.09567	7.2
283.02441	1.2
301.03525	100.0
302.03854	7.6
351.07202	1.3
352.08261	1.4
449.14505	75.4
450.14978	9.9
661.95050	0.9
719.23505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86977	0.3
59.01252	3.0
61.98711	2.0
69.03326	0.4
71.01249	2.0
71.49604	0.4
71.49994	0.4
72.99178	3.2
73.02793	0.4
75.00746	100.0
76.01102	1.0
78.95782	1.0
83.01247	0.4
83.04887	0.5
85.02806	0.4
87.00771	0.6
89.02341	1.9
93.03316	0.4
96.95892	0.8
97.02806	0.7
97.06499	0.4
101.02341	2.0
109.06479	1.3
111.08049	0.4
113.02358	0.7
123.04430	0.8
123.08048	0.4
125.09621	0.5
161.02295	0.4
161.04507	0.4
161.09674	0.5
163.11241	0.9
167.22787	0.3
171.10208	0.7
179.05627	0.3
179.10670	0.7
185.11824	0.4
193.12268	0.5
195.13838	0.6
197.11772	5.2
207.10201	4.0
209.11800	2.0
211.13382	0.5
221.11646	0.5
223.09769	1.0
223.13356	1.6
225.11264	2.8
227.12883	0.4
235.08240	1.1
253.09235	1.7
277.21738	3.3
278.22226	0.5
289.18051	1.8
290.18365	0.9
291.19669	1.9
307.19144	1.8
309.20767	0.8
317.17703	0.3
397.13501	7.1
398.13855	0.8
415.14474	2.2
416.14862	0.3
461.20001	0.7
730.40973	0.4
751.39130	7.5
752.39526	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	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04266	0.1
59.01263	1.5
59.43651	0.1
61.98705	0.9
68.73681	0.1
69.03323	0.2
71.01250	1.0
72.99184	2.8
73.02834	0.2
75.00750	100.0
76.01069	0.9
85.02829	0.2
87.00769	0.5
89.02327	0.9
92.34218	0.1
101.02336	1.0
113.02346	0.6
125.02354	0.3
161.04477	0.2
169.76266	0.2
171.10176	0.3
179.05534	0.2
207.10216	0.2
209.11806	0.2
223.09732	0.3
225.11394	0.3
235.08235	0.7
257.34460	0.2
277.21762	2.7
278.22144	0.4
291.19666	0.3
293.21484	0.2
305.08777	0.3
379.34418	0.1
397.13519	5.9
397.18677	0.3
398.13959	0.7
415.14658	2.1
565.27924	0.2
675.35767	0.2
751.38959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
58.00470	1.2
59.01254	23.9
61.98702	81.8
69.03307	1.4
71.01256	20.1
71.50580	1.1
72.99176	1.5
73.02818	3.3
73.22659	0.7
75.00758	0.9
78.95770	1.9
80.97067	0.8
83.01244	1.3
85.02819	5.9
87.00757	3.1
89.02310	15.7
93.03335	1.2
95.01259	1.4
96.95882	6.2
97.02840	3.5
97.06507	1.4
99.00803	1.0
101.02328	15.9
109.02812	1.2
109.06445	2.7
111.00751	0.9
111.04385	1.3
113.02329	6.9
113.09593	12.6
119.03381	5.7
119.19598	0.8
125.02341	4.3
133.02847	1.2
134.03641	1.1
135.04401	1.8
139.03902	1.3
139.11166	1.6
143.03366	2.8
144.66603	0.9
149.04485	1.2
161.02333	3.0
161.04436	2.9
167.10681	1.0
171.10164	2.9
173.05980	1.2
177.01810	0.9
179.03415	2.0
179.05499	3.2
179.10692	2.0
187.03958	0.9
187.07516	1.9
191.05476	1.3
195.13834	2.6
201.05417	1.1
207.10204	3.4
209.11729	8.5
210.12129	0.9
211.13359	1.5
215.07095	1.3
223.13292	1.1
225.11235	3.5
229.08412	1.1
230.09409	1.4
235.08168	5.9
249.22229	1.7
253.09256	3.3
275.20224	1.7
283.13208	1.3
287.07715	1.4
287.16446	1.1
293.21213	100.0
294.21591	10.0
305.08862	2.4
305.17664	1.4
380.17407	0.9
395.22040	1.1
397.13467	53.7
398.13507	5.1
400.80798	1.2
415.14554	27.4
416.15216	2.5
447.77826	0.9
451.62238	1.1
464.87692	0.9
474.89163	1.1
566.70288	0.9
691.35352	5.3
733.39093	1.0
751.39124	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	750.226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24145	0.1
59.01251	7.0
60.01587	0.5
61.01672	0.2
61.98704	100.0
71.49556	0.2
78.95811	0.2
80.96394	0.2
114.42166	0.1
133.02840	0.2
150.20944	0.1
161.02371	0.4
179.03477	0.2
311.88025	0.1
441.25497	0.2
513.14105	0.3
514.13318	0.3
515.14130	0.5
516.87701	0.2
528.15295	0.4
529.15826	0.4
530.16193	0.2
602.18506	0.2
604.20056	0.2
615.20984	0.5
616.20178	1.5
617.20520	3.4
618.21173	0.3
625.09430	0.2
648.19177	0.3
649.20117	0.6
673.13599	0.2
690.24286	0.3
749.25507	0.3
750.24719	4.6
751.24371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
55.28204	0.7
57.03323	1.1
58.00468	4.8
59.01251	100.0
60.01590	1.6
61.98693	3.5
69.61877	5.3
71.01254	69.9
72.01604	1.4
72.99182	7.3
73.02814	1.3
83.01259	3.2
85.02826	12.8
87.00764	4.9
89.02319	83.3
89.05064	0.8
90.02651	1.6
93.03358	3.9
95.01273	5.6
97.39523	0.7
101.02325	45.1
102.02662	1.5
111.04388	0.8
113.02329	30.1
114.02715	1.2
119.03394	42.7
120.03734	1.0
121.02834	5.2
121.72312	0.7
122.03625	5.9
123.04391	1.2
125.02294	1.1
131.03368	4.0
133.02820	1.2
135.04388	1.9
137.02325	1.5
139.96233	0.9
143.03397	8.0
145.02820	1.1
146.03601	2.8
149.01236	1.3
149.02356	13.1
149.04436	6.9
150.03134	37.0
150.04344	1.9
151.03705	1.4
155.03372	1.1
157.84952	0.8
159.04410	3.4
160.01524	1.8
161.02431	0.9
161.04437	6.1
162.03081	0.8
163.03912	1.5
164.04648	1.8
165.01788	1.2
165.05486	33.6
165.06873	1.6
166.05875	2.2
173.04477	5.2
177.05421	1.3
179.03383	1.3
179.05568	14.9
179.07072	2.1
180.04288	1.5
180.05833	0.8
187.07671	1.2
191.05537	8.6
195.06544	24.9
196.06871	2.0
197.63857	0.8
201.84114	0.8
223.07541	0.8
223.09654	1.2
240.25851	0.8
250.06313	2.4
251.07108	11.8
252.07869	14.3
253.08591	3.4
255.06409	1.0
270.09015	1.9
285.11346	1.7
295.06030	1.2
296.06909	1.0
298.08426	2.6
310.08411	1.4
313.10815	1.6
325.10965	1.7
326.07928	1.5
326.11411	1.2
340.12988	1.6
341.10257	15.7
342.10858	1.2
356.12674	7.7
357.12930	1.0
371.14963	29.9
372.15234	3.4
432.14154	6.1
433.14224	1.3
470.12170	7.0
471.12390	1.3
519.20288	11.3
520.20416	3.4
573.19806	3.0
650.18750	1.7
747.27148	4.7
748.27625	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	747.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
59.55968	0.5
63.96116	1.3
71.01255	8.6
71.29861	0.5
73.02808	1.8
78.95792	1.1
78.98463	4.9
79.95152	0.5
79.95603	11.2
80.96391	69.8
81.03321	0.7
85.02803	2.7
87.00760	3.1
89.29977	0.6
90.64246	0.5
94.97959	16.5
96.95871	1.4
97.02826	0.8
101.02312	2.2
106.97961	4.0
122.97483	3.3
125.02317	2.4
127.03878	0.7
134.97453	5.0
136.99037	1.9
148.99036	6.3
152.98503	6.2
152.99539	0.7
164.98540	11.6
167.65102	0.5
188.98593	0.7
206.99615	2.5
209.11755	0.9
225.00691	18.1
255.23259	2.3
281.03165	0.6
281.24957	0.8
298.69745	0.6
323.28455	0.6
339.56232	0.6
412.09860	0.7
491.15695	2.1
537.27588	1.2
747.39917	100.0
748.40216	24.3
763.55652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01576	1.0
60.25153	0.5
61.98694	0.7
69.93348	2.5
70.11871	0.5
71.01269	0.7
72.75589	0.4
78.95779	1.2
79.05218	0.5
80.77801	0.5
84.92554	0.5
96.55526	0.5
96.68530	0.4
183.09337	0.5
208.54326	0.5
242.12360	0.5
281.24799	0.8
385.76938	0.5
440.15112	0.6
453.11954	0.7
455.17282	3.2
456.17615	0.6
459.16431	0.7
467.13419	0.7
469.11060	0.7
473.18167	5.0
483.12799	1.1
496.14133	2.4
497.12378	0.5
499.15817	0.6
510.15448	1.3
511.15735	1.7
512.13318	11.4
513.13495	2.3
525.13971	0.9
526.14929	13.4
527.15320	2.8
555.15363	0.7
569.16699	1.5
586.16986	1.1
599.18475	1.0
600.18811	1.8
601.19348	4.5
602.19983	0.6
612.20416	0.6
613.19409	2.3
614.20166	83.7
615.20459	17.5
617.60211	0.6
618.15900	1.0
629.22760	0.6
632.17303	1.5
646.19080	10.8
647.19806	2.3
673.20978	1.1
687.23047	6.5
688.22906	1.3
747.25214	62.8
748.25482	17.0
753.81311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
55.28204	0.7
57.03323	1.1
58.00468	4.8
59.01251	100.0
60.01590	1.6
61.98693	3.5
69.61877	5.3
71.01254	69.9
72.01604	1.4
72.99182	7.3
73.02814	1.3
83.01259	3.2
85.02826	12.8
87.00764	4.9
89.02319	83.3
89.05064	0.8
90.02651	1.6
93.03358	3.9
95.01273	5.6
97.39523	0.7
101.02325	45.1
102.02662	1.5
111.04388	0.8
113.02329	30.1
114.02715	1.2
119.03394	42.7
120.03734	1.0
121.02834	5.2
121.72312	0.7
122.03625	5.9
123.04391	1.2
125.02294	1.1
131.03368	4.0
133.02820	1.2
135.04388	1.9
137.02325	1.5
139.96233	0.9
143.03397	8.0
145.02820	1.1
146.03601	2.8
149.01236	1.3
149.02356	13.1
149.04436	6.9
150.03134	37.0
150.04344	1.9
151.03705	1.4
155.03372	1.1
157.84952	0.8
159.04410	3.4
160.01524	1.8
161.02431	0.9
161.04437	6.1
162.03081	0.8
163.03912	1.5
164.04648	1.8
165.01788	1.2
165.05486	33.6
165.06873	1.6
166.05875	2.2
173.04477	5.2
177.05421	1.3
179.03383	1.3
179.05568	14.9
179.07072	2.1
180.04288	1.5
180.05833	0.8
187.07671	1.2
191.05537	8.6
195.06544	24.9
196.06871	2.0
197.63857	0.8
201.84114	0.8
223.07541	0.8
223.09654	1.2
240.25851	0.8
250.06313	2.4
251.07108	11.8
252.07869	14.3
253.08591	3.4
255.06409	1.0
270.09015	1.9
285.11346	1.7
295.06030	1.2
296.06909	1.0
298.08426	2.6
310.08411	1.4
313.10815	1.6
325.10965	1.7
326.07928	1.5
326.11411	1.2
340.12988	1.6
341.10257	15.7
342.10858	1.2
356.12674	7.7
357.12930	1.0
371.14963	29.9
372.15234	3.4
432.14154	6.1
433.14224	1.3
470.12170	7.0
471.12390	1.3
519.20288	11.3
520.20416	3.4
573.19806	3.0
650.18750	1.7
747.27148	4.7
748.27625	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	74.2
61.85323	4.9
61.98703	25.1
71.01237	6.8
78.69485	4.3
78.95767	5.8
88.98676	25.9
89.02315	5.5
93.03334	5.7
109.53917	4.1
111.64242	4.4
112.23502	4.4
124.27267	4.1
129.30051	4.8
133.02831	12.7
135.04372	7.1
139.10898	4.5
161.02365	30.6
173.05959	4.9
179.03371	10.5
191.05476	5.5
198.07098	5.0
225.79634	4.9
255.23235	7.4
260.14523	5.1
281.24826	10.8
327.16205	6.0
392.02756	4.8
407.15448	9.4
495.16675	13.6
497.14896	6.9
499.15881	5.8
523.16113	17.4
526.14880	20.3
527.14636	5.7
541.21021	7.2
569.16766	20.2
570.13849	8.0
596.19354	40.1
597.19800	36.1
598.19989	10.7
601.23169	63.0
602.23315	20.2
612.18469	44.0
613.18915	16.3
614.19867	13.6
615.21515	6.1
624.20251	6.3
627.20673	11.1
628.19049	13.5
631.23920	14.6
632.21820	6.3
655.20435	65.6
656.20709	13.8
657.22327	14.0
672.20789	100.0
673.20905	26.9
675.23126	6.7
687.22968	26.5
688.23145	13.5
747.35132	16.7
747.85675	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	745.329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89151	0.6
59.01249	1.5
71.01253	3.3
71.01582	0.5
73.02824	2.4
78.47037	0.6
85.02853	0.8
87.00764	1.6
89.02315	17.3
93.03338	1.0
101.02270	0.7
103.03893	1.0
103.57056	0.5
108.02083	0.6
113.02264	0.6
119.04914	50.0
120.05246	1.7
131.03407	6.3
135.80649	0.6
145.02876	0.9
149.04462	100.0
150.04799	3.2
163.03917	68.6
164.04280	3.5
189.12868	0.6
191.05537	3.3
215.53125	0.6
295.08240	30.2
295.11639	1.9
296.08594	1.8
403.16003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5029
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
65.11335	5.8
71.48487	11.9
78.95791	47.3
80.96394	6.1
112.11505	7.3
152.99504	45.7
253.21785	11.0
255.23216	33.6
255.75627	8.1
279.23300	18.3
281.24857	100.0
379.20743	6.1
475.02130	7.3
476.77206	7.0
509.28726	42.7
745.50311	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	28.9
61.98701	4.8
69.83781	9.2
71.01253	17.1
72.99172	2.5
73.02794	2.1
75.00716	2.0
85.02818	7.0
87.00750	5.3
89.02309	17.1
93.03330	16.2
96.95885	3.5
101.02337	17.1
109.02873	3.0
110.00018	2.3
111.04408	10.6
113.02337	3.7
117.03374	2.8
119.03360	7.3
119.04887	12.1
121.02852	7.3
133.02840	4.8
134.03609	4.8
135.00783	3.2
135.04393	9.5
137.02318	8.6
139.77705	2.5
145.02797	5.5
146.03600	5.2
149.02344	23.1
149.04494	5.5
149.05804	2.4
150.03125	79.1
151.03816	8.8
155.03404	10.1
157.82314	2.4
161.02316	7.9
163.03915	11.2
165.02028	2.6
165.05457	3.4
173.04459	29.5
179.03418	7.3
181.04996	3.5
187.07487	3.8
191.05545	26.7
192.05775	2.6
193.04991	5.1
211.71735	2.8
223.07602	7.2
227.07008	4.2
239.06981	2.5
241.05025	2.7
243.32495	2.4
251.04475	5.2
251.07108	100.0
252.07800	28.6
253.08714	4.8
255.06602	42.9
256.06952	5.6
267.06659	5.3
279.17679	2.5
284.06870	4.6
295.05923	2.3
296.06882	88.4
297.07626	51.9
298.08078	3.3
299.01743	4.9
321.15060	3.1
337.09286	2.5
365.13934	5.6
432.14240	4.3
454.38651	2.7
470.12143	69.9
471.12933	26.7
473.46448	2.5
476.13214	7.4
498.23041	2.7
545.20215	4.8
573.19733	37.6
574.20160	4.8
605.79480	3.1
615.21875	2.8
650.18439	86.8
650.29242	4.6
651.18658	11.4
747.24518	16.6
748.25751	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.9
58.00466	6.2
59.01250	100.0
61.98694	3.6
69.15691	10.8
71.01251	71.3
72.01592	1.7
72.99182	4.3
73.02804	1.9
83.01274	1.8
85.02822	12.1
87.00740	3.9
89.02315	82.1
90.02634	1.6
93.03327	6.9
95.01257	5.2
95.59621	1.1
96.95835	1.3
101.02322	37.9
101.41989	1.0
102.18417	1.0
108.02065	1.3
109.02853	1.2
111.04407	1.3
112.50873	0.9
113.02325	26.3
119.03390	35.9
120.01137	2.2
121.02833	10.4
122.03625	15.6
123.04377	2.1
124.01596	1.2
125.02338	1.3
127.03870	1.2
131.03404	3.5
132.02043	1.3
133.02849	3.3
134.03615	1.4
135.04431	7.4
136.01553	13.1
137.02301	3.2
143.03435	5.4
144.84546	1.1
149.02351	26.0
149.04346	5.7
150.03130	93.7
151.00275	2.8
151.03929	14.3
152.01163	1.3
155.10638	1.5
161.02362	3.4
161.04492	5.9
161.05646	1.1
162.03140	1.3
162.07971	1.1
163.03899	3.4
164.04721	6.1
165.05476	93.2
166.02634	9.5
166.05782	3.5
167.03397	1.4
173.04495	1.7
175.03938	1.9
177.05573	1.4
179.03418	2.1
179.05531	12.6
180.04166	5.4
181.04962	11.4
187.03871	1.2
187.07516	1.1
189.05499	3.1
190.06281	4.4
191.05524	29.7
192.05898	2.0
195.06552	55.1
196.06897	1.9
199.09613	1.1
209.69301	1.2
253.08722	1.8
268.07355	2.2
280.07397	2.1
282.05441	1.4
283.09863	1.5
293.08038	1.1
296.06863	1.8
308.06760	2.2
309.07483	2.5
311.09232	3.0
315.08731	1.4
322.08417	2.8
323.09189	4.5
324.06393	2.4
324.09848	1.9
329.10394	1.3
337.10696	1.1
339.08737	19.1
340.09137	1.8
342.11105	1.6
352.08173	1.4
354.10831	4.7
356.12592	1.4
357.09595	2.1
357.13443	6.2
369.13391	33.4
370.13721	3.6
372.12143	1.6
373.12622	1.6
386.13608	1.5
387.14484	31.8
388.14944	2.5
435.14563	1.5
439.13855	4.7
505.18689	2.8
510.17670	1.1
517.18433	1.7
535.19702	41.8
536.19958	6.3
565.20721	1.9
583.12653	1.1
583.21802	23.5
584.22015	3.4
613.18781	1.7
745.23914	2.1
762.86798	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	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75065	0.6
55.01755	0.7
57.03305	1.1
58.00460	4.2
59.01250	100.0
60.01587	0.9
61.98698	1.8
66.17893	0.8
69.26659	4.3
69.27080	1.9
71.01254	66.0
72.99173	5.6
73.02825	0.9
83.01273	2.5
85.02823	11.8
87.00738	4.2
87.11752	0.7
89.02317	80.6
93.03326	3.2
95.01247	3.8
96.31671	0.7
99.00797	0.7
101.02325	40.0
113.02334	27.4
119.03390	34.5
121.02860	3.0
122.03646	5.6
131.03397	3.6
133.02873	1.2
134.03619	0.8
135.04424	0.8
136.01569	1.1
143.03409	6.4
149.02350	9.9
149.04408	4.1
150.03130	31.9
151.03793	1.2
160.01610	1.0
161.02362	1.1
161.04446	3.7
164.04694	2.2
165.01787	1.0
165.05482	28.3
166.05843	1.3
173.04549	1.2
179.05554	10.2
179.06985	1.4
180.04236	1.5
191.05554	8.4
191.07150	0.9
195.06549	20.6
196.06990	0.8
207.06540	0.8
240.07924	0.8
243.06612	0.8
253.08888	0.9
268.07504	1.2
273.99631	0.6
280.07498	2.0
280.10312	0.9
283.09735	1.2
296.06967	1.8
308.06967	2.2
309.07730	2.2
311.09311	2.9
314.93155	0.7
322.08582	1.1
323.09366	4.0
324.06601	1.7
324.09879	1.1
338.11597	1.6
339.08755	15.9
339.12598	1.1
340.09155	1.9
354.11008	5.3
355.12057	1.0
369.13422	28.9
370.13647	3.6
517.18549	8.6
518.19659	1.1
568.61871	0.8
576.59906	0.8
745.27252	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06421	1.4
52.11124	1.3
56.54097	1.4
57.03323	1.6
59.01256	43.0
61.98708	44.8
63.37147	1.6
64.47588	1.4
71.01263	8.6
71.50369	1.5
78.95782	6.0
85.02827	4.0
87.00788	1.8
89.02312	3.4
96.95907	2.6
97.06479	2.2
101.02348	4.2
113.02347	4.2
115.80099	1.6
116.92760	3.0
127.11237	2.0
129.54799	1.4
135.04391	3.5
151.11215	5.4
153.22502	1.6
161.02391	4.7
169.12256	30.2
170.12622	3.0
171.10194	72.2
172.10501	3.5
179.03416	3.2
195.13889	3.6
197.11766	2.8
202.06113	1.6
206.30176	1.8
209.11838	5.5
211.13281	2.1
213.11314	2.8
223.13277	1.6
231.12378	3.4
235.08147	3.0
253.09238	5.4
275.20139	2.2
293.21289	12.2
344.17285	1.8
374.84714	1.6
449.20090	1.6
467.21417	1.7
507.27075	1.8
725.41449	3.9
743.42242	100.0
744.42657	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
58.00461	1.6
59.01249	74.2
61.98692	4.6
62.69889	1.5
64.38658	1.6
64.65798	1.7
67.01759	2.3
68.99686	6.4
71.01254	48.2
71.08285	3.9
72.01470	1.4
72.99173	5.7
73.02823	2.4
85.02820	15.7
87.00760	8.6
89.02312	46.4
93.03356	9.8
95.01257	2.2
96.95911	2.1
99.00771	2.7
101.02324	26.8
104.02564	1.7
105.20370	1.9
108.02062	13.4
108.36887	1.7
109.02848	5.2
111.04413	3.7
113.02329	17.5
117.03341	2.8
119.03397	23.5
119.04927	5.0
121.02825	8.9
122.03631	11.6
123.00789	7.5
123.04401	12.6
124.01537	2.2
125.02309	3.8
127.03873	1.8
131.03415	3.0
133.02867	5.1
134.03633	6.0
135.04417	14.9
136.01559	19.9
137.02345	5.1
138.03156	7.8
143.03383	3.9
145.02872	6.8
146.03531	1.7
147.04417	2.5
149.02356	11.3
149.04463	7.0
150.03136	69.9
150.04338	3.7
151.00281	4.0
151.03946	18.7
161.02390	9.6
161.04378	4.0
162.03143	76.7
162.96439	1.7
163.03877	11.9
164.04674	2.0
165.05489	82.6
166.02588	11.6
166.05855	3.0
171.02994	1.8
173.04480	9.3
177.01926	3.8
177.05504	69.4
178.02650	14.6
178.05930	4.5
179.03387	7.7
179.05489	11.0
180.04173	7.1
181.04996	14.7
191.05547	100.0
192.05881	3.3
193.04979	32.1
194.05495	2.9
195.06557	80.2
209.11816	3.3
219.33841	1.8
227.12946	2.9
253.08694	4.2
275.09103	2.1
279.06537	2.6
296.52347	2.0
326.48917	2.0
341.10355	6.4
342.10809	2.3
352.07983	8.5
356.12582	3.0
357.09460	2.3
357.13321	9.2
371.14951	4.3
387.14526	30.7
388.14822	3.1
439.14044	14.6
531.00391	1.8
535.19434	11.4
547.19269	3.7
565.20764	16.3
583.21832	18.0
584.21832	3.3
613.19214	5.8
745.26501	31.5
746.26666	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	743.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
60.99178	17.5
61.98700	2.1
71.01250	0.7
71.49946	0.3
78.95779	0.6
85.02821	0.3
87.00766	2.2
88.00274	3.8
88.01096	0.3
88.98679	100.0
89.02316	22.6
89.99020	0.9
90.02656	0.3
97.06451	0.2
97.98107	0.2
101.29865	0.2
108.11165	0.2
109.16634	0.2
114.17387	0.2
118.10107	0.2
125.19882	0.2
152.99496	0.3
155.83936	0.2
161.02341	0.6
171.10216	0.4
178.99788	0.2
179.03529	0.3
179.05453	0.3
209.11852	0.3
255.23291	1.0
284.63544	0.3
397.13425	2.1
415.14581	0.5
415.65149	0.3
742.84406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03328	0.8
59.01250	100.0
60.01581	1.1
67.36012	0.2
69.03349	0.3
71.01254	13.0
71.49284	0.2
71.49652	0.3
72.01584	0.3
72.99175	0.5
73.02818	7.6
75.00746	0.3
75.49490	0.2
83.01265	1.7
85.02827	6.4
86.03156	0.3
87.00771	0.8
89.02321	1.7
93.03348	0.6
93.58185	0.3
95.01270	1.3
97.02849	0.7
99.00764	1.9
101.02319	10.0
101.68354	0.2
113.02328	4.6
115.74074	0.2
119.03422	0.7
119.04943	0.4
121.02876	0.4
125.02312	0.4
133.02892	0.3
134.03650	0.5
138.01860	1.5
138.06783	0.8
139.02171	0.3
143.03441	0.8
149.04539	0.6
153.09100	2.3
159.02925	0.9
161.04457	11.6
162.04831	0.2
166.00888	0.4
169.31049	0.3
173.04529	0.4
179.03453	0.3
179.05608	0.5
191.05553	1.9
193.04964	0.5
199.09784	0.3
225.14915	4.1
226.15317	0.3
227.03644	0.3
251.09270	0.4
269.10291	28.2
270.10611	1.9
284.03238	0.3
285.03860	0.4
289.12100	0.4
311.05710	0.5
311.11359	17.2
312.11490	1.1
353.95541	0.3
355.10446	0.4
387.20358	2.2
388.20447	0.3
404.09119	0.3
411.16974	0.6
615.85986	0.3
649.38824	0.3
743.19086	1.1
744.20209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55017	0.7
59.01253	5.5
61.98690	1.5
70.22961	2.7
71.01241	1.2
78.95777	35.1
79.95592	0.7
80.96394	0.8
86.29224	0.6
88.11489	0.6
89.08191	0.6
89.23930	0.6
96.96832	2.5
141.01559	2.5
152.99487	44.5
171.00528	4.0
179.03429	1.1
186.99780	0.6
209.11867	1.2
227.03218	5.7
232.97522	1.6
245.04193	1.5
253.21721	31.6
254.22029	1.6
255.23294	2.7
277.21719	84.1
278.22076	8.7
279.23264	1.8
281.24725	0.8
293.21121	1.5
295.22888	1.0
344.59494	0.6
346.94724	0.7
413.21097	2.3
463.24512	0.9
483.27505	2.1
505.25748	100.0
506.25992	13.7
673.24725	0.9
741.47253	24.8
742.47571	7.7
774.46539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
60.99170	0.6
61.98702	100.0
62.98413	0.2
69.19142	0.8
69.19563	0.3
71.01263	0.4
71.42381	0.1
73.02814	0.1
73.78555	0.1
78.95775	0.3
85.02845	0.1
87.00753	0.5
88.00285	0.5
88.98673	2.8
89.02326	0.6
94.41973	0.1
98.19752	0.3
101.02364	0.2
112.63126	0.1
113.02319	0.2
131.48622	0.1
132.23155	0.1
151.98621	0.1
161.02414	0.3
171.10219	0.6
191.05751	0.1
201.11308	0.9
202.11658	0.4
207.09964	0.1
209.11797	2.1
210.12115	0.6
218.85841	0.1
235.08287	0.1
253.09306	0.3
255.23351	0.1
275.16943	0.1
277.21747	1.6
278.22073	0.9
282.25409	0.1
293.21332	0.5
397.13626	0.2
398.13885	0.2
399.14026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70922	1.3
54.09082	1.4
57.03317	2.6
59.01252	23.6
61.98699	11.2
69.03303	1.6
71.01254	9.4
71.49643	2.3
71.50048	2.0
73.02794	2.2
75.00725	1.6
78.95765	4.8
83.01237	2.2
85.02832	3.0
86.13087	1.6
89.02322	4.1
97.06455	6.3
101.02316	6.8
111.08034	5.2
113.02332	4.8
121.02935	1.7
124.90562	1.3
151.11221	15.7
152.99530	2.4
160.16786	1.5
161.02365	2.6
161.04448	2.2
163.11174	1.5
167.10730	1.6
169.12263	71.9
170.12587	2.3
171.10173	1.7
180.43251	1.3
185.11749	4.6
187.26248	1.4
195.13733	2.7
197.11787	25.9
199.13309	3.5
204.07796	1.4
209.11752	22.1
210.12192	3.3
211.13295	5.4
213.11217	10.2
225.11220	2.1
227.12842	5.1
228.13120	1.9
253.09285	6.6
277.21674	5.5
291.19620	5.9
293.21188	5.3
294.21674	2.9
295.22733	14.1
309.20761	7.1
385.52969	1.6
431.19150	2.7
449.20303	4.7
463.21579	1.6
505.25443	2.4
683.62671	1.9
741.40607	100.0
742.40845	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	741.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31630	0.4
57.03318	0.9
57.21461	0.5
59.01250	6.9
60.01589	0.5
60.19206	0.5
61.98701	83.6
62.55685	0.5
65.28918	0.5
69.98975	2.5
71.01260	3.6
73.02818	0.9
78.95780	1.6
80.02550	1.0
81.03334	0.6
83.01258	0.6
83.04882	3.4
84.02077	0.5
85.02809	0.5
87.00764	0.9
89.02324	2.5
95.04936	0.5
95.61250	0.5
98.19835	0.7
101.02310	2.7
113.02336	1.6
113.09641	1.4
117.37448	0.5
119.03393	1.1
150.91937	0.5
152.99500	1.3
161.04469	1.8
163.11186	3.0
165.12804	1.2
177.12865	0.5
179.05504	0.6
179.14282	0.6
181.12317	0.8
191.05583	0.7
195.13853	12.2
196.14081	0.8
197.11795	0.7
209.11769	88.7
210.12129	7.3
211.13464	1.3
227.12830	11.3
228.13229	1.2
229.13557	0.6
235.08208	1.8
253.09273	14.8
254.09589	1.1
277.21725	12.7
278.22137	1.3
291.19641	0.7
293.21216	2.0
294.21542	1.3
295.22781	100.0
296.23148	10.0
300.02744	0.5
417.45523	0.5
425.72021	0.5
445.20892	0.8
487.34518	1.1
505.25821	1.0
531.31885	0.9
552.63098	0.5
741.42010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09458	1.1
59.01246	7.9
59.88586	1.2
61.98700	12.5
67.01752	2.8
68.58042	1.3
69.03337	1.4
71.01256	6.7
71.50835	1.7
73.02847	1.5
78.95761	3.2
83.04873	2.2
85.02821	4.3
87.00738	3.3
89.02307	3.3
93.03333	14.7
96.95889	3.2
101.02297	4.0
111.04385	2.5
113.02290	3.3
119.04895	9.1
133.02882	3.4
135.04404	4.0
136.05336	1.3
137.02306	1.3
149.04459	2.6
150.06764	5.1
154.83545	1.2
155.03357	1.5
155.10660	2.9
161.02350	4.6
163.03897	8.3
163.11198	2.3
165.12767	2.0
171.10204	1.9
173.04469	59.6
174.04785	2.0
177.09140	1.7
179.03328	2.9
179.10657	3.1
191.05539	12.4
195.10284	1.5
199.09721	1.6
207.10284	1.8
209.11772	100.0
210.12091	4.4
212.58580	1.3
215.09206	2.6
225.11234	3.1
227.12830	24.9
228.13268	2.3
230.09322	1.8
235.08232	2.8
253.09380	7.9
253.21645	1.6
277.21683	1.6
300.02527	1.4
304.85306	1.3
337.09314	11.9
343.21683	1.6
343.74426	1.5
396.22897	1.3
445.20651	8.4
446.21371	1.6
492.34341	1.6
493.35443	11.8
494.36249	1.4
505.25397	3.9
626.43884	1.6
655.33112	1.5
676.15607	1.6
697.39227	1.8
741.34662	16.9
742.34998	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
55.33823	0.7
57.03322	2.7
59.01251	18.8
61.98709	9.9
64.58255	0.7
69.03319	1.0
70.55276	1.8
70.55630	1.2
71.01253	7.1
71.38171	0.8
72.99198	0.7
73.02795	1.4
75.00758	0.8
78.95763	2.6
81.03330	1.1
83.01243	1.2
83.04903	2.2
85.02815	2.7
87.00736	1.5
88.98702	0.8
89.02312	2.6
95.04866	1.4
96.95865	1.2
97.02831	1.8
97.06480	5.9
101.02322	5.2
109.06463	1.4
111.08041	3.4
113.02318	3.6
119.03426	1.0
125.09622	0.8
137.09615	1.0
151.11185	15.6
152.99490	1.4
161.04462	1.6
163.11150	0.9
169.12256	76.1
170.12590	4.9
171.10127	2.3
179.05417	1.3
185.11859	1.0
193.12349	0.9
195.10210	1.8
195.13737	1.1
197.11780	16.5
198.12212	1.1
199.13284	1.2
207.10205	0.9
209.11765	9.2
210.12093	1.0
210.31419	0.7
210.87343	0.7
211.13319	3.1
213.11272	9.7
227.12859	1.6
235.08122	1.3
236.83496	0.7
247.20448	0.8
253.09283	6.1
266.70065	0.8
277.21695	2.2
291.19727	5.6
293.21344	1.2
295.22766	6.3
309.20691	8.4
310.20795	0.9
327.21683	0.7
396.58908	0.8
412.11328	0.7
431.19186	2.9
449.20239	5.8
455.15497	0.7
505.25766	1.3
741.40649	100.0
742.27563	1.2
742.40948	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	741.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41780	0.3
53.57412	0.3
57.03293	0.3
59.01248	2.6
61.98701	2.5
67.01771	0.4
69.03342	0.4
71.01251	2.6
71.50967	0.3
73.02818	0.7
75.00742	1.1
81.03349	0.3
83.04899	0.9
85.02824	4.5
87.00755	1.3
88.98682	0.8
89.02300	0.8
93.03328	4.1
96.95892	0.6
99.04371	0.3
101.02322	0.8
102.32822	0.3
109.02839	0.5
111.04410	2.1
113.02335	0.6
115.03891	0.3
117.03351	0.4
119.04915	61.7
120.05275	2.0
125.02383	0.3
127.03904	1.0
129.01799	0.4
133.02817	1.1
134.03609	0.3
135.04402	1.3
137.02287	0.8
145.02853	0.7
149.04453	0.7
150.06796	0.3
155.03398	2.6
161.02382	1.5
163.03915	100.0
164.04263	4.4
165.03958	3.0
171.10153	0.5
173.04468	6.9
173.05629	0.3
174.04774	0.9
179.03386	1.0
179.10718	0.3
191.05534	38.2
192.05862	2.4
196.50504	0.3
207.10239	0.3
209.11815	0.9
215.09126	0.4
225.11238	0.4
229.08833	0.4
242.14188	0.4
271.02475	0.7
300.02667	0.6
337.09271	30.2
338.09525	2.8
343.24792	0.4
417.13577	0.4
493.35446	0.3
644.17249	0.7
697.36505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1882
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
65.00181	0.6
69.78127	2.6
85.87947	0.5
86.50332	0.5
107.01279	1.4
112.94453	0.5
121.02791	0.6
127.76729	0.5
132.70293	0.5
148.01576	1.4
151.00253	4.6
163.00233	0.8
178.99800	3.4
215.75325	0.6
226.02664	1.1
227.03493	2.3
243.02950	9.1
244.03416	0.8
247.55356	0.6
254.02112	1.3
255.02966	20.5
256.03293	1.6
271.02457	48.1
272.02884	4.8
299.02005	2.2
300.02728	100.0
301.03226	11.5
449.88150	0.8
741.18799	55.3
742.18933	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	741.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09195	0.9
56.65059	0.7
58.00471	0.7
59.01249	5.4
63.39275	0.7
65.00187	3.5
71.01261	5.4
72.99169	1.0
79.52844	0.6
81.08068	0.7
83.01244	1.5
85.02827	1.0
87.00771	1.7
89.02319	6.9
90.35784	0.7
93.03344	2.0
94.74946	0.7
95.01279	2.0
95.63066	0.7
95.77039	0.7
98.20670	1.3
101.02320	3.6
107.01287	3.5
108.02026	1.5
109.99979	7.0
111.00764	2.9
113.02293	1.9
117.03378	1.1
119.03387	1.9
119.04938	2.1
121.02826	1.3
123.00782	2.8
123.04460	0.9
124.01534	1.3
125.02346	1.7
130.04137	0.8
133.02859	1.1
135.00786	1.0
136.98685	2.7
137.02287	0.8
137.99472	3.1
139.00301	5.5
143.03497	0.8
145.02946	1.2
148.01566	1.7
149.04407	1.8
151.00272	10.0
152.01039	3.5
153.01862	1.1
157.02847	0.8
159.04401	1.6
161.02351	1.1
161.04486	1.3
163.00290	1.8
163.03947	3.5
164.98210	0.8
165.98996	10.2
166.99832	4.5
171.04422	2.5
173.04492	1.0
174.03030	0.9
177.01909	0.9
178.99785	6.8
179.05498	2.9
181.04930	1.3
182.03592	0.8
183.04431	2.2
185.02348	0.9
185.05923	0.9
187.03926	3.0
190.99806	0.9
191.05565	3.3
193.04884	0.8
193.98520	2.2
198.03156	3.1
199.03963	4.0
200.04575	0.9
201.05457	2.0
206.99284	1.1
210.03119	1.1
211.03938	3.2
212.26294	0.7
213.05493	0.9
215.03416	4.8
216.04169	1.6
217.04866	0.8
219.02792	0.8
225.01999	1.0
226.02686	3.5
227.03474	14.2
228.04068	2.3
229.04967	2.1
239.03577	1.3
243.02948	24.7
244.03528	4.7
254.02138	5.0
255.02965	53.1
256.03412	6.6
257.04507	2.8
271.02466	71.8
272.03174	23.0
273.03757	1.6
282.01654	2.9
283.02475	21.0
283.05585	1.5
284.03055	4.6
285.03998	4.4
286.04391	0.8
299.01941	5.8
300.02725	100.0
301.03348	21.8
302.03748	1.1
309.07715	5.5
323.09079	1.7
324.09973	3.1
339.12244	5.1
596.33136	0.8
702.28253	0.8
723.18091	0.9
741.18787	99.7
742.19220	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	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
60.16269	0.1
61.98701	100.0
62.98407	0.2
69.63586	0.1
71.01273	0.1
80.45730	0.1
81.03321	0.1
83.04893	0.3
84.05225	0.1
90.40932	0.1
100.90864	0.1
102.03915	0.1
106.04008	0.1
126.79443	0.1
130.65121	0.1
135.04466	0.1
139.50504	0.1
149.04535	0.1
161.02405	0.1
163.94713	0.1
164.04727	0.1
173.04529	0.1
191.05522	0.4
225.16025	0.1
229.19296	0.1
271.02594	0.1
299.02112	0.1
385.15036	0.1
422.68402	0.1
452.33224	0.1
453.33255	0.1
454.34222	0.1
472.51663	0.1
677.49762	0.1
678.50549	0.3
679.50348	1.0
680.50409	1.8
681.51001	0.1
740.49304	1.4
741.49164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
61.98702	100.0
62.98392	0.2
71.01258	0.3
73.46432	0.1
89.02332	0.2
95.49234	0.1
101.02335	0.2
110.53893	0.1
113.02322	0.1
125.02383	0.1
138.00134	0.1
154.98581	0.1
161.04509	0.1
195.13860	0.1
197.11746	0.1
199.13371	0.2
209.11797	1.0
211.13289	0.8
212.13707	0.3
227.12903	0.5
228.13223	0.1
235.08304	0.2
253.09193	0.4
277.21765	0.2
279.23453	0.3
280.23627	0.3
281.23996	0.2
291.19916	0.1
293.21335	0.4
294.21652	0.2
295.22830	1.2
309.20667	0.2
310.21228	0.1
384.97806	0.1
397.13403	0.2
398.13989	0.1
399.14063	0.2
400.14249	0.1
400.33069	0.1
449.23334	0.1
457.18097	0.1
487.12524	0.1
589.05597	0.1
633.92865	0.1
753.88031	0.1
767.77917	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.7
59.74443	0.2
61.98704	100.0
62.98406	0.2
70.25954	0.2
71.01279	0.5
71.49778	0.3
78.95790	0.5
83.04918	0.2
84.19682	0.2
89.02334	0.5
97.02849	0.2
99.07394	0.2
100.10912	0.2
101.02324	0.3
119.03448	0.2
119.04941	0.2
139.89674	0.2
152.99545	0.3
163.04024	0.3
163.11258	0.3
171.10242	0.7
191.05428	0.2
197.12033	0.2
207.10252	0.5
209.11783	3.0
209.13585	0.3
210.12122	0.9
211.13426	0.8
225.11325	0.4
227.12898	0.4
237.03487	0.2
253.09413	0.6
277.21909	0.3
279.23416	0.3
280.23877	0.4
291.19757	0.5
293.21268	1.6
294.21609	1.4
295.23004	0.7
296.23218	0.3
397.13916	0.3
399.14560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01251	5.2
61.76822	0.2
61.98700	32.5
62.98390	0.3
65.66286	0.2
69.03335	0.3
71.01249	2.2
71.04893	0.2
71.49152	0.5
72.99180	0.2
73.02816	0.6
76.97074	0.2
77.48518	0.2
78.95769	0.2
80.02557	1.1
80.47848	0.2
81.03319	1.1
83.01264	0.3
83.04895	4.5
84.02027	0.4
85.02828	0.7
87.00751	0.7
89.02308	1.9
93.03339	0.2
93.74628	0.3
95.04900	0.7
99.00790	0.3
101.02317	2.4
111.08083	0.3
113.02332	1.7
119.03407	0.7
121.10124	0.3
125.05932	0.4
125.09641	0.2
135.08063	0.7
143.03339	0.2
145.04947	0.2
147.11696	0.3
149.09599	0.2
161.04453	1.2
163.11223	2.9
165.12778	2.1
166.93518	0.2
171.10150	1.1
179.05539	0.5
181.12283	0.7
191.10745	0.9
195.13814	4.5
196.14465	0.4
197.11746	0.3
205.12299	0.4
209.11761	100.0
210.12106	5.1
211.13304	0.6
223.13339	3.7
224.13663	0.3
225.11340	0.4
227.12842	11.8
228.13293	0.7
231.21141	0.4
235.08159	2.2
253.09258	13.7
254.09671	0.6
256.13144	0.4
265.21619	0.3
275.20154	5.2
276.20398	0.3
293.21210	56.1
294.21533	5.6
309.20599	0.3
425.69220	0.2
445.20624	0.9
446.21063	0.2
485.32617	0.4
529.30206	0.4
608.42609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04504	0.9
59.01248	22.3
61.78028	1.0
61.98687	4.0
71.01236	8.6
71.04885	3.1
71.29340	2.4
72.99170	1.2
73.02797	2.8
78.95777	17.5
80.96373	1.3
83.01267	1.1
85.02814	2.1
87.00748	1.5
89.02296	3.8
93.03278	1.1
95.04944	1.3
96.96815	1.6
97.02807	3.7
97.06457	3.5
99.00748	13.2
101.02321	4.0
109.06483	2.6
113.02304	2.8
113.27450	1.1
114.88491	0.9
119.03383	1.7
123.08063	1.6
125.09601	8.1
127.11165	1.8
149.55330	0.9
152.99495	9.2
154.00018	1.0
161.04449	1.9
161.09645	1.2
163.11212	9.4
171.10168	11.6
181.12285	13.8
191.05486	1.1
195.13863	1.5
197.11760	2.5
199.13338	11.4
201.11261	5.3
207.10207	28.9
209.11850	6.0
211.13345	2.6
223.13364	1.6
225.11270	50.0
226.11526	3.0
227.12788	2.6
235.08160	2.8
240.66783	1.2
243.12343	6.2
253.09239	7.1
269.21152	1.8
277.21707	87.2
278.22086	9.2
289.18027	1.4
291.19589	2.9
293.21277	12.3
295.22757	3.6
329.23376	1.9
443.19064	3.0
445.19995	2.3
451.63623	1.1
461.20197	7.7
479.64304	1.2
716.80579	1.1
721.41821	8.1
739.42609	100.0
740.42938	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
59.01250	5.6
61.98703	11.9
69.19739	0.6
69.20143	1.9
71.01251	3.6
72.99168	0.4
73.02839	0.6
75.54664	0.2
80.02570	1.0
81.03336	1.1
83.01264	0.7
83.04900	3.8
84.02042	0.7
85.02821	1.0
85.25500	0.2
87.00755	0.8
89.02328	2.5
89.66688	0.2
95.01292	0.5
95.04897	0.4
96.48596	0.3
97.06436	0.4
98.11545	0.2
101.02319	3.4
104.40312	0.2
109.06483	0.5
113.02330	1.4
119.03400	0.7
125.05968	0.4
125.09599	0.3
134.55623	0.2
135.08037	0.5
155.84317	0.3
161.04471	1.4
163.11203	2.9
165.12752	2.0
167.10852	0.3
171.10179	0.7
173.09679	0.3
179.05533	0.4
179.14383	0.5
181.12242	0.7
191.10703	0.9
195.13828	5.2
196.14447	0.3
205.12276	0.5
205.15894	0.3
209.11771	100.0
210.12111	6.0
211.13399	0.5
223.13341	4.3
224.13683	0.3
225.11374	0.4
227.12852	12.3
228.13318	1.0
231.21136	0.4
235.08168	2.0
249.22263	0.4
253.09261	16.5
254.09671	0.8
256.13083	1.1
275.20135	7.0
276.20374	0.5
293.21216	80.2
294.21567	7.5
351.25397	0.3
358.07471	0.2
445.20828	1.0
492.22159	0.4
529.30139	0.5
739.41547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	37.2
60.01601	2.0
61.98697	7.1
69.03326	3.2
71.01252	17.2
73.02838	3.8
78.95774	64.4
78.96229	3.6
85.02849	3.5
87.00777	3.0
89.02319	3.5
96.96839	5.7
97.02830	3.8
97.06471	2.7
99.00755	11.4
101.02338	5.9
109.06464	4.3
113.02370	2.1
125.09627	4.4
129.27005	1.7
133.02823	9.3
142.02628	1.9
150.94904	1.6
152.99490	34.7
161.02356	18.8
161.04477	2.2
162.02718	7.8
163.02933	2.7
163.11264	8.0
165.96375	1.6
169.12201	2.3
171.10185	32.7
172.10588	2.6
181.08820	2.3
181.12286	6.7
185.11699	2.8
195.13879	7.5
197.11783	11.4
199.09695	5.3
199.13362	7.3
201.11296	9.8
207.10205	26.4
208.10516	2.8
209.11755	11.2
211.13551	1.8
215.12918	4.6
223.09769	1.8
223.13454	2.6
224.55695	2.2
225.11298	30.9
235.08252	6.6
243.12347	6.2
253.09261	12.0
277.21735	100.0
278.22095	10.3
279.23090	3.3
289.18173	3.6
291.19934	1.9
293.21240	19.4
294.21475	3.1
295.22784	26.2
296.23267	2.5
309.20941	3.7
327.21744	6.5
429.20187	10.2
443.18802	3.5
445.19791	9.1
447.21832	2.9
461.20172	5.7
463.21429	3.6
466.73380	2.2
721.42053	6.6
739.42474	78.5
740.42346	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	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21220	1.3
58.25478	1.4
59.01250	24.7
61.98716	10.2
71.01261	11.2
71.04901	1.8
71.29664	1.6
73.02817	3.5
75.00747	1.4
78.95774	35.5
81.53624	1.2
85.02821	2.5
87.00750	1.5
89.02322	5.0
95.04913	2.0
96.96839	2.0
97.02811	4.7
97.06470	2.6
99.00757	16.3
101.02345	7.7
109.06464	4.7
110.03576	1.7
111.08015	1.8
113.02331	3.7
125.09619	6.7
135.08101	2.2
137.09680	2.3
152.99480	19.4
161.04468	1.8
163.11188	9.5
171.10194	23.5
179.10619	2.1
181.12236	12.7
185.11589	2.1
189.09099	2.3
191.73402	1.5
195.13803	1.7
197.11786	6.5
198.12172	1.5
199.09659	6.2
199.13365	6.2
201.11299	8.1
207.10213	43.0
208.10536	1.8
209.11819	7.6
215.12804	5.8
223.13211	1.8
225.11275	75.5
226.11649	3.8
227.12880	2.7
235.08186	4.7
236.09734	1.4
243.12308	16.2
244.12666	2.0
253.09218	10.0
269.21268	2.7
277.21722	100.0
278.22092	9.1
279.23138	3.3
289.18103	2.1
291.19495	1.6
293.21210	16.7
295.22714	5.1
296.23093	1.8
309.20880	2.7
329.23257	2.5
429.20325	4.7
431.22037	2.4
435.18771	2.0
443.18924	4.6
445.20209	4.5
461.20303	11.3
463.21402	1.8
479.21378	3.3
641.36096	1.8
695.39282	1.9
721.41656	11.8
739.42426	81.6
740.42657	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03318	0.8
58.00456	1.0
59.01248	10.6
59.24711	0.5
61.98713	4.6
63.78103	0.5
69.03327	0.9
70.81505	0.9
70.81828	0.9
71.01250	11.3
71.04886	2.7
72.99162	0.7
73.02812	1.5
76.94931	0.6
78.95769	2.2
83.01272	1.3
83.04892	0.7
85.02821	1.8
86.81303	0.6
87.00742	1.6
89.02314	4.3
93.03281	0.6
95.04910	1.0
96.87203	0.6
97.02844	4.6
97.06450	1.5
99.00755	12.5
101.02322	5.1
109.06458	2.3
110.03610	0.7
113.02316	2.4
119.03398	1.1
119.68757	0.5
123.08043	1.3
125.09608	4.4
127.11200	1.4
133.19424	0.6
135.08064	0.9
142.02670	1.2
143.03394	0.8
151.22836	0.7
152.99493	1.3
161.04469	2.0
161.09663	1.0
163.11220	7.9
165.09171	1.0
171.10185	25.7
172.10483	1.4
179.05588	0.7
179.10602	0.8
181.12274	13.8
183.13792	1.2
189.09187	1.0
197.11732	1.9
199.13347	23.7
200.13614	1.0
201.11255	7.2
205.20001	0.6
207.10223	32.0
208.10538	1.7
209.11705	1.9
211.13358	3.4
223.09616	0.7
224.09961	0.6
225.11281	64.2
226.11668	5.1
227.12851	4.3
235.08089	3.2
243.12328	12.3
253.09239	7.7
262.15897	0.6
275.20209	1.0
277.09152	0.9
277.21719	66.0
278.22046	6.9
279.22498	0.7
291.19647	1.4
293.21170	5.3
294.21539	0.6
296.47241	0.6
443.19049	1.7
461.20337	12.9
462.20587	1.4
479.21347	3.5
703.14850	0.8
721.41241	5.1
722.41968	1.3
739.42706	100.0
740.43048	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	739.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24203	0.5
55.01764	1.2
58.00467	1.7
59.01250	100.0
69.03339	1.3
71.01254	49.1
72.01603	0.9
72.99178	2.6
73.02819	59.2
74.03156	0.7
75.00755	1.1
79.96662	0.5
83.01259	21.5
85.02831	4.4
85.84848	0.5
87.00768	2.1
89.02317	15.3
90.98645	0.5
93.03362	1.0
95.01258	1.6
96.95911	0.8
99.00734	0.7
101.02324	66.0
102.02692	1.7
113.02332	14.2
113.03088	1.0
119.03391	13.1
125.02356	2.0
131.03392	5.0
131.04178	0.5
133.02861	1.5
135.04427	2.0
137.02354	0.8
143.03407	7.1
143.04440	1.0
149.04466	10.1
151.03926	0.6
155.03458	1.7
161.02493	3.5
161.04466	18.8
162.02718	1.1
162.04799	0.6
173.04506	0.9
179.03493	0.7
179.05554	2.5
187.07553	0.8
191.05534	3.9
203.05569	1.8
221.06624	5.4
243.77571	0.6
254.05692	0.8
255.06651	0.8
282.05334	1.3
283.11880	4.2
304.06125	0.7
325.12872	6.2
426.95029	0.8
462.11893	2.1
463.11722	0.7
559.18677	2.0
613.99512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.2
59.01255	38.2
61.98387	5.6
61.98703	100.0
63.18092	2.3
63.51132	2.6
69.93777	13.9
71.01250	26.5
72.99181	3.0
73.02821	7.9
78.95788	13.9
83.01236	6.4
83.04914	3.2
85.02822	11.2
87.00721	3.1
89.02313	10.3
95.01238	2.3
96.95913	4.6
99.00760	4.7
99.04398	2.6
101.02322	14.8
101.81411	2.5
106.34277	2.7
109.06462	5.8
111.00721	2.3
113.02337	7.5
119.03465	2.5
120.26968	2.5
125.02361	2.9
131.03383	3.0
133.02797	5.9
135.04388	4.1
143.03421	3.6
149.04416	5.4
152.99593	4.1
161.02306	8.9
161.04379	4.2
163.11217	6.5
164.38129	2.5
171.10175	6.7
173.04420	6.0
179.03374	10.0
191.05566	17.6
207.10175	24.9
209.11765	45.4
210.12097	3.6
211.13335	3.9
223.13217	3.9
225.11314	20.1
227.12793	10.5
235.08331	3.2
253.09215	7.0
346.55740	2.7
443.18564	3.1
461.20233	8.0
491.35541	3.5
635.30524	15.4
635.40063	30.9
636.30872	3.7
636.40033	3.0
653.31604	13.1
653.41241	23.0
654.41803	3.6
671.32520	24.0
672.32904	3.7
695.41742	9.5
739.32666	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54156	0.1
58.15498	0.1
59.01248	0.6
59.04225	0.1
61.98700	100.0
68.36495	0.1
71.01265	0.4
73.34273	0.1
73.35550	0.1
83.04877	0.2
85.23492	0.1
89.02332	0.3
101.02329	0.2
130.64270	0.1
163.11243	0.2
207.10329	0.1
209.11763	3.3
227.12866	0.3
253.09235	0.6
275.20169	0.2
278.22021	0.3
293.21216	1.6
310.76587	0.1
397.14020	0.2
398.13745	0.3
399.14172	0.3
456.88046	0.1
466.89621	0.1
580.20306	0.2
643.07922	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07775	0.1
53.54239	0.2
56.39618	0.1
59.01247	0.4
61.98703	100.0
62.98409	0.2
67.72699	0.1
71.01267	0.2
89.02321	0.2
91.30913	0.1
103.76165	0.1
108.40727	0.1
113.02261	0.2
114.05241	0.2
209.11807	0.3
225.11325	0.2
226.11681	0.2
239.42383	0.1
241.02792	0.2
246.49095	0.2
253.09401	0.2
277.21780	0.2
278.22205	0.3
293.21326	0.2
295.07639	0.2
307.59119	0.2
398.14154	0.2
399.14136	0.3
400.14743	0.1
730.22058	0.2
730.83466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10496	1.0
57.84351	0.9
69.43427	1.7
69.43831	6.3
87.16113	1.0
107.01279	1.9
125.31606	1.1
151.00238	2.7
154.74072	1.1
171.04453	1.2
178.99741	1.4
180.56120	1.0
197.49431	1.0
227.03474	29.6
228.03772	2.5
229.05034	1.8
239.03355	1.1
255.02980	59.1
256.03525	7.7
257.04440	1.1
283.02405	3.1
283.11688	1.0
284.03262	100.0
285.03848	18.6
286.04495	1.6
344.92780	1.1
419.82770	1.0
520.48688	1.1
575.13782	2.5
739.20923	99.3
740.21149	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
59.01263	2.8
61.84000	0.5
61.98697	1.4
63.02598	0.5
63.61564	0.5
65.00215	0.7
71.01244	0.7
71.37165	0.8
73.02819	0.6
81.03310	0.8
83.04877	1.3
83.46684	0.5
89.02333	0.8
93.03341	0.5
110.43195	0.5
149.04469	1.3
151.00310	0.8
165.01825	3.1
183.04434	2.1
191.05527	0.7
211.03969	2.6
225.16025	0.9
226.16383	0.7
227.03468	3.3
255.02974	42.1
256.03455	3.8
269.04526	1.5
271.05933	2.5
283.02472	100.0
284.02963	10.8
298.04828	71.5
299.05435	16.1
300.05966	0.9
341.06601	0.8
480.38080	0.7
575.14099	1.2
677.49329	1.1
678.50037	10.3
679.50354	3.1
739.20923	63.0
740.21301	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	737.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72089	0.5
59.01249	12.8
61.98700	1.9
65.74420	0.4
69.03329	0.6
70.87858	0.5
70.88197	1.1
71.01250	6.5
73.02838	1.4
78.95788	0.7
80.02542	0.9
81.03344	1.5
83.01264	1.1
83.04890	2.5
85.02859	2.2
85.14939	0.4
87.00751	1.7
89.02323	3.8
93.03370	0.4
95.04908	1.3
97.02829	5.1
97.06420	0.4
99.00763	1.3
101.02318	6.0
106.89754	0.5
107.04884	0.9
109.06479	20.4
110.03619	1.1
110.06794	1.3
111.08093	0.7
113.02359	2.6
119.03403	0.6
121.06506	1.0
123.04392	3.1
125.09621	0.8
135.08041	1.6
136.05220	1.3
142.02615	1.9
143.03366	0.7
145.04933	0.9
161.04480	2.3
161.09647	1.4
163.11200	11.7
164.11600	0.7
171.10168	0.6
179.05496	0.9
179.10699	0.5
179.14299	0.8
181.12268	2.5
189.09102	1.8
195.13829	11.1
196.14447	0.7
205.12245	0.8
207.10210	68.3
208.10544	4.7
209.11763	6.2
211.13300	1.6
223.13354	6.5
225.11293	23.0
226.11644	2.0
227.12862	1.4
228.13541	0.7
235.08214	2.9
235.10220	0.5
253.09268	19.7
254.09625	0.6
256.13071	1.3
265.21777	0.7
275.20166	6.6
276.20432	0.7
279.23236	0.6
291.19693	5.8
292.19885	0.6
293.21225	100.0
294.21545	9.2
299.14993	0.9
397.13297	0.6
418.86942	0.5
443.13687	0.7
443.19077	3.4
461.20239	6.4
462.20810	0.8
483.31039	1.1
529.30389	1.6
719.40002	1.7
720.40033	0.6
721.15448	0.5
737.41174	29.7
738.41516	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	737.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03326	2.0
58.00457	1.5
59.01250	59.5
61.98704	100.0
62.27499	1.4
66.77494	1.5
69.03338	1.9
71.01254	34.8
71.51048	2.1
72.99165	2.8
73.02818	6.9
75.00755	2.2
75.61462	1.3
78.95774	2.4
80.96413	3.0
81.03335	1.9
82.00388	1.3
82.45090	1.5
83.01237	4.3
83.04888	3.7
85.02831	17.0
87.00739	8.7
88.58319	1.5
89.02322	22.1
93.03333	5.7
95.01270	4.3
96.95885	2.5
97.02869	1.5
99.00752	3.5
101.02325	19.4
113.02331	16.7
119.03387	10.9
124.01581	1.6
125.02348	2.6
127.82991	1.4
131.03481	2.3
133.02818	4.9
135.04459	10.8
137.02280	1.8
143.03413	3.2
149.04466	7.8
152.84114	1.4
159.04408	1.6
161.02357	11.3
161.04489	4.6
163.03877	1.7
163.11279	2.6
165.03995	2.0
171.10170	6.3
172.05194	2.1
173.04453	4.2
173.05867	2.0
175.03703	1.5
179.03413	9.5
179.05501	3.4
181.12254	1.6
182.15271	1.5
187.07584	3.8
191.05505	15.5
197.11777	1.4
199.07573	2.4
207.10179	2.9
209.11769	47.1
210.12070	3.2
211.13315	5.6
212.08298	1.6
225.11166	2.3
227.12802	8.3
243.12296	1.8
253.09189	4.9
255.10304	1.8
271.58548	1.4
328.14468	1.5
471.33020	3.3
477.40799	1.7
561.32379	3.2
596.20868	8.6
633.38757	30.2
634.38721	5.9
640.10120	1.6
651.39703	32.7
652.39648	5.2
687.32104	2.1
693.40686	9.7
737.29498	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	735.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91208	1.4
59.01251	16.8
59.45924	1.7
61.98705	39.5
64.27270	1.4
71.01254	79.2
73.02815	1.6
78.95767	4.9
83.04902	5.4
85.02810	5.1
89.02325	4.9
97.02811	3.2
99.00761	2.1
101.02331	6.1
102.11188	1.4
109.06449	5.6
113.02318	4.1
118.48323	1.4
121.06486	1.5
123.08092	1.7
152.99535	3.1
161.02422	1.7
161.04343	1.9
163.11139	2.1
171.10182	45.9
177.12697	4.7
179.05510	1.6
195.13821	8.2
199.09625	4.8
201.11397	3.6
207.10133	9.0
218.74565	2.1
221.11783	52.6
222.12038	2.0
223.09787	2.1
225.11229	6.1
235.08186	5.4
239.12907	20.1
253.09235	13.0
255.23273	100.0
256.23566	6.4
277.21722	50.8
278.22113	4.7
293.21170	3.0
475.21591	3.8
699.42822	2.5
717.44653	2.1
735.43610	18.9
736.44055	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	736.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56479	0.3
59.01248	2.0
61.98706	100.0
68.65368	0.2
71.01273	1.5
71.21265	0.4
78.95801	0.3
80.91569	1.2
82.95307	0.5
83.01283	0.3
83.02320	0.3
85.02846	0.5
89.02336	0.7
90.77890	0.3
97.02873	0.4
101.02321	0.4
106.64613	0.3
113.02360	0.3
124.30231	0.3
125.02345	0.3
133.02907	0.5
135.04430	0.3
161.02393	1.2
179.03455	0.5
179.10713	0.5
197.11978	0.4
207.10349	0.6
209.11819	0.6
211.13403	0.4
223.09784	1.0
223.13477	0.3
225.11339	0.6
228.35936	0.3
230.17892	0.3
235.08168	0.4
255.23354	1.9
256.23700	0.3
267.67395	0.3
291.19794	0.6
293.21332	1.0
337.23764	0.6
397.13480	1.7
398.14304	0.5
415.14813	0.5
417.66620	0.4
455.17532	0.4
458.18454	0.3
459.18680	0.6
460.18915	0.5
473.18356	0.6
496.14178	0.5
511.16348	0.6
512.13824	0.8
513.15088	0.4
514.15283	0.3
515.14020	1.0
527.16162	0.4
529.15979	0.8
530.16174	0.6
586.19623	0.6
599.21204	0.6
600.20795	0.3
602.22028	0.3
614.20331	3.8
615.20422	1.8
616.20642	1.5
617.20435	4.2
617.29449	0.4
618.20331	2.1
649.19550	0.6
676.19690	0.3
718.39087	0.4
735.34955	0.4
735.85461	1.2
736.21991	1.0
736.36432	0.4
736.85406	0.3
737.21320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88861	0.1
59.01238	0.3
61.98703	100.0
62.98414	0.2
71.01265	0.3
85.02833	0.3
89.02325	0.1
95.01264	0.1
96.21207	0.1
99.00749	0.2
99.69673	0.1
101.02330	0.2
113.02339	0.1
119.03399	0.1
123.04344	0.1
133.02875	0.2
135.04431	0.3
149.04475	0.1
150.03134	0.1
152.91708	0.1
157.65591	0.1
161.02348	0.7
162.02701	0.1
176.55583	0.1
177.01906	0.2
178.02182	0.1
179.03448	0.3
191.05597	0.2
197.11781	0.1
209.11731	0.4
218.59796	0.1
231.46234	0.1
252.06677	0.1
252.34659	0.1
328.52893	0.1
416.16071	0.2
416.65976	0.1
479.36023	0.1
596.21179	0.1
615.23218	0.1
716.41949	0.1
720.29297	0.2
720.79431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86148	0.3
52.45539	0.2
54.23455	0.2
57.03316	1.3
57.37250	0.2
59.01247	5.9
61.98704	0.8
65.06311	0.3
69.03310	1.8
70.80531	0.5
70.80840	0.3
71.01250	5.2
71.01624	0.4
71.04902	0.8
73.02821	0.7
78.95764	0.3
83.01269	0.7
83.04911	0.5
84.85563	0.3
85.02814	1.2
87.00735	1.0
89.02312	2.8
93.03338	0.4
95.01241	0.4
95.04901	0.7
97.06477	0.3
99.00749	0.4
101.02322	3.9
109.06490	0.9
113.02328	2.6
119.03400	0.8
125.02321	0.3
125.09614	0.8
131.03432	0.3
141.09120	0.6
143.03401	0.5
145.04984	0.4
149.09630	0.5
151.11246	0.3
152.99504	0.4
161.02342	0.7
161.04457	1.5
161.13278	0.4
167.10690	2.7
177.12798	0.9
179.03400	0.6
179.05582	0.8
179.10785	1.4
179.14323	3.8
180.14662	0.4
181.12305	0.3
195.13832	16.1
196.14244	1.2
205.12268	9.9
205.15924	0.3
206.12662	0.3
209.11777	0.5
211.13300	0.8
223.13345	100.0
224.13692	7.2
224.15918	0.4
225.14832	0.7
228.13583	0.4
235.08244	3.3
239.12914	0.3
253.09258	15.5
254.09589	0.5
255.23363	0.5
256.13104	1.0
275.20142	4.7
276.20422	0.7
277.21777	0.4
291.19537	0.4
293.21222	79.1
294.21552	7.7
368.67221	0.3
397.13684	0.3
416.65891	0.3
441.21420	0.5
459.22360	10.5
460.22650	1.5
492.22522	0.5
499.34253	0.7
529.30157	1.3
666.36151	0.3
698.34393	0.4
735.43323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03325	2.2
58.00185	0.6
58.00466	2.0
59.01250	34.5
59.97191	0.5
59.97520	0.6
61.98702	20.8
69.03327	0.8
71.01250	23.1
71.50964	0.8
72.99170	3.0
73.02467	0.7
73.02806	3.6
83.01267	2.1
85.02824	7.3
87.00751	2.2
89.01765	1.4
89.02316	21.8
93.03331	1.1
95.01233	1.4
101.02322	15.4
109.02876	0.7
113.02332	7.2
118.60828	0.6
119.03402	4.3
120.01172	0.6
121.02867	1.2
123.04397	1.0
125.02378	1.3
125.09678	0.7
131.03409	1.0
133.02873	3.8
134.03638	1.9
135.04425	5.7
137.02338	0.7
143.03418	0.8
149.02380	0.7
149.04489	4.3
156.10202	0.7
161.02368	16.0
161.04445	1.2
162.15332	0.7
167.14323	18.9
171.10265	0.6
173.04475	1.1
174.61615	0.7
175.03960	1.1
176.01064	0.5
177.01831	2.3
177.05469	0.7
179.03424	6.8
191.05547	3.8
192.05719	1.0
203.03395	2.1
209.11790	2.4
210.14868	0.8
211.13345	17.4
212.13707	0.8
221.04596	0.6
227.12798	1.0
229.12126	0.7
229.14400	14.4
230.14723	0.8
239.16559	1.9
254.17645	4.9
272.18680	19.2
273.19019	1.1
281.21210	6.7
283.02335	1.1
299.22385	1.5
309.29309	0.7
325.20309	2.3
341.08722	1.9
416.22974	3.1
422.29172	1.0
434.23944	21.2
435.24231	1.8
476.06140	0.6
476.13193	2.7
503.14069	1.4
537.82709	0.8
573.20398	3.1
584.33948	0.9
602.35449	100.0
603.35846	17.3
624.95129	0.8
638.18433	2.8
734.39685	40.8
735.25397	2.3
735.39941	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	734.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.7
57.03306	2.1
58.00454	1.6
59.01252	29.6
61.98704	22.9
69.03297	1.1
69.33323	3.3
69.33727	1.7
71.01257	24.3
71.04862	0.9
72.01559	0.8
72.99160	2.1
73.02824	4.4
75.00710	0.6
78.72202	0.6
81.03310	0.7
82.00169	0.6
83.01246	2.3
83.04881	1.6
85.02826	9.6
86.03170	0.6
87.00740	2.6
89.02319	14.6
93.03304	1.3
95.01247	2.4
95.04887	0.9
96.95885	1.8
97.06451	1.6
99.00714	1.1
99.07998	0.6
101.02323	15.0
109.02832	0.8
109.06465	1.0
111.07999	1.2
113.02330	9.0
115.07513	0.9
117.03330	1.2
119.03392	4.5
121.02797	1.8
122.05971	0.8
123.04390	1.2
125.02280	1.4
133.02831	5.9
134.03624	1.4
135.04428	7.4
137.02321	1.0
147.04474	0.6
149.02319	0.8
149.04501	3.3
150.03021	0.6
151.03853	1.1
156.10161	1.4
158.11745	3.4
161.02350	13.9
161.04395	1.2
165.12788	3.9
167.14339	5.6
173.04475	2.1
174.11261	5.5
175.03902	1.1
177.01869	3.7
177.05492	0.8
179.03409	7.3
183.04320	0.9
191.05545	6.5
192.05836	1.0
203.03412	1.9
207.10286	0.7
209.11761	7.5
211.11823	0.6
211.13390	6.0
215.06943	0.8
225.11195	0.8
227.03441	0.7
227.12805	6.9
229.14357	5.2
239.16437	1.2
255.02922	2.5
256.03360	1.6
265.18134	1.9
270.17139	1.0
272.18671	2.1
281.17914	1.4
281.21161	4.6
283.02475	6.3
284.02890	5.2
285.02872	1.0
288.17984	1.4
300.12466	1.0
308.22195	1.4
308.55600	0.6
324.21802	0.8
341.08636	1.9
380.92966	0.6
422.29160	0.8
432.21799	0.7
434.23993	1.0
450.23337	2.7
476.12939	3.1
488.28595	1.6
503.14127	1.3
554.71661	0.6
573.20203	2.7
577.23737	0.8
602.35437	100.0
603.35773	17.1
638.18506	3.3
734.39679	40.1
735.26532	1.5
735.39789	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	734.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54481	0.1
54.70124	0.1
59.01250	0.3
61.98701	100.0
62.98391	0.1
70.21873	0.1
70.81918	0.2
71.01254	0.1
77.53214	0.1
85.02827	0.1
89.29358	0.1
93.03350	0.2
101.02332	0.1
113.49992	0.1
135.04375	0.2
141.95573	0.1
161.02319	0.2
166.12350	0.1
179.03430	0.3
191.05647	0.2
209.11774	0.3
210.12137	0.1
211.13438	0.1
256.00900	0.1
386.49509	0.1
565.98883	0.1
583.87897	0.1
718.26086	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	734.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42120	0.1
59.01241	0.4
61.98701	100.0
62.98404	0.2
70.70572	0.1
70.79892	0.2
70.80233	0.1
71.01263	0.2
78.84261	0.1
85.02818	0.1
85.10471	0.1
89.02330	0.1
93.03350	0.1
96.95891	0.1
101.02307	0.1
113.02275	0.1
133.02856	0.1
135.04433	0.3
149.04463	0.2
152.99506	0.1
161.02373	0.3
162.02655	0.1
173.04489	0.2
175.03844	0.1
179.03452	0.3
191.05589	0.2
209.11792	0.4
236.30922	0.1
612.75580	0.1
734.40503	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.3
61.98700	100.0
62.98418	0.2
65.10355	0.1
70.01493	0.5
71.01264	0.3
71.07658	0.2
73.33068	0.1
75.00748	0.3
78.95801	0.2
85.02863	0.1
89.02307	0.3
89.69939	0.1
92.93496	0.1
98.19919	0.2
101.02328	0.2
117.07057	0.2
117.68693	0.1
120.01149	1.1
133.02892	0.3
135.04408	0.3
137.28799	0.1
161.02388	0.6
171.10175	0.9
172.10509	0.3
179.03470	0.3
187.07716	0.2
188.44725	0.2
191.05534	0.2
204.88330	0.2
209.11836	0.4
223.13371	0.2
225.11488	0.2
253.65680	0.2
280.62476	0.2
341.23416	0.2
426.15982	0.3
484.79547	0.2
521.05847	0.2
572.19525	0.2
577.43451	0.2
587.21954	0.3
641.21912	0.8
659.23340	0.3
669.25366	0.2
673.25574	0.5
732.40460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.3
61.98682	1.9
70.14469	0.8
70.62508	1.4
71.01255	0.9
75.00750	1.2
78.91758	7.8
78.95766	0.8
111.74073	0.7
113.02326	1.0
133.02838	2.0
135.04391	1.5
161.02371	3.7
179.03345	1.1
194.49602	0.6
407.15479	1.1
415.14392	0.8
416.15915	1.4
425.12454	0.9
427.14041	1.1
438.09537	1.7
441.15344	1.5
442.16241	2.3
443.17081	0.9
444.13715	0.9
453.12210	2.1
454.09158	1.3
455.17435	9.0
456.17496	2.7
457.18799	15.1
458.19296	3.4
459.16531	2.4
468.10474	1.3
469.11057	3.4
470.16776	0.8
473.18359	13.6
474.15643	4.3
474.80072	0.6
475.15707	1.0
481.11710	1.7
482.12164	1.7
483.12885	1.9
485.18454	6.1
486.18604	2.0
496.13586	8.1
497.14194	4.7
498.11584	1.0
501.17734	1.2
502.15009	2.0
510.15402	2.2
511.16125	12.4
512.13239	24.3
513.13733	7.4
513.20837	1.0
515.19537	1.0
526.14984	16.7
527.15552	15.0
528.16406	4.4
529.17090	2.0
539.19330	0.8
543.22742	0.7
555.18976	1.0
560.15491	2.3
583.18390	6.6
584.18793	2.4
587.17828	0.9
597.19733	4.2
598.20319	0.7
599.21613	7.8
600.21173	2.0
613.19202	1.5
614.20184	100.0
615.20685	48.7
616.21295	4.7
629.22418	1.6
645.21802	1.3
646.19171	11.5
647.19366	2.9
673.21167	6.0
674.21643	1.4
733.23676	2.5
734.23120	1.3
734.34650	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	733.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98709	1.7
70.69981	2.8
71.01245	1.5
78.95787	3.0
79.76577	0.9
79.95606	3.8
80.96385	5.3
85.02804	1.2
87.00763	1.6
94.97978	1.2
133.02834	3.2
134.03670	1.2
135.04420	1.2
152.99507	2.2
161.02351	7.9
179.03458	2.9
196.89380	1.5
197.47542	1.0
225.00676	2.2
237.14821	1.3
246.94159	1.0
255.23192	4.3
399.79099	1.1
409.44540	1.2
428.39536	1.5
453.36169	1.3
457.74377	1.1
498.15952	1.4
512.17096	2.3
587.21136	1.3
600.12701	1.8
600.22284	28.2
601.22705	6.9
632.21643	5.4
673.26050	1.4
733.26593	20.4
733.83179	3.1
734.27100	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	730.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
61.98701	100.0
62.84516	0.2
68.50261	0.3
71.01275	0.7
71.49736	0.5
75.00755	1.0
76.66820	0.3
78.95771	0.8
88.98726	0.2
97.02945	0.3
101.51015	0.3
135.04390	0.4
150.91228	0.3
152.12526	0.3
161.02351	0.4
171.10188	0.3
179.03494	0.4
190.77795	0.3
191.05553	0.7
209.11795	0.5
258.16568	0.3
324.82724	0.3
461.91681	0.3
613.57629	0.3
714.28223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.0
60.99175	19.9
61.98701	7.4
69.44916	1.4
69.45325	4.3
71.25919	0.8
87.00746	8.6
88.00278	1.9
88.01108	0.9
88.98677	100.0
89.02314	27.3
89.99018	0.8
104.27184	0.7
163.37772	0.8
271.30054	0.8
357.27362	0.8
364.01346	0.8
424.11841	1.1
438.13321	2.7
439.13858	1.3
467.13705	2.5
481.15240	16.1
482.15765	7.4
483.16269	1.4
495.17117	1.7
496.17590	1.4
497.18427	4.1
514.14905	8.0
515.15942	1.8
540.16479	5.0
541.17047	1.3
555.18829	40.5
556.19073	8.7
572.15491	7.7
573.15955	1.2
589.62170	0.8
641.22699	2.4
659.23560	25.7
660.23938	6.6
703.22070	0.8
731.25336	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	731.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54463	1.3
57.02238	1.5
59.01249	100.0
61.98698	3.0
62.90981	1.2
70.72890	1.3
71.49788	2.1
71.50169	1.6
78.95786	2.1
95.78467	1.4
216.63513	1.6
299.18646	1.6
299.30499	1.7
333.87201	1.5
358.45279	1.5
496.14001	4.2
510.15552	2.3
511.15601	2.4
539.15497	7.7
553.17218	6.1
554.17529	1.9
583.19043	1.8
585.19965	3.1
598.20660	7.7
599.20862	2.7
616.17432	2.0
630.19812	6.9
671.23535	15.7
672.23718	6.3
731.12463	3.4
731.25671	71.5
732.25867	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	732.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
59.97461	0.1
61.98702	100.0
62.98401	0.2
69.13295	0.1
70.41512	0.3
70.41876	0.2
71.01261	0.6
74.46682	0.1
75.00746	0.1
78.95782	0.1
81.73899	0.1
83.04859	0.1
85.02853	0.1
89.02338	0.2
101.02345	0.3
109.02880	0.1
113.02340	0.3
120.01145	0.5
121.02841	0.1
123.04436	0.1
127.03943	0.1
132.02072	0.2
133.02850	2.4
134.03635	0.2
135.04404	1.5
161.02353	6.3
162.02719	0.4
169.12210	0.2
171.10144	0.2
173.05989	0.2
175.03949	0.2
177.05513	0.2
179.03427	1.7
187.07573	0.3
191.05589	0.3
197.11765	0.5
201.05579	0.2
202.06184	0.2
203.03456	0.8
207.10225	0.2
209.11726	0.5
221.04482	0.2
225.11316	0.5
229.08707	0.3
230.09435	0.3
253.09550	0.1
281.06616	0.1
340.07858	0.1
341.08774	1.3
461.20120	0.1
571.18555	0.2
572.18805	1.6
573.19427	0.3
669.25128	1.4
670.26416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.2
61.98705	28.8
69.03316	3.0
69.54365	2.0
71.01250	13.9
73.02798	2.6
78.95772	4.3
83.04904	2.3
85.02829	4.6
87.00770	4.0
88.98690	2.8
89.02303	7.4
93.03340	3.6
93.33283	2.3
95.04836	2.6
97.02838	2.7
98.19771	5.3
101.02316	8.1
109.06435	2.2
109.96027	2.2
111.08022	3.3
113.02332	6.1
116.92735	9.0
125.09592	3.6
127.11160	6.5
133.02835	8.7
135.04414	7.3
143.03395	2.3
149.04338	2.4
155.10696	3.8
157.08904	2.0
161.02361	20.0
161.04501	2.5
162.02733	4.6
171.10185	9.0
179.03394	7.2
179.05502	2.8
181.11974	2.1
191.05522	13.5
195.13841	5.6
197.11726	19.8
199.09676	3.2
201.11264	100.0
202.11635	4.2
205.12311	6.6
207.10184	3.4
209.11769	87.0
210.12117	5.2
211.13408	4.9
223.13348	52.8
224.13708	2.3
225.11411	2.4
227.12846	13.8
235.08205	4.3
253.09265	36.0
283.12915	2.6
291.19659	10.2
309.20724	39.2
310.21121	2.5
401.10593	2.4
416.65753	4.1
437.19925	3.1
459.22629	2.6
475.31570	2.4
483.76965	2.5
493.31766	3.1
514.81989	2.8
597.23187	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	729.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
61.98705	1.7
71.01252	1.3
71.50059	0.4
72.99181	2.9
75.00748	100.0
76.01077	0.6
78.25407	0.3
78.95795	0.8
80.09077	0.3
87.00742	0.4
89.02326	1.1
99.05437	0.3
101.02342	1.0
103.37359	0.3
104.04369	0.3
108.02435	0.3
119.03429	0.3
125.02345	0.6
152.99542	0.7
157.39485	0.3
161.02341	0.5
161.04521	0.3
169.87288	0.3
179.03326	0.4
179.05211	0.3
235.08156	0.6
255.23351	2.9
320.01126	0.4
360.15952	0.3
397.13477	5.7
415.14471	1.8
471.45258	0.4
653.38147	0.4
728.42163	0.4
729.43365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.1
59.01245	4.9
61.98698	2.5
69.54375	2.3
69.54784	5.4
71.01261	1.8
73.02818	2.3
78.95773	52.2
85.02815	1.1
95.04877	1.7
96.96834	4.7
101.24397	1.1
109.06478	4.2
110.90657	1.0
113.24737	1.1
125.09646	2.8
127.11175	3.6
152.99489	67.3
153.09039	1.2
153.99829	1.7
155.10667	1.1
163.11172	2.2
171.00520	7.4
171.10179	100.0
172.10539	4.5
181.12173	2.1
199.09721	10.0
199.13254	1.7
201.11253	10.7
201.19604	1.1
207.10254	6.9
209.02080	1.8
209.11752	4.3
210.12097	3.0
215.12959	2.2
225.11292	15.3
226.11716	1.4
227.03253	6.2
227.12912	2.4
228.13255	1.2
235.08195	1.1
243.12364	3.5
245.04146	1.8
253.21703	18.6
255.23340	2.6
261.13354	3.7
270.42728	1.1
277.21771	5.4
278.22134	4.4
279.23148	2.3
311.22485	1.4
361.10599	1.2
379.11752	1.3
381.13129	1.1
397.12463	2.7
399.14221	43.3
400.14621	3.2
409.12704	2.6
427.13828	3.0
453.15353	11.7
471.16333	21.3
472.16748	2.5
489.17444	8.5
635.35590	31.8
636.35779	3.2
689.36987	2.9
707.37683	17.9
708.38000	2.6
725.38843	8.7
726.39502	2.1
735.37659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
58.00476	0.5
59.01252	8.6
61.98701	1.7
62.06857	0.4
71.01256	5.0
72.99168	0.6
73.02826	1.0
83.01281	0.6
83.04907	0.8
85.02842	1.1
87.00743	0.6
89.02329	3.2
95.01270	0.9
97.06480	3.6
98.20592	0.9
101.02328	3.5
113.02320	2.8
119.03403	0.9
151.11194	13.5
152.11462	0.6
161.04460	1.0
169.12260	90.9
170.12616	4.6
171.10297	0.8
179.05629	0.4
195.10240	1.9
195.13824	3.1
213.11267	10.8
223.13391	1.9
235.08221	1.4
253.09271	2.7
275.20120	1.0
293.21210	12.1
294.21646	1.1
391.22000	0.5
397.13358	0.6
405.21042	0.5
431.19220	2.1
449.20248	6.3
450.20911	0.6
466.90134	0.5
563.35693	0.5
568.11249	0.5
595.67126	0.5
725.41174	100.0
726.41553	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	725.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05009	1.1
61.98690	2.2
71.40620	2.0
75.50587	1.2
78.95774	68.2
82.36723	1.3
82.39687	1.0
96.96842	16.1
107.19669	1.1
127.11108	2.3
143.00745	1.2
152.98334	1.6
152.99484	19.6
154.43971	1.1
171.10182	66.5
172.10445	2.1
209.11728	4.2
219.05553	1.3
223.00026	4.9
227.12859	1.8
231.67348	1.1
241.01172	28.3
255.23280	59.6
256.23505	4.8
259.02060	2.8
279.43100	1.1
297.03726	2.0
307.09290	2.1
391.22543	9.1
469.14651	1.4
553.28284	6.4
725.38800	100.0
726.39099	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	725.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22277	0.3
57.03316	0.4
57.08654	0.3
57.44151	0.3
57.44455	0.3
59.01252	15.9
61.98700	3.4
67.23921	0.3
69.03332	2.4
71.01251	3.1
71.04885	0.7
71.49821	0.4
72.99181	1.1
73.02821	0.8
78.95789	1.0
83.01273	0.5
83.04900	0.6
85.02818	0.9
87.00761	0.7
89.02330	2.3
93.03329	0.4
95.04900	0.5
97.02827	0.4
97.06487	0.6
99.00766	0.5
101.02328	3.4
109.06490	0.6
111.08034	1.3
113.02321	1.6
119.03423	0.6
119.48903	0.3
125.09589	0.7
137.07945	0.3
137.09575	0.4
141.09154	0.6
143.03470	0.5
145.04950	0.6
149.09624	0.9
151.11246	0.3
161.04449	1.7
167.10677	4.6
169.12297	1.6
171.10173	1.0
176.85497	0.3
177.12761	1.0
179.05516	0.8
179.10744	1.6
179.14357	2.8
185.11798	0.5
195.13843	10.4
197.11761	30.6
198.12080	1.5
199.13278	0.5
205.12265	10.8
206.12575	0.7
209.11795	0.4
211.13322	0.8
213.11305	0.6
223.13350	100.0
224.13647	6.2
227.12726	0.5
235.08180	3.8
247.56026	0.3
253.09261	7.2
291.19681	3.5
293.21310	1.1
309.20700	9.4
310.20950	0.5
411.25345	1.0
429.26566	1.3
433.20667	1.2
441.21222	1.8
448.21744	0.4
459.22336	14.3
460.22778	1.3
463.98453	0.3
595.31036	0.5
621.33069	0.4
647.34387	2.0
665.35828	2.2
666.35980	0.5
725.41003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50281	0.3
57.03306	0.8
59.01250	19.3
61.30178	0.3
61.98708	4.0
67.42209	0.3
69.03336	2.6
70.26447	0.3
71.01251	3.0
71.04893	0.8
71.49578	0.4
72.99176	0.5
73.02823	0.9
75.21775	0.3
78.95782	0.8
81.39805	0.3
83.04895	0.8
85.02828	1.1
85.06454	0.6
87.00745	0.8
89.02301	2.2
93.03326	0.4
95.01292	0.4
97.02803	0.4
97.06472	0.4
101.02329	3.2
109.06480	0.6
111.08044	0.9
113.02304	1.2
119.03383	0.7
125.09581	0.5
134.03705	0.4
135.11691	0.4
143.03471	0.4
149.09595	0.6
151.11243	0.4
161.02367	0.4
161.04468	1.4
167.10687	3.0
169.12270	1.5
171.10110	0.6
176.92810	0.3
177.12717	0.5
179.05501	0.7
179.10753	1.7
179.14326	3.1
185.11778	0.5
195.13841	10.9
196.14198	0.8
197.11763	23.2
198.12082	0.9
202.63423	0.3
205.12286	10.5
206.12686	0.7
209.11850	0.9
211.13400	0.4
213.11333	0.5
223.13345	100.0
224.13695	6.5
227.12807	0.4
235.08186	3.1
253.09241	7.5
253.11839	0.4
254.09535	0.5
291.19638	3.0
293.21207	1.3
309.20670	6.8
310.20969	0.6
347.28470	0.4
370.01498	0.3
411.25339	0.7
429.26355	1.0
433.20697	1.1
441.21317	2.1
459.22321	14.7
460.22552	1.9
595.31616	0.5
647.34283	1.4
648.34827	0.5
665.35480	2.7
666.36017	0.6
725.42084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.6
61.98699	2.9
70.61132	0.9
70.61462	1.6
78.95775	39.0
80.02542	1.6
81.03329	2.4
83.04884	7.8
84.02042	1.6
85.95825	0.6
95.04934	0.6
96.96838	3.0
101.60404	0.6
135.08093	1.1
149.35437	0.7
150.97839	0.7
152.99496	53.1
153.99911	0.8
163.11160	4.6
165.12726	3.5
171.00565	6.2
171.12912	0.8
181.12311	1.4
182.58430	0.6
191.10651	1.6
209.11774	100.0
210.12132	5.9
227.03220	4.5
227.12843	11.0
245.04245	1.3
253.21690	18.1
255.23259	0.8
277.21704	2.6
293.21201	1.7
363.12094	2.8
395.14670	0.8
419.98215	0.7
429.20352	1.5
437.15808	2.7
442.78909	0.8
455.16965	8.2
456.27930	0.7
464.42749	0.6
467.11902	0.8
469.18378	1.0
476.22772	0.8
487.19479	61.8
488.20001	6.6
513.31647	0.7
691.38361	4.9
723.40924	52.9
724.41522	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	725.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.7
64.91855	1.0
65.00202	3.0
69.59949	1.1
70.77964	0.9
70.78298	2.9
71.01257	4.5
85.02834	2.0
85.75364	0.9
89.02319	1.4
93.03363	3.1
95.95898	1.1
97.02861	2.2
101.02310	1.3
109.02868	2.9
112.35060	1.0
113.02338	1.6
114.93315	1.6
121.02851	9.2
131.03357	1.3
133.02794	1.5
135.04433	1.9
147.89760	1.0
149.02353	1.2
149.04474	1.3
149.99466	1.7
151.00267	1.1
155.37794	0.9
159.27904	1.0
161.02452	1.7
164.04584	1.0
165.01842	29.5
165.03232	1.4
170.63000	0.9
173.04492	1.3
191.03996	1.2
191.05467	5.9
193.01344	4.4
199.03975	1.3
227.03458	2.0
237.48613	1.0
243.02975	2.9
255.03136	1.4
256.03821	1.0
270.01813	1.0
271.02475	33.5
272.03012	2.9
285.04056	1.1
287.05634	3.0
299.01953	58.1
300.02600	11.5
308.03030	1.1
314.04309	67.9
315.05075	89.6
316.05417	7.6
343.45618	1.0
477.10309	16.0
478.10858	1.8
519.11444	100.0
520.11908	12.1
593.28296	1.8
665.37537	2.8
683.38678	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	725.1934
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01257	1.3
60.17153	0.6
65.00199	1.3
65.32434	0.9
66.69581	0.9
68.67159	0.7
69.94567	3.5
93.03342	0.9
93.71034	0.7
96.35168	0.6
98.19841	0.8
107.01281	2.1
135.00801	1.5
135.04495	0.7
151.00270	3.6
162.05466	0.7
163.00330	1.5
178.99873	1.0
183.04408	1.0
187.03905	1.3
211.03941	2.8
227.03450	53.3
228.03778	4.8
229.04988	2.3
239.03554	1.1
255.02969	97.5
256.03461	9.8
257.04355	1.6
283.02463	2.5
284.03262	100.0
285.03912	20.2
286.04163	1.0
352.75702	0.8
561.12988	1.0
704.14435	0.9
725.19330	82.5
726.19733	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60241	0.5
57.03331	0.6
59.01250	24.0
61.98690	1.0
69.03345	0.8
70.06313	2.5
71.01254	8.9
71.04858	0.6
72.99181	0.9
73.02815	2.1
76.07271	0.5
78.95776	1.2
81.03336	2.6
83.01246	1.6
83.04889	2.4
85.02821	2.6
87.00746	1.6
89.02322	5.7
93.03347	0.7
95.01263	1.7
95.04890	3.3
97.02832	5.9
97.06436	0.7
98.19964	0.8
99.00756	2.8
99.04374	1.1
101.02312	7.6
107.04899	1.1
109.06473	26.1
110.03642	2.0
111.04408	1.2
111.07975	0.6
113.02345	3.9
113.10719	0.5
119.03413	1.8
121.06492	1.6
123.04454	0.8
123.08030	0.6
125.02349	0.9
125.06031	0.8
133.06493	0.6
135.04395	0.7
135.08080	3.3
136.05219	0.9
142.02609	1.6
145.05008	0.7
145.10123	0.7
152.99525	0.7
161.02309	1.6
161.04503	2.5
161.09627	2.0
163.07500	0.6
163.11205	18.6
164.11505	1.4
165.09055	0.7
169.12292	0.7
179.03459	0.8
179.05531	2.0
179.10709	2.3
181.12270	4.3
187.76433	0.5
189.09122	5.9
191.05603	0.6
192.13773	0.6
197.11720	0.6
207.10197	90.2
208.10509	4.7
209.11754	3.5
211.13327	1.3
224.10051	0.6
225.11270	100.0
226.11584	6.0
235.08191	4.9
243.12241	1.1
253.09253	14.7
254.09648	1.3
263.54367	0.5
275.20166	1.3
277.21710	85.1
278.22040	9.9
299.15088	1.0
301.38354	0.6
423.00473	0.5
423.32361	0.5
441.33865	0.9
443.19199	8.4
444.19833	0.8
461.20258	24.2
462.20786	2.6
485.32092	0.8
532.25421	0.6
538.77869	0.6
570.04199	0.7
596.86774	0.6
703.40765	1.3
721.41614	26.1
722.41974	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	723.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20049	0.3
52.85383	0.3
55.01738	0.4
55.64320	0.3
57.03319	1.0
59.01248	27.0
60.01561	0.4
61.98704	2.4
69.03324	0.4
69.46068	2.1
71.01250	12.2
72.36625	0.3
73.02814	6.4
83.01261	1.8
85.02817	3.0
87.00751	2.4
89.02315	30.8
90.02654	0.4
91.65923	0.4
96.95883	1.2
99.00729	0.8
101.02319	3.8
103.00264	0.8
103.03873	2.1
111.00733	0.4
113.02339	1.9
124.01496	0.4
125.02344	0.5
131.03395	8.0
135.04437	0.5
139.94069	0.3
143.03391	0.8
149.04456	100.0
150.04805	2.4
161.02310	0.7
161.04474	0.6
162.02649	0.3
171.10234	0.8
179.03302	0.4
191.05573	1.1
201.05481	0.3
209.11737	0.4
213.18506	0.7
217.03438	0.5
283.02438	1.1
297.24332	0.9
343.28452	1.4
346.58197	0.4
357.22580	0.4
375.24054	0.9
384.23413	0.3
487.32748	17.3
488.33124	2.4
505.33771	8.6
506.34253	0.9
547.34943	2.4
548.35718	0.6
723.27258	0.5
723.38190	3.2
724.38531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02477	0.4
57.03336	0.8
58.00459	0.6
59.01250	30.4
62.71432	0.4
69.03323	0.7
71.01251	8.3
72.99159	0.6
73.02825	1.8
78.95789	1.4
80.02543	0.5
81.03330	1.1
81.22206	0.4
83.01243	0.7
83.04893	1.6
84.02045	0.4
85.02818	2.1
87.00774	2.0
89.02322	5.1
93.03362	0.4
95.01260	2.2
95.04894	3.7
97.02828	4.6
97.06479	0.8
99.00739	1.0
99.04375	1.1
101.02316	6.2
106.04123	0.7
107.04954	0.6
109.02807	0.9
109.06469	11.5
110.03618	2.4
110.06799	0.6
111.04415	1.8
113.02340	3.2
119.03381	2.1
121.06484	1.3
125.09602	1.0
135.08028	1.6
136.05199	1.2
137.14330	0.5
142.02620	0.7
143.03421	1.0
145.04991	1.1
145.10123	0.8
151.11148	0.8
152.99510	0.7
153.12807	0.9
161.04419	2.5
161.09595	2.2
163.07622	0.6
163.11201	13.6
164.11545	0.7
169.12309	0.5
179.05522	1.4
179.10606	2.1
181.12283	2.9
185.11864	0.9
189.09158	4.3
197.11761	1.4
207.10197	46.6
208.10548	2.8
209.11681	2.2
225.11270	100.0
226.11603	5.8
227.12828	0.7
235.08174	6.6
236.08501	0.8
249.11351	0.6
253.09251	13.3
255.23334	0.5
259.20776	0.5
275.20084	0.9
277.21710	75.4
278.22067	6.2
293.21231	1.2
299.15060	1.1
443.19235	8.3
444.19577	0.6
461.20273	20.5
462.20728	0.9
531.21313	0.5
721.41620	18.0
722.42468	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	721.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
58.00450	3.0
59.01248	39.9
61.98701	53.1
67.12290	1.3
69.03333	2.2
71.01250	39.6
71.50058	2.8
72.99175	2.5
73.02813	6.9
78.95773	31.6
78.98129	1.8
81.03333	2.9
83.01231	3.9
83.04890	2.5
84.38405	1.4
85.02826	10.6
87.00745	6.5
89.01785	1.9
89.02318	28.3
93.03355	2.1
96.96825	2.9
97.02829	4.9
101.02319	25.5
109.06457	2.5
113.02317	15.8
119.03394	8.0
125.02329	9.6
133.02826	3.4
135.04376	5.5
139.03879	1.8
143.03416	2.7
152.99496	12.3
161.02333	9.3
161.04422	4.9
171.10126	3.7
179.03392	5.7
179.05516	7.3
191.05515	3.1
202.06387	1.6
207.10197	2.5
209.09921	3.0
209.11755	41.0
210.12056	2.9
225.11264	3.7
227.12730	2.5
235.08224	11.4
253.09190	3.3
263.20135	69.0
264.20355	5.4
275.20038	2.1
287.07559	3.0
291.19617	2.5
293.21164	16.9
305.08713	2.0
361.98141	1.7
397.13470	100.0
398.13672	8.1
415.14554	31.4
416.15018	1.8
438.03717	1.9
582.73419	2.0
661.34216	2.6
720.83771	2.3
721.34723	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	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03320	1.8
59.01250	30.6
60.01575	0.7
61.98702	10.5
69.03309	1.0
71.01253	15.0
71.50948	0.7
72.99171	0.7
73.02818	6.1
73.45900	0.5
78.95759	1.6
80.96407	0.5
83.01258	2.6
83.04913	1.0
85.02819	5.8
87.00759	3.6
89.02316	30.7
90.02644	0.6
93.03345	0.8
95.01287	1.5
96.95899	0.6
97.02819	1.0
99.00764	1.3
101.02327	7.1
103.00214	0.6
103.03896	2.2
107.04839	0.6
111.00771	0.7
113.02335	4.1
123.04385	0.7
125.02342	1.3
125.09600	0.7
131.03391	7.2
133.02864	4.9
134.03442	0.6
135.03419	1.0
135.04396	7.1
136.04674	1.0
137.02342	0.8
143.03430	1.2
149.04457	100.0
150.04813	2.1
151.11198	0.6
152.99501	0.8
159.02994	0.6
161.02336	9.6
161.04494	1.6
162.02705	3.9
163.02837	0.6
163.11215	0.6
169.12280	0.9
171.10190	2.8
171.11467	0.6
173.04504	1.3
173.06006	0.7
179.03409	9.6
179.05739	0.7
180.03786	3.1
181.03806	1.1
181.12276	1.6
187.07610	0.8
191.05550	3.0
197.11728	4.1
198.12125	0.9
199.13286	1.6
201.05496	0.8
207.10178	1.1
209.11760	8.8
210.12169	2.0
211.13382	2.7
212.13760	0.8
213.09242	0.8
217.03552	0.8
225.11276	2.3
227.12770	0.7
229.08604	1.0
235.08275	0.7
253.09126	0.7
257.08188	1.1
271.02725	0.6
301.07040	0.8
314.04202	1.5
323.22153	4.2
334.90512	0.6
341.27072	0.8
389.38669	0.7
397.13687	1.9
413.25534	1.0
415.14780	0.7
416.65164	0.9
467.30011	1.3
485.31238	12.2
486.31494	1.6
487.14706	0.8
489.14856	0.9
503.32214	7.8
504.32886	1.2
545.33057	2.7
550.26245	0.6
565.15973	1.3
589.28510	1.1
623.17981	0.7
624.17957	1.0
689.33496	4.5
721.25720	1.9
721.36707	4.2
722.25928	0.7
722.37482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83101	0.7
55.01754	1.5
55.15725	0.8
57.03321	2.3
59.01249	10.2
61.98706	6.0
62.56308	0.7
69.21526	7.1
69.21935	1.2
71.01258	9.3
71.04901	3.5
73.02821	2.6
78.95754	1.3
80.02563	1.4
81.03334	1.6
83.01247	1.0
83.04893	3.8
84.02036	0.9
85.02822	4.4
87.00751	2.9
89.02316	6.4
93.03346	1.3
95.01247	1.1
95.04906	1.1
96.95890	1.0
97.02846	3.5
97.06481	3.0
99.00765	18.7
101.02319	4.8
108.17677	0.7
109.06488	1.6
113.02337	7.0
119.03432	1.7
121.02820	0.9
123.08078	2.3
125.09627	8.6
127.51247	0.7
131.03519	0.9
133.02847	12.4
134.03264	3.0
135.04414	15.4
135.61899	0.8
136.04764	5.1
137.02322	1.0
141.51842	0.9
142.02658	0.9
148.93610	0.9
149.04469	9.3
153.09059	1.1
153.12770	1.0
161.02356	30.2
161.04521	2.3
162.02708	11.2
162.04868	0.9
163.02872	3.5
163.11215	13.8
164.11420	0.9
165.12801	1.9
171.10207	3.3
173.04485	1.4
173.05989	1.0
179.03438	21.6
180.03786	8.6
181.03929	3.1
181.12285	18.9
186.40218	1.0
191.05611	2.0
192.80666	0.8
197.11697	1.9
199.13344	12.6
201.05556	0.8
203.03529	1.0
207.10228	26.3
208.10542	1.2
209.11786	41.6
210.12140	2.6
213.09296	1.2
225.11288	40.1
226.11661	1.9
227.12923	3.1
235.08398	1.2
243.12378	23.4
244.12503	1.6
253.09277	3.0
376.91275	0.8
420.09778	0.9
420.41367	0.9
461.20459	2.2
479.21484	6.9
485.31256	0.9
487.14792	1.5
488.14584	1.9
489.15161	3.5
589.18634	1.0
615.73004	1.0
616.23297	1.1
624.19666	4.4
671.32770	2.3
689.33899	100.0
690.34271	20.3
721.25659	9.5
721.37140	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	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.03320	1.8
59.01250	30.6
60.01575	0.7
61.98702	10.5
69.03309	1.0
71.01253	15.0
71.50948	0.7
72.99171	0.7
73.02818	6.1
73.45900	0.5
78.95759	1.6
80.96407	0.5
83.01258	2.6
83.04913	1.0
85.02819	5.8
87.00759	3.6
89.02316	30.7
90.02644	0.6
93.03345	0.8
95.01287	1.5
96.95899	0.6
97.02819	1.0
99.00764	1.3
101.02327	7.1
103.00214	0.6
103.03896	2.2
107.04839	0.6
111.00771	0.7
113.02335	4.1
123.04385	0.7
125.02342	1.3
125.09600	0.7
131.03391	7.2
133.02864	4.9
134.03442	0.6
135.03419	1.0
135.04396	7.1
136.04674	1.0
137.02342	0.8
143.03430	1.2
149.04457	100.0
150.04813	2.1
151.11198	0.6
152.99501	0.8
159.02994	0.6
161.02336	9.6
161.04494	1.6
162.02705	3.9
163.02837	0.6
163.11215	0.6
169.12280	0.9
171.10190	2.8
171.11467	0.6
173.04504	1.3
173.06006	0.7
179.03409	9.6
179.05739	0.7
180.03786	3.1
181.03806	1.1
181.12276	1.6
187.07610	0.8
191.05550	3.0
197.11728	4.1
198.12125	0.9
199.13286	1.6
201.05496	0.8
207.10178	1.1
209.11760	8.8
210.12169	2.0
211.13382	2.7
212.13760	0.8
213.09242	0.8
217.03552	0.8
225.11276	2.3
227.12770	0.7
229.08604	1.0
235.08275	0.7
253.09126	0.7
257.08188	1.1
271.02725	0.6
301.07040	0.8
314.04202	1.5
323.22153	4.2
334.90512	0.6
341.27072	0.8
389.38669	0.7
397.13687	1.9
413.25534	1.0
415.14780	0.7
416.65164	0.9
467.30011	1.3
485.31238	12.2
486.31494	1.6
487.14706	0.8
489.14856	0.9
503.32214	7.8
504.32886	1.2
545.33057	2.7
550.26245	0.6
565.15973	1.3
589.28510	1.1
623.17981	0.7
624.17957	1.0
689.33496	4.5
721.25720	1.9
721.36707	4.2
722.25928	0.7
722.37482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.2
60.01598	0.2
61.98702	100.0
62.98391	0.2
69.85226	0.8
71.01286	0.4
78.95784	0.8
84.03825	0.2
85.02837	0.3
85.63754	0.2
89.02331	0.3
109.06470	0.2
113.02348	0.3
133.02835	0.2
135.04408	0.5
152.99515	0.3
161.02364	0.5
163.11203	0.3
179.03436	0.2
191.05647	0.2
207.10248	0.6
209.11810	0.2
210.12213	0.2
211.13416	0.6
225.11317	1.1
235.08224	0.2
277.21667	1.8
279.23315	0.4
414.45395	0.2
443.19684	0.2
498.14166	0.3
499.14722	0.5
500.14685	0.2
513.17175	0.2
514.16498	0.2
515.17548	0.2
570.19208	0.3
574.18768	0.3
588.22717	0.2
601.21320	0.4
602.21887	1.0
660.23059	0.7
720.23816	3.9
721.24017	0.6
721.40491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01585	0.8
61.98705	2.5
63.04816	0.2
69.19560	2.1
71.01260	0.8
71.49370	0.2
78.95776	1.7
85.02840	0.4
89.02322	0.2
109.06454	0.3
113.02322	0.4
118.47313	0.2
133.02831	1.0
135.04457	0.9
145.02986	0.2
152.99512	0.9
155.19090	0.2
161.02342	2.6
179.03415	2.0
207.10330	0.3
209.11803	1.6
211.13440	0.4
225.11472	0.3
257.80872	0.2
289.18018	0.2
291.19684	0.4
297.56552	0.2
324.22067	0.2
487.14340	0.2
557.31158	0.4
687.33997	0.3
719.26062	0.5
719.37531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39486	1.0
57.03325	2.1
59.01249	36.5
61.98701	7.0
62.81351	0.8
69.03326	2.2
71.01253	37.6
71.50675	1.5
72.99200	2.6
73.02821	14.6
74.61832	1.0
75.00728	1.4
81.03293	1.1
83.01244	1.1
83.04914	1.3
83.36561	0.9
85.02821	12.3
87.00758	2.9
89.02319	40.4
93.03304	1.8
95.01235	3.3
96.95896	1.3
97.02834	3.2
99.00758	32.7
100.11034	0.8
101.02323	15.2
103.79214	1.0
107.04913	1.0
109.02865	1.0
113.02330	17.3
119.03363	2.3
123.04403	1.3
125.02317	3.5
131.03380	3.9
132.02100	2.4
133.02849	37.5
134.03569	3.5
135.04419	29.0
136.04700	1.4
137.02379	1.4
149.04474	6.9
151.03888	2.1
159.04347	1.4
161.02356	89.4
161.04491	2.9
162.02730	5.5
163.11166	1.2
165.01869	1.1
169.12201	1.1
171.10156	1.8
173.05908	1.5
179.03416	36.9
180.03781	2.7
187.03900	1.5
187.07526	3.8
191.05559	9.2
192.05832	1.1
197.11749	1.3
201.05466	2.3
201.11186	1.3
202.06277	4.4
207.10201	2.3
209.11772	14.3
211.13368	5.0
223.09572	1.3
223.13348	2.0
225.11246	2.5
227.12831	2.9
229.08661	0.9
231.10144	3.2
233.06697	1.0
251.05609	2.5
253.09282	1.1
254.02229	1.9
269.04489	1.5
273.16910	1.1
275.20160	2.7
293.21225	18.8
294.21597	1.7
313.03500	7.9
314.04166	3.8
315.05087	1.8
323.07770	2.1
397.13162	1.3
455.26227	1.9
487.14478	5.1
557.22150	8.8
558.22791	1.3
587.30701	100.0
588.31036	17.7
606.12152	1.1
615.73523	1.3
621.18298	3.4
622.15179	6.1
669.31476	1.6
685.68304	1.1
687.32312	3.9
701.24658	1.2
718.79047	1.8
719.25195	29.2
719.35217	29.2
720.24567	8.7
720.37305	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	719.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.0
57.03333	1.3
59.01245	8.2
61.67896	0.6
61.98705	4.6
69.03325	1.9
69.73934	0.6
70.37650	2.4
71.01254	9.7
71.04893	1.8
72.99178	1.0
73.02808	1.7
81.03312	0.9
83.01260	0.9
83.04903	1.9
83.33221	0.6
85.02822	7.7
85.89334	0.7
85.95605	0.5
87.00748	1.2
89.02324	3.9
93.03337	0.7
95.01250	3.3
99.00736	1.1
101.02324	3.6
105.03320	0.7
105.92878	0.6
106.04079	0.6
109.02842	2.1
113.02328	11.6
117.02078	0.6
117.03351	1.8
119.03380	0.9
121.02792	0.8
123.04430	1.6
123.08061	0.8
125.09607	1.4
132.02078	2.7
133.02846	37.3
134.03645	7.8
135.04411	50.0
136.04771	2.2
137.02319	3.0
149.04503	0.7
150.03123	1.3
151.11194	1.9
153.49110	0.7
159.04359	1.0
161.02348	80.2
161.09641	2.3
162.02696	2.8
163.11183	2.4
165.01920	0.8
165.12849	1.0
177.05522	1.2
178.02670	4.9
179.03416	100.0
179.10660	4.0
180.03795	4.5
181.61723	0.7
187.07571	1.4
191.05591	0.8
197.11761	40.6
198.12035	1.6
202.06133	1.2
203.03464	2.4
207.10225	0.7
209.11771	25.6
210.12086	1.4
211.13290	1.1
221.04601	0.7
223.09781	0.9
225.11317	1.4
227.12808	2.5
231.10179	1.4
233.04552	1.3
235.08052	0.9
241.10909	2.0
242.01996	1.1
245.04681	0.8
251.05577	2.5
253.09270	1.2
254.35020	0.7
257.04529	0.8
257.77240	0.6
299.01834	1.0
305.06671	1.2
313.03598	4.3
314.04395	1.8
323.07867	2.5
325.09351	2.2
477.19858	1.2
487.14566	16.7
488.14804	1.4
557.22345	2.4
621.18036	1.7
622.19153	15.4
623.19348	2.6
687.32312	49.3
688.32642	6.1
719.25262	11.8
719.35315	11.0
720.26245	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	719.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01248	3.2
61.98695	2.0
69.03316	0.6
69.22255	1.0
69.22665	3.4
71.01251	5.4
71.24787	0.4
73.49379	0.5
78.88375	0.4
79.67535	0.4
85.02821	6.9
87.00742	0.5
87.29217	0.4
89.02318	1.7
95.01254	2.5
101.02372	0.8
102.10896	0.4
105.03326	1.1
105.27357	0.4
107.04903	0.9
109.02843	2.2
113.02328	10.9
114.02654	0.4
117.03339	1.0
123.04419	1.4
132.02036	2.2
133.02847	38.0
134.03653	9.6
135.04411	46.8
136.04753	1.6
137.02368	2.8
139.03899	1.1
143.03397	0.9
150.03110	0.7
151.03946	0.7
153.01897	0.4
153.05472	0.7
160.81383	0.5
161.02347	88.4
162.02676	4.1
165.01898	0.4
172.08446	0.4
174.23935	0.4
175.03760	0.5
176.48424	0.5
177.05446	0.9
178.02638	5.5
179.03410	100.0
180.03749	4.2
191.05482	0.6
203.03409	2.0
217.04883	0.5
221.04457	0.7
227.69836	0.5
233.04503	1.0
245.04485	0.9
251.05600	2.1
305.06705	1.0
313.03668	0.8
323.07623	2.3
325.09235	3.7
376.68320	0.5
477.14105	0.8
486.13611	0.8
487.14554	18.2
488.14728	1.4
490.63995	0.4
557.22229	0.6
621.18317	2.8
622.19080	13.3
623.19421	2.9
719.25513	14.9
720.25616	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	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03628	0.4
53.68019	0.5
55.01764	0.9
57.03330	1.4
59.01249	7.2
61.98702	1.6
64.37296	0.5
69.03340	3.3
69.20930	3.4
69.21353	1.5
71.01251	8.2
71.04885	1.5
72.99188	0.6
73.02823	0.8
80.02577	0.7
81.03345	1.7
82.40903	0.5
83.01260	1.1
83.04900	3.1
84.02036	0.7
85.02818	7.4
87.00764	1.3
87.99483	0.5
89.02314	2.9
93.03335	1.1
95.01248	2.8
95.04897	0.5
97.02835	0.8
97.06485	1.0
99.00786	0.5
101.02328	3.3
105.03363	0.9
107.04898	0.6
109.02825	1.7
109.06471	0.5
113.02335	11.7
117.03365	0.9
121.02795	0.8
123.04443	1.2
123.08053	0.5
125.05983	0.5
125.09624	1.7
132.02042	1.9
133.02849	33.6
134.03656	7.2
135.04417	47.3
136.04750	2.5
137.02370	2.5
139.03902	0.8
151.03922	0.7
151.11186	2.0
153.05458	1.1
153.12743	1.1
160.01564	0.6
161.02350	74.6
161.04520	2.4
161.09581	2.6
162.02701	4.5
163.11256	2.5
165.12779	1.5
175.03987	0.5
177.05528	0.9
178.02672	4.7
179.03418	100.0
179.10654	5.3
180.03740	4.0
191.10725	0.7
197.11765	46.0
198.12137	1.9
201.05339	0.7
203.03450	2.1
209.11772	44.0
210.12057	2.6
223.09688	0.7
227.12778	2.9
233.04491	0.9
241.10802	2.4
245.04507	0.7
251.05562	1.6
253.09293	2.7
273.46359	0.5
313.03540	1.1
314.04105	1.5
323.07745	2.3
325.09232	2.3
469.13086	0.6
477.19705	1.4
485.13083	0.6
486.13925	0.9
487.14545	18.7
488.14850	2.2
557.22156	0.7
621.18024	1.7
622.19043	12.1
623.19519	3.4
687.32306	63.6
688.32629	12.3
719.25189	6.0
719.35175	9.5
720.24829	2.4
720.35999	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	718.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.1
59.01240	1.0
61.98701	100.0
62.98412	0.2
63.87672	0.1
64.67662	0.1
66.65846	0.1
71.01262	0.9
71.30363	0.2
72.19928	0.1
73.02815	0.1
75.00761	0.2
78.95792	0.2
80.96408	0.1
83.04922	0.2
85.02862	0.3
89.02329	0.4
93.03314	0.1
93.35781	0.1
95.01259	0.1
101.02319	0.2
108.97295	0.1
109.06474	0.1
113.02345	0.6
119.03387	0.1
121.02865	0.1
123.04311	0.1
125.02357	0.1
125.09636	0.2
132.02104	0.1
133.02847	1.8
134.03665	0.5
134.04539	0.1
135.04411	3.7
136.04779	0.1
137.02316	0.2
143.03485	0.1
149.04445	0.2
161.02345	3.5
162.54279	0.1
171.10069	0.2
173.04483	0.2
173.05928	0.1
177.05533	0.1
178.02705	0.2
179.03419	6.0
180.03798	0.2
181.05080	0.2
187.07520	0.2
191.05595	0.3
201.05614	0.2
202.06430	0.1
207.10240	0.4
209.11804	0.8
210.12149	0.3
211.13278	0.2
225.11375	0.2
229.08594	0.2
229.57301	0.1
230.09425	0.1
253.09457	0.2
273.17212	0.3
274.17557	0.1
487.14893	0.3
586.36304	0.3
610.54865	0.1
621.18164	0.1
622.19342	0.2
643.70966	0.1
718.26111	0.2
718.38275	0.2
719.24634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
55.83651	0.8
57.01612	0.9
57.03305	1.4
59.01245	5.3
61.98693	1.5
63.26395	0.9
65.84231	0.9
71.01245	6.4
71.04887	2.9
72.99173	1.1
73.02831	1.1
78.03479	1.0
78.95765	1.2
83.41206	0.9
85.02820	1.7
87.00740	1.0
89.02296	3.5
97.02827	2.5
97.06455	1.8
98.20573	2.5
99.00761	10.9
101.02306	3.6
109.06436	1.0
113.02325	2.0
116.87333	0.9
119.03443	1.5
123.08067	1.4
125.09616	6.3
135.08063	1.1
136.05128	1.0
142.02583	1.3
163.11205	6.9
171.10214	5.1
181.12260	12.2
183.81874	0.9
197.11699	1.4
199.13341	15.3
207.10201	23.1
208.10558	1.2
225.11285	38.0
226.11606	1.6
226.80530	1.0
229.19809	1.1
235.08173	3.2
238.35091	0.9
243.12355	6.8
253.09232	3.6
255.23276	92.9
256.23502	7.5
461.19913	2.5
479.21057	1.2
699.42828	4.5
700.43475	1.1
717.44281	100.0
718.44598	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	717.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62574	1.0
57.03062	1.4
57.03325	27.5
58.84297	0.8
59.01253	49.8
60.79875	0.9
65.93005	0.9
70.92601	0.8
71.01248	6.0
71.49585	1.5
71.49953	0.9
73.02828	2.3
83.01262	1.7
83.04881	1.6
85.02829	3.4
89.02322	7.7
93.03365	1.0
95.01247	1.0
95.04905	2.6
97.02827	5.4
99.04394	20.1
101.02314	8.9
107.04906	3.2
108.02024	1.5
109.02827	5.2
109.06468	3.9
111.04396	4.0
113.02317	4.1
119.03389	1.1
119.39854	0.8
121.06489	3.1
122.03612	8.8
123.04407	2.7
124.05195	12.8
125.02350	5.5
125.06026	6.0
131.03404	3.0
133.02838	3.0
133.06499	7.2
134.03636	3.6
135.04395	7.1
135.08058	1.2
137.05997	13.5
139.07547	98.7
140.07904	4.1
147.08037	4.0
149.04460	8.6
149.05972	2.6
150.03149	1.4
151.03917	1.6
153.05470	1.3
153.72809	1.0
161.02444	5.0
161.04451	13.2
163.07550	1.4
163.11121	1.0
165.05476	1.7
168.07848	18.8
169.08621	6.0
177.01898	1.1
177.05513	1.0
177.12735	1.8
178.02608	1.9
179.03436	3.1
179.05516	1.5
181.08624	3.2
187.11206	15.1
189.09245	1.2
190.09924	3.6
191.05534	5.0
193.05003	8.7
205.12265	35.6
206.12648	1.2
210.08958	1.9
211.09689	3.4
211.64432	1.0
213.05438	1.1
217.12292	3.0
229.12312	1.0
231.10265	3.5
235.13419	5.2
243.09996	1.2
249.11343	4.0
261.11340	3.1
273.11334	2.0
279.12363	100.0
280.12683	8.2
293.08942	1.3
303.12314	2.9
321.13474	7.4
322.13675	1.1
323.10272	1.2
352.37927	1.0
361.16525	1.6
363.14502	1.3
423.16571	34.2
424.17017	3.3
441.17749	8.4
465.17630	1.4
496.81839	1.0
537.19678	4.3
552.10974	1.3
555.20837	41.9
556.20642	5.0
561.50909	1.0
585.21759	23.7
586.22327	2.8
637.20056	1.4
650.91199	1.0
717.26208	33.7
718.26770	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	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83948	1.2
59.01250	100.0
59.50115	1.7
60.01603	1.3
61.07103	1.3
61.98701	53.2
71.01289	2.0
77.12572	1.5
78.95759	3.6
84.04380	1.1
87.82417	1.4
89.02325	1.4
89.84216	1.4
106.74032	1.3
133.02829	1.3
146.74277	1.4
152.99480	2.4
171.10147	1.6
179.03424	2.2
191.05385	1.3
209.11703	2.4
235.08154	1.9
243.98128	1.3
246.31410	1.2
279.74951	1.2
328.79422	1.3
353.10168	1.4
369.49512	1.3
453.12024	2.4
457.18878	1.8
481.11603	3.2
495.12509	1.5
496.13928	12.0
497.14346	5.2
498.15237	2.7
508.66968	1.7
510.15253	4.7
511.16034	6.1
512.16553	2.8
513.17896	3.4
528.13074	1.6
538.15454	2.4
544.15955	2.9
567.18860	5.8
568.18787	2.0
570.17303	1.6
571.17944	7.5
589.20056	1.8
598.20300	3.2
599.21393	25.0
600.21753	5.8
602.16125	2.0
625.19244	2.9
630.20276	2.2
631.19800	1.3
657.21997	13.3
658.22443	4.1
717.24200	78.1
718.24597	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
61.98701	100.0
62.98405	0.2
71.01262	0.2
83.50287	0.1
89.02320	0.1
89.09309	0.0
101.02345	0.1
115.51174	0.1
126.90578	0.0
148.24886	0.1
170.51112	0.1
255.23399	0.2
256.23688	0.2
257.23956	0.1
277.67422	0.1
279.73123	0.0
294.58795	0.1
397.13464	0.1
398.14020	0.2
399.14087	0.2
400.14566	0.1
417.15521	0.1
496.13763	0.1
567.18829	0.1
570.18622	0.1
599.21399	0.1
657.21490	0.1
717.23914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
61.75069	0.1
61.98706	100.0
62.98412	0.2
65.94876	0.1
71.01266	0.1
82.90119	0.1
89.02312	0.2
98.20513	0.1
99.77110	0.1
101.02351	0.1
108.81779	0.1
109.77233	0.1
126.17709	0.1
220.31462	0.1
255.23383	0.2
256.23770	0.1
382.54160	0.1
397.13354	0.1
398.13919	0.1
399.14087	0.2
400.14752	0.1
417.15295	0.1
502.25900	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30242	0.7
51.91334	0.7
59.01250	100.0
60.01580	0.8
61.98699	5.4
67.44588	0.6
78.95769	1.2
83.25489	0.7
92.90192	0.6
100.98541	0.6
113.09517	0.6
124.19772	0.6
131.77745	0.6
159.92902	0.6
180.48328	0.6
209.58057	0.6
215.91888	0.6
229.41902	1.0
255.23373	1.3
277.21558	0.8
441.15509	0.9
453.11975	2.3
454.12427	0.7
457.18973	1.9
459.16547	1.8
467.13629	1.9
471.16150	0.7
481.11557	2.4
481.15720	0.8
482.11865	1.2
490.60425	0.9
494.15192	0.7
495.17142	1.4
496.13855	15.0
497.14377	8.5
498.15375	2.2
509.14966	1.0
510.15558	4.6
511.16199	8.6
512.17145	3.3
513.18036	3.9
528.12787	1.5
530.14581	1.3
539.19305	2.7
544.15875	4.4
545.16620	2.1
553.17059	1.5
567.18884	10.6
568.18939	2.5
570.17816	2.3
571.18243	10.4
572.18909	2.2
583.18066	1.7
589.19556	1.2
590.19946	1.1
593.16412	0.9
597.19958	2.1
598.20990	3.7
599.21503	35.3
600.21832	9.1
602.16510	2.5
603.17084	0.8
614.19977	0.9
630.19312	1.2
631.20105	1.3
657.22034	16.5
658.22211	4.8
717.24146	76.2
718.24384	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	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
58.81889	0.6
59.01259	4.2
61.98699	1.2
62.12877	0.5
68.69947	0.5
69.03323	3.3
71.01250	3.5
71.04884	0.8
71.48930	0.6
71.49380	0.8
78.95779	0.8
83.01260	0.7
83.04893	0.5
85.02818	1.1
89.02311	1.7
101.02327	3.8
113.02317	1.5
120.34297	0.6
123.08025	0.6
125.09591	1.8
151.11162	2.4
153.12785	0.8
153.39937	0.6
161.04453	1.3
161.09560	4.0
179.10686	7.0
186.17506	0.6
197.11757	32.7
198.12117	1.7
209.11780	1.2
223.09691	1.6
235.08086	1.1
237.21501	0.5
241.10738	2.0
253.09238	2.4
255.23265	67.0
256.23599	5.2
278.15417	0.5
302.14816	0.6
430.35431	0.7
442.30118	0.6
459.18790	0.7
477.19626	1.4
487.31503	0.7
517.06567	0.6
579.38446	0.7
715.42731	100.0
716.43109	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	715.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45317	1.2
55.01755	1.4
57.03321	2.2
58.00461	2.7
59.01251	100.0
61.98708	27.1
69.26432	6.0
69.26863	6.3
71.01254	42.3
72.99161	4.6
73.02820	6.9
81.03365	1.1
82.93351	1.0
83.01252	3.3
85.02824	14.8
87.00740	4.1
88.98682	3.5
89.01762	2.7
89.02319	48.1
93.03311	1.3
95.01260	4.4
97.88269	1.0
99.00709	2.2
101.02327	23.1
108.41286	1.3
111.08078	1.2
113.02328	26.0
118.47700	1.2
119.03402	15.3
119.04912	2.8
122.24942	1.3
125.02358	1.9
131.03384	4.0
132.77989	1.2
133.02835	4.4
134.03598	2.3
135.04416	20.7
135.08037	4.0
143.03424	2.7
149.03322	2.6
149.04459	47.1
150.04768	1.7
151.03873	2.3
161.02336	8.6
161.04442	7.5
163.03905	2.3
165.03957	2.4
179.03429	12.7
179.05528	6.7
180.03720	1.7
187.09615	1.3
191.05528	3.4
198.12196	1.1
209.11795	2.7
311.07761	7.9
364.79932	1.6
410.70410	1.2
439.25153	1.3
583.34943	1.3
611.34387	44.2
612.34875	8.1
629.35370	39.7
630.36267	7.1
671.36566	14.7
672.36664	1.4
672.49725	1.5
688.32666	4.5
689.33154	1.8
715.28888	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	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62619	1.0
57.03321	1.3
59.01247	12.3
61.98704	22.8
64.51263	0.9
64.91663	1.0
69.03311	3.6
71.01254	5.2
71.42474	1.4
73.02802	1.5
75.00745	3.3
78.95765	2.2
81.03329	1.5
83.04911	2.3
85.02825	1.4
89.02327	2.9
93.03330	1.6
96.95876	1.2
99.04356	1.1
101.02347	5.1
111.04407	1.0
113.02319	2.4
119.03407	1.3
133.02837	3.4
135.04385	3.2
137.02298	1.3
149.04454	1.8
152.38040	1.0
160.01503	1.5
161.02342	3.5
163.11214	2.8
165.12735	3.4
171.10193	4.4
173.04483	1.3
175.03957	1.8
179.03334	1.9
181.12268	3.3
191.05476	2.8
191.07050	1.3
191.10754	5.1
193.04996	1.4
197.11797	3.1
203.07047	1.1
207.10074	1.7
209.11780	100.0
210.12177	5.4
211.13292	1.6
223.13298	2.1
227.12804	7.5
230.09323	2.1
235.05995	2.6
235.08174	2.0
253.09216	4.3
265.52325	1.0
295.07950	1.2
325.36703	1.1
398.91745	1.1
401.67078	1.0
445.20837	4.8
637.31750	1.5
683.33081	3.2
715.33398	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	715.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03301	1.4
58.00462	7.1
59.01249	100.0
61.98703	3.0
71.01250	70.9
72.01614	1.3
72.99174	5.5
73.02795	2.3
75.00756	1.3
82.61189	1.2
83.01256	1.2
85.02828	12.2
87.00754	7.7
89.02316	97.9
90.02676	1.4
93.03331	2.4
95.01268	4.4
96.95863	2.4
99.00699	1.3
101.02323	37.4
104.05268	1.3
108.02058	2.9
111.00765	2.0
113.02335	27.9
117.03345	2.5
119.03389	44.3
121.02843	3.5
122.03598	1.4
123.04393	1.8
125.02332	1.8
131.03412	6.3
133.02856	2.5
134.03606	3.0
135.04385	3.0
136.01552	29.7
143.03409	8.9
145.02867	12.3
146.03511	1.7
147.04391	3.3
149.02371	1.7
149.04474	4.7
150.03125	3.8
151.03903	31.0
152.04326	1.2
156.35155	1.2
160.01582	1.2
161.02354	12.3
161.04430	6.0
162.03136	93.7
163.03642	4.2
165.05420	1.7
173.04462	2.4
177.05486	90.0
178.05792	4.3
179.03462	1.1
179.03783	1.4
179.05515	18.6
180.04192	3.6
191.05536	3.3
193.04977	1.9
195.06624	7.8
255.90076	1.2
271.02390	2.8
299.02011	9.5
327.12604	1.5
357.13449	10.7
358.13361	1.2
517.18652	6.2
619.63263	1.3
715.25940	4.4
716.27026	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	715.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83282	0.2
59.01246	2.8
61.98704	5.4
69.03316	0.3
71.01251	5.1
73.02816	2.9
78.95766	0.2
81.08766	0.2
85.02825	0.5
87.00748	1.8
88.98661	0.4
89.02316	22.4
90.02652	0.3
96.95886	0.3
101.02323	0.9
103.03891	1.8
113.02349	0.5
119.03355	0.3
131.03395	5.6
133.02875	2.1
134.03644	1.7
135.04416	24.8
136.04747	1.0
149.04459	100.0
150.04829	2.7
151.03925	0.5
161.02350	4.3
161.04465	0.4
162.02724	0.5
173.04507	0.5
175.03851	0.3
178.02541	0.2
179.03418	20.0
180.03804	0.9
191.05544	1.1
209.11807	0.3
216.40987	0.2
220.55716	0.3
285.04016	0.3
311.07718	15.7
312.08063	0.9
466.42773	0.2
513.20386	0.3
680.83490	0.2
715.29883	0.8
715.79071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59520	1.4
59.01245	7.3
61.98684	2.7
67.55351	1.3
69.03323	3.6
71.01245	4.9
78.95761	4.1
87.00703	1.7
89.02316	2.9
97.06494	1.4
101.02330	4.3
104.64949	1.5
105.93042	1.4
111.84541	1.4
113.02352	3.0
119.03376	1.7
125.09637	1.6
135.04372	1.7
142.56586	1.6
143.07715	1.3
151.11198	2.0
151.50484	1.5
152.99506	2.9
157.08614	19.8
161.02354	2.1
161.04614	1.6
161.09596	3.8
179.03421	2.2
179.10704	7.2
197.11778	32.6
198.12253	2.0
209.11768	4.0
253.09192	3.1
253.21704	71.7
254.22021	6.8
255.23232	3.9
267.23187	5.9
277.21735	11.4
349.83395	1.5
359.76428	1.6
477.20016	2.2
713.41089	100.0
714.41565	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	714.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06836	0.1
59.01256	0.4
61.98702	100.0
62.98415	0.1
71.01254	0.4
78.95805	0.1
89.02332	0.3
101.02325	0.3
119.03378	0.1
161.02431	0.1
171.10175	0.1
223.13499	0.2
225.37813	0.1
253.21843	0.2
254.22160	0.3
277.21677	0.2
278.22150	0.2
301.74796	0.1
397.13589	0.6
398.13998	0.5
399.14044	0.3
400.14603	0.2
415.14398	0.1
714.33936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01720	1.5
57.03326	5.7
59.00957	2.7
59.01250	47.2
61.98700	15.8
69.03320	9.1
71.01250	22.5
71.04887	2.4
71.50040	1.6
72.99181	2.4
73.02811	5.2
75.00750	3.8
78.95763	7.3
79.95584	1.5
80.96353	1.9
81.03347	4.1
83.01251	3.1
83.04887	6.7
85.02816	8.6
87.00757	5.4
89.02312	14.1
93.03337	6.3
95.01250	1.9
95.04893	3.6
97.02810	11.1
97.06464	3.2
101.02329	16.5
107.04926	2.0
109.06471	35.7
111.04417	2.7
111.08059	3.1
113.02303	10.8
119.03356	3.5
121.02789	1.9
121.06464	2.8
125.02361	2.3
125.09599	1.8
133.02852	6.6
135.04422	6.6
135.08076	3.7
136.05101	2.2
142.02591	2.9
152.99478	2.6
153.09157	2.4
161.02328	15.5
161.04446	4.6
161.09584	2.6
162.02728	2.2
163.03918	1.6
163.11201	17.6
164.11494	2.2
165.09175	1.6
165.12755	6.7
171.10184	10.9
173.04518	3.9
173.05914	1.7
179.03394	7.7
179.10721	1.8
180.03767	2.1
181.12270	15.1
185.11763	6.5
187.07632	1.8
191.05540	31.2
191.10742	15.6
192.05823	1.7
201.11330	2.2
202.06296	1.8
207.10197	80.3
208.10564	6.7
209.11763	100.0
210.12059	7.7
211.02162	1.6
211.13390	3.0
221.11694	1.7
225.11261	46.3
226.11589	3.1
229.08665	2.2
230.09351	2.5
235.08238	8.5
249.11314	2.7
253.09229	15.2
273.15076	1.9
287.13425	1.6
311.20093	2.3
371.22073	5.7
381.20587	10.5
382.20944	1.8
389.23370	4.4
399.21753	20.6
417.22910	8.9
421.77997	1.8
443.19220	6.7
445.20734	7.6
461.20200	9.1
471.61096	1.5
607.30695	3.2
617.29169	5.3
635.30670	43.0
636.31073	9.9
653.31647	40.3
654.31885	8.8
712.78796	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	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17520	0.4
54.16751	0.3
55.01762	1.5
57.03328	0.7
59.01251	100.0
60.01587	1.3
71.01254	10.7
71.02930	1.1
72.99190	0.6
73.02824	9.1
73.03242	0.5
75.00749	0.6
79.46378	0.5
83.01276	1.9
85.02818	7.0
85.03290	0.5
87.00770	0.9
89.02310	0.8
95.01273	0.9
97.02879	0.6
99.00760	1.9
101.02322	11.5
113.02346	4.7
119.04917	0.7
135.04463	0.8
149.04494	0.9
159.02910	1.0
161.02443	0.6
161.04475	10.0
163.03987	0.9
179.03369	0.4
185.12526	0.4
191.05496	1.9
193.33397	0.4
203.32527	0.4
205.47697	0.4
221.60492	0.4
251.09363	0.6
269.10300	35.8
270.10693	2.6
285.04169	0.7
311.11316	13.3
312.11896	1.2
711.18530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.0
59.00967	2.8
59.01252	47.6
61.98387	2.8
61.98704	52.6
71.01250	28.9
71.49878	1.9
72.99182	2.6
73.02802	5.4
78.95786	4.9
81.74467	1.7
83.01270	3.5
85.02819	6.4
87.00751	7.6
89.02319	22.7
97.02815	5.7
97.06435	2.0
101.02322	21.7
113.02335	12.1
118.35114	1.9
119.03402	6.0
125.02331	6.3
139.69907	1.9
143.03381	3.8
153.01831	2.5
161.02342	4.5
161.04448	5.4
171.10219	2.4
179.05524	6.4
181.05011	3.0
199.09715	4.4
209.11539	1.8
211.13213	1.9
221.06516	3.4
235.08224	10.5
246.32886	2.0
253.09218	5.3
253.21709	84.0
254.21938	5.6
287.07687	4.2
293.21176	4.3
305.08856	3.8
397.13486	100.0
398.13901	6.4
415.14609	34.1
416.15076	3.2
547.41949	2.2
649.37561	5.3
651.36359	3.6
711.26703	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01252	4.6
61.98696	1.3
63.02274	0.6
64.99900	0.3
65.00202	1.0
69.22430	2.3
71.01254	2.8
72.99173	0.3
73.02819	1.0
77.17603	0.2
83.01254	1.3
85.02836	1.4
87.00761	0.6
88.98661	0.3
89.00204	0.4
89.02317	1.0
93.03311	0.6
95.01263	0.7
97.02805	0.3
101.02316	1.9
107.01253	1.6
109.02834	1.3
111.00763	0.3
113.02335	1.1
116.92740	0.4
117.03389	0.2
119.03374	0.4
119.04893	0.2
121.02869	0.6
125.02328	0.5
131.04924	0.4
133.02837	2.0
134.03723	0.4
135.00763	0.5
135.04399	0.6
143.03404	0.4
143.04927	0.9
145.02850	0.3
146.03539	0.2
147.00774	0.6
147.04425	0.4
149.04457	0.3
151.00279	4.0
155.04912	0.8
157.02840	0.8
159.04344	0.4
161.02361	1.0
161.04465	0.8
161.05930	0.3
163.03929	0.3
169.02777	0.3
171.04427	2.5
173.02263	0.3
173.04494	0.5
173.05859	0.3
175.03888	1.1
178.99748	1.0
179.03378	0.6
179.05302	0.3
182.03638	0.3
183.04417	0.6
185.02269	0.2
187.03952	1.4
187.07603	0.6
189.05412	0.3
191.05569	2.1
197.02386	0.4
198.03049	0.6
199.03923	6.7
200.04329	0.3
201.01910	1.8
201.05476	0.5
202.06300	0.5
203.03429	0.8
211.03964	0.3
213.01875	0.4
214.02507	0.3
215.03424	2.7
226.02605	1.2
227.03444	2.8
228.03726	0.3
229.08665	0.5
230.09402	1.2
231.10037	0.3
242.02249	0.7
243.02927	4.5
255.02969	2.2
271.02463	43.6
272.02814	2.8
282.01648	0.6
299.01944	100.0
300.02438	10.9
301.03473	4.3
302.03799	0.4
535.31390	0.4
614.22198	0.5
651.39465	3.6
669.40741	2.4
711.28632	0.4
711.40833	0.9
726.19958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01252	4.6
61.98696	1.3
63.02274	0.6
64.99900	0.3
65.00202	1.0
69.22430	2.3
71.01254	2.8
72.99173	0.3
73.02819	1.0
77.17603	0.2
83.01254	1.3
85.02836	1.4
87.00761	0.6
88.98661	0.3
89.00204	0.4
89.02317	1.0
93.03311	0.6
95.01263	0.7
97.02805	0.3
101.02316	1.9
107.01253	1.6
109.02834	1.3
111.00763	0.3
113.02335	1.1
116.92740	0.4
117.03389	0.2
119.03374	0.4
119.04893	0.2
121.02869	0.6
125.02328	0.5
131.04924	0.4
133.02837	2.0
134.03723	0.4
135.00763	0.5
135.04399	0.6
143.03404	0.4
143.04927	0.9
145.02850	0.3
146.03539	0.2
147.00774	0.6
147.04425	0.4
149.04457	0.3
151.00279	4.0
155.04912	0.8
157.02840	0.8
159.04344	0.4
161.02361	1.0
161.04465	0.8
161.05930	0.3
163.03929	0.3
169.02777	0.3
171.04427	2.5
173.02263	0.3
173.04494	0.5
173.05859	0.3
175.03888	1.1
178.99748	1.0
179.03378	0.6
179.05302	0.3
182.03638	0.3
183.04417	0.6
185.02269	0.2
187.03952	1.4
187.07603	0.6
189.05412	0.3
191.05569	2.1
197.02386	0.4
198.03049	0.6
199.03923	6.7
200.04329	0.3
201.01910	1.8
201.05476	0.5
202.06300	0.5
203.03429	0.8
211.03964	0.3
213.01875	0.4
214.02507	0.3
215.03424	2.7
226.02605	1.2
227.03444	2.8
228.03726	0.3
229.08665	0.5
230.09402	1.2
231.10037	0.3
242.02249	0.7
243.02927	4.5
255.02969	2.2
271.02463	43.6
272.02814	2.8
282.01648	0.6
299.01944	100.0
300.02438	10.9
301.03473	4.3
302.03799	0.4
535.31390	0.4
614.22198	0.5
651.39465	3.6
669.40741	2.4
711.28632	0.4
711.40833	0.9
726.19958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64157	0.6
57.03327	1.6
59.01250	7.9
61.98720	1.2
67.53047	0.7
71.01251	6.3
72.96551	0.8
73.02817	1.4
74.26615	0.7
78.95773	8.6
79.95612	0.7
80.96388	4.0
81.03348	0.7
83.04875	0.8
85.02834	1.4
87.00742	1.1
89.02341	3.4
95.04903	1.1
97.02785	0.6
97.06460	3.5
98.19781	1.5
101.02305	4.7
113.02348	2.4
119.03369	1.3
127.11217	0.7
131.06560	0.6
151.11195	13.6
152.99504	11.8
153.99820	0.6
161.04448	1.0
164.98505	0.7
169.12254	100.0
170.12610	4.7
171.00609	1.2
171.10130	1.3
179.05492	0.7
195.10190	2.1
199.09644	0.8
199.13200	0.7
201.11253	9.0
209.11777	12.6
213.11285	10.9
214.11688	1.0
221.85217	0.7
225.00569	1.0
227.12759	1.3
235.08159	1.6
253.09236	2.8
253.21658	2.1
255.23245	3.4
277.21719	22.5
278.22113	2.7
330.68759	0.8
428.97321	0.8
431.19302	2.4
449.20255	8.5
450.20694	1.0
455.16763	2.3
473.17841	7.1
498.08759	0.8
691.38580	2.0
709.41351	85.1
710.41852	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	710.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	7.2
66.03353	0.9
69.29971	0.5
69.54448	2.3
69.54873	1.6
70.02847	1.1
72.00771	1.2
74.02348	15.5
81.04452	0.5
82.02859	2.2
84.04423	0.7
86.02352	5.5
86.98984	1.2
87.05516	3.7
88.03963	0.5
90.00067	1.2
97.03958	2.2
99.05524	13.2
101.07092	1.7
102.05494	2.1
107.06043	1.2
109.03935	2.5
109.07597	0.7
111.05537	1.3
112.03918	1.8
114.00036	0.5
116.01676	1.2
120.01153	0.5
123.05522	1.6
124.03952	0.9
125.03463	1.1
126.01873	0.9
127.05039	3.0
128.03438	38.0
129.03758	0.7
131.04552	1.2
135.04585	0.6
135.05547	3.0
137.07080	1.1
141.06595	3.6
143.04532	44.6
144.04904	1.0
144.90199	0.5
145.06113	1.8
146.04520	4.4
153.06622	3.4
155.08218	1.3
160.00668	14.1
161.02350	0.7
166.09787	1.4
167.04529	3.8
167.08264	2.3
177.03360	4.6
179.04564	10.3
181.06149	1.0
184.10861	0.8
185.05588	1.4
191.05542	0.8
195.13075	0.5
197.05595	1.1
198.08759	0.8
210.08800	10.1
211.09120	0.6
242.07718	0.8
242.43744	0.5
254.07819	12.1
255.08374	0.7
272.08887	20.4
273.09232	0.8
288.06610	8.3
306.07663	100.0
307.08047	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	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02334	0.9
57.03312	2.8
59.01239	7.2
59.90826	1.1
60.62822	0.9
61.98698	3.0
62.61202	0.9
64.92499	0.8
71.01252	8.8
71.65120	0.9
73.02795	1.5
78.95768	4.0
80.96376	3.5
83.04874	1.8
83.57968	0.9
85.02821	1.7
87.00746	2.2
89.02302	2.3
94.97985	1.3
95.04863	2.2
97.06476	6.9
98.20601	2.0
101.02322	4.6
109.06523	1.7
113.02325	2.3
119.03403	1.2
133.10118	0.9
140.01936	1.0
149.09662	1.2
151.11183	21.0
152.99467	3.6
161.04469	2.1
169.12256	51.7
170.12596	2.3
195.10182	2.6
209.11699	1.1
213.11256	9.2
225.11240	1.9
226.11485	1.0
253.09248	3.3
255.23247	4.4
277.21710	63.8
278.22076	6.2
292.45609	1.0
319.22769	1.1
404.44150	1.0
431.19186	2.5
449.20181	4.3
473.17474	1.6
576.45935	1.0
598.03430	1.1
633.85248	1.0
691.39722	1.1
709.41498	100.0
710.41925	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	709.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09754	1.0
57.03323	6.0
58.00449	1.7
59.01250	42.8
61.98703	16.4
71.01248	24.9
72.17728	0.9
72.99199	2.7
73.02817	4.5
78.95781	15.7
81.03336	1.3
83.01250	3.4
83.04919	1.3
85.02826	7.3
87.00751	6.6
89.02315	26.6
93.03326	2.0
95.01299	2.0
96.95880	1.9
96.96820	1.3
97.02828	3.4
99.00767	1.7
101.02320	23.6
101.02998	1.2
109.06498	1.1
111.00757	1.0
111.04481	1.3
113.02335	9.4
113.09618	18.5
114.09910	1.2
119.03385	8.3
120.03705	1.0
121.02853	2.0
125.02351	6.9
131.03404	1.8
133.02902	1.0
134.98390	1.0
135.04398	1.4
136.65526	1.0
139.11160	1.9
143.03378	4.3
149.04446	2.7
152.99495	7.1
159.81061	1.1
160.65672	1.3
161.04430	3.9
167.10680	2.2
171.10201	3.0
173.04521	1.2
179.05554	5.6
179.10588	1.4
191.05469	2.5
195.13785	2.4
199.09665	1.7
207.10254	1.8
209.11783	2.4
211.13283	3.3
225.11215	2.3
235.08217	6.2
253.09099	1.7
263.07404	1.3
293.21210	100.0
294.21548	10.3
311.22363	2.4
397.13422	16.7
397.17935	0.8
398.13760	1.4
415.14478	15.6
416.15161	1.4
709.36768	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	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16926	0.3
59.01249	0.7
63.96112	1.7
68.28447	0.3
69.03321	0.8
70.22819	0.7
70.23201	1.4
70.24082	0.3
71.01256	8.8
72.99167	0.5
73.02816	1.6
78.98462	6.2
79.95605	13.7
80.96390	81.6
81.03317	0.8
85.02828	3.7
87.00755	3.2
94.97961	19.3
96.95882	1.3
97.02826	1.6
99.00792	0.5
101.02298	2.4
106.97971	3.4
122.97473	3.9
125.02341	4.1
127.03909	1.2
134.97476	5.0
136.99055	1.9
148.99045	6.3
152.98555	5.5
161.04619	0.4
164.98550	12.8
167.00098	0.7
171.10184	1.7
206.99623	3.0
225.00703	18.3
226.01018	0.5
255.23251	1.4
283.04907	0.6
331.94830	0.4
453.14120	2.9
454.14664	0.5
537.27435	1.3
709.38342	100.0
710.38672	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.4
61.98698	1.0
63.02263	3.0
65.00193	7.7
71.01268	2.6
71.50685	0.6
71.51105	0.7
73.02824	0.7
77.03851	0.6
83.01258	5.1
85.02831	1.5
87.00748	1.5
88.46320	0.5
89.02317	1.9
90.48811	0.4
93.03357	2.8
95.04910	1.1
97.06477	1.0
101.02332	1.9
105.03345	4.6
107.01274	13.7
109.02847	1.6
113.02340	1.0
116.92762	0.8
117.03352	2.4
121.02840	12.5
123.04394	1.9
125.02341	0.8
131.03395	0.9
133.02855	18.3
134.03633	28.2
135.04433	9.4
137.02364	3.6
139.03897	1.7
145.02829	0.8
149.02351	3.5
149.04492	2.3
151.00273	42.7
152.00591	1.0
159.04364	0.9
161.02339	3.0
162.03142	11.8
163.00259	1.2
163.03738	0.7
165.01782	0.6
169.01393	2.9
173.04486	1.8
173.05841	0.8
175.03966	1.1
177.01859	9.7
178.02603	8.1
178.99771	20.3
179.03157	1.2
180.00238	0.7
187.03879	0.7
187.07571	1.3
191.05530	2.2
191.77029	0.5
193.01369	1.0
203.10745	0.8
222.39143	0.5
227.03439	0.7
229.04895	1.0
231.10220	29.3
232.10553	1.7
245.04536	1.8
255.02982	1.0
257.04471	0.6
271.02408	1.0
273.04010	2.7
275.09250	96.9
276.09579	8.4
284.03400	0.6
299.01932	2.9
300.02509	0.6
301.03525	100.0
302.03870	8.0
314.04160	1.4
329.23419	0.5
407.13464	8.4
502.71771	0.6
533.29657	1.2
565.86212	0.6
649.38177	1.2
665.17944	1.2
665.33514	0.9
667.38629	0.7
683.37994	0.6
709.38464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47236	0.6
55.24879	0.5
59.01248	24.3
60.01565	0.5
61.98703	3.1
62.96266	0.6
66.72966	0.5
71.01254	1.3
71.38757	0.7
78.95772	100.0
81.03327	1.3
83.04892	3.5
84.02026	0.6
93.03301	0.9
96.96836	9.7
109.06461	2.0
113.09567	3.1
123.92673	0.4
134.98456	1.5
139.11209	0.6
150.97859	0.9
152.99483	57.2
153.99776	0.7
154.78792	0.5
161.02319	0.7
161.04716	0.5
162.92152	0.5
163.11140	2.8
165.12732	0.7
167.10638	0.8
171.00562	1.7
171.10170	3.6
178.99704	0.5
181.12311	0.9
191.05463	0.9
191.10753	0.5
192.05988	0.6
195.10211	0.9
195.13780	3.1
197.11786	1.0
205.12341	1.0
207.10191	1.9
209.11758	45.9
210.12073	2.0
211.13336	1.0
223.13318	5.1
225.11348	2.3
227.12790	7.5
262.70544	0.5
277.21707	1.8
278.22122	0.5
293.21228	21.2
293.24548	1.1
294.21469	1.6
295.22800	7.3
307.09613	0.6
361.10550	1.7
363.12106	13.8
364.12231	0.8
379.11551	0.7
381.13077	5.4
395.14777	5.8
413.15784	2.0
429.20526	5.0
431.21967	2.3
447.21597	2.3
448.21811	0.5
449.23074	1.3
587.26166	1.9
589.67737	0.9
591.28699	0.6
603.32678	1.0
619.29114	2.9
620.28717	0.9
657.33990	5.1
658.34271	0.8
675.34662	0.8
689.36230	1.1
707.37671	1.0
708.39764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00103	0.5
59.01247	2.1
61.98690	0.6
65.00204	0.5
69.21701	5.1
71.01253	2.0
73.02807	0.5
73.80684	0.5
83.04888	0.5
85.02832	1.4
89.02333	0.8
93.03354	0.7
96.95898	2.3
97.02832	0.7
98.20589	1.0
101.02306	0.8
107.01319	0.5
109.93620	0.4
121.02840	1.1
133.02837	0.7
135.04427	0.8
149.02388	0.6
149.04674	0.4
151.00241	1.0
161.02351	1.4
161.04434	0.5
165.01878	3.6
173.04485	0.7
175.03915	0.8
179.03375	0.8
191.05516	4.0
193.01358	2.0
199.03960	2.1
201.02016	0.6
201.11209	1.1
203.03481	0.6
206.27757	0.6
208.36385	0.5
209.11743	1.4
215.03488	1.4
226.02576	0.7
227.03467	3.3
242.02220	0.8
243.02972	4.7
253.09122	0.7
254.02199	0.7
255.02950	1.4
262.95325	0.5
269.04477	2.0
270.01804	1.1
271.02469	59.7
272.02844	5.3
285.03976	3.3
286.04651	0.7
299.01956	100.0
300.02359	10.7
313.03641	0.9
314.04312	92.7
315.04761	11.7
517.15027	1.1
522.40369	0.5
533.29468	0.6
614.21954	0.5
623.16040	2.5
665.17224	67.2
666.17584	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	707.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.60579	0.4
59.01254	5.9
61.98703	12.9
67.53558	0.4
68.13755	0.4
69.31192	4.6
71.01250	1.9
71.04910	0.5
73.19707	0.4
78.95782	100.0
80.02557	0.7
81.03337	1.0
83.01228	0.5
83.04902	2.8
84.02044	0.5
85.60629	0.5
89.02335	0.7
92.42984	0.4
92.77950	0.5
93.03277	0.4
95.04915	0.6
96.96845	9.5
97.06459	0.8
98.02155	0.5
99.08054	0.6
107.73655	0.5
113.09596	0.8
125.17097	0.5
129.09103	1.6
133.02827	0.8
134.03616	0.5
134.98427	0.9
146.31541	0.5
151.11162	0.5
152.99498	50.3
153.99858	0.6
161.02304	0.6
163.11209	2.4
165.12752	1.3
169.12245	1.7
171.00592	0.8
171.10213	2.1
178.02696	0.7
181.12251	1.7
183.13864	0.7
191.05580	0.8
193.12259	0.7
195.10225	2.2
197.11766	5.1
199.09683	0.7
199.13347	3.1
207.10263	0.9
209.11781	35.0
210.12067	2.3
211.13362	4.9
225.11302	1.0
227.12863	4.2
228.13162	0.6
231.10332	0.6
273.49313	0.7
275.09274	1.0
275.20175	0.7
283.55530	0.5
291.19696	1.3
293.21176	7.1
311.22272	11.8
312.22815	0.9
350.72308	0.5
363.12085	5.5
381.13208	1.2
395.14801	6.3
447.21579	16.1
448.21918	2.1
465.22672	5.5
675.35150	39.7
676.35388	7.3
707.37793	24.3
708.38214	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	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.0
57.03330	0.9
58.00461	1.6
59.01250	24.7
59.69978	0.5
60.03872	0.5
61.98687	2.0
65.09284	0.5
69.03313	1.6
69.61207	0.4
70.70104	0.5
70.96193	0.4
71.01255	17.9
72.01605	0.6
72.99158	1.6
73.02813	3.5
73.16767	0.5
75.00742	0.8
78.95790	0.5
81.03323	0.9
83.01254	2.5
83.04896	1.0
85.02832	4.2
85.99968	0.5
87.00750	3.9
89.02320	20.5
91.03875	0.7
93.06938	0.6
95.01262	1.5
97.02810	2.1
98.19794	1.4
99.00747	1.9
101.02322	15.6
109.06451	1.0
111.08038	13.5
113.02340	7.4
115.02063	0.6
118.98038	0.5
119.03402	5.7
125.02340	4.2
127.07508	0.9
128.06071	0.5
131.03429	1.2
131.42082	0.5
133.02811	0.9
133.34637	0.5
135.02936	1.2
135.04376	0.7
143.03394	3.6
149.04478	1.2
153.12772	1.1
161.02330	1.2
161.04456	2.9
169.12251	5.1
171.10173	1.0
179.05466	3.9
179.10728	0.8
181.12231	1.0
183.13760	0.7
191.05495	1.1
197.11766	64.4
198.12106	3.2
199.13329	3.5
199.14874	0.5
209.11795	1.7
211.13345	7.9
221.06569	1.5
225.11305	1.1
225.14958	0.7
225.31644	0.5
225.57292	0.5
227.12891	1.6
235.08150	4.7
247.20665	0.5
253.09175	2.5
263.07678	0.8
263.20117	3.0
265.18039	1.7
273.18655	1.3
277.09396	0.5
291.16351	0.9
291.19659	15.1
292.19952	1.1
299.01959	1.6
305.08734	1.5
309.20706	100.0
310.21054	9.1
323.09781	1.1
379.12320	0.6
397.13522	25.4
398.13882	2.2
415.14578	34.3
416.14856	2.6
707.34723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03308	1.6
58.00464	2.1
58.48777	0.5
59.00959	1.2
59.01247	22.1
61.98695	2.6
69.03317	1.7
71.01253	16.3
71.08531	1.3
72.99194	1.0
73.02820	3.2
73.53286	0.6
76.32853	0.5
78.95798	0.7
81.03322	0.7
83.01245	1.6
83.04904	1.1
85.02828	3.7
87.00745	3.3
88.98685	1.2
89.02316	16.8
90.02617	0.8
95.01266	1.0
96.66286	0.5
97.02831	2.1
99.00751	1.2
101.02318	12.5
109.06474	0.8
110.34013	0.6
111.08035	11.4
113.02344	6.0
119.03384	5.1
121.02832	0.7
125.02330	3.7
127.07529	1.5
131.03366	0.8
139.03914	0.7
143.03415	2.0
149.04411	1.6
149.52263	0.6
151.11137	1.0
153.12779	1.6
155.22194	0.6
161.02345	1.4
161.04453	3.0
169.12233	4.8
171.10152	0.9
179.05548	3.3
181.12242	1.5
183.13803	0.9
191.05504	1.0
197.11761	48.5
198.12062	2.3
199.13313	2.3
205.83107	0.6
209.11745	5.4
210.12086	2.2
211.13382	7.1
221.06641	1.9
227.12819	2.6
235.08218	3.0
253.09166	1.9
263.20111	4.0
265.17990	0.9
273.18353	1.2
287.07806	0.6
291.19662	11.8
292.19913	1.5
294.20932	0.6
299.01965	0.9
305.08752	0.6
309.20697	100.0
310.21066	10.3
323.10016	0.7
390.73904	0.7
397.13440	18.2
398.13882	1.4
415.14539	33.1
416.14648	3.1
433.15076	0.7
434.15726	0.9
483.27438	0.7
677.72986	0.7
707.35449	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.9
58.00481	1.0
59.01251	36.7
61.98702	42.6
63.81143	0.9
69.03339	2.1
71.01254	32.2
72.99178	3.0
73.02823	3.6
78.95773	13.9
81.03317	1.5
83.01268	1.9
83.04887	2.1
83.59846	0.9
85.02834	6.7
86.00713	0.9
87.00757	6.3
89.02316	25.7
93.03321	1.1
95.01263	2.1
96.11494	1.1
97.02839	2.8
98.20579	2.1
99.00765	2.2
101.02317	22.8
109.06525	1.5
111.04440	1.0
111.08047	10.8
113.02335	10.7
113.09589	1.5
119.03378	10.5
125.02329	6.0
131.03415	1.5
133.02876	2.1
135.04388	1.8
137.09625	1.0
143.03442	3.8
149.04434	2.0
152.99495	6.8
157.04921	0.9
161.02365	4.4
161.04419	6.4
167.10712	1.8
169.12317	1.1
171.10161	3.3
173.04465	1.1
177.12778	2.6
179.03426	2.6
179.05537	5.3
179.10658	1.4
185.11775	1.2
191.05530	4.1
195.13872	8.4
201.11238	1.2
207.10162	2.8
209.05339	1.0
209.11812	8.9
211.13376	2.1
221.06580	2.3
223.13573	1.0
225.11244	3.1
227.12813	2.2
235.08217	6.5
247.20726	2.3
253.09323	3.5
263.07693	2.0
273.18622	1.4
277.09308	1.3
291.19672	100.0
292.20038	9.4
309.20663	2.1
343.25235	1.1
397.13470	15.4
415.14590	16.2
416.14951	1.1
483.15497	1.2
695.32892	1.1
698.31171	1.3
707.22235	2.0
707.36969	4.1
708.22406	1.4
708.37305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79785	0.4
55.01754	1.0
57.03325	2.2
58.00452	1.8
59.01254	39.6
60.41483	0.4
61.98706	4.1
66.58025	0.4
69.03324	1.6
71.01260	30.0
72.01598	0.4
72.99192	2.6
73.02833	4.6
75.00733	0.8
78.95779	1.1
81.03333	1.2
83.01270	2.6
83.04897	1.1
85.02832	6.8
87.00763	5.0
89.02324	28.7
92.59346	0.4
93.03335	1.2
95.01263	2.0
95.04888	1.2
97.02827	4.1
97.06458	0.6
98.20571	1.1
99.00758	1.8
101.02328	22.8
109.06475	0.6
111.04425	0.7
111.08059	12.0
112.08347	0.8
113.02336	10.1
113.09602	0.6
115.03928	0.7
116.32135	0.4
119.02576	0.9
119.03394	10.4
121.02916	0.4
125.02351	7.0
131.03392	1.4
132.63170	0.5
133.04970	0.8
135.04323	0.6
137.09599	1.3
137.44266	0.5
143.03427	4.0
149.04488	1.9
149.09590	0.7
161.04501	4.2
167.03435	0.7
167.10680	2.5
169.04913	0.6
171.10178	1.0
177.12804	2.4
179.03345	0.5
179.03979	0.4
179.05544	4.7
179.10712	1.9
179.12128	0.5
183.06093	0.4
191.05687	0.6
195.13867	7.2
196.14110	0.6
197.11748	0.6
203.14307	0.5
207.10336	0.7
209.11790	1.5
217.07130	0.6
218.50607	0.5
221.06633	1.8
221.11905	0.5
223.13350	0.8
229.14664	0.4
235.08229	6.8
239.23128	0.5
243.82558	0.5
245.06821	0.5
247.20699	2.3
253.09322	1.4
263.07645	0.8
273.18588	1.3
275.20148	0.9
277.09363	0.5
291.19681	100.0
292.16901	0.8
292.20044	10.8
305.08871	0.9
309.20642	2.6
358.21118	0.5
361.11835	0.6
397.13519	15.5
397.18655	0.9
398.13849	1.1
415.14648	14.2
416.14996	1.0
435.30707	0.5
647.02161	0.5
707.35913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86260	0.7
57.03331	1.0
57.53124	0.7
59.01250	10.4
61.98708	5.3
71.01252	8.6
71.45478	0.7
71.51005	1.4
73.02817	2.3
75.00732	0.8
78.95766	1.5
80.02554	0.9
81.03315	1.7
83.01267	1.0
83.04903	4.3
85.02820	1.9
87.00747	2.9
89.02335	4.0
89.02808	0.8
93.03311	1.4
95.01225	1.1
95.04895	1.4
96.95877	1.5
97.02818	1.2
97.06454	1.6
101.02338	4.9
107.04877	1.1
109.06463	1.3
111.04382	1.0
113.02319	3.1
119.03370	1.5
119.04923	1.4
125.02330	1.0
125.09584	1.1
131.03352	1.0
133.02898	1.7
134.03619	0.9
135.04401	1.6
135.08043	1.3
145.02776	1.1
149.04443	2.2
161.02371	3.7
161.04433	2.7
163.03914	2.1
163.11201	5.5
164.04202	1.1
165.12802	2.6
169.12279	2.1
171.10167	6.2
173.04549	1.3
179.03354	2.0
181.12288	1.0
187.03851	1.0
191.05533	3.0
191.10738	0.8
197.11760	2.4
199.13232	1.3
201.05510	0.8
201.09479	0.9
201.11281	4.8
205.08589	0.9
207.10153	3.2
209.11772	100.0
210.12108	6.6
213.11159	1.0
215.07037	0.9
223.09700	2.1
225.11275	2.9
226.11501	0.9
227.12843	15.8
228.13129	1.3
229.08723	1.0
230.09387	1.1
235.08144	3.1
242.02222	1.3
243.12173	1.1
253.09277	7.0
254.01974	0.9
259.15488	1.1
270.01733	0.8
307.19104	2.0
313.03369	4.2
314.04153	1.2
337.57834	0.9
397.13480	1.6
403.41428	0.8
405.52643	1.0
415.14371	0.8
445.20770	2.2
512.10907	0.9
573.31158	1.0
576.55225	0.9
598.93835	0.9
608.13574	2.1
687.31848	3.9
705.33417	2.4
724.49591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03326	0.5
58.00455	0.5
59.01250	100.0
60.01593	0.9
62.05423	0.3
66.68085	0.3
71.01255	9.2
73.02818	3.9
83.01257	2.0
85.02825	5.1
87.00720	0.5
89.02328	2.5
95.01253	0.4
97.02828	0.6
98.20567	1.3
99.00754	0.7
101.02325	10.2
111.00760	0.4
113.02343	4.1
119.03394	1.2
138.06934	0.4
143.03461	0.6
149.04515	0.4
153.09163	0.9
159.02893	0.6
161.04434	2.9
163.03932	0.5
179.05524	0.9
191.05559	1.2
205.12306	0.6
221.00221	0.4
223.13455	0.7
229.84789	0.4
235.11826	17.7
236.12215	1.1
277.12921	10.4
278.13327	0.9
321.11975	0.5
385.18881	1.0
540.72992	0.4
652.24146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92525	0.7
54.43177	0.7
55.01748	0.7
57.03309	1.3
59.01254	9.8
61.98703	3.0
69.03310	0.9
69.19282	8.1
70.06913	0.6
71.01249	9.2
73.02814	1.6
76.27483	0.6
76.64320	0.7
78.95811	0.9
80.02541	1.3
81.03333	1.7
82.92284	0.7
83.01237	0.9
83.04881	4.3
85.02830	1.9
87.00756	2.9
88.95377	0.7
89.02317	4.5
93.03315	1.4
95.01231	0.7
95.04928	1.3
96.95922	1.4
97.02826	1.3
97.06510	0.7
98.19836	1.4
99.00784	1.5
101.02315	4.4
104.60780	0.7
105.49945	0.7
109.06484	1.8
111.00770	1.2
111.04364	0.8
113.02327	2.7
119.03392	1.6
125.05991	0.8
125.09582	1.2
127.07482	1.0
133.02853	1.8
134.03644	1.0
135.04395	2.4
135.08058	1.0
137.02354	1.0
145.02869	0.8
149.04480	1.8
149.05983	1.1
161.02356	3.6
161.04491	2.1
163.03931	1.8
163.11201	3.9
165.12737	2.5
169.12270	2.4
171.10262	4.8
173.04529	1.1
174.01747	0.7
179.03395	2.5
179.05553	1.7
181.12234	1.3
191.05547	2.0
191.10791	0.9
197.11807	1.9
199.13297	1.4
201.11255	3.0
207.10210	2.7
209.11774	100.0
210.12097	6.3
223.09500	1.7
225.11330	5.1
226.11620	1.6
227.12846	17.5
228.13237	1.3
230.09459	1.0
235.08176	3.4
253.09294	6.2
259.15463	3.1
289.18210	3.5
299.02170	1.2
307.19135	7.3
313.03619	1.6
314.04431	1.1
397.13370	1.1
415.14786	1.9
435.99957	1.0
464.01129	0.8
553.54126	0.8
608.13898	1.5
673.32111	1.2
687.32104	2.3
705.33423	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	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.2
57.03308	1.9
58.00457	0.8
59.00958	1.0
59.01248	16.5
61.98694	3.9
68.01330	0.7
69.03312	3.2
71.00901	1.1
71.01248	11.6
71.04902	3.5
71.50654	0.8
72.99176	1.2
73.02821	3.1
75.00751	1.5
81.03329	1.0
83.01265	1.3
83.04886	3.3
85.02821	4.2
86.42966	0.6
87.00747	4.5
89.02316	7.9
93.03310	3.1
95.01240	1.4
96.95887	8.1
97.02836	3.7
97.06470	2.6
99.00104	1.0
99.00751	19.8
101.02325	8.3
104.98389	0.7
107.04889	0.7
109.02831	0.7
109.06447	1.4
111.08060	0.6
113.02331	5.5
114.12117	0.7
115.91950	1.0
117.03386	1.0
119.03385	2.3
119.04922	2.7
119.08582	0.8
121.02856	1.5
121.06449	1.2
121.56169	0.7
123.04438	1.3
123.08051	2.4
124.01521	0.9
125.09610	8.6
126.10023	0.6
127.11159	1.8
133.02831	2.9
135.04390	2.6
135.08034	2.0
136.05136	0.6
137.02376	1.5
141.12718	0.6
142.02600	1.3
145.02867	1.9
145.10117	0.6
149.02362	4.5
149.04446	2.0
150.03079	1.3
151.00261	1.1
151.11166	1.6
153.12791	0.8
155.14305	0.8
161.02356	6.1
161.04454	1.9
161.09590	1.6
163.03903	3.9
163.11206	9.8
165.01843	1.7
165.09087	0.9
165.12791	0.7
171.10181	2.7
171.78120	0.6
172.05086	0.7
173.04469	4.0
178.99770	0.8
179.03424	5.1
179.04877	0.8
179.10640	3.3
181.12260	15.0
184.98253	0.6
185.11795	0.8
191.05527	8.8
192.05843	1.0
197.11761	28.3
198.12097	1.8
199.09851	0.6
199.13347	9.9
200.13673	0.9
201.11263	15.4
202.11523	0.7
204.84079	0.7
207.10197	27.8
208.10556	1.9
209.11760	18.3
210.12079	1.4
213.80492	0.6
225.11269	44.6
226.11644	2.4
227.12794	2.3
235.08179	0.8
241.10742	1.9
242.02086	0.9
243.03067	0.8
243.12358	25.1
244.12643	1.5
251.07143	0.8
253.09216	3.3
255.02937	1.3
266.58472	0.6
270.01721	0.9
271.02457	2.6
295.06158	1.2
296.06757	2.0
299.01974	8.2
300.02612	3.2
301.03430	1.2
307.19141	0.9
313.03699	0.7
313.79630	0.7
317.15918	0.8
339.05072	0.9
370.35193	0.7
377.07864	0.8
397.09076	0.7
397.13547	0.7
419.77289	0.7
461.20422	1.9
479.14764	1.3
479.21136	8.3
500.33487	0.8
527.21637	0.7
543.28137	1.3
573.19397	1.5
574.32312	3.9
608.13568	4.7
609.15234	0.8
633.30634	0.9
661.30609	10.1
662.30981	1.5
687.32385	27.5
688.32654	5.0
705.33429	100.0
706.23572	0.8
706.33807	19.3
716.24084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44328	1.0
55.01749	2.2
56.37684	0.9
57.03319	7.5
58.00467	2.6
59.01251	70.6
61.98698	6.5
68.99697	1.0
69.03335	6.9
70.61978	2.7
71.01253	57.7
72.99172	4.3
73.02810	7.7
75.00758	2.1
78.95783	2.2
80.02577	1.2
81.03339	4.1
83.01274	5.3
83.04902	4.3
85.02822	12.0
85.67418	0.9
87.00747	12.1
89.02315	48.9
93.03325	2.1
95.01256	3.6
95.04917	2.3
97.02827	7.9
97.06471	14.5
99.00748	4.5
101.02321	37.5
107.04887	1.2
109.02856	1.9
109.06479	3.1
111.00777	1.6
111.04379	1.7
111.08049	5.4
113.02332	20.0
119.03401	12.6
121.02843	1.3
123.04395	1.2
123.08093	1.1
125.02323	12.9
125.09608	3.8
131.03400	1.6
133.02840	4.4
135.04424	6.0
135.08038	1.1
137.02264	1.3
137.09579	1.4
143.03416	6.1
145.05005	1.2
149.04463	4.2
149.09613	2.7
151.03864	1.0
151.11182	14.8
153.09145	1.5
153.12744	1.7
153.39488	1.0
155.10661	3.8
161.02406	10.3
161.04469	9.7
161.09633	1.1
163.11238	5.2
165.12769	17.0
167.10712	2.9
169.12233	3.4
171.10161	3.7
173.04529	1.0
177.12842	1.3
179.03383	8.0
179.05525	9.2
179.10733	5.8
181.12270	15.9
182.12837	1.1
183.13776	7.7
185.04478	1.3
187.07587	1.2
191.05524	2.7
191.10747	7.1
191.14337	2.7
195.10249	1.1
197.11761	3.7
205.12244	1.6
207.10228	2.6
209.11765	56.4
210.12086	4.2
211.13373	6.9
212.13669	1.1
213.11209	1.0
221.06604	3.9
225.11191	2.1
227.12836	28.9
228.13216	1.7
229.08626	1.2
235.08141	10.9
239.09320	1.0
245.06523	1.5
245.19069	14.0
253.09238	4.0
263.07718	3.3
263.20129	19.2
264.20605	1.2
271.17111	1.1
279.19589	3.5
287.07819	1.1
289.18082	24.4
290.18411	1.7
301.16556	1.7
305.08771	1.4
307.19144	100.0
308.19464	10.8
314.04401	1.1
323.09702	1.4
379.12289	1.1
397.13458	49.2
398.13840	3.8
406.80881	1.0
415.14563	36.4
416.14941	3.6
473.92761	1.1
593.24469	2.0
607.26044	36.3
608.26727	4.7
622.24896	2.2
687.32379	2.0
705.34015	10.6
706.33746	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	705.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.8
57.03321	3.4
58.00457	3.2
59.01250	48.3
59.23881	0.4
60.01606	0.7
61.82483	0.4
61.98700	4.4
67.01784	0.8
68.99707	0.8
69.03323	3.5
70.63511	1.3
71.01251	40.4
71.04900	0.6
72.99178	3.9
73.02815	6.6
75.00766	1.0
78.95819	0.4
80.02560	1.0
81.03334	4.1
83.01263	6.6
83.04900	2.3
85.02826	8.9
85.25217	0.4
87.00748	8.8
87.01267	0.5
88.98689	0.6
89.02315	41.0
90.02630	0.5
91.03896	0.7
93.03357	1.3
95.01274	2.8
95.04915	2.9
96.95937	0.5
97.02827	8.8
97.03388	0.6
97.06467	6.3
99.00777	2.7
99.04401	0.7
101.02322	32.0
102.02650	0.6
103.00280	0.6
106.04136	1.1
107.04900	0.6
109.02885	1.6
109.06486	2.3
110.03662	1.0
111.00795	1.1
111.04413	1.5
111.08036	0.7
113.02324	16.6
115.03916	0.7
118.92577	0.4
119.03391	12.6
119.04823	0.5
119.08572	0.7
121.02828	0.7
121.06510	1.7
121.10168	0.6
123.04391	4.0
123.08064	2.4
123.70700	0.4
124.01591	0.7
125.02344	9.9
125.06028	1.0
125.09612	8.3
126.02644	0.5
127.03928	0.7
129.47830	0.4
131.03410	1.8
133.02847	1.0
133.04985	1.1
135.04433	1.4
135.08067	1.8
137.02357	0.8
137.06017	0.8
137.09618	5.4
139.03870	1.1
139.11287	0.6
141.01840	1.3
141.12767	1.1
142.02602	1.2
143.03397	5.6
149.04497	3.3
149.06006	1.0
149.09671	0.5
151.11200	1.2
161.02417	2.1
161.04457	7.2
161.09662	0.8
162.02754	0.6
162.10368	0.6
163.07547	0.8
163.11182	8.6
164.11507	0.8
165.09166	0.6
165.12761	3.0
167.03362	0.5
167.10724	0.6
171.10219	1.9
175.11214	1.1
177.12793	1.0
179.03444	1.5
179.05513	8.2
179.06975	0.8
179.10771	1.2
181.12274	2.6
183.13831	0.8
185.04500	0.6
185.11734	7.9
186.12038	0.7
189.12793	0.7
191.10754	2.0
191.14345	10.4
193.12306	1.2
197.11859	0.6
202.06296	0.8
207.10184	8.2
207.13625	0.5
208.10594	1.1
209.11772	32.8
210.12123	3.1
211.13422	4.6
217.07129	0.9
217.15965	0.9
217.49849	0.4
221.06641	2.7
225.11240	6.3
226.11792	1.0
227.12817	3.1
227.18111	0.6
228.13118	0.6
231.10289	0.5
235.08199	9.7
237.11293	9.7
238.11800	0.7
243.17531	0.6
245.06505	1.1
245.19070	20.1
246.19487	2.0
247.17169	0.6
253.09254	4.4
263.07684	2.3
263.20135	5.3
271.16855	2.2
277.09171	0.9
279.19690	0.6
281.21054	2.2
287.07684	1.5
287.16443	0.7
289.18088	86.5
290.18430	8.2
305.08923	1.4
307.19128	100.0
308.19455	9.9
323.10019	1.0
325.20163	1.8
331.19315	0.9
379.12228	0.6
397.13483	46.6
398.13818	4.8
415.14548	41.0
415.19083	0.5
416.14856	3.4
479.03674	0.5
607.26086	2.2
673.33582	0.8
687.32422	0.6
705.33221	7.4
706.33618	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	705.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59254	0.5
53.91259	0.5
53.98353	0.5
55.01756	2.2
57.03316	5.5
58.00456	3.4
59.01252	59.7
61.98706	5.0
69.03335	4.5
69.19303	1.0
69.19714	5.0
70.13403	0.6
71.01252	53.1
71.04880	0.9
72.01574	1.0
72.99185	4.7
73.02816	7.9
75.00729	1.4
78.95757	1.5
80.02542	1.0
80.10274	0.6
81.03333	2.9
83.01245	4.6
83.04890	3.5
84.02035	0.6
85.02821	10.7
87.00754	10.3
89.02318	45.8
90.02641	0.7
90.42351	0.6
91.03893	1.6
92.55222	0.6
92.74984	0.5
93.03336	1.3
95.01260	3.4
95.04907	2.8
97.02821	7.7
97.06461	12.1
98.19678	0.6
99.00751	4.3
99.04406	1.2
101.02322	36.5
102.02612	1.2
107.04923	0.7
107.08556	0.7
109.02837	2.6
109.06482	2.9
111.00761	1.4
111.04379	1.5
111.08030	3.9
113.02328	17.5
115.03893	0.7
119.03391	14.8
120.05624	0.6
121.02867	0.9
121.06477	0.7
123.00782	1.0
123.04398	2.2
123.08022	1.3
125.02340	12.4
125.09640	3.1
127.07594	0.7
127.11166	0.9
131.03395	2.4
133.02882	3.8
134.03645	1.0
135.04410	4.9
135.08057	1.2
137.02341	0.7
137.05974	0.8
137.09601	1.3
138.06735	0.6
139.03908	0.9
139.07669	0.7
141.01816	1.2
143.03386	5.9
145.10190	0.6
147.11694	0.7
149.04459	2.6
149.09621	2.4
151.07591	0.9
151.11195	12.3
152.11504	0.9
153.09116	1.2
153.12738	2.0
155.10687	4.1
159.04303	0.6
161.02361	8.1
161.04440	6.9
161.09705	0.7
162.02655	1.0
163.11215	3.7
165.12766	18.0
166.13101	1.6
167.10664	3.0
169.12268	3.9
171.10225	3.2
173.09599	0.9
177.12810	1.5
179.03427	5.5
179.05548	9.7
179.10690	4.9
180.03714	0.8
180.05858	0.6
181.12256	15.2
182.12483	0.8
183.13817	8.3
185.04427	0.8
185.11813	0.6
187.07564	0.7
191.05586	1.9
191.10712	9.2
191.14276	2.7
192.11159	0.7
195.10152	0.7
195.13715	0.7
197.11757	3.1
199.13339	1.2
201.05537	0.6
201.11255	0.9
202.06215	0.9
205.12250	1.8
207.10194	2.5
209.11774	52.1
210.12129	3.9
211.13347	7.9
212.13654	0.8
213.11192	1.5
217.07138	0.9
219.05096	0.9
221.06522	2.9
223.13388	0.8
224.10512	1.2
225.11296	3.1
226.11829	0.8
227.12854	24.6
228.13104	1.5
235.08197	10.3
235.20555	1.0
239.09230	1.3
241.14429	0.6
245.06630	0.7
245.19072	13.5
246.19452	1.3
251.12991	0.8
253.09230	3.6
261.18506	1.3
263.07755	2.8
263.20157	18.0
264.20453	1.8
270.54242	0.7
271.17075	1.8
277.09155	0.8
279.19614	2.3
282.33636	0.5
287.07709	1.0
289.18094	24.2
290.18420	1.7
301.16553	1.8
305.08838	2.2
307.19131	100.0
308.19516	9.9
315.29816	0.6
323.09811	1.4
341.23334	0.9
370.96008	0.6
371.17181	0.9
397.13486	46.5
398.13818	4.8
415.14569	36.9
416.14914	3.1
445.20728	1.4
461.20093	0.8
463.21912	0.7
593.24353	1.1
607.26044	31.8
608.26526	5.7
622.24774	3.0
623.24756	0.7
636.26782	0.7
687.32587	2.3
705.33691	11.9
706.33844	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	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14188	0.1
59.01249	5.7
60.01581	0.4
60.32890	0.1
61.01682	0.1
61.98701	100.0
62.98383	0.1
70.36700	0.2
70.37091	0.3
78.95771	0.2
85.40248	0.1
86.91026	0.1
109.26511	0.1
125.71332	0.1
151.70052	0.1
166.82298	0.1
212.07730	0.1
360.01608	0.1
423.49713	0.1
440.13367	0.1
482.15018	0.2
483.15073	0.8
484.15558	1.1
497.16806	0.4
498.17004	0.4
499.18265	0.2
500.18561	0.3
510.00732	0.1
542.16766	0.3
543.16992	0.4
556.18829	0.2
557.18903	1.3
558.19055	2.7
559.19232	0.3
574.15668	0.3
575.15631	0.6
589.17328	0.3
643.22839	0.3
644.22693	1.5
645.23090	0.2
703.24976	0.2
704.24591	4.2
705.24017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
59.01244	11.5
60.85585	1.1
61.98702	100.0
69.16341	6.9
69.16771	5.6
71.01252	10.8
71.94174	1.1
75.00779	1.1
77.80997	1.0
78.67607	1.3
78.95783	8.8
81.03353	1.5
85.02821	2.2
89.02293	1.7
93.03338	1.2
93.78629	1.4
96.95915	1.4
97.02819	1.9
101.02291	3.0
109.06470	1.7
113.02346	2.5
116.34518	1.2
116.92711	1.2
123.08017	1.8
130.47064	1.1
133.02867	4.0
135.04416	4.5
152.99478	3.8
161.02332	7.3
162.02737	1.2
163.11177	2.1
169.12238	1.9
171.10205	15.3
175.53383	1.2
179.03423	5.2
179.10703	2.8
180.03729	1.4
191.05537	2.5
197.11737	8.0
199.13335	1.4
201.11227	3.2
207.10150	5.9
209.11763	20.4
210.12094	2.7
211.13289	5.4
223.09700	3.5
223.13319	18.4
224.13736	1.7
225.11345	7.9
227.12816	4.8
235.08179	3.4
253.09213	3.1
343.47986	1.0
401.77686	1.2
459.22995	6.7
613.28925	3.1
651.33197	1.5
687.31946	2.9
705.32819	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	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34769	0.7
55.01736	0.8
57.03315	0.9
58.00485	0.9
59.01250	12.7
61.98702	3.6
70.81631	0.7
70.81973	1.9
71.01253	9.1
73.02805	1.7
75.00739	0.9
80.02540	2.9
81.03320	3.8
83.01237	0.8
83.04887	7.6
84.02036	1.0
85.02820	3.3
87.00743	1.9
89.02323	5.0
93.03327	1.3
95.01280	1.2
95.04893	1.4
97.02815	5.2
97.06454	1.2
99.00764	1.2
101.02322	6.2
107.04942	1.0
109.06472	23.7
110.71440	0.8
113.02311	4.4
119.03407	1.3
121.06456	1.9
122.83910	0.8
123.04392	1.0
123.08081	1.0
125.09592	2.4
132.92447	0.8
133.02826	2.8
135.04391	3.6
135.08070	4.0
136.05139	1.0
139.26753	0.7
142.02625	1.1
149.04456	2.4
152.99522	1.0
158.39081	0.7
161.02368	8.2
161.04446	2.7
161.05806	0.8
161.09633	1.4
163.11203	14.7
165.12741	2.6
171.10114	2.2
179.03369	4.8
181.12279	4.2
185.11687	1.6
187.07582	1.1
189.09096	2.1
191.05515	1.2
191.10709	2.0
197.11790	1.0
207.10199	54.2
208.10530	3.7
209.11763	100.0
210.12117	7.7
211.13368	1.8
221.11842	1.4
223.13226	1.1
225.11269	25.1
226.11618	1.5
227.12846	14.1
228.13051	1.0
231.10172	1.7
235.08183	3.6
247.13428	1.1
249.11246	2.0
253.09221	10.8
286.70108	0.8
337.56308	0.9
399.21658	4.5
417.22604	3.7
443.19278	2.4
446.21701	0.8
455.68152	0.8
461.20129	7.6
462.20331	1.2
515.10852	0.8
568.23163	1.2
582.22913	0.8
635.30695	12.4
636.31219	2.9
653.31842	10.8
654.31909	2.0
671.32861	19.6
672.32910	4.6
687.29333	1.5
687.79425	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	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03312	3.8
57.15868	0.8
59.01251	9.6
61.98702	9.3
64.09669	0.8
69.03321	3.1
71.01253	7.8
71.04884	2.9
71.37856	1.1
73.02818	1.8
81.03345	1.6
83.01231	0.9
83.04890	1.7
85.02810	3.6
87.00749	3.2
88.83299	0.7
89.02337	4.7
93.03354	2.3
95.04903	1.7
95.56300	0.8
96.95872	1.9
97.02834	3.0
97.06455	2.5
99.00756	11.7
101.02337	6.5
102.05302	0.9
109.06481	2.2
113.02332	4.7
117.03342	3.5
119.03388	2.0
119.04899	4.2
123.08047	2.8
125.09615	6.6
129.01833	0.7
133.02838	2.8
134.03650	1.4
135.04401	3.5
136.04047	1.0
137.02332	1.0
142.02574	1.1
143.03349	1.3
145.02844	9.2
149.04477	4.1
150.03078	0.9
151.11211	1.3
153.12753	2.2
161.02359	2.3
161.04462	2.1
161.09605	2.3
163.03934	9.5
163.11208	8.2
171.10213	2.0
173.04405	1.7
177.01411	0.8
178.02589	1.3
179.03392	3.7
179.05479	1.6
179.10680	3.9
181.12259	11.7
191.05551	3.9
197.11751	42.3
198.12073	1.5
199.13306	7.3
203.10600	0.9
207.10222	18.5
208.82964	1.0
209.11720	4.1
223.09776	0.9
224.31915	0.8
225.11259	24.1
226.11525	1.8
237.42979	0.8
241.10689	2.8
243.12389	11.6
253.09175	2.3
295.53104	0.8
305.17596	1.4
310.07010	1.9
315.98312	0.8
461.20639	1.5
471.14520	1.0
477.19565	2.0
479.21585	2.4
489.66180	1.1
557.22528	1.7
622.89154	0.9
659.31793	2.5
667.38684	4.1
685.30878	3.6
703.31909	100.0
704.32391	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	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78321	0.7
56.57666	0.7
59.01250	18.0
59.66701	0.7
62.38887	0.7
69.03313	1.4
69.64742	5.2
71.00858	0.9
71.01250	15.3
73.02829	2.2
80.02546	2.2
81.01225	0.8
81.03342	3.0
83.01259	0.8
83.04894	8.1
84.02044	2.4
85.02823	4.5
87.00761	2.1
87.30241	0.7
89.02312	6.1
91.26521	0.7
93.03380	0.9
95.01258	1.4
95.04899	1.6
96.42175	0.7
97.02826	5.2
97.06490	0.9
98.19879	1.3
99.00755	1.5
101.02327	6.1
107.04910	1.1
109.06477	19.5
111.00758	0.8
113.02313	4.9
115.25676	0.7
117.03345	0.9
119.03367	1.9
119.04935	1.8
121.06450	1.2
123.04398	0.8
125.05964	1.0
125.09624	2.9
133.02834	9.9
133.06488	0.8
135.04410	7.9
135.08038	3.6
136.05208	1.2
142.02670	1.5
149.04466	0.9
159.02950	0.7
159.04303	0.9
161.02357	23.7
161.04468	2.4
161.09558	1.6
162.02737	2.2
163.03911	1.5
163.11197	18.5
164.11539	1.5
165.12686	1.7
171.10184	1.5
171.27655	0.7
173.05930	1.1
179.03401	12.5
179.10628	0.8
181.12282	4.7
185.11732	2.2
187.07608	1.8
189.09184	1.5
191.05589	2.3
191.10663	2.2
197.11739	1.5
202.06226	1.5
207.10202	55.1
208.10571	2.3
209.11768	100.0
210.12138	7.4
211.13327	2.0
215.07005	1.6
225.11269	31.0
226.11630	2.4
227.12857	14.9
229.08597	1.2
231.10201	1.7
235.06117	1.0
235.08206	3.2
243.12355	0.9
247.13370	1.0
249.11098	1.3
253.09277	10.7
257.13989	1.5
299.15204	0.9
307.08072	0.9
330.08707	0.8
399.21906	4.8
417.22827	4.4
441.18378	4.2
441.68536	1.1
443.19489	3.6
445.20856	1.3
450.18900	2.2
455.18048	2.5
455.68515	2.4
461.20358	9.6
462.20508	1.0
464.18710	1.8
464.68207	0.9
573.22064	0.8
582.23145	5.4
582.73431	2.8
621.88580	0.8
635.30670	12.1
636.31158	2.8
653.31665	10.7
654.32208	1.7
671.32928	18.7
672.33557	3.6
673.29956	1.0
678.78491	1.5
687.29297	8.7
687.79651	5.5
688.29572	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32266	0.2
55.01764	0.3
59.01250	2.8
69.03364	0.3
70.81216	0.6
70.81533	0.3
71.01260	2.9
73.02824	0.8
78.95789	0.4
80.02554	0.7
81.03342	0.6
83.01261	0.5
83.04881	2.5
84.02041	0.4
85.02836	1.2
87.00761	0.7
89.02319	1.8
101.02333	2.8
113.02355	1.2
119.03426	0.4
119.06551	0.2
119.73540	0.2
123.28843	0.2
125.05925	0.4
126.03473	0.3
133.05002	0.3
135.08076	0.3
143.03397	0.3
145.04973	0.7
152.99548	0.2
161.04480	1.0
163.11183	2.1
165.12762	1.3
179.05617	0.3
181.12283	0.5
191.10683	0.4
203.90265	0.2
209.11775	60.5
210.12140	2.9
218.17413	0.2
227.12848	7.3
228.13208	0.4
230.26511	0.2
235.08188	6.0
236.08572	0.3
237.22256	0.3
249.27324	0.2
253.09256	7.6
253.11900	0.4
254.09637	0.3
255.23273	100.0
256.23608	7.0
279.95316	0.2
295.22797	0.6
445.20486	0.4
491.32101	1.0
697.66980	0.3
701.46106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.6
59.01252	88.7
60.01586	2.4
60.99163	4.2
61.98699	51.8
67.01772	2.3
68.30386	2.1
69.03294	2.4
71.01256	9.5
71.50155	3.8
75.00733	5.0
78.95783	13.3
81.03311	3.1
83.04892	10.5
85.02821	3.8
87.00739	4.9
88.98693	7.2
89.02330	2.4
95.04903	2.3
95.88187	2.2
97.02795	3.0
97.06474	3.1
101.02385	3.3
107.04912	5.4
109.06472	8.3
111.00759	3.3
113.02328	3.5
119.08612	2.2
121.06503	3.1
123.04400	9.0
125.02352	3.1
133.02837	7.0
133.06465	2.3
135.04425	11.0
135.08006	3.7
135.22200	2.2
137.02332	4.4
145.06522	3.8
147.08038	3.4
149.72789	2.3
151.07491	2.4
152.99487	8.3
160.91162	2.0
161.02348	11.8
161.05925	2.1
161.09653	3.3
163.07570	3.6
171.10199	2.6
172.91588	2.4
175.07547	2.7
177.05487	3.8
179.03412	6.5
185.09622	2.4
187.07597	2.2
191.05484	3.8
197.11606	3.0
207.10196	6.7
209.11774	14.8
225.11215	6.2
227.12784	2.4
253.60612	2.3
255.23347	5.3
264.58942	2.2
265.10699	17.2
275.12750	3.6
318.44644	2.7
407.13376	7.0
419.34079	2.6
523.23730	3.1
541.24225	11.2
601.26556	100.0
601.36224	5.3
602.26685	16.2
662.77112	3.0
671.31476	4.1
703.37262	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	701.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	4.6
61.61623	1.5
61.98695	5.5
65.99706	3.6
71.01257	3.2
73.02791	1.6
78.95776	13.7
82.02860	14.5
83.01253	3.3
87.88596	1.6
88.69267	1.5
105.79453	1.7
106.06481	1.7
108.08043	2.5
110.02350	1.4
128.07178	1.6
133.02843	4.6
136.03929	2.4
152.03456	23.0
152.99477	5.7
161.02345	5.9
171.10207	3.6
179.03430	1.8
194.08188	3.8
204.25616	1.6
209.11720	5.0
229.63657	1.8
255.23331	9.9
267.07867	2.1
293.21024	2.5
295.22702	4.5
370.11612	1.9
444.16388	2.0
453.19608	1.8
467.21066	1.7
591.21967	2.3
619.22211	3.0
627.24762	1.8
641.26007	5.1
642.26080	1.7
651.24585	34.1
652.25098	6.9
669.25305	4.7
683.26447	2.3
701.28284	100.0
702.28558	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79491	0.3
59.01250	100.0
60.01583	1.2
61.98706	0.4
70.06951	1.0
73.17491	0.2
78.95773	1.0
121.55877	0.3
124.82172	0.3
133.02878	0.4
136.15092	0.2
156.33357	0.3
161.02386	0.7
164.15028	0.3
170.10884	0.3
192.96049	0.3
255.23328	1.0
282.13870	0.3
295.22778	0.4
437.12747	0.7
438.13202	3.8
439.13669	1.1
451.13922	1.0
452.14865	2.1
453.15561	0.9
455.09821	0.6
467.13211	0.4
470.12387	0.9
480.14212	1.3
481.15173	32.1
482.15457	7.8
484.13644	0.6
495.16772	11.9
496.17154	3.3
497.18353	5.0
498.18393	1.3
514.14850	2.4
515.15125	0.6
523.15948	0.7
525.14093	0.8
528.17041	0.4
531.91711	0.3
539.15686	1.9
540.16437	9.2
541.16718	1.3
553.17255	0.8
554.18109	2.7
555.18842	51.1
556.19086	11.0
567.18933	0.7
569.20398	0.4
572.15485	14.8
573.15656	3.4
577.17291	0.4
586.17102	5.3
587.17017	1.3
600.81854	0.3
609.19611	1.4
627.20862	1.2
641.22540	23.9
642.22815	6.9
701.24628	57.4
702.24854	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97239	1.2
59.01248	100.0
61.98697	2.1
71.01256	1.2
71.49857	1.5
78.95779	3.6
80.69865	1.1
83.04919	1.8
109.88038	1.0
133.02873	1.4
145.98000	1.1
148.10335	1.2
152.99438	1.8
161.02292	2.2
184.38242	1.1
209.11763	4.8
243.51433	1.0
255.23242	13.7
295.22699	4.5
417.68280	1.1
438.13257	4.9
439.13968	1.3
452.15054	3.0
481.15192	42.5
482.15500	11.1
495.16785	10.5
496.16641	2.6
497.18378	4.7
507.13919	1.4
539.15894	2.3
540.16559	10.8
541.16632	1.9
554.18683	1.9
555.18829	68.4
556.19110	19.4
567.18970	2.6
569.20270	2.0
572.15442	20.3
573.15637	4.0
586.17090	5.0
587.17102	1.4
641.22620	30.6
642.22778	9.1
701.24554	60.4
702.24933	18.0
704.84955	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	701.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18753	2.5
50.56222	2.2
51.80484	2.5
59.01245	35.3
64.37374	2.3
67.90884	2.1
69.77395	14.2
71.01255	26.0
73.02821	7.5
83.01267	4.0
85.02823	8.4
87.00748	10.7
89.02309	48.5
90.84343	2.3
97.02834	5.8
101.02319	33.3
107.26956	2.4
109.56207	2.4
113.02317	17.4
119.03385	6.4
125.02301	3.6
131.03419	2.6
140.66393	2.3
143.03421	8.1
149.04424	3.3
161.04462	14.2
179.05531	30.2
203.05545	4.4
221.06642	10.2
341.10828	15.4
383.11972	13.0
438.58261	2.8
485.14944	8.3
539.13867	3.8
665.21442	100.0
666.21985	16.6
701.18958	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	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65841	0.7
57.03313	2.3
59.01250	8.3
61.98703	4.8
64.37280	0.7
69.03313	1.1
69.78391	0.8
71.01257	5.9
71.49207	0.8
72.99159	0.9
73.02837	1.0
76.77942	0.9
78.95766	0.9
83.04876	0.8
85.02805	1.2
89.02345	4.2
95.04913	1.0
97.06463	6.0
101.02327	4.4
111.08039	4.5
111.51566	0.9
113.02300	2.8
123.08046	3.1
125.09614	43.2
126.09924	1.4
127.11164	1.3
127.99034	0.8
135.04333	0.8
152.99396	0.8
158.46974	0.8
161.04465	1.4
167.10710	0.8
169.08588	1.5
169.12238	2.1
171.10184	100.0
172.10611	4.8
179.03485	1.5
179.05457	1.1
183.13792	1.0
187.09683	34.5
188.09970	1.0
191.05434	1.3
195.13881	1.2
197.09991	1.4
197.11771	23.3
198.12068	1.8
199.13245	1.6
209.11765	2.2
211.13371	2.8
223.13342	1.6
227.12880	1.1
235.08168	3.4
253.09256	16.9
255.23203	1.0
263.20105	2.2
265.18170	1.2
291.16711	1.3
291.19641	13.3
293.21173	5.2
309.20712	35.4
310.21033	3.6
405.17776	2.0
407.18985	1.1
423.18701	5.9
670.91760	1.0
677.08905	0.9
699.39581	47.4
700.39795	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	699.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
59.01242	3.0
61.98660	0.3
71.01254	3.6
72.99178	0.5
73.02824	0.9
78.95780	0.8
80.02523	0.8
83.01251	0.7
83.04903	2.7
84.05212	0.4
85.02822	1.1
87.00745	0.8
89.02318	2.2
95.01267	0.6
95.04854	0.4
95.81296	0.4
97.02817	0.6
101.02326	3.5
106.77665	0.3
113.02328	1.5
119.03395	0.9
133.04988	0.5
145.04991	0.9
145.83815	0.3
152.99426	0.6
160.48355	0.4
161.04480	1.6
163.11230	2.6
165.12735	1.0
175.33432	0.5
176.00226	0.4
181.12233	0.4
191.10701	0.4
195.43800	0.4
198.06020	0.4
207.10254	2.4
209.11774	62.4
210.12103	3.8
225.11348	2.9
227.12856	7.5
235.08174	5.8
253.09296	8.2
253.21709	100.0
254.22057	9.6
255.23276	7.7
293.21054	0.8
441.17459	0.4
443.19287	0.5
456.99570	0.4
489.30707	0.5
650.70178	0.4
690.60736	0.4
699.43030	1.1
715.45996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01610	0.8
78.95776	15.6
80.96404	4.0
96.05548	0.7
107.05444	0.8
147.92058	0.7
205.15903	1.6
279.23260	1.1
284.70633	0.9
285.12674	1.1
303.64182	0.9
554.73157	0.7
695.30981	45.0
696.31342	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	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76584	0.2
56.13199	0.2
59.01249	100.0
60.01583	1.1
61.98706	2.3
71.01263	0.8
71.39470	0.3
78.95782	0.8
85.02824	0.5
88.98686	0.2
104.53860	0.3
109.30273	0.2
113.02367	0.4
116.41821	0.2
121.02840	1.7
133.02850	1.2
135.04453	1.0
151.07591	0.5
152.99498	0.6
161.02350	2.1
162.06680	0.4
171.10182	3.8
179.03433	0.9
191.03490	1.0
191.05379	0.3
195.13895	0.3
208.86978	0.2
209.04547	1.0
209.11821	0.4
211.13417	0.4
240.75645	0.2
253.09404	0.6
289.17950	1.8
293.21335	0.3
307.19238	0.6
327.93091	0.2
407.15323	0.6
407.65616	0.6
416.16022	0.3
421.29266	0.3
534.20050	0.5
534.70502	0.4
593.13342	0.9
678.61584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
59.01249	100.0
60.01582	1.0
61.98712	3.2
69.91537	1.6
70.06901	0.3
71.01254	1.0
71.04916	0.4
78.95775	4.5
83.01311	0.3
83.04900	3.0
85.02784	0.6
89.02341	0.4
93.03329	0.4
95.44389	0.4
96.96854	0.7
107.04934	0.5
109.06505	1.0
123.04288	0.3
127.69907	0.3
133.02855	0.9
135.04433	0.5
147.33591	0.3
149.09637	0.8
152.99536	2.2
155.10651	0.4
161.02390	1.3
163.11226	0.4
171.10146	0.7
175.11195	0.7
179.03465	0.9
191.05534	1.1
195.14043	0.4
201.11200	0.5
207.10289	0.9
209.11819	0.5
217.15930	0.4
225.11368	0.4
249.14838	0.5
277.21783	0.7
279.23315	0.5
281.19128	0.7
293.21271	0.4
295.20523	0.6
325.21893	0.8
332.21539	0.7
347.23862	1.1
365.24808	11.1
366.25278	1.6
382.25082	2.2
383.25870	11.2
384.26523	1.1
391.26462	2.2
409.27451	2.7
410.28064	0.7
675.35571	0.5
693.35413	1.0
714.55029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98957	0.2
52.59001	0.3
55.01746	0.5
57.03332	0.9
58.00468	0.4
59.01249	14.8
61.98703	3.8
69.03322	0.8
71.01255	11.9
71.49834	0.5
72.99169	1.3
73.02820	1.6
75.00747	0.7
78.95763	1.9
80.96410	0.3
81.03321	0.5
83.01262	1.6
83.04900	0.5
84.54822	0.3
85.02825	2.4
87.00752	3.1
89.02312	9.2
93.03331	0.6
95.01251	0.6
96.96836	0.3
97.02819	1.6
97.06444	0.3
99.00755	0.7
101.02319	8.1
109.02905	0.4
111.04435	0.5
113.02334	3.6
113.09621	1.5
115.03876	0.4
119.03383	3.0
125.02312	2.4
131.03421	0.4
133.02812	0.7
134.03625	0.5
135.04405	0.6
143.03426	1.3
149.04446	0.5
152.99477	0.5
161.02312	1.0
161.04451	1.9
162.04794	0.3
171.10175	0.6
173.04436	0.9
177.12819	0.4
178.02620	0.7
179.03394	0.7
179.05545	2.5
179.14328	0.4
181.12282	0.5
185.04277	0.3
191.05560	1.0
195.13834	12.5
196.14171	0.5
201.11292	0.3
209.11826	2.0
209.29152	0.3
211.13387	1.8
221.06613	0.9
225.11176	0.3
227.12869	0.4
235.08182	2.6
253.09239	1.0
263.07755	0.3
267.37830	0.3
271.06113	0.6
275.09293	0.4
277.09122	0.4
277.21698	11.4
278.22009	1.2
286.08475	0.6
287.07736	0.6
295.22757	100.0
296.23114	9.9
305.08820	0.8
323.09631	0.6
397.13467	20.1
398.13794	2.3
407.81061	0.3
415.14548	20.9
416.14761	1.3
577.24805	0.6
633.39459	0.3
693.36981	1.4
694.34912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46303	0.5
57.03316	0.5
59.01250	8.4
59.72794	0.5
61.98701	4.7
62.96262	0.8
70.17506	0.6
70.17851	2.1
78.95776	100.0
81.03353	0.6
83.04890	2.3
96.96844	9.6
99.08044	0.6
113.09593	1.4
118.63731	0.5
134.98421	1.3
150.97893	1.3
152.99489	52.8
153.16769	0.5
153.99857	0.8
163.11198	1.7
165.12759	1.5
171.00548	1.0
179.14252	0.7
181.12242	0.7
195.13826	14.5
195.44604	0.5
196.14175	0.6
209.11771	31.5
210.12096	1.9
223.13380	0.6
225.11263	0.6
227.12845	4.5
277.18668	0.7
277.21692	10.9
278.22089	0.9
293.21234	1.2
295.22781	44.6
296.23105	4.4
350.00293	0.6
363.12146	6.0
381.13031	0.9
386.95428	0.6
395.14774	6.6
431.22015	25.9
432.22244	2.0
449.23010	8.1
450.23325	1.2
659.35626	47.5
660.35992	8.9
691.38232	27.2
692.38513	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	693.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29546	0.4
51.49778	0.4
59.01253	1.4
61.96749	0.4
61.98733	0.6
65.00204	0.5
69.29938	1.5
69.30355	2.1
70.38351	0.5
89.02312	0.4
90.13746	0.4
93.03362	0.4
117.03304	0.6
135.31448	0.4
148.62347	0.5
151.00334	0.8
165.01857	2.4
183.03004	0.5
183.04472	1.8
191.05515	0.8
193.01347	0.7
211.03958	2.9
221.00871	0.4
227.03517	2.8
254.02049	0.5
255.02965	45.5
256.03360	4.3
256.15359	0.5
269.04459	1.3
271.06046	1.5
274.59955	0.5
283.02469	100.0
284.02863	12.2
298.04816	80.8
298.08444	0.7
299.05362	14.8
300.05917	0.7
335.81812	0.4
341.06638	0.5
485.10910	1.6
503.12173	0.7
607.16589	0.7
649.17725	61.9
650.18018	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	693.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.9
59.01249	42.8
60.01571	0.7
61.98701	14.1
66.28402	0.6
69.78590	3.2
71.01240	1.5
77.34766	0.7
78.95774	100.0
83.04904	2.7
96.95898	0.6
96.96839	11.2
97.06422	0.6
109.06469	2.1
113.09609	2.2
121.06532	0.7
125.09573	0.9
127.11204	1.1
134.98402	2.1
135.08011	0.8
135.58276	0.9
146.24165	0.7
150.06752	1.4
152.99492	58.6
155.10616	0.8
163.11140	1.6
171.00586	1.3
171.10175	12.7
171.11613	0.6
180.10696	0.6
181.12303	0.9
191.05484	0.7
195.13876	6.0
199.09668	4.4
201.11226	10.4
207.10263	3.7
209.11761	15.9
210.12128	1.2
223.13284	4.5
225.11256	4.3
227.12852	2.9
231.13867	0.9
277.21823	4.6
281.19131	3.4
292.18170	1.1
293.21194	8.1
294.21671	1.3
295.22775	24.1
296.23111	2.4
307.09494	1.4
307.20761	1.6
325.10275	0.8
325.21704	16.9
326.21945	1.3
335.09012	1.6
337.10590	1.6
341.20953	0.8
342.21960	2.7
343.22742	13.1
344.23325	0.9
361.10559	2.9
363.12103	5.9
365.24911	0.7
376.02878	0.8
379.11591	3.0
381.13107	5.0
397.12708	1.1
399.14386	1.1
399.62729	0.8
429.20422	2.0
431.22037	10.5
432.22583	1.4
447.21225	1.5
449.23325	4.5
587.25909	0.9
603.33099	6.6
604.33282	1.4
605.27435	4.5
631.32556	2.7
632.32867	0.9
657.34027	5.0
658.34808	1.6
675.35028	5.2
676.35510	1.4
693.23505	0.7
693.35620	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	691.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55070	0.6
59.01253	9.1
61.98701	4.4
62.96251	0.7
67.66288	0.5
70.00810	2.6
71.01259	0.9
73.02830	0.5
78.95774	100.0
80.02547	1.1
81.03323	1.0
83.04896	4.6
84.02068	0.8
88.98679	1.7
95.04902	0.6
96.96832	8.9
97.06571	0.5
109.06448	0.5
113.09628	1.4
134.98448	1.1
135.08011	0.9
150.97922	0.7
152.99486	55.2
153.99811	0.9
155.80853	0.6
163.11195	3.9
165.12750	1.9
171.00533	0.8
179.14333	0.8
181.12312	0.7
191.05560	0.7
191.10727	1.1
195.13847	7.6
207.10222	0.8
209.11768	56.9
210.12167	4.0
215.35980	0.6
223.13464	0.7
225.11339	0.6
227.12854	5.5
277.21710	5.7
293.21313	2.4
295.22757	25.4
296.23138	3.0
363.12134	17.5
364.12451	1.6
381.13260	4.2
382.13556	0.5
395.14706	13.9
396.15164	1.4
413.15802	2.4
431.21951	14.9
432.22238	0.9
449.23071	3.5
484.16098	0.5
496.16846	1.2
552.19592	1.9
553.19446	1.0
628.21228	7.8
629.20996	3.0
659.35614	45.6
660.36163	8.9
691.38306	26.1
692.38672	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	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54883	1.2
59.01241	1.4
69.84938	6.2
73.94254	1.2
78.95775	42.9
81.03328	1.6
83.04897	8.4
84.02030	1.9
96.96835	4.5
124.50539	1.3
134.04686	1.3
150.04099	1.5
152.99490	57.0
163.11212	7.3
165.12767	4.1
171.00612	6.5
171.01840	1.7
179.57274	1.6
191.10719	1.5
202.86816	1.7
207.10275	1.8
209.11774	93.3
210.12076	4.6
227.03207	3.4
227.12794	12.6
245.04256	2.0
253.21729	24.5
277.21686	2.5
342.50607	1.5
358.08902	1.6
363.12109	9.0
364.11682	1.6
437.15891	7.5
455.16849	100.0
456.17325	9.6
691.38220	73.2
692.38617	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
61.32673	0.5
61.98694	1.6
69.70294	0.6
70.50784	1.4
70.51141	0.9
71.01244	3.6
73.02814	1.4
77.21643	0.5
80.02542	1.1
81.00951	0.5
81.03331	1.2
81.83088	0.6
83.04887	4.9
84.02048	0.6
85.02800	0.8
87.00781	0.9
89.02319	2.3
93.03341	0.7
95.04925	0.8
95.38322	0.5
96.95885	4.2
97.06515	0.6
101.02311	2.4
112.13256	0.5
113.02335	1.5
115.81866	0.5
125.05978	0.8
125.09610	1.0
127.11160	1.0
135.04413	0.8
135.08051	0.7
148.84976	0.5
149.04443	0.9
161.02339	1.1
161.04457	1.0
163.11229	3.7
165.01779	0.7
165.12798	1.8
167.58513	0.6
171.10182	2.1
171.47615	0.6
175.46902	0.6
179.03488	1.2
181.12311	0.8
187.07561	0.6
191.05540	2.6
191.10760	1.0
201.11253	22.7
202.11569	1.5
209.11768	100.0
210.12102	7.8
225.11343	0.7
227.12849	11.6
228.13098	1.3
235.08194	2.9
253.09219	7.4
271.02432	1.3
299.02039	4.1
300.02679	2.0
301.03494	0.7
375.21756	0.5
419.27283	0.7
437.19968	0.9
445.20673	1.6
515.28033	1.1
530.75586	0.6
536.75897	0.7
594.12524	1.8
595.13660	0.6
651.35608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
56.20348	0.3
57.03318	0.6
58.00465	0.6
59.01248	18.2
69.03314	0.9
71.01252	12.9
72.99174	0.8
73.02816	1.9
75.00722	0.3
81.03327	0.9
83.01260	1.2
85.02821	2.8
87.00748	2.5
89.02317	11.2
95.01254	1.3
97.02828	1.9
99.00742	0.5
101.02319	9.2
111.00752	0.3
111.04369	0.3
113.02328	4.8
119.03394	3.2
123.00854	0.4
125.02325	3.2
131.03375	0.4
133.04996	0.3
143.03369	2.0
149.04454	0.7
159.82341	0.3
161.04471	1.9
164.41928	0.3
165.70473	0.3
167.10588	0.4
177.12805	0.3
179.05534	2.8
179.14291	0.8
179.94946	0.3
181.12317	0.4
187.06117	0.3
188.28970	0.3
188.42944	0.3
195.13832	7.7
196.14467	1.1
205.12288	0.6
205.15852	0.6
211.13103	0.3
221.06616	0.8
223.13327	5.9
224.13887	0.4
225.14679	0.4
228.13680	0.4
229.25195	0.3
231.21196	0.4
235.08199	3.4
253.09282	1.1
256.13147	1.1
265.21674	0.5
275.20166	4.3
277.09229	0.4
287.07715	0.5
293.21207	100.0
294.21548	9.8
305.08804	0.9
319.21677	0.3
323.09821	0.7
336.21558	0.3
397.13467	20.6
398.13794	2.5
415.14536	23.2
416.14963	2.2
455.52475	0.3
510.40848	0.3
510.49313	0.3
537.29993	0.3
654.27679	0.4
691.34747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62312	0.6
55.01746	0.6
57.03317	2.4
57.23239	0.6
59.01255	8.1
61.98709	5.9
71.01255	9.1
72.99180	0.8
73.02820	1.7
75.00726	1.1
78.95760	2.9
80.02548	1.2
81.03333	2.0
83.01260	1.3
83.04907	5.6
84.02036	1.1
85.02816	2.8
87.00753	3.3
89.02308	5.1
93.03336	1.8
95.01274	1.1
95.04910	2.0
96.95881	6.7
97.02841	1.1
97.06470	5.6
98.19820	1.2
99.00776	1.0
101.02327	7.0
105.03922	0.5
105.49545	0.6
109.06503	0.9
113.02332	3.0
116.92748	0.6
117.03483	0.5
119.03373	1.4
125.02326	0.8
125.09631	1.1
127.11189	0.7
133.02859	1.6
133.10146	1.0
135.04419	1.6
135.08046	0.7
139.03955	0.6
149.04425	1.7
151.11192	18.7
152.99471	1.3
153.04076	0.6
161.02353	3.0
161.04485	1.6
163.11230	2.8
165.12784	2.5
169.12254	68.7
170.12617	4.0
171.10191	1.9
173.04425	1.2
173.05862	0.6
176.78171	0.6
179.03386	1.7
179.05539	0.6
185.11682	0.6
186.06723	0.8
187.07648	0.7
191.05554	4.4
191.10751	1.0
195.10196	1.8
197.11794	1.2
201.05498	1.2
201.11307	0.9
207.10158	0.9
209.11771	69.2
210.12135	5.5
211.13374	1.7
213.11243	10.3
214.06384	0.9
215.07126	1.1
225.11308	1.2
226.11761	0.7
227.12856	6.0
228.13092	0.7
229.08633	2.0
230.09436	1.2
231.50594	0.5
235.08206	2.1
253.09286	4.1
274.78452	0.6
293.21173	2.3
329.23431	0.6
333.01819	0.6
397.13696	1.0
415.14401	1.0
426.17297	0.7
431.19165	1.9
449.20206	4.6
559.25543	0.6
641.31635	1.6
659.32837	100.0
660.33148	20.7
667.29767	0.7
691.25336	0.7
691.35840	4.7
692.35657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55243	0.2
55.01758	0.6
57.03316	0.8
58.00460	0.5
59.01250	18.4
61.98405	0.4
61.98694	2.1
69.03326	1.0
71.01254	15.4
71.50053	0.2
71.50504	0.3
72.01584	0.4
72.99174	1.2
73.02813	2.3
75.00739	0.4
78.95773	1.5
81.03325	0.4
83.01286	1.1
83.04897	0.3
85.02817	2.6
85.71271	0.2
87.00759	3.2
89.02318	12.6
90.02644	0.3
95.01260	1.0
95.04867	0.5
97.02814	2.4
97.06439	0.3
99.00758	1.1
101.02325	10.7
107.45293	0.2
109.02833	0.5
111.04364	0.4
111.08070	0.6
111.86974	0.3
113.02324	5.6
113.09580	0.3
119.03378	3.8
122.72928	0.3
125.02340	3.4
131.03407	0.7
136.36980	0.2
137.02441	0.3
139.01122	0.2
139.02354	0.2
139.03917	0.2
143.03389	1.6
144.45128	0.3
148.66583	0.2
149.04457	0.6
152.99435	0.7
159.04393	0.5
161.02344	0.3
161.04491	1.9
164.86502	0.3
167.10690	0.6
171.10126	0.3
173.04494	0.3
173.05992	0.4
177.12816	0.4
179.05551	2.9
179.10822	0.3
179.14342	0.9
181.15668	0.2
185.04420	0.3
187.07597	0.3
191.05624	0.4
195.13828	7.7
195.15596	0.5
196.14368	0.7
197.15329	0.3
201.01141	0.2
201.05524	0.5
201.11182	0.3
205.12341	0.6
205.15929	0.5
208.48921	0.2
209.11755	1.8
211.13426	1.3
221.06612	0.7
223.13342	5.2
224.13660	0.4
225.11227	0.3
225.14847	0.4
228.13617	0.7
229.08559	0.4
230.09241	0.3
231.21167	0.3
235.08211	3.6
245.04565	0.4
253.09312	1.2
256.13089	1.2
263.07635	0.4
265.21771	0.5
275.20184	4.0
276.20322	0.6
287.07697	0.5
291.19669	1.4
292.19998	1.2
293.21219	100.0
294.21555	10.3
305.08719	0.8
323.09677	0.9
332.06375	0.2
379.12604	0.4
382.14099	0.5
383.14929	0.3
397.13477	21.6
398.13907	2.5
399.14084	0.7
415.14560	24.1
416.14804	2.3
417.15283	0.5
445.20642	0.3
465.22617	0.2
563.22614	0.4
607.25696	0.5
654.27148	0.4
688.27307	0.3
691.35687	1.5
692.35315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11491	0.5
52.10164	0.4
57.03337	2.2
59.01244	7.5
61.31766	0.5
61.71680	0.5
61.98701	3.9
64.24292	0.5
66.20241	0.5
69.03317	0.5
69.99030	2.3
71.00861	0.6
71.01252	7.9
72.99203	1.0
73.02833	1.4
78.95784	1.3
80.02533	0.7
81.03339	1.4
81.80209	0.4
83.01254	1.6
83.04900	5.3
84.02024	0.9
85.02812	2.3
87.00746	1.6
87.04423	0.5
89.02320	4.1
93.03322	0.9
95.01243	0.6
95.04912	2.0
96.95869	2.3
97.06460	5.2
99.00764	0.8
99.15292	0.5
101.02326	5.1
109.06500	0.5
111.04379	0.5
113.02328	3.3
119.03371	1.1
125.02392	0.9
125.09612	0.8
131.03400	0.5
133.02879	1.7
133.10104	0.6
135.04407	0.5
135.08055	0.8
149.09610	0.7
151.00212	0.5
151.11194	15.9
152.11539	0.6
161.02350	2.2
161.04443	1.8
163.11189	3.7
165.12749	2.4
169.12251	70.4
170.12569	3.2
171.10190	1.8
173.04416	0.7
179.03375	1.0
179.05659	0.4
181.12292	0.8
185.05914	0.6
187.07492	0.5
191.05600	2.1
191.10646	1.3
195.10289	2.4
197.11728	0.9
201.05542	0.7
201.11209	0.9
207.10172	1.2
209.11769	66.3
210.12125	5.7
211.13266	1.4
213.11253	10.2
225.11191	1.0
227.12825	5.2
228.13252	0.5
229.08740	0.9
230.09502	0.7
235.08240	1.0
253.09229	4.8
275.20248	1.2
293.21243	3.2
328.24603	0.6
397.13345	1.1
415.14606	1.1
431.19119	1.4
449.20300	4.9
450.20517	0.6
497.27411	0.6
641.32037	1.5
659.32819	100.0
660.33179	19.8
660.44482	1.0
671.51080	0.6
691.35626	8.6
692.35840	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	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.8
57.03315	1.7
58.00451	1.7
59.01250	24.3
61.98706	2.1
66.17805	0.4
69.03317	1.3
71.01252	18.9
71.04886	0.4
71.49985	0.6
72.99171	1.3
73.02819	2.5
81.03320	0.8
83.01266	1.9
83.04884	1.0
85.02823	3.4
87.00730	3.2
87.42302	0.4
89.02318	15.4
95.01251	1.2
95.04903	1.0
97.02837	2.7
99.00742	1.3
101.02319	14.2
105.71207	0.4
109.06468	0.5
111.08040	9.7
112.08372	0.5
113.02331	6.2
119.03386	4.4
125.02327	5.3
127.03881	0.4
131.03389	0.8
133.02852	0.7
135.04430	1.1
137.09578	0.4
143.03392	2.4
149.04420	0.8
149.09601	0.9
161.02374	1.9
161.04468	3.0
163.11357	0.4
167.10670	1.8
171.10176	1.7
177.12778	1.4
179.03423	1.6
179.05504	3.0
179.10670	2.0
195.13805	6.0
196.14122	0.6
197.11751	0.7
201.11224	0.8
207.10190	1.3
209.11836	4.8
210.12108	0.7
211.13292	1.2
217.06946	0.5
221.06590	1.4
225.11320	1.3
235.08202	5.0
247.20583	2.6
253.09201	1.8
263.07809	0.6
273.18570	1.2
287.07715	1.1
291.19653	100.0
292.19974	8.9
305.08939	0.6
308.87332	0.4
323.09839	0.7
327.21689	0.5
378.71671	0.4
397.13483	39.0
398.13971	2.2
415.14578	22.9
416.15106	1.7
521.19635	0.5
553.28485	0.4
565.46552	0.5
599.53851	0.4
689.33594	4.6
690.34467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
58.00457	0.9
59.01251	8.1
61.98705	8.7
69.03326	0.9
71.01252	42.7
71.49176	0.8
73.02828	3.2
78.95777	20.8
80.02543	1.2
81.03316	2.8
83.01251	0.7
83.04885	5.8
84.02051	0.8
85.02809	3.2
87.00743	3.0
89.02312	3.3
95.01270	0.7
95.04895	1.5
96.96856	2.4
97.02810	2.3
97.06454	1.0
99.00759	1.6
101.02312	3.6
109.06470	5.1
113.02322	2.6
119.03391	1.4
125.06019	0.8
125.09586	1.9
127.11187	1.7
135.04468	0.9
135.08041	1.7
137.02310	0.6
139.07533	0.8
143.03389	1.0
145.10129	0.7
152.99484	12.2
155.10721	1.8
161.02330	1.3
161.04495	1.1
161.09552	0.8
163.11215	8.6
165.12747	2.6
169.12267	0.7
171.10181	33.6
172.10571	1.4
179.05582	0.9
181.12294	3.3
185.11714	1.4
189.09053	1.3
191.10649	1.3
197.11751	1.9
199.13409	1.1
201.11238	16.5
201.12994	1.1
202.11586	1.6
207.10201	17.4
209.11771	100.0
210.12119	7.6
211.13216	1.7
215.12814	1.4
223.13281	1.3
225.11295	25.1
226.11630	1.3
227.12843	11.6
228.13220	1.2
235.08270	3.8
235.13390	0.9
243.12366	2.3
251.12895	1.6
253.09267	9.5
277.21844	0.8
291.19751	0.9
293.21255	3.3
352.90295	0.8
363.12161	2.6
381.13242	1.0
395.14639	1.5
399.21741	1.1
413.16040	1.1
429.20538	2.7
445.20737	0.9
461.20270	4.2
462.21286	0.8
479.21289	1.2
653.31531	3.5
657.33948	8.6
658.33740	1.3
671.33063	3.3
672.33582	1.2
689.34949	10.2
690.35162	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
58.00456	1.0
59.00961	0.5
59.01249	8.9
61.98707	3.9
69.03325	1.2
71.01250	46.8
71.04876	1.0
72.01579	0.9
72.99191	1.0
73.02814	3.6
80.02565	1.3
81.03333	1.9
83.01262	1.4
83.04889	5.0
84.02039	1.2
85.00556	0.4
85.02811	4.0
87.00736	2.8
87.04353	0.5
89.02318	4.0
93.03339	1.6
95.01281	1.0
95.04903	1.7
96.95872	1.3
97.02808	1.8
97.06467	1.4
98.19830	1.1
99.00748	1.5
99.45261	0.5
101.02312	5.8
109.02866	0.7
109.06493	4.8
110.03631	0.5
111.00773	0.9
111.04386	0.6
111.08055	0.8
113.02317	3.7
115.91932	1.4
116.92755	2.5
119.03381	1.0
123.08033	0.7
125.02309	0.8
125.05990	0.6
125.09593	2.5
127.11181	1.8
133.02834	1.9
135.04427	1.8
135.08052	1.7
139.07498	1.2
143.03433	0.9
145.04910	0.9
145.10075	0.5
149.04446	0.5
149.09595	0.8
151.11142	0.6
153.09082	0.6
155.10669	1.8
161.02365	5.6
161.04462	2.1
161.09564	0.9
162.02739	0.8
163.11189	8.0
164.11531	0.5
165.09166	0.9
165.12759	2.0
171.10181	35.9
172.10530	1.9
173.04526	0.5
179.03397	1.8
179.10721	1.2
181.12245	4.4
183.10176	0.8
185.11726	2.2
189.09093	1.0
191.05574	1.8
191.10747	1.3
197.11743	2.6
199.09698	0.8
199.13318	2.1
201.11247	18.3
202.06110	0.8
202.11638	1.1
204.34944	0.6
207.10193	15.0
208.10597	0.8
209.11763	100.0
210.12062	6.5
211.13315	0.8
215.12849	1.6
223.13361	1.0
225.11258	27.2
226.11609	2.0
227.12830	12.8
228.12965	0.7
235.08109	3.0
243.12335	3.2
251.12891	1.5
253.09244	10.8
254.09264	0.5
263.12750	0.7
295.10269	0.6
327.21698	0.8
353.52368	0.5
416.15695	1.6
416.65833	1.0
417.22836	0.7
443.18759	0.6
445.20370	0.9
461.20224	4.5
534.20282	1.3
534.70795	1.1
558.32520	0.9
635.30634	0.9
653.31183	2.9
671.32196	2.3
672.32819	0.8
689.33752	10.4
689.80988	1.2
690.33911	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
57.16101	0.4
58.00468	1.2
59.01250	11.1
61.98695	2.6
69.03313	0.9
69.20914	2.6
69.21340	2.1
71.01252	41.9
71.04876	0.9
72.99172	1.5
73.02814	4.5
80.02541	1.8
81.03315	1.7
83.01243	1.5
83.04888	6.0
83.91283	0.5
84.02019	1.3
85.02823	5.3
87.00749	2.9
89.02309	6.2
91.03849	0.4
93.03355	1.4
95.01268	1.2
95.04902	2.0
96.95867	1.1
97.02835	2.3
97.06441	1.0
99.00740	2.9
101.02326	6.9
107.04903	0.9
109.06467	5.6
110.03618	0.7
113.02332	4.5
117.36205	0.6
117.85044	0.6
119.03400	2.1
123.04434	0.6
123.08027	0.9
125.02328	1.5
125.05994	0.8
125.09615	3.2
127.11175	1.6
133.02814	1.2
135.04416	1.3
135.08022	1.4
139.07567	0.9
139.11243	0.6
143.03394	1.3
145.04932	0.8
149.09624	0.7
151.11182	1.0
155.10689	0.9
156.39011	0.6
161.02371	3.1
161.04480	2.8
161.09642	1.3
163.11174	8.1
165.12749	5.0
167.10622	0.6
169.12286	0.8
171.10181	34.8
172.10516	1.8
173.04459	0.7
179.03383	1.8
179.05519	1.2
179.10658	1.0
181.12318	4.6
183.10187	0.7
185.11794	2.3
187.07520	0.8
189.09103	1.4
191.05614	2.3
191.10619	0.9
197.11758	3.7
198.12010	0.7
199.13339	3.0
201.05559	0.9
201.11255	15.0
202.06305	0.6
202.11548	0.7
207.10191	15.8
208.10509	1.3
209.11769	100.0
210.12080	7.5
211.13371	1.0
213.11243	0.5
215.12785	2.3
223.13387	0.8
225.11267	28.3
226.11603	1.5
227.12834	14.5
228.13161	1.1
229.08691	0.8
230.09407	2.0
235.08180	3.8
235.13295	0.6
243.12289	3.7
247.20641	0.9
251.12833	1.7
253.09253	10.5
291.19696	12.0
292.19919	1.0
295.10132	0.9
367.80945	0.6
397.13440	4.3
415.14484	2.7
416.15683	0.7
417.22546	1.1
429.87808	0.5
443.19052	0.9
461.20483	4.8
462.20386	0.7
479.21387	1.3
498.42157	0.5
541.35980	0.5
556.21564	0.7
558.33020	4.0
649.02985	0.6
653.31561	3.0
654.32349	0.7
657.31964	0.9
671.32880	3.7
689.23126	0.8
689.33661	15.6
690.34985	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38866	1.8
59.01254	10.6
61.98706	50.1
63.85769	1.8
68.99675	4.2
69.03338	1.8
71.01249	18.1
73.02831	2.2
75.00758	3.4
78.95786	18.6
81.03334	3.9
83.04911	8.8
85.02852	4.2
89.02324	2.6
95.04903	2.9
96.96896	2.7
97.02835	3.0
97.06479	2.8
98.19804	4.0
98.77448	2.0
101.02309	6.6
105.63006	1.9
109.06493	2.2
111.04416	6.1
113.02324	4.6
120.00171	2.0
123.08061	2.3
125.09644	5.6
125.52604	1.9
133.02873	3.3
135.04396	3.5
151.11121	2.6
152.99501	8.5
161.02382	6.6
161.09612	5.2
163.11212	5.1
165.12756	2.9
171.10188	50.7
171.11665	3.3
172.10464	3.5
177.09125	2.4
179.03442	5.7
179.10773	7.2
181.12227	2.0
185.11780	3.8
191.05536	3.9
197.11818	4.6
201.11307	4.0
205.08629	11.5
207.10123	9.2
209.11780	100.0
210.12160	5.2
211.13274	2.5
213.11285	6.9
223.09692	28.4
223.20848	1.8
224.10237	2.1
225.11314	10.2
227.12875	13.9
235.08221	5.4
241.10872	3.3
253.09360	9.1
255.23326	3.0
293.21216	4.0
357.07321	2.8
375.12045	2.3
394.15381	2.4
459.18774	3.8
502.97296	2.5
651.30597	5.7
669.30988	9.7
670.31909	2.5
687.32471	22.4
688.33502	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	686.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
61.98717	4.9
63.85830	1.1
69.32214	6.1
69.32626	2.6
78.41357	0.9
85.10379	0.9
92.30276	0.9
111.53156	0.8
113.91041	1.0
135.91946	0.9
161.02322	1.8
165.01837	4.2
179.03430	1.1
191.05489	1.0
195.04295	0.9
199.03960	1.4
215.03391	1.0
241.56082	1.0
243.02959	3.2
271.02463	38.9
272.02762	2.9
278.08865	1.1
285.03992	2.3
299.01956	76.1
300.02515	6.9
314.04318	81.6
315.04861	17.2
362.59616	1.0
449.27097	1.2
549.07727	1.2
623.16138	100.0
624.16400	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	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03310	1.1
57.37132	0.3
59.01249	8.1
61.98703	1.4
67.01770	0.6
69.03336	4.6
71.01257	7.3
71.04892	1.6
71.50846	0.4
72.99197	0.6
73.02811	1.7
80.02546	1.6
81.03321	1.9
83.01260	0.8
83.04897	5.0
84.02042	0.9
85.02825	2.6
87.00751	1.4
89.02318	3.3
93.03379	0.6
95.01254	1.1
95.04905	1.4
97.02824	1.5
97.06477	1.1
99.00758	1.5
101.02319	5.2
101.75294	0.4
109.02857	0.5
109.06483	1.5
111.58175	0.4
113.02320	2.9
119.03396	1.1
121.13500	0.4
123.08062	1.5
125.05997	0.6
125.09602	3.2
133.02849	1.9
135.02890	0.4
135.04425	1.6
135.08075	1.1
137.02269	0.5
137.05905	0.4
137.09660	0.7
147.04425	0.5
149.09631	0.6
150.03276	0.4
151.11180	3.1
153.12766	1.4
155.55519	0.4
161.02361	4.6
161.04468	1.0
161.09613	3.7
163.11194	4.8
165.12735	2.3
171.10164	3.2
173.09532	0.3
175.03949	0.5
179.03459	2.0
179.10680	8.4
180.11055	0.6
181.12221	1.9
183.04579	0.4
185.06006	0.4
187.03918	0.4
187.07594	5.3
189.05461	0.7
191.05530	1.5
191.10704	1.2
197.11765	50.2
198.12103	3.0
199.03894	0.4
199.13307	1.1
201.05492	0.6
201.08992	0.3
202.06299	0.5
203.03487	0.5
207.10240	2.7
209.11772	64.3
210.12077	3.9
211.13097	0.4
213.09105	1.0
215.07050	1.7
219.48570	0.3
223.09705	2.1
225.11263	3.9
227.03464	0.6
227.12830	6.3
227.14893	0.6
228.04112	0.4
228.13113	0.7
229.08546	0.7
230.09425	0.5
231.06558	0.6
231.10205	0.5
234.73659	0.4
235.08250	0.9
241.10809	3.1
243.12419	1.1
253.09279	3.9
257.08160	5.0
258.08600	0.6
286.78723	0.4
341.08871	0.9
443.82422	0.4
459.18649	1.4
477.19864	2.3
502.24246	0.4
518.17438	0.4
572.18640	0.7
643.24048	2.7
669.31958	1.7
687.32343	100.0
688.32721	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	685.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77289	0.7
55.81644	0.7
57.03320	1.1
59.00961	0.9
59.01250	16.3
61.98703	5.5
65.03838	0.9
69.03329	4.1
69.99091	3.1
71.01259	8.4
71.04888	2.1
73.02805	3.0
77.95858	0.6
78.95784	1.6
81.03323	2.1
83.01258	1.4
83.04888	2.8
85.02831	3.2
87.00741	1.5
89.02322	6.2
93.03329	1.2
95.04920	1.2
96.95927	1.0
97.02843	3.1
97.06460	2.0
99.00750	2.0
101.02312	4.8
107.04920	1.0
108.02083	0.7
109.06472	16.0
110.03637	0.9
111.04404	0.7
113.02325	2.8
113.41942	0.7
119.03421	0.8
121.02893	0.8
121.06474	1.6
123.08073	1.4
125.02383	0.9
125.09647	4.1
131.03351	1.4
133.02831	2.8
135.04437	1.7
135.08028	2.5
142.02567	0.8
143.03346	0.7
145.02824	1.1
149.04463	12.0
151.11174	2.9
152.99481	1.2
153.12730	1.4
161.02371	5.1
161.04443	2.4
161.09621	5.0
162.02701	0.7
163.11208	8.4
171.10173	3.5
177.01820	1.2
179.03378	1.5
179.10674	6.6
180.11066	0.8
181.12268	3.8
185.11746	1.6
189.09068	0.8
191.05522	1.8
197.11766	57.3
198.12103	2.8
202.06165	0.8
207.10213	25.9
208.10464	1.1
209.11765	5.7
211.13205	0.6
221.11794	1.1
223.09705	1.5
223.13345	2.2
225.11281	11.5
229.08502	0.9
235.08195	0.8
235.13316	1.0
239.12869	1.3
241.10748	2.8
243.12648	0.7
253.09261	2.6
255.23224	1.0
459.18372	0.8
461.20184	1.0
469.86673	0.6
477.19577	2.8
623.31042	1.2
625.39490	2.5
641.31055	1.0
667.30048	1.3
685.30762	100.0
686.31134	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	685.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
58.00471	4.8
59.01249	100.0
60.01591	1.8
61.98704	8.4
71.01253	59.3
71.49801	0.6
72.01593	0.6
72.99178	6.2
73.02827	1.5
75.00763	0.9
83.01260	1.8
85.02821	11.4
87.00758	4.3
89.02317	76.6
90.02679	1.1
92.10529	0.6
93.03339	1.4
95.01271	3.5
96.95898	1.7
97.02866	0.6
99.00800	0.6
101.02324	29.4
113.02326	25.5
114.02666	0.7
119.03388	29.1
120.03692	0.6
125.02367	1.2
131.03371	3.2
133.02820	3.0
135.04378	3.8
143.03392	6.1
149.02399	0.8
149.04460	4.4
156.89142	0.8
161.02364	11.1
161.04442	5.6
163.03856	0.9
173.04430	1.1
179.03479	1.7
179.05528	18.5
180.05804	1.3
191.05560	4.9
195.01410	0.6
200.02399	0.6
211.82574	0.7
371.15048	1.6
417.06857	0.7
568.78271	0.7
607.99652	0.7
623.19800	9.6
637.98456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.1
61.98701	10.9
70.20097	2.5
70.20430	0.6
71.01262	4.7
73.02825	2.4
80.37328	0.6
81.98990	0.5
82.80206	0.6
85.02824	3.1
87.00737	0.9
89.02329	1.7
93.03341	1.3
96.95889	0.6
98.39999	0.5
101.02343	2.4
111.04417	0.7
113.02330	2.8
119.03360	0.8
119.04896	0.7
125.02340	0.6
133.02827	3.3
135.04391	3.5
137.02359	0.7
149.02354	0.9
149.04459	0.8
150.03125	0.9
161.02385	6.4
161.04468	6.2
179.03445	2.7
191.05542	6.8
193.05005	1.5
193.08563	1.0
195.06628	0.6
209.08101	9.1
221.06712	0.6
229.08778	0.6
230.09480	0.9
299.01926	1.3
385.12906	0.7
388.15582	1.2
403.17606	11.1
404.17697	1.4
425.96695	0.7
559.89911	0.7
634.02295	0.7
685.38672	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	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
59.06836	0.3
60.24422	0.3
61.98702	0.9
64.89706	0.2
71.01247	2.5
71.49200	0.4
71.55460	0.2
73.02824	0.4
78.18497	0.2
78.18910	0.3
78.95783	0.5
79.27444	0.3
83.01266	0.4
85.02836	0.7
86.12841	0.2
86.43042	0.2
87.00753	0.6
89.02328	1.4
95.01280	0.3
97.06425	0.3
98.90727	0.2
99.00749	0.3
101.02322	2.5
113.02341	1.1
119.03374	0.7
121.10097	0.3
125.02335	0.3
125.09620	1.0
127.11200	1.9
135.04385	0.3
143.03372	0.3
150.05476	0.3
153.09216	0.3
161.04463	1.4
171.10188	100.0
172.10536	4.8
179.05486	0.3
179.14317	0.6
191.05583	0.5
195.13826	3.8
196.14528	0.3
209.11821	0.4
221.04845	0.3
223.13376	2.1
224.13840	0.4
231.21225	0.4
235.08194	3.6
253.09268	10.4
254.09613	0.4
275.20178	5.2
276.20435	0.3
277.21661	0.4
293.21234	43.2
294.21573	3.3
401.36490	0.3
407.19165	1.9
408.20139	0.3
447.31241	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08673	0.5
57.03315	0.8
59.00994	0.7
59.01254	6.7
60.99155	0.5
67.01755	1.7
69.03329	1.0
71.01259	5.5
71.49366	0.7
72.99164	0.9
81.03328	0.8
83.04916	0.6
85.02822	5.2
87.00752	3.3
89.02325	5.9
92.59132	0.6
93.03347	13.9
95.01267	0.9
96.95887	0.5
99.00717	0.6
99.04406	0.7
101.02312	2.3
105.03335	0.8
109.02824	1.4
111.04429	2.3
113.02313	2.1
119.03445	2.5
119.04895	0.9
125.02296	0.8
127.03915	1.2
133.02843	4.7
134.03606	1.5
135.04430	14.0
139.00241	2.3
140.01031	1.4
143.03418	0.7
143.43504	0.6
149.04471	1.1
151.00333	0.5
153.01863	1.1
154.02609	1.6
155.03400	3.8
161.02354	5.3
161.04427	0.8
163.03922	1.4
173.04482	5.0
177.01804	1.3
179.03430	9.5
179.05511	2.2
179.32993	0.5
181.04941	0.5
182.98129	0.5
189.67859	0.5
191.05542	100.0
192.05852	3.8
195.06543	0.5
199.42606	0.5
262.27213	0.6
264.04263	0.5
283.09842	0.6
292.37219	0.5
295.08020	0.6
308.09055	0.6
311.09210	2.7
317.08719	6.0
326.11624	1.5
341.13757	2.7
351.07285	0.9
353.08749	38.1
354.09186	3.1
367.10394	3.3
395.09851	6.6
425.11069	1.1
455.11978	1.8
683.18219	7.5
684.18341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50139	0.9
57.03313	2.2
58.00462	0.9
59.01247	14.6
61.98707	9.6
69.03316	5.5
69.44331	2.5
69.44755	4.2
71.01257	7.1
71.04890	2.8
73.02793	2.5
78.95786	2.6
81.03362	1.1
83.01247	1.0
83.04883	1.5
85.02814	3.2
89.02323	4.6
92.97198	1.0
95.01254	1.1
97.02821	1.7
97.06442	1.8
98.51773	0.9
101.02322	5.8
107.87120	1.1
109.06459	1.8
109.37810	1.0
113.02316	3.6
116.51036	1.1
118.64021	0.9
119.03352	2.1
119.04782	0.9
121.02889	1.3
123.08069	1.2
125.09618	2.4
132.02029	1.3
133.02808	5.1
134.03624	10.5
135.04390	3.6
135.07983	1.1
137.02274	1.5
145.04980	1.0
147.04388	2.1
148.05231	1.7
149.06001	2.3
150.06691	1.3
151.11191	2.6
153.12772	1.8
158.03648	3.0
158.07292	1.2
159.04370	1.7
159.08026	1.4
160.01569	9.2
161.02368	10.5
161.04492	1.5
161.09616	4.2
162.02687	1.0
163.07536	1.4
164.37784	1.0
167.10699	2.3
171.10216	2.1
172.05219	1.3
173.05952	4.7
173.09674	1.4
174.03116	1.8
175.03905	11.5
176.04694	8.0
177.01868	1.5
178.02638	2.1
179.03362	2.1
179.10701	8.8
179.14336	2.3
185.05829	1.2
186.06789	2.5
187.03917	3.5
187.07552	6.9
191.05560	2.4
191.07056	9.7
193.05020	12.1
195.13855	5.4
197.11754	79.9
198.12064	3.1
199.03999	1.0
200.04698	3.5
201.05518	14.3
201.09138	4.2
202.06274	7.3
203.07013	2.2
205.12202	4.9
206.12511	1.0
207.06584	4.1
207.10204	4.6
209.11743	10.5
211.13371	1.0
215.07077	1.4
217.05061	1.1
220.03667	1.3
221.11763	3.1
223.09871	1.1
223.13344	21.9
224.13638	2.2
225.11206	1.8
228.07880	2.7
229.08655	14.6
230.09396	23.4
231.09804	2.1
235.06071	21.7
235.08339	1.7
237.07576	1.4
237.14896	13.0
238.15433	1.2
239.12906	1.1
241.10823	5.1
247.09702	0.9
253.09157	4.7
265.07175	3.3
277.21722	2.2
291.97809	1.0
295.08173	11.1
296.08597	1.0
355.10382	5.0
409.14804	2.1
423.66647	1.2
477.19745	2.9
478.36719	1.2
479.37146	1.7
585.19727	3.8
586.20520	4.4
587.21118	1.3
682.80823	1.1
683.32904	100.0
684.33228	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	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55111	0.3
55.01745	1.4
57.03315	1.2
58.00460	1.3
59.01249	37.2
60.01575	0.4
61.98710	0.6
68.99676	0.6
69.03311	2.4
71.01252	34.5
71.49889	0.5
72.01556	0.4
72.99178	2.8
73.02443	0.5
73.02817	5.4
75.00735	0.8
78.95784	0.7
80.96336	0.3
81.03338	1.7
83.01262	4.2
85.02822	8.0
85.99993	0.4
87.00237	0.6
87.00748	8.9
88.55011	0.3
89.02316	26.3
90.02645	0.4
95.01252	2.4
95.14231	0.3
97.02823	5.9
99.00753	2.1
99.04409	0.7
101.02322	29.5
101.39455	0.3
102.02692	0.6
103.03876	0.6
109.02796	0.6
111.04375	0.7
113.02330	14.2
114.02647	0.3
115.03904	0.5
119.03377	8.0
121.02804	0.4
124.01579	0.3
125.02335	13.1
127.03878	0.9
129.01837	0.4
131.03371	1.3
133.02812	0.6
133.04942	1.0
135.04376	0.6
139.03896	0.9
141.01801	0.8
143.03406	5.5
149.04466	1.2
151.00298	0.4
161.02335	1.1
161.04451	6.1
167.03416	0.9
178.99730	0.3
179.03447	0.7
179.05518	6.0
185.04425	0.4
199.06065	0.4
217.07124	1.3
218.84502	0.3
219.04976	0.6
221.06564	1.6
235.08195	12.7
236.08644	0.7
245.06653	0.5
253.09213	2.9
263.07703	1.3
277.09317	1.2
277.21695	0.6
281.24841	100.0
282.22067	0.5
282.25189	9.7
287.07703	3.4
305.08774	4.2
323.09848	1.7
379.12408	1.0
394.07828	0.4
397.13464	80.2
398.13806	8.0
415.14545	31.7
416.15045	3.2
574.00006	0.3
679.27496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03312	2.8
58.00462	1.8
59.01252	40.7
62.94674	1.3
63.85901	1.6
71.01259	44.1
71.49934	2.6
72.99165	2.6
73.02820	7.7
75.00736	1.7
80.96406	2.5
83.01247	3.2
85.02820	7.6
87.00742	5.8
89.02322	39.1
90.98468	1.8
93.03335	2.9
95.01268	3.6
95.04919	1.5
96.95903	4.1
101.02332	19.6
109.02847	1.7
111.00751	1.9
111.04407	1.7
113.02341	14.5
119.03396	12.6
119.04884	2.0
121.02863	1.6
125.02330	2.2
131.03387	4.8
133.02838	2.8
135.04404	4.4
135.11691	14.7
137.02324	4.2
143.03392	3.2
149.04475	8.0
159.11691	1.6
161.02371	3.0
161.04471	4.0
161.09612	6.4
163.03932	1.7
165.01825	12.5
173.04533	2.4
174.66768	1.5
177.12816	1.7
179.03433	5.4
179.05548	7.5
179.09134	2.6
179.10704	53.6
180.04243	7.0
180.11069	3.6
191.05501	11.2
193.12274	2.1
195.06543	9.2
199.97031	1.5
203.10710	1.9
212.06807	2.2
221.11911	2.7
223.09727	13.3
224.15367	1.6
225.07625	11.4
227.09146	5.5
287.09320	1.6
297.11594	1.6
323.10037	7.9
341.10858	28.6
355.13901	3.8
367.13596	1.8
387.53378	1.4
403.13724	2.0
405.15472	3.0
427.16083	4.7
465.38116	1.5
499.18335	11.4
503.21283	7.4
504.21826	1.8
517.19403	3.6
547.20313	39.4
548.20618	5.6
679.24548	100.0
680.25189	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	679.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03312	2.8
58.00462	1.8
59.01252	40.7
62.94674	1.3
63.85901	1.6
71.01259	44.1
71.49934	2.6
72.99165	2.6
73.02820	7.7
75.00736	1.7
80.96406	2.5
83.01247	3.2
85.02820	7.6
87.00742	5.8
89.02322	39.1
90.98468	1.8
93.03335	2.9
95.01268	3.6
95.04919	1.5
96.95903	4.1
101.02332	19.6
109.02847	1.7
111.00751	1.9
111.04407	1.7
113.02341	14.5
119.03396	12.6
119.04884	2.0
121.02863	1.6
125.02330	2.2
131.03387	4.8
133.02838	2.8
135.04404	4.4
135.11691	14.7
137.02324	4.2
143.03392	3.2
149.04475	8.0
159.11691	1.6
161.02371	3.0
161.04471	4.0
161.09612	6.4
163.03932	1.7
165.01825	12.5
173.04533	2.4
174.66768	1.5
177.12816	1.7
179.03433	5.4
179.05548	7.5
179.09134	2.6
179.10704	53.6
180.04243	7.0
180.11069	3.6
191.05501	11.2
193.12274	2.1
195.06543	9.2
199.97031	1.5
203.10710	1.9
212.06807	2.2
221.11911	2.7
223.09727	13.3
224.15367	1.6
225.07625	11.4
227.09146	5.5
287.09320	1.6
297.11594	1.6
323.10037	7.9
341.10858	28.6
355.13901	3.8
367.13596	1.8
387.53378	1.4
403.13724	2.0
405.15472	3.0
427.16083	4.7
465.38116	1.5
499.18335	11.4
503.21283	7.4
504.21826	1.8
517.19403	3.6
547.20313	39.4
548.20618	5.6
679.24548	100.0
680.25189	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	677.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22686	0.1
58.02833	0.3
59.01248	0.7
61.98679	0.2
67.01756	0.2
69.36964	0.3
69.37368	1.0
71.01262	0.3
73.02821	0.2
74.94732	0.1
80.04948	0.3
81.03329	7.6
82.03625	0.2
83.04895	20.5
84.05243	0.4
85.02830	0.2
86.09840	0.1
89.02338	0.3
93.03330	0.3
97.02824	0.2
100.07583	0.4
101.02309	0.2
107.06020	0.4
108.04449	0.4
113.02332	0.2
125.07116	1.3
126.05498	0.5
133.02835	0.2
134.03635	0.2
135.04370	0.2
137.02385	0.2
143.08160	0.7
149.04530	0.2
157.13422	0.2
161.02316	0.4
173.04390	0.2
176.01021	0.2
177.01996	0.1
179.03343	0.2
191.05594	0.7
195.06570	0.1
199.18172	0.2
207.14954	1.8
208.13283	0.2
222.16077	0.2
223.05991	0.3
224.17624	3.1
225.16042	15.0
226.16354	0.9
227.09140	0.2
242.18742	0.8
251.14229	0.2
268.16568	0.2
290.22388	0.4
309.21790	0.7
324.26428	0.9
333.22958	1.3
335.82663	0.2
341.29260	1.3
342.29437	0.2
350.24188	0.2
351.24091	0.4
367.27155	1.1
385.28134	0.4
407.33710	0.2
433.31848	1.5
434.32001	0.2
450.34442	1.9
451.32870	7.2
452.33215	1.0
550.43268	1.1
551.43591	0.2
559.39740	0.5
565.44464	0.3
567.45984	0.3
593.43365	0.8
594.44611	0.2
659.48743	1.4
660.48590	0.4
677.49664	100.0
678.49976	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	679.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
65.00186	0.4
65.30733	0.5
65.49942	0.4
69.19722	2.9
69.20144	1.5
71.61554	0.5
83.01258	0.5
85.02860	0.7
89.02309	0.7
92.05244	0.4
93.03313	0.6
101.02328	0.7
107.01262	1.1
113.02328	0.7
132.02052	0.7
133.02861	0.8
134.03615	0.9
135.00758	0.8
135.04393	1.5
138.80577	0.5
151.00246	1.9
161.02328	1.9
163.00279	0.6
164.00967	0.5
173.04565	0.6
178.99770	1.4
179.03435	1.6
179.10738	0.5
185.02364	0.5
191.05542	3.2
193.05014	0.9
195.06557	0.6
199.03908	0.6
211.03929	1.6
227.03453	33.0
228.03888	2.0
229.04863	0.7
255.02963	64.6
256.03513	9.0
257.04520	1.1
283.02463	1.7
284.03256	100.0
285.03821	14.9
286.04474	0.7
429.56558	0.6
471.09305	1.3
485.12375	0.5
539.51471	0.5
547.24451	1.0
635.16144	60.2
636.16467	8.9
675.00684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32548	0.2
55.01756	1.4
57.03320	1.4
58.00471	2.6
59.01251	44.8
60.01609	0.3
61.98694	0.4
67.01769	0.3
68.99692	0.5
69.03326	2.5
71.01254	38.3
72.01579	0.3
72.99184	2.9
73.02818	6.5
73.76389	0.2
75.00745	0.8
78.95783	0.4
81.03344	1.4
83.01257	3.9
83.04883	0.4
84.84008	0.2
85.02826	7.2
85.99982	0.6
87.00754	9.0
87.01288	0.4
88.01057	0.2
89.02318	31.5
91.03902	0.8
93.03326	0.2
94.44655	0.2
95.01263	2.7
97.02831	5.8
99.00744	2.1
99.04379	0.5
101.02323	28.2
102.02663	0.7
103.00267	0.3
103.03866	0.4
109.02824	0.4
111.00762	0.7
111.04405	1.0
113.02333	13.4
115.03931	0.6
119.03391	10.0
121.02843	0.7
123.04399	0.2
124.01553	0.3
125.02335	12.6
126.02649	0.4
127.03879	0.5
129.01778	0.3
131.03392	1.7
133.04976	1.3
137.02341	0.3
139.03885	1.0
141.01814	0.8
143.02383	0.4
143.03410	5.9
149.04498	0.9
155.03438	0.2
157.04901	0.4
161.04457	6.6
167.03423	0.8
169.04967	0.4
171.02820	0.3
173.29585	0.2
179.05536	6.3
185.04550	0.6
199.06163	0.3
203.05562	0.3
217.07199	1.1
219.05048	0.6
221.06577	2.2
229.17195	0.2
235.08197	12.6
236.08615	0.5
245.06636	0.7
253.09244	3.2
254.09813	0.2
259.08258	0.2
261.22180	0.4
263.07681	1.4
277.09341	1.2
279.23282	100.0
280.23615	8.6
287.07748	3.8
293.24725	0.3
305.08752	3.8
306.08820	0.3
323.09790	1.5
334.11722	0.2
361.11526	0.6
379.12469	1.4
397.13489	76.4
398.13861	5.3
415.14566	30.6
416.14883	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
57.03315	2.0
57.83558	0.7
58.00460	1.8
59.01250	59.7
69.03325	2.7
71.01254	44.3
72.99165	2.5
73.02817	6.8
78.95778	1.8
81.03316	2.0
83.01249	5.0
83.04890	0.8
85.02824	9.6
87.00748	10.3
89.02316	37.8
95.01277	3.1
95.15507	0.7
97.02822	7.7
98.19867	2.0
99.00735	1.9
99.04359	0.7
101.02319	35.5
102.02659	1.2
109.02838	1.1
111.04411	1.2
113.02332	16.1
115.03914	1.0
119.03396	12.4
121.02856	1.0
125.02334	14.2
126.02664	0.7
127.03867	1.2
131.03348	2.1
133.04927	0.8
139.03871	1.0
143.03406	8.1
146.52699	0.7
149.04449	1.6
152.99521	0.9
156.83060	0.7
161.04457	8.0
172.26651	0.7
179.05548	8.0
184.15990	0.7
185.04491	1.2
188.16286	0.6
217.07187	1.0
221.06569	2.7
235.08174	16.1
245.06638	1.3
253.09203	4.5
259.20697	0.9
263.07739	1.8
277.21710	100.0
278.22089	10.5
287.07819	3.3
305.08835	4.1
323.09732	2.1
379.12585	1.0
397.13489	85.3
398.13837	7.1
415.14560	34.3
415.18936	0.5
416.14877	2.9
433.47638	0.7
515.57843	0.6
675.35028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.2
61.98693	0.5
71.01248	0.8
71.49539	0.8
74.54863	0.4
78.95782	3.3
86.00725	0.4
89.02335	0.5
96.96850	0.7
152.99507	1.5
161.02365	0.9
161.11302	0.4
166.84114	0.3
191.28523	0.4
197.12007	0.4
252.40045	0.4
277.21704	1.9
309.20920	0.5
343.12775	0.7
397.13455	0.5
649.20209	0.4
675.33722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.3
57.03312	0.9
58.00469	2.4
59.01251	39.0
59.68584	0.4
61.98702	4.0
69.03317	2.1
69.28630	3.8
71.01254	33.5
72.01590	0.4
72.99178	3.2
73.02821	5.7
75.00733	1.1
78.95777	1.7
81.03330	1.4
83.01255	4.2
85.02823	7.4
87.00747	8.5
89.02318	28.6
91.03884	1.1
93.03331	0.8
95.01271	2.5
97.02827	5.1
98.20554	0.9
99.00772	2.1
101.02321	25.4
102.02691	0.5
103.03909	0.7
105.69163	0.4
109.02829	0.5
111.00792	0.9
111.04416	1.0
113.02332	13.7
115.03849	0.6
119.03387	8.5
119.04905	0.4
125.02337	11.7
131.03389	1.7
133.04962	1.2
135.04541	0.6
137.02318	0.5
139.03949	0.8
141.01849	0.6
143.03401	5.2
149.04466	0.8
152.99445	0.5
161.04472	6.2
163.03911	0.7
167.03358	0.8
179.05525	7.0
185.04497	1.0
191.05556	0.6
192.09537	0.5
203.05481	0.7
217.07104	1.3
219.05168	0.6
221.06577	2.4
235.08185	13.5
236.08514	0.8
245.06573	0.7
253.09280	3.8
263.07709	1.7
277.09363	0.7
279.23276	100.0
280.23608	8.6
287.07642	2.7
305.08728	3.1
323.09842	1.7
379.12344	0.8
397.13474	76.3
398.13855	6.3
415.14551	30.3
416.15002	2.9
446.10123	0.5
469.38605	0.5
487.87198	0.5
548.41644	0.4
657.54309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55355	0.5
55.01745	1.2
57.03333	1.1
58.00463	2.0
59.01250	53.1
61.98700	1.8
68.99701	0.6
69.03340	2.7
69.23609	0.6
70.87687	1.2
71.01252	41.9
72.99181	2.7
73.02817	6.5
75.00742	0.8
78.95782	2.4
81.03326	2.1
83.01262	6.0
83.04917	0.6
83.72502	0.6
84.74773	0.5
85.02818	9.0
87.00744	9.7
89.02316	34.2
95.01275	2.6
97.02827	6.9
99.00742	1.7
99.04391	0.7
100.54469	0.5
101.02321	30.4
101.84893	0.5
103.03908	0.6
108.67657	0.6
109.02867	0.8
111.00769	0.9
111.04407	1.0
113.02327	17.0
119.03380	10.2
121.15157	0.5
124.12688	0.5
125.02329	12.8
131.03409	1.8
133.04967	1.1
139.03934	0.7
141.01823	0.8
143.03400	7.0
149.04436	1.5
152.99469	1.2
161.04448	7.0
167.03395	1.0
179.05504	6.9
185.04393	0.6
217.07118	1.7
221.06610	2.9
235.08179	14.9
236.08492	1.2
245.06651	1.2
251.22116	0.5
253.09315	4.2
263.07629	1.4
275.20117	0.9
277.21710	100.0
278.22043	9.3
287.07690	3.2
291.23151	0.6
305.08807	4.1
323.09854	1.9
361.11102	0.7
379.12173	1.3
397.13464	78.2
398.13855	6.6
415.14560	34.9
416.15018	2.9
675.35541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3523
Annotation	Dianthin C
Peak:m/z	Relative Intensity
51.69260	1.0
59.01252	9.8
61.98708	20.3
71.01241	3.4
71.50202	1.6
73.02824	1.6
74.71384	1.0
78.95780	100.0
81.03369	0.9
83.04884	1.9
85.02802	1.1
88.66100	0.8
95.04913	1.2
96.96850	9.0
101.02347	1.2
111.17517	0.9
116.92713	1.1
125.09604	1.6
127.11171	1.1
129.09128	1.4
134.98419	1.6
150.83534	0.9
152.99500	57.5
155.10681	1.2
163.11156	2.1
165.12830	1.1
167.10660	1.0
171.10135	4.9
181.12256	1.6
185.11716	1.5
195.13795	3.6
197.11765	2.8
199.13286	1.1
201.11232	2.6
207.10263	2.2
209.11787	27.9
210.12126	2.5
211.13361	4.4
212.13597	1.1
215.12816	1.3
225.11252	6.1
227.12848	5.0
231.09885	1.1
244.55013	1.1
277.21686	5.1
293.21225	3.4
295.22842	15.6
296.23141	1.9
311.22348	8.2
346.98431	1.0
361.10526	3.6
363.12125	12.8
379.11679	10.8
380.12366	1.0
381.13263	2.9
394.06213	1.0
394.70068	1.1
397.13181	3.4
431.21991	5.0
447.21524	8.9
448.22009	1.1
449.23047	2.4
465.22476	4.1
466.22635	1.3
587.04962	1.1
657.34113	6.2
675.35156	55.2
676.35303	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	675.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69209	0.4
59.01248	100.0
60.01588	1.2
61.98698	16.7
65.34063	0.3
68.07626	0.4
69.43855	3.0
70.27780	0.4
71.01260	1.2
75.99940	0.4
78.95761	2.5
85.02839	0.7
89.02337	0.4
93.03340	0.5
93.18967	0.4
98.20536	0.8
121.02853	6.8
133.02866	0.5
135.04453	0.4
149.09656	0.4
161.02412	0.8
165.15991	0.4
169.69975	0.4
171.10236	1.7
172.10551	0.6
173.04520	1.0
173.05873	0.4
179.03474	0.7
191.05629	1.5
209.04498	3.2
209.11771	2.2
210.12155	0.5
211.13371	0.7
223.06044	0.4
223.13504	0.8
224.13715	0.6
227.12935	1.1
229.08887	0.6
277.21933	0.4
549.10681	0.7
571.08948	1.3
593.13104	2.1
594.13477	0.7
675.35028	0.8
676.36011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
59.01249	100.0
59.92939	0.3
60.01582	0.9
61.98702	18.5
71.01283	0.8
71.50123	0.4
71.50504	0.4
75.00721	0.3
77.48756	0.3
78.95768	2.4
85.57394	0.4
87.00744	0.4
93.03339	0.8
111.04382	0.5
121.02844	7.3
133.02864	1.1
134.58292	0.4
135.04405	0.6
140.50214	0.4
152.99507	1.1
161.02339	1.8
171.10199	1.7
172.05258	0.4
173.04474	0.8
179.03447	0.7
191.05585	1.3
209.04504	3.1
209.11839	1.3
210.12238	0.5
211.13374	0.7
223.13327	0.4
224.13786	0.4
227.12909	0.8
257.21808	0.4
263.13016	0.5
295.22891	0.9
353.26028	0.4
499.55212	0.4
549.10168	0.7
556.49756	0.4
571.08966	0.7
576.60236	0.4
593.13159	1.7
594.14178	0.4
655.56952	0.4
675.34985	1.2
683.07941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.1
62.23779	0.2
69.56516	1.5
71.01257	1.2
73.02814	0.3
80.02541	0.8
81.03329	0.8
83.01255	0.3
83.04890	3.6
84.02037	0.8
85.02835	0.4
87.00735	0.5
89.02336	1.0
93.03333	0.3
95.04887	0.7
101.02325	1.3
106.56757	0.2
109.06458	0.3
113.02314	0.8
121.02843	0.2
123.08081	0.3
125.05955	0.5
125.09608	0.3
126.66177	0.2
135.08060	0.5
161.04456	0.5
163.11183	3.3
164.11540	0.3
165.12772	1.8
171.10149	2.4
181.12224	0.5
191.05630	0.3
191.10689	0.8
209.11761	100.0
210.12097	6.2
221.11719	0.4
227.12842	13.5
228.13188	0.9
235.08176	1.6
247.13347	1.5
253.09248	6.3
254.09634	0.5
369.87204	0.2
445.20712	0.9
446.20819	0.3
611.30835	0.3
637.32074	0.8
655.33197	0.3
673.33160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
58.00459	0.2
59.01251	2.3
61.98693	0.1
65.03815	0.1
69.03326	0.2
71.01250	1.9
71.04888	0.2
72.99147	0.1
73.02822	0.4
76.81917	0.1
80.02547	1.1
81.03331	1.3
83.01276	0.3
83.04895	4.4
84.02040	0.8
85.02837	0.6
87.00768	0.4
89.02325	1.4
89.21050	0.1
92.04942	0.5
93.03349	0.4
93.05293	0.1
95.01309	0.2
95.04918	0.7
96.95906	0.1
97.02847	0.2
97.06451	0.1
98.20549	0.3
99.00750	0.2
101.02322	1.7
109.06477	0.4
109.65230	0.1
111.04457	0.1
111.08031	0.2
112.17986	0.1
113.02338	0.7
119.03414	0.3
121.05131	0.1
123.08057	0.2
125.02340	0.2
125.05990	0.5
125.09618	0.4
135.04495	0.1
135.08049	0.7
136.03975	0.6
137.04253	0.1
145.04991	0.3
147.11703	0.2
149.09618	0.2
150.06781	0.2
153.12631	0.1
161.02399	0.2
161.04488	0.7
163.09837	0.2
163.11201	3.6
164.11537	0.3
165.12756	2.3
166.88416	0.1
171.08775	0.2
171.10185	2.5
172.10536	0.2
173.04533	0.2
179.03381	0.1
179.05602	0.2
181.12253	0.7
185.11729	0.3
191.05540	0.6
191.10718	0.7
199.13341	0.8
207.10194	0.2
209.11771	100.0
210.12102	6.6
221.11766	0.4
221.15590	0.1
223.13385	0.2
227.12840	14.2
228.13110	0.9
229.14296	0.1
235.08205	1.8
236.08502	0.2
239.12808	0.2
247.13364	1.5
253.09267	5.9
254.08218	0.5
255.08699	0.3
265.14404	0.3
313.09491	0.2
328.11887	0.5
329.12244	0.8
375.21774	0.2
401.23190	0.3
414.44846	0.1
419.24338	0.4
437.25278	0.2
445.21030	0.8
463.21640	0.4
483.21927	0.1
510.35556	0.1
593.28973	0.2
611.30621	0.3
637.31702	0.8
655.33044	0.5
673.40973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
56.96269	0.7
57.03321	1.7
58.00471	1.6
58.97186	0.9
59.01250	46.8
61.98705	3.8
69.03327	2.4
71.01254	32.4
71.04908	0.9
71.50568	1.1
71.50908	0.9
72.01606	1.1
72.99176	1.2
73.02408	1.2
73.02819	23.2
75.00784	0.8
75.56605	0.7
78.95788	2.1
81.03348	1.5
83.01257	7.3
83.04891	4.2
84.02032	1.0
85.02830	6.6
87.00749	4.0
89.02314	9.5
93.03317	5.8
95.01270	1.9
95.04924	1.3
97.02859	2.2
97.06420	0.9
99.00764	2.0
101.02320	22.2
109.06483	2.8
111.04397	1.2
111.08032	0.9
113.02326	10.0
119.03384	3.6
121.02820	1.1
121.06462	1.2
125.02322	2.3
125.09677	1.3
131.03389	1.7
133.02843	3.5
134.03621	1.2
135.04407	5.6
135.08057	1.5
137.02341	1.6
141.12689	0.8
143.03333	1.5
149.04442	2.8
151.00305	1.6
151.11189	1.0
159.08078	0.8
161.02345	5.9
161.04463	3.6
162.02747	1.5
163.11163	4.0
164.11414	0.9
165.12769	1.6
166.05020	1.4
169.12267	1.5
171.10156	8.2
173.04478	5.2
173.09511	0.8
178.02672	0.9
178.99728	1.5
179.03416	5.1
180.03743	1.1
181.12238	2.3
183.13881	1.4
185.11728	2.1
187.07619	1.2
191.05579	9.4
191.07156	1.6
191.10751	1.2
192.05899	0.9
197.11821	2.3
199.13341	2.8
201.05481	1.4
202.06143	1.2
207.10214	5.9
208.10527	3.1
209.11780	76.6
210.12128	9.1
211.13437	7.2
212.13638	0.8
215.07133	1.1
221.11896	0.9
223.13391	2.8
225.11285	7.2
226.11656	1.8
227.12859	16.0
228.13275	1.0
229.08607	1.5
229.13658	0.8
230.09470	1.3
235.08156	2.6
247.13290	1.5
253.09268	5.5
275.20157	11.4
276.20355	1.4
277.21777	2.3
293.21252	19.2
294.21536	1.7
397.13437	1.6
401.22885	1.5
422.65619	0.8
437.25537	3.9
443.19339	0.8
445.20834	1.2
455.26468	9.6
497.27560	100.0
498.21048	1.3
498.27917	16.4
587.31091	1.1
629.31665	14.7
629.40955	1.3
630.31885	3.4
637.31592	2.5
655.32574	3.6
673.34418	9.8
674.34650	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	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00140	1.7
59.01248	3.5
61.98701	1.9
69.42841	3.0
69.43235	10.6
71.01259	2.0
75.47029	1.5
85.02837	2.6
86.73859	1.6
89.02308	3.3
93.03368	2.0
101.02286	1.6
107.01340	1.6
109.02821	2.1
121.02853	2.2
135.04404	6.2
151.00262	10.8
160.18489	1.5
161.02280	3.2
163.00340	1.7
173.04478	3.1
177.01883	1.7
178.99788	5.1
179.03456	3.4
191.05519	12.4
194.00813	1.7
227.03479	3.2
229.01468	2.2
243.02936	6.9
254.02098	2.1
255.02925	20.0
256.03250	2.1
264.58542	1.6
271.02487	38.8
272.03033	2.0
285.04092	1.6
299.02005	3.1
300.02737	71.4
301.03448	28.8
302.03928	1.8
546.34473	1.8
609.14581	100.0
610.15039	12.2
673.15851	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	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00140	1.7
59.01248	3.5
61.98701	1.9
69.42841	3.0
69.43235	10.6
71.01259	2.0
75.47029	1.5
85.02837	2.6
86.73859	1.6
89.02308	3.3
93.03368	2.0
101.02286	1.6
107.01340	1.6
109.02821	2.1
121.02853	2.2
135.04404	6.2
151.00262	10.8
160.18489	1.5
161.02280	3.2
163.00340	1.7
173.04478	3.1
177.01883	1.7
178.99788	5.1
179.03456	3.4
191.05519	12.4
194.00813	1.7
227.03479	3.2
229.01468	2.2
243.02936	6.9
254.02098	2.1
255.02925	20.0
256.03250	2.1
264.58542	1.6
271.02487	38.8
272.03033	2.0
285.04092	1.6
299.02005	3.1
300.02737	71.4
301.03448	28.8
302.03928	1.8
546.34473	1.8
609.14581	100.0
610.15039	12.2
673.15851	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	671.401
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03336	1.7
59.01247	12.8
59.66008	0.8
61.98703	3.1
68.99693	0.6
69.03340	1.2
70.52985	2.4
71.01257	8.8
72.99170	1.1
73.02819	1.9
74.98969	1.1
75.00743	0.7
78.95764	1.6
80.02547	1.1
81.03327	1.4
83.01276	1.9
83.04884	3.9
85.02812	3.7
87.00757	1.7
88.98694	1.5
89.02325	5.3
92.04938	4.9
93.03365	2.3
93.68994	0.6
95.04895	1.5
96.95884	1.2
97.02839	1.5
98.20484	0.9
99.00780	1.3
99.04408	1.2
101.02309	4.4
109.06470	6.0
111.04343	1.2
113.02334	4.9
115.40344	0.8
117.03407	0.7
119.03378	1.5
121.02937	0.8
121.06503	0.8
123.04421	0.7
125.09634	1.3
127.11197	0.7
133.02861	5.2
135.04428	4.3
135.08047	2.7
136.03909	4.9
136.04799	1.1
137.09673	1.0
145.02858	1.2
149.04449	1.5
149.06001	5.8
150.06766	47.5
151.03943	0.9
151.07265	2.6
158.03532	0.7
161.02357	11.0
161.04465	2.1
161.09656	2.2
162.02719	3.0
162.06773	1.0
163.07552	9.6
163.11185	7.1
163.26381	0.7
164.08345	5.3
171.10216	2.1
173.04468	1.5
173.05962	1.1
175.07600	1.0
176.08412	1.5
177.09111	1.0
178.09990	3.9
179.03419	4.6
179.10696	14.4
180.03909	0.8
180.11050	1.0
181.12349	2.0
185.05858	0.8
187.07602	1.1
191.05502	5.1
198.01074	0.7
201.05568	1.1
201.11389	1.2
202.06277	1.7
207.10185	18.8
208.10574	1.5
209.11765	38.4
210.12096	2.8
225.11276	22.5
226.11671	1.5
227.12822	7.0
230.09454	1.3
231.10104	1.4
235.08272	2.4
253.09309	4.1
254.08159	0.8
265.14374	0.9
327.25629	1.0
328.11972	1.8
329.23303	7.1
377.91370	0.7
399.21652	1.9
407.15344	1.8
417.22809	1.9
430.30899	1.1
435.24057	1.0
443.19168	1.5
445.33136	0.8
448.31915	9.5
449.32419	1.6
461.20242	5.2
462.20047	0.9
462.33356	1.7
463.34189	13.0
464.34525	1.2
490.33154	2.6
491.33826	4.2
508.34366	2.8
509.34793	31.8
510.35318	5.3
534.20270	1.5
611.36884	1.1
635.30957	3.1
639.25830	0.8
653.31976	4.8
654.32318	1.2
671.40393	100.0
672.40814	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.9
57.03356	0.8
58.00503	0.4
59.00975	0.7
59.01252	12.3
60.88685	0.4
61.98709	3.0
69.03350	0.9
71.01254	7.2
71.04953	0.8
71.08286	1.2
72.18157	0.4
72.99226	0.5
73.02871	1.9
75.00784	0.6
80.02554	2.3
81.03349	3.0
83.01316	1.5
83.04898	5.9
84.02084	1.0
85.02885	2.0
87.00803	1.6
89.02312	3.4
93.03387	1.5
95.01297	0.8
95.04944	1.9
96.95953	0.7
97.02827	5.4
97.06523	1.5
99.00760	3.6
101.02324	5.7
106.13006	0.5
107.04996	1.0
109.06474	15.7
110.03653	2.1
111.04474	1.2
113.02364	3.3
115.37916	0.4
117.03378	0.4
119.03420	1.2
121.02889	1.0
121.06547	1.5
123.04442	1.2
123.08107	1.6
125.02356	0.6
125.06001	0.8
125.09612	4.3
131.03448	0.5
133.02821	2.4
134.03314	0.6
135.04393	2.1
135.08067	3.1
136.05232	2.3
137.06056	0.5
142.02669	1.4
145.02881	0.9
145.05078	1.0
149.04526	0.6
149.06015	0.5
151.07503	2.2
152.99529	0.6
161.02356	6.8
161.04388	2.2
161.09653	1.5
162.02692	2.1
163.02861	0.6
163.11201	15.6
164.11502	0.7
165.09056	0.5
165.12779	2.5
171.10202	4.7
173.04416	0.5
179.03442	1.3
179.05415	0.6
179.10745	1.2
181.12288	6.3
185.11784	1.6
187.09518	0.4
189.09181	0.8
191.05563	0.8
191.10741	0.7
197.11812	0.7
199.13304	1.4
201.11205	1.8
201.12848	0.5
203.03427	0.6
205.12361	0.5
207.10214	56.3
208.10558	4.5
209.11783	100.0
210.12111	6.5
217.12091	0.6
223.09653	0.7
223.13391	1.5
225.11290	46.4
226.11559	3.8
227.12856	14.2
227.15137	0.6
228.13152	0.6
231.10185	0.8
235.08228	3.9
235.13232	0.9
239.12749	0.5
241.09692	0.8
243.12358	3.5
247.13295	1.5
249.11288	1.2
251.12959	0.7
253.09294	7.8
263.12790	1.1
265.14450	1.3
299.14908	0.7
315.13528	2.2
341.08881	0.6
355.22653	0.7
371.22198	0.6
373.23660	1.9
391.24759	1.1
399.21725	5.3
417.22775	4.7
425.39240	0.5
435.23575	1.1
443.19205	2.8
445.20667	1.1
461.20297	13.2
462.20126	1.9
463.20871	0.6
467.33261	0.7
468.04645	0.4
485.20560	0.5
574.19000	0.8
609.30432	0.9
611.37164	1.6
625.31494	0.7
627.29535	1.1
628.70544	0.6
629.37927	1.8
635.30621	6.6
636.30658	1.6
653.31775	14.8
654.32355	2.7
671.31848	20.0
672.32245	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	671.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03315	1.3
58.00451	0.5
59.01251	14.9
61.98690	1.2
65.03834	0.7
67.01763	0.7
69.03334	0.5
69.25388	4.8
71.01254	8.2
72.99187	0.4
73.02818	1.7
80.02547	2.0
81.03321	2.1
83.01259	1.3
83.04901	7.2
84.02045	1.5
85.02820	2.7
86.42027	0.4
87.00747	2.0
89.02307	5.5
93.03341	2.2
95.01270	0.9
95.04887	1.9
97.02826	6.6
97.06461	1.4
99.00768	3.2
101.02325	7.2
104.63803	0.6
106.04128	0.6
107.04881	0.7
109.02808	0.6
109.06475	17.6
110.03614	2.0
110.06812	0.7
111.04453	0.5
113.02323	4.0
117.88264	0.4
119.03384	2.0
119.04886	0.5
121.02853	0.5
121.06477	1.5
123.04420	0.6
123.08067	0.5
124.45461	0.4
125.02374	0.8
125.06030	0.8
125.09608	3.2
129.01813	0.5
132.45541	0.4
133.02861	5.2
133.06447	0.7
134.03328	0.6
135.02901	0.9
135.04425	5.5
135.08054	3.9
136.05132	0.9
137.02357	0.7
142.02628	1.3
143.03391	0.7
145.04921	1.0
149.09616	0.6
158.03636	0.5
161.02351	13.2
161.04474	1.8
161.09628	1.4
162.02644	2.9
163.09840	0.8
163.11195	14.2
164.11505	0.9
165.12816	2.5
171.10178	3.8
173.05853	0.5
177.12790	0.6
179.03427	7.6
179.05080	0.8
179.05473	0.7
179.10696	1.2
180.03763	1.4
181.12248	6.5
185.11775	2.4
187.09662	1.0
188.18297	0.5
189.09117	1.4
191.05571	2.5
191.10710	1.6
196.84178	0.5
199.13324	0.9
201.05443	0.5
201.11227	0.8
202.06259	0.8
203.03426	1.3
207.10207	58.1
208.10597	3.2
209.11774	100.0
210.12083	7.0
211.13310	1.6
216.38046	0.5
221.11867	0.9
223.13321	1.4
225.11279	47.1
226.11609	3.3
227.12840	14.5
228.13297	0.6
231.10190	1.2
235.08270	3.5
235.13351	1.0
243.12297	2.5
245.11734	0.9
247.13336	1.3
249.11296	1.3
253.09268	9.9
263.12894	1.3
265.14420	0.9
281.13962	0.6
299.15012	1.1
309.15216	0.6
341.08789	0.7
342.09219	0.7
343.09454	1.0
355.22867	0.6
373.24020	2.3
381.20770	0.8
389.23294	1.1
391.25122	0.8
399.21667	4.8
405.17499	0.6
407.23926	0.5
407.65353	0.7
417.22836	4.7
418.23172	0.8
435.23907	1.4
443.19165	3.1
445.20789	0.9
461.20230	15.2
462.20688	1.4
467.17972	0.5
473.25336	0.6
485.20087	0.7
573.18420	0.6
574.19391	0.9
609.31714	0.7
611.35748	0.7
625.32147	0.6
627.30322	0.5
629.35785	1.3
635.30798	9.4
636.31006	1.5
642.31488	0.6
653.31781	16.3
654.32550	3.9
671.32843	24.8
672.33130	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66518	0.6
55.01766	0.6
57.03309	0.7
59.01247	10.9
65.03812	0.6
67.05373	0.5
68.51742	0.5
69.03301	0.9
69.24898	2.6
69.25323	2.1
71.01245	5.1
73.02822	1.0
80.02550	2.5
81.03322	3.8
83.01246	1.0
83.04897	7.6
84.02032	1.5
85.02831	1.7
87.00758	2.0
89.02308	4.5
93.03342	2.2
95.01273	0.6
95.04884	1.2
97.02824	5.0
97.06435	0.7
98.19753	1.1
99.00764	1.0
101.02310	5.9
106.04104	0.6
107.04945	0.8
109.06470	25.8
110.03610	1.3
110.06779	1.1
111.04391	0.6
113.02326	3.4
119.03386	1.3
121.06490	1.7
123.08041	1.2
125.06062	0.5
125.09599	3.0
135.08034	4.7
136.05170	1.6
141.42647	0.5
142.02602	1.5
145.10062	0.6
161.02362	0.9
161.04459	1.7
161.09607	1.3
162.02704	0.7
163.11191	18.7
164.11540	1.1
165.12715	2.0
171.10172	5.5
179.10622	0.6
181.12308	4.3
185.11829	3.3
187.09599	0.9
189.09187	1.1
191.10728	1.3
197.11639	0.7
201.11244	0.9
207.10197	66.5
208.10565	4.1
209.11760	100.0
210.12090	6.3
213.09067	0.7
217.12231	1.3
221.11742	0.9
223.13347	0.6
225.11266	30.4
226.11652	0.9
227.12823	12.6
227.27913	0.5
228.13113	1.3
231.10155	1.2
235.08200	3.1
245.11717	0.8
247.13281	1.2
249.11220	2.1
253.09276	9.6
254.09624	0.6
263.12787	2.3
265.14398	1.3
299.15030	1.0
355.22714	0.8
373.23984	1.1
381.20242	0.5
389.23318	0.8
399.21701	6.4
417.22720	5.6
435.23752	1.6
443.19104	2.9
452.96844	0.6
461.20285	9.9
462.20444	1.2
462.90558	0.6
485.20221	0.7
625.31641	0.6
627.30780	0.7
635.30756	9.3
636.31140	2.1
642.56775	0.6
653.31689	14.0
654.32190	2.2
671.32721	24.7
672.33014	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	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.6
57.03320	3.1
58.00454	1.2
59.01251	40.5
60.01583	0.6
61.98701	1.4
62.56578	0.4
64.74026	0.4
69.03325	0.6
69.27316	2.2
69.27739	1.8
71.01254	28.7
72.01590	0.6
72.99174	2.2
73.02819	8.5
75.00748	1.1
79.16352	0.4
83.01258	6.7
85.02825	14.5
85.99980	0.7
87.00764	2.3
89.02319	9.7
93.03353	2.4
95.01266	3.0
96.95918	0.4
97.02814	0.8
97.06464	0.6
99.00745	3.3
101.02326	22.4
102.02641	0.6
111.00758	4.0
113.02336	11.2
119.03378	3.3
119.04859	0.5
121.02811	0.4
125.02328	1.3
129.01816	0.9
131.03415	0.7
132.02141	0.4
133.02870	6.0
134.03629	0.7
135.04410	5.9
137.02335	0.7
143.03421	0.9
149.04466	1.1
159.02902	1.4
161.02351	15.7
161.04410	3.5
162.02678	1.2
163.03885	0.6
172.05196	0.8
173.04419	1.5
173.05891	0.9
174.03143	0.6
175.03894	0.6
178.02580	0.5
179.03441	5.8
179.05498	1.8
181.04948	0.7
187.03987	0.9
187.07587	2.5
188.08365	0.5
189.05457	0.5
191.05522	3.5
196.07271	1.3
200.04686	0.7
201.05446	1.8
201.09126	0.9
202.06184	0.9
203.07013	0.5
211.09686	2.5
215.07059	1.9
229.08647	1.5
230.09460	4.2
231.06551	0.6
231.10193	0.8
247.09636	0.5
257.08115	1.5
274.02222	0.4
283.13434	0.5
299.25665	0.5
345.30093	3.4
405.19119	1.2
411.16171	0.6
457.90326	0.4
471.26364	0.5
507.23517	0.6
507.35300	10.6
508.35574	1.5
521.33270	0.8
571.19153	0.5
572.21136	1.3
594.20142	0.5
623.20093	1.0
625.23010	1.5
626.23163	0.6
669.40607	100.0
670.40961	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	670.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.8
61.98701	100.0
71.01260	0.9
73.02818	0.3
76.33218	0.3
85.02822	0.4
89.02317	0.3
93.03362	0.3
96.95895	1.8
98.20518	0.6
101.02357	0.4
113.02356	0.7
116.92712	0.6
133.02832	1.3
135.04413	0.9
139.00247	0.6
154.02634	0.6
161.02338	2.1
161.04445	0.3
165.01851	0.8
169.05013	0.7
179.03458	1.0
191.05493	0.6
230.09474	0.3
255.02945	7.1
256.03384	0.5
271.06076	0.3
283.02472	19.2
284.02927	2.1
298.04819	17.6
299.05432	3.2
315.42542	0.3
607.16656	26.1
608.16919	3.9
670.24237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02597	0.3
54.15483	0.4
55.01765	3.1
57.03324	2.6
58.00463	1.4
59.01251	36.7
61.98709	2.1
67.01765	0.7
69.03337	1.0
69.36584	2.8
71.01252	29.2
72.01579	0.5
72.99181	1.7
73.02824	9.3
75.00732	1.1
79.09617	0.4
81.03325	0.4
83.01256	6.3
84.01601	0.4
85.02822	15.8
87.00745	3.3
89.02319	8.9
92.19648	0.5
93.03355	3.0
95.01270	2.6
96.95919	0.6
97.02825	1.7
97.96397	0.4
99.00761	3.4
101.02325	23.5
102.02631	0.5
109.02825	0.6
111.00773	3.2
111.04395	0.4
113.01543	0.6
113.02332	11.0
114.02627	0.4
119.03398	2.6
119.04878	0.8
121.02838	0.4
125.02292	0.9
129.01862	1.0
130.04128	0.4
131.03404	0.7
132.02049	0.5
133.02850	7.8
134.03584	1.6
135.04410	7.4
137.02338	1.0
141.01814	0.7
143.03378	1.0
149.04482	1.6
159.02908	1.5
159.04321	0.5
161.02347	16.2
161.04369	4.4
162.02734	0.7
163.03886	1.2
172.05185	0.5
173.04445	2.1
173.05983	1.2
173.09595	0.4
174.06781	0.6
177.01883	0.7
178.02623	1.0
179.03409	8.7
179.05467	1.8
179.10799	0.4
181.04924	1.0
187.03882	0.6
187.07658	1.9
191.05544	4.5
195.06534	0.4
196.07349	1.3
196.09694	0.4
199.04066	0.5
200.04630	0.5
201.05542	2.0
201.09114	1.0
202.06151	1.4
203.07100	0.7
209.11594	0.4
211.09702	2.7
212.10397	0.4
215.07047	1.1
221.06580	0.7
229.08597	1.7
230.09430	5.2
231.10133	1.2
246.08998	0.4
257.08160	1.1
263.07614	0.6
293.10226	0.6
299.25772	0.6
311.07343	0.5
345.30099	2.7
346.53949	0.4
389.07413	0.5
405.19125	1.3
411.16446	0.4
491.28323	0.6
492.29681	0.5
493.29077	1.1
507.22342	0.7
507.35394	9.4
508.35748	1.3
521.33258	1.1
571.20319	0.6
572.20905	1.8
623.19769	1.0
646.77686	0.7
669.40625	100.0
670.27289	1.1
670.40906	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	669.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.5
57.03321	2.8
58.00466	1.5
59.01250	33.2
60.01578	1.1
60.99195	0.5
61.98701	1.9
69.03330	1.2
70.52701	1.8
71.01255	36.5
71.04927	0.4
72.01593	1.1
72.99184	2.8
73.02817	12.3
75.00745	1.4
78.95748	0.6
83.01255	7.1
85.02826	18.7
86.03145	1.1
87.00745	4.1
87.04390	0.5
88.98683	0.6
89.02322	12.6
93.03329	1.4
95.01254	3.6
96.95904	0.6
97.02827	1.8
99.00756	4.4
101.02326	30.3
102.02641	1.3
102.52962	0.6
106.01628	0.5
111.00764	3.9
113.02336	15.6
114.02631	0.6
117.03343	0.6
119.03391	3.6
121.02843	0.6
125.02326	1.2
129.01828	1.2
131.03381	0.6
132.02069	0.9
133.02847	12.0
134.03674	1.4
135.04425	9.5
136.04790	1.5
137.02322	0.6
139.00217	0.9
141.01865	1.1
143.03424	1.4
145.02870	0.7
145.06480	0.5
149.04468	1.1
150.06685	0.6
159.02910	1.4
159.04398	1.2
160.55211	0.5
161.02367	27.8
161.04405	7.6
161.05725	1.0
161.09563	0.7
162.02695	1.8
163.03922	0.7
165.01936	0.5
172.05295	1.3
173.04491	1.2
173.05992	1.5
174.03127	0.8
175.03886	0.6
177.01877	0.7
179.03430	10.4
179.05473	2.8
179.10736	0.6
180.03766	1.3
187.03963	1.5
187.07549	3.7
189.05484	0.7
191.05557	9.6
192.05872	2.0
193.06026	1.3
200.04712	1.3
201.05521	4.8
201.07217	1.0
201.09128	2.5
202.06290	1.6
203.03427	1.0
203.06882	1.1
209.11777	1.5
215.07104	1.3
221.06662	1.8
225.11320	0.7
229.08626	4.0
230.09427	10.2
231.09834	0.9
257.08212	0.9
263.07724	0.9
313.03641	0.8
314.03708	0.9
341.08786	1.2
345.30057	3.5
353.08749	1.0
354.09286	1.5
355.09293	0.8
411.16138	1.0
507.35208	8.4
508.35608	1.6
572.21191	3.9
573.21545	1.0
605.90228	0.7
623.19690	2.5
625.23077	1.1
632.58539	0.5
669.26965	3.1
669.40570	100.0
670.23743	1.2
670.41046	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01718	0.3
57.03306	0.5
58.00443	0.3
59.01251	6.8
61.98705	3.2
69.03332	1.4
70.62946	0.8
71.01253	5.1
71.04865	0.5
72.99166	0.7
73.02817	0.6
77.27116	0.3
80.02529	1.2
81.03348	1.3
83.01235	0.8
83.04895	4.9
84.02052	0.5
85.02811	1.2
85.06444	0.4
87.00723	0.7
89.02317	2.9
93.03318	0.7
93.70178	0.3
95.01281	0.4
95.04877	1.1
97.02796	0.3
97.06464	0.6
99.00748	0.4
101.02319	3.7
105.03293	0.3
109.06441	0.9
113.02338	2.2
119.03377	0.9
119.43049	0.3
121.02787	0.4
125.05956	0.5
125.09611	0.5
129.77383	0.3
131.03342	0.3
132.02078	0.6
133.01863	0.4
133.02844	8.6
134.03561	0.4
135.04404	4.5
135.08041	0.6
137.02327	0.5
145.04883	0.5
147.11659	0.3
149.06007	0.4
149.09587	0.5
160.01471	0.4
161.02347	21.1
161.04297	1.9
162.02673	1.2
163.11214	3.8
165.12735	1.9
167.10672	2.5
171.10196	2.2
173.05942	0.4
174.06816	0.4
175.03944	0.5
177.05504	0.7
178.02612	0.7
179.03423	6.4
179.05450	0.6
179.10654	1.1
179.14349	2.5
181.04913	0.6
181.12248	0.5
187.07571	0.6
189.05408	0.3
191.10696	0.4
195.13835	7.2
196.14221	0.6
197.11737	0.3
199.13210	0.3
200.04692	0.3
201.05490	1.2
201.09091	0.6
203.03412	2.4
205.12292	6.9
207.10185	0.7
209.11765	100.0
210.12112	5.7
221.04501	1.0
223.13342	74.6
224.13670	5.6
225.11319	0.5
227.12848	15.8
228.07851	0.6
228.13139	0.9
229.08604	1.1
230.09361	1.1
235.08177	3.0
253.09250	9.4
253.11909	0.5
261.14926	2.0
281.06641	1.4
323.07477	0.4
340.08084	0.8
341.08737	7.4
342.09253	1.0
397.23865	0.4
415.24973	0.8
433.26050	0.6
436.13318	0.4
441.21497	0.5
445.20914	1.2
446.21466	0.3
459.22369	6.3
460.22690	0.8
571.18164	0.6
572.18915	3.0
573.19708	0.8
633.32538	0.9
651.33258	1.1
669.25323	0.9
669.33655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3853
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03310	1.3
59.01249	5.5
59.51874	0.5
61.98694	2.9
71.01254	4.1
72.31748	0.5
73.02814	1.8
83.04877	0.5
85.02810	1.7
87.00745	1.0
87.39781	0.5
89.02326	3.1
95.04872	0.5
99.00735	0.5
99.04385	1.2
101.02313	2.9
109.02810	0.6
113.02323	2.3
113.06036	0.5
117.38197	0.5
119.03349	0.9
121.06533	0.6
123.04440	0.7
132.02066	1.0
133.02844	11.0
134.03343	0.6
135.04413	6.0
135.08072	1.0
136.05138	0.7
137.02289	0.5
149.04649	0.9
149.05972	7.2
150.06764	46.3
151.07182	2.0
153.09045	0.6
157.08582	0.6
158.59283	0.4
161.02348	26.3
161.04463	1.6
161.09636	0.6
162.02669	1.6
162.06743	0.9
163.03929	0.7
163.07535	9.5
163.11159	0.7
164.08315	6.3
171.10205	1.2
172.05186	0.8
173.06071	0.8
176.04716	0.8
176.08333	2.1
177.09091	0.8
178.02559	0.8
178.09929	3.2
179.03430	6.3
179.10695	14.9
180.11012	0.7
187.07524	2.1
189.05473	0.7
191.05475	1.1
193.08662	0.5
200.04723	0.8
201.05447	1.4
202.06200	0.6
203.03398	3.4
207.10205	1.9
209.11780	3.4
215.07011	1.0
225.05751	1.4
225.11275	1.2
229.08575	1.6
230.09367	3.3
231.10222	0.7
253.09248	0.6
255.06483	0.6
257.08136	2.0
279.23303	0.7
281.21390	0.9
323.07803	0.7
325.23651	0.9
327.21777	4.5
340.08008	1.3
341.08713	6.4
342.09134	1.2
351.27103	0.6
394.38202	0.6
428.29294	1.4
443.31674	0.7
446.30365	9.4
447.30701	2.6
460.31750	1.0
461.32709	11.2
462.32968	1.6
488.31534	1.8
489.31839	2.6
494.81107	0.5
506.32529	3.1
507.33237	26.0
508.33676	4.4
529.17426	0.6
571.17767	0.8
572.19427	3.7
573.19904	1.1
651.30237	1.5
669.38544	100.0
670.28290	1.0
670.38885	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	667.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45197	0.5
53.71249	0.6
55.01754	3.9
57.03303	2.0
58.00464	1.3
59.01250	43.7
60.01574	1.0
60.54476	0.5
60.99170	1.4
61.98688	2.0
67.01764	0.7
69.45075	0.6
70.99786	1.4
71.01254	39.4
72.99187	3.6
73.02815	9.7
75.00748	0.7
76.05494	0.6
78.16975	0.6
83.01254	6.3
83.04893	0.7
85.02822	20.3
85.25522	0.6
87.00743	4.1
88.98679	8.6
89.02319	19.0
93.03324	3.5
93.07014	0.8
95.01276	4.2
95.04863	0.7
97.02821	0.6
99.00190	0.6
99.00745	3.9
101.02325	28.9
105.03353	1.7
107.04882	1.1
109.02831	0.9
111.00758	2.4
111.04398	1.2
113.02330	14.2
119.03403	5.3
125.02339	1.0
127.03899	1.2
129.01837	0.8
131.03412	2.0
133.02850	11.4
134.03624	3.2
135.04414	35.0
136.04729	1.6
137.02382	1.0
143.03384	1.4
149.04465	3.3
155.03378	0.9
157.12267	0.6
159.02914	1.4
161.02390	4.8
161.04456	3.9
173.04459	3.9
177.01874	3.9
179.03413	31.2
179.05383	1.3
180.03775	1.7
182.03442	0.7
186.03035	0.6
187.07567	0.6
191.05533	63.2
192.05902	3.8
198.03166	1.0
209.11684	0.6
213.05443	0.7
214.02611	1.8
221.84470	0.6
226.02628	1.8
235.01576	0.6
242.02222	4.2
243.16177	0.8
254.02222	2.3
257.04590	1.9
268.03351	0.8
269.04568	1.4
270.01727	1.8
285.04080	2.3
313.03546	16.0
313.23907	0.8
314.04037	2.1
343.28452	1.3
351.07028	1.5
353.08774	39.3
354.09058	3.8
373.25897	4.3
374.26086	0.7
375.24048	1.2
428.95181	0.6
449.27322	0.8
487.32672	2.4
491.28531	2.3
505.34250	13.6
506.34100	1.4
519.31732	7.4
520.31989	1.2
607.36646	1.1
617.19366	0.6
625.38342	1.1
667.39111	100.0
668.39331	19.4
668.50153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90139	0.7
55.01743	3.7
57.03328	3.5
58.00455	2.2
59.01254	38.0
60.01550	0.6
60.17120	0.6
61.98712	3.5
69.03345	0.7
71.01254	38.3
71.50388	0.6
71.50781	0.7
72.01562	0.8
72.99162	3.3
73.02821	11.3
75.00732	1.9
81.03304	0.5
82.85557	0.6
83.01255	7.4
85.02826	20.5
86.03139	1.2
87.00763	4.0
88.98656	1.1
89.01781	0.8
89.02322	10.0
93.03333	1.9
95.01256	3.9
97.02815	0.8
99.00779	4.5
101.02323	25.8
102.02651	0.6
111.00777	4.3
113.02336	12.4
119.03407	4.1
125.02329	1.1
129.01837	0.9
131.03369	1.1
133.02843	1.8
134.03639	0.7
135.04414	11.1
136.04794	1.0
143.03400	0.9
149.04456	2.4
159.02888	2.0
159.04417	0.7
161.02390	3.5
161.04439	2.7
173.04457	1.3
179.03444	11.0
179.05470	1.2
187.07651	0.7
191.05548	24.0
192.05858	0.9
209.08130	1.8
214.54123	0.6
253.72420	0.6
257.04419	0.9
263.49100	0.6
269.21207	1.0
285.03928	0.8
287.22293	7.7
288.23004	0.6
297.24216	1.2
313.03513	2.8
343.28555	2.5
349.37350	0.7
353.08768	10.5
354.08981	0.9
357.26416	1.2
431.26395	3.7
449.27505	10.7
449.33276	0.8
450.28091	1.2
453.18289	0.6
491.17612	0.9
491.28607	15.9
492.28928	2.7
504.17603	0.9
505.33789	11.9
506.34106	1.1
517.14801	1.0
519.31824	4.9
520.31866	0.9
535.31085	0.8
623.32404	3.1
624.33130	1.1
667.39087	100.0
668.39343	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	667.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11304	0.2
53.58814	0.2
53.77850	0.2
55.01765	0.5
57.03323	3.4
59.01254	2.4
65.03821	0.9
69.03340	0.4
71.01237	0.3
71.49258	0.5
81.03342	0.3
83.04884	3.3
83.91344	0.3
85.02816	1.6
87.00751	3.8
89.02306	0.4
93.03328	1.0
95.01298	0.4
95.04905	1.2
96.82058	0.3
97.02815	0.3
99.04362	0.3
101.02328	0.3
107.04858	0.3
109.02836	0.4
109.06480	0.5
111.04413	2.1
111.08036	1.2
113.05925	0.4
119.08527	0.7
121.06477	1.8
123.04413	0.3
123.08047	10.3
124.05216	0.4
124.08338	0.3
129.06992	0.4
133.02856	0.5
133.06480	0.6
134.03624	0.3
135.04381	1.8
135.08073	0.5
137.05962	0.4
137.09634	1.2
138.06786	0.5
139.07555	1.6
142.56223	0.2
145.10066	1.3
149.04428	0.3
149.09566	0.3
151.07574	1.3
153.09120	1.3
161.02365	0.9
163.03926	0.4
163.11217	0.4
169.08646	0.5
169.10112	1.4
171.11705	10.7
172.12025	0.8
175.11156	0.6
179.03400	0.4
183.21555	0.2
185.09668	0.4
189.12798	4.2
191.05551	7.8
191.10654	0.3
193.04982	0.5
201.12759	3.6
207.13847	3.1
219.13881	1.4
237.14906	16.9
238.15265	1.1
242.39578	0.3
281.13931	100.0
282.14264	8.3
291.93979	0.3
293.56570	0.3
315.10834	0.3
322.09506	0.3
386.91373	0.3
475.12405	2.6
476.13028	0.5
488.72845	0.3
519.85449	0.3
667.18567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.03310	1.8
59.01249	27.2
59.14252	0.6
60.32844	0.7
61.98689	2.2
69.03323	2.1
69.38652	5.7
71.01253	21.8
72.99178	1.7
73.02821	5.8
75.00742	0.9
81.08770	0.6
83.01247	3.1
85.02827	8.6
87.00749	5.0
89.02322	7.4
93.03321	1.5
95.01265	1.7
97.02831	1.3
99.00766	1.9
101.01716	0.8
101.02332	9.4
109.02811	0.7
111.00800	1.2
112.01567	0.7
113.02335	5.8
119.03382	1.7
119.04903	1.2
124.01540	1.0
125.02298	1.7
131.03391	1.1
133.02853	1.0
134.03621	0.9
135.04381	1.5
137.24178	0.8
141.12769	0.9
141.24649	0.6
143.66255	0.7
149.02405	1.2
149.04427	6.0
153.81828	0.8
161.02330	1.4
163.03935	1.1
173.04469	0.9
179.03447	1.0
187.07593	1.1
191.05559	4.6
202.06194	1.2
231.10144	1.2
233.27707	0.7
269.21158	3.6
287.22278	29.0
288.22537	2.5
298.09940	0.8
299.22241	1.8
301.23523	0.9
357.26559	1.4
431.26404	11.8
432.26553	1.4
449.21252	1.9
449.27539	36.3
450.27795	4.5
453.17490	0.9
491.28610	100.0
492.28937	12.6
505.33960	2.7
519.31940	7.0
535.30933	1.2
562.57397	0.9
623.32745	19.4
624.33209	3.4
667.38538	14.6
668.38605	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	667.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42224	1.3
51.38909	1.3
56.83045	1.3
57.03323	2.1
58.96478	1.3
59.01252	20.6
61.98703	11.5
62.25483	1.4
62.53492	1.3
66.23936	1.3
69.03326	3.8
71.01252	14.2
71.04889	1.6
71.49556	1.2
73.02799	3.4
75.73566	1.2
78.95770	2.9
81.03330	2.7
83.04899	3.5
85.02827	3.6
87.00765	2.7
89.02309	5.1
92.02400	1.4
94.42679	1.7
95.04929	1.5
97.02840	10.2
97.06454	2.2
99.00759	3.1
101.02322	12.0
107.04884	2.1
109.06477	25.7
110.03684	1.8
113.02334	4.8
121.06462	2.1
123.04356	1.8
125.02307	2.3
125.09552	1.9
135.08044	6.0
136.05180	1.8
142.02637	3.6
145.04996	1.6
152.99379	1.5
161.04405	3.9
161.09618	2.4
163.11169	14.2
167.10680	4.4
171.10205	2.0
177.12816	1.7
179.10722	3.8
179.14336	4.3
181.12326	4.3
185.11697	3.5
191.05530	2.0
195.13835	15.7
205.12311	13.1
207.10201	74.2
208.08670	1.9
208.10556	4.6
209.11679	2.9
223.13345	100.0
224.13734	7.6
225.11275	40.4
226.11613	2.0
235.08199	6.2
253.09299	11.0
261.94440	1.4
263.13165	2.0
277.00964	1.5
351.23196	2.6
369.24371	1.9
377.21042	2.7
385.23849	3.9
395.22186	10.1
396.22711	2.3
403.24899	2.0
413.23361	17.6
414.23654	2.7
431.24271	6.7
443.19290	4.1
459.22379	8.4
461.20599	11.9
542.11676	1.6
621.32635	3.0
631.30884	4.9
649.32257	29.4
650.32489	6.5
667.33362	38.3
668.34332	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	665.1718
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
58.12204	0.4
59.01254	5.4
61.98677	0.6
65.00209	0.8
69.03345	0.4
71.01245	3.8
71.50930	0.5
72.99183	0.4
73.02825	1.4
74.68380	0.4
83.01270	0.8
85.02815	2.2
87.00731	0.5
88.96655	0.3
89.02314	3.0
91.50471	0.3
93.03346	1.3
97.02827	0.5
97.06466	0.4
99.00788	0.4
101.02341	2.3
104.48898	0.4
107.01276	0.3
109.02846	0.7
113.02277	1.8
117.79997	0.3
119.03413	1.2
121.02856	1.5
125.02331	0.6
126.95721	0.4
133.02881	1.0
135.04430	1.0
147.00829	0.5
149.04543	0.8
151.00305	1.1
161.02374	2.2
161.04424	0.5
163.03951	0.6
165.01877	4.3
171.04475	0.6
171.10223	0.9
173.04483	1.3
175.03920	1.0
179.03450	1.1
179.05585	0.5
183.04428	0.4
183.94418	0.4
187.03880	0.5
191.05556	2.6
192.05959	0.4
193.01346	2.7
194.01833	0.4
199.03949	2.5
201.01851	0.8
201.11301	1.4
203.03427	0.4
204.37254	0.4
215.03462	2.2
223.13362	1.7
226.02687	0.7
227.03467	3.1
228.03925	0.5
229.01390	0.6
241.05190	0.4
242.02257	0.6
243.02979	4.6
254.02229	0.5
255.02968	1.4
269.04547	2.0
270.01575	1.1
271.02478	59.2
272.02808	5.1
283.02390	0.5
285.04010	2.9
298.04700	0.4
299.01965	95.7
300.02332	9.8
313.03464	1.1
314.04318	100.0
315.04807	12.8
326.02994	0.5
353.23428	0.9
371.24469	1.2
397.13675	0.4
501.10263	0.6
503.11832	1.3
508.34558	0.4
517.30231	0.4
519.11133	0.6
533.29688	12.8
534.29828	0.9
623.16199	2.0
624.16669	0.5
665.17151	71.6
665.33331	2.7
666.17480	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	667.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69143	0.7
55.01741	1.2
57.03315	2.7
58.00445	1.0
59.01251	26.0
61.98690	1.2
69.03320	2.2
71.01253	19.5
71.50516	1.3
71.50883	0.9
72.01593	0.7
72.99196	1.3
73.02826	4.2
75.00735	1.5
82.12836	0.7
83.01241	2.5
85.02814	7.0
85.99984	1.2
87.00757	4.3
89.02317	6.2
93.03336	1.1
95.01263	1.8
99.00767	2.3
101.02325	8.0
103.31937	0.7
108.97044	0.6
111.00768	1.3
112.01535	0.9
113.02351	5.3
119.03368	1.9
124.01575	0.8
125.02321	1.1
131.03432	0.8
134.03535	0.7
135.04381	1.2
139.03938	1.0
141.12762	1.0
143.03369	1.3
149.02373	1.3
149.04448	4.6
161.02411	1.0
163.03955	1.1
173.04462	1.7
179.03456	1.0
191.05507	3.2
202.06212	0.7
225.05893	1.1
241.21710	0.8
269.21133	3.4
285.20447	1.1
287.22284	30.1
288.22531	2.7
299.22302	1.5
301.23849	1.0
329.23157	1.5
342.42267	0.7
357.26498	1.9
431.26459	10.8
432.26611	1.0
449.27551	34.4
450.27832	4.7
453.17514	0.8
491.28622	100.0
492.28967	12.8
497.70935	0.8
505.33707	2.2
519.31769	7.3
520.32330	0.9
535.31122	2.8
581.31519	1.0
623.32782	23.3
624.00507	0.8
624.33228	3.8
667.38605	14.2
668.38562	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	659.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29311	0.7
59.01251	100.0
61.98708	6.8
71.34567	0.6
78.95777	17.4
78.96225	1.1
83.50375	0.6
96.96815	1.7
127.04816	0.7
131.37082	0.6
148.26469	0.7
152.99495	9.4
163.11220	0.7
171.10123	1.2
207.10316	1.1
211.13435	0.8
225.11349	2.2
259.39398	0.7
279.23282	8.6
280.23676	1.3
290.87579	0.7
361.10605	1.8
379.11774	2.0
415.22577	1.6
433.23749	1.4
641.35150	1.8
653.44250	0.9
659.35834	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	661.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36633	2.1
58.23367	2.3
59.01251	55.6
61.14353	2.4
61.30310	2.4
61.98699	14.1
63.23429	2.6
69.13767	7.4
69.14187	22.7
71.01252	43.6
72.99174	4.6
78.95792	22.7
79.95615	7.4
80.96387	40.2
82.95957	3.1
83.01250	2.6
85.02845	9.8
87.00761	10.9
89.02314	37.5
94.97962	7.0
101.02317	22.9
113.02338	21.6
119.03379	18.0
121.39053	2.3
122.97489	2.9
123.91769	2.5
125.02352	2.9
131.03381	3.4
134.97473	2.7
143.03383	6.6
148.99081	3.0
152.98433	3.1
152.99509	10.5
154.24823	2.6
161.04442	7.8
164.98549	7.2
167.68237	2.5
176.71802	2.7
179.05545	20.2
191.72543	2.4
209.11705	4.0
225.00684	15.6
266.50232	2.7
277.21707	100.0
278.22012	10.1
299.04361	3.9
319.22720	5.0
323.09851	24.6
341.10901	43.1
342.11212	4.0
432.21698	2.5
577.26874	83.4
579.26929	20.5
601.32361	11.3
602.32391	5.7
661.35938	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	664.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20810	0.1
59.01236	0.7
61.98703	100.0
62.98410	0.2
63.94535	0.1
71.01258	0.2
71.49933	0.2
76.90822	0.1
78.95805	0.3
80.96444	0.2
85.67673	0.2
129.76784	0.1
133.02740	0.2
135.04482	0.2
152.42674	0.2
161.02368	0.4
179.03520	0.2
179.62891	0.1
191.05560	0.2
198.94824	0.2
277.21951	0.2
407.15265	0.2
416.16006	0.2
534.20313	0.2
534.71210	0.2
579.27679	0.6
628.21478	0.2
657.09662	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	659.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42323	1.1
59.01250	9.7
61.81790	0.9
61.98707	18.6
70.17918	4.5
71.01260	2.8
78.95779	100.0
79.95604	2.4
80.96398	9.2
83.04882	3.2
87.12891	1.0
94.97961	2.8
96.96844	7.0
125.02378	1.1
139.23523	1.0
150.97897	1.8
152.99498	58.5
153.99792	1.5
163.11194	3.0
164.98553	2.1
171.00543	4.7
195.13837	11.7
197.11829	1.4
209.09924	1.6
209.11795	28.7
210.12119	2.3
218.90440	0.8
225.00679	4.3
225.11172	1.2
227.12901	6.0
277.21735	8.9
283.73413	1.1
295.22809	37.1
296.23108	2.5
299.04419	2.0
363.12158	15.8
364.12457	1.9
381.13187	1.7
431.22034	23.5
432.22189	2.1
449.23090	9.1
577.26959	23.5
578.26758	5.1
659.35602	53.8
660.36206	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	659.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.0
61.98701	10.5
71.01260	2.1
71.49249	2.2
78.95777	100.0
79.95588	1.9
80.96387	13.5
81.03355	1.3
83.04894	3.8
86.13001	1.3
91.02440	1.0
91.04013	1.1
91.04688	1.3
91.75014	1.3
94.97984	2.5
96.96844	9.5
122.97501	2.2
134.98463	1.3
135.04503	1.6
143.08894	1.4
148.99113	1.4
152.99495	60.9
153.99817	2.0
161.02356	1.5
163.11169	2.3
164.98566	3.3
165.12724	1.8
168.15665	1.2
169.12169	1.4
171.00577	7.9
195.13847	5.7
209.11771	38.8
210.12149	3.1
224.52301	1.4
225.00667	4.2
227.12839	10.7
263.89551	1.5
277.21710	9.5
295.22821	21.6
296.23178	3.4
299.04456	1.5
363.12164	25.7
381.13156	5.3
431.22058	18.0
432.22449	3.0
449.23138	6.4
533.06348	1.3
577.26947	25.9
578.27142	4.8
619.84894	1.4
659.26483	2.3
659.35687	50.4
660.36023	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	659.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.0
61.98702	22.4
70.15064	1.9
71.01255	1.5
72.49413	0.4
78.95773	18.2
80.96404	0.8
96.96846	1.5
97.25156	0.5
107.06332	0.5
125.61985	0.4
139.85870	0.4
149.23692	0.4
152.99489	9.3
162.25015	0.4
163.11148	0.5
169.12309	0.7
171.00557	0.9
195.13905	1.1
197.11778	0.8
207.10139	0.6
209.11810	5.1
211.13408	1.2
227.12888	1.6
253.22041	0.5
277.21857	1.4
287.00443	0.5
293.21173	0.5
295.22787	5.5
296.23215	0.6
297.23483	0.5
363.12021	3.2
381.13052	0.5
431.21918	3.1
449.23160	1.0
577.27380	1.4
578.27533	0.5
635.11163	0.6
659.35449	6.6
660.36401	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	658.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.3
61.98719	2.4
68.37351	2.0
71.01276	4.4
71.04231	2.2
71.49491	4.1
87.00745	2.7
90.80133	2.2
93.03334	2.8
107.01244	2.8
111.00772	2.5
121.02882	3.2
123.00720	3.1
135.04468	2.5
139.00310	2.8
144.48944	2.1
149.04478	2.8
151.00267	11.3
161.02370	4.5
165.01868	3.9
178.99825	7.9
179.03358	2.8
191.05589	7.9
205.85674	2.3
225.07613	5.2
227.03560	2.4
231.02769	2.4
238.01091	2.5
243.02960	7.2
255.03038	19.6
259.02405	2.4
271.02463	40.0
272.02872	3.6
300.02737	69.0
301.03442	32.0
595.12994	100.0
596.13452	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	659.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01247	12.8
61.98695	5.8
63.05875	0.8
69.03318	1.5
70.63402	2.5
70.63749	1.0
71.01250	10.3
72.99177	1.2
73.02827	2.8
74.76196	0.9
78.95779	1.1
79.95604	4.3
80.96390	5.0
81.03318	2.5
83.01264	1.5
83.04892	4.9
84.02038	1.1
85.02809	4.5
87.00759	3.3
89.02322	6.4
93.03354	6.8
95.01301	1.0
95.04896	2.0
96.95868	1.6
97.06461	5.8
98.20477	0.9
101.02311	9.3
109.02827	1.2
111.04374	1.6
111.08045	1.4
113.02317	3.0
119.03345	1.3
125.02350	1.1
133.02824	1.2
133.10243	1.0
135.04413	1.4
137.02373	2.0
149.04523	2.3
151.11188	20.1
155.03516	1.2
155.06978	1.5
161.02383	2.6
161.04465	2.2
163.11218	3.3
164.98570	1.1
167.10713	0.9
169.12256	90.8
170.12567	5.6
171.10210	2.9
173.04468	11.1
173.05858	1.6
179.03398	3.4
179.05524	1.0
185.11751	1.6
187.07553	2.0
191.05527	19.6
191.10725	0.8
192.05876	1.4
195.10190	2.7
197.11777	2.6
199.13341	1.7
200.04726	1.9
201.05415	2.1
201.09120	1.6
203.07033	1.1
207.10130	1.7
209.11761	57.6
210.12132	4.6
211.13309	1.4
213.11243	15.9
214.11620	1.4
215.06946	1.6
225.00768	2.7
225.11292	2.1
227.12854	8.7
228.13107	1.2
229.08650	3.6
230.09344	2.0
231.69295	0.8
232.07312	1.4
235.08180	3.4
238.92570	0.9
243.84930	1.0
253.09264	5.5
254.09596	1.0
311.25629	0.9
313.69687	0.9
329.13770	1.0
344.16318	1.9
377.22711	1.0
379.24799	1.1
431.19174	3.3
441.22894	1.6
449.20209	12.7
450.20532	1.4
467.20670	2.1
471.15393	9.3
472.15640	1.5
485.21884	2.5
497.27466	1.1
580.13519	1.1
641.32294	2.7
659.32947	100.0
660.33398	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	653.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.0
61.98700	100.0
71.01263	0.7
71.49730	0.5
78.95782	1.1
81.68774	0.3
97.72387	0.3
109.06503	0.4
152.99422	0.3
161.02390	0.4
163.11122	0.4
171.10193	0.5
207.10251	1.2
209.11783	6.7
211.13411	0.4
223.13429	0.6
225.11285	0.9
227.12967	0.6
240.66855	0.3
291.19669	0.6
309.20700	1.4
371.38336	0.3
399.22070	0.4
410.95676	0.3
417.22791	0.5
459.54272	0.3
653.31757	1.3
654.31757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.00468	0.1
59.01250	3.0
59.96704	0.1
61.55021	0.1
61.98705	0.6
64.27996	0.1
69.03326	1.6
71.01249	2.2
71.04884	0.4
71.37453	0.3
72.99194	0.2
73.02817	0.4
73.95708	0.1
78.95776	0.1
80.02539	0.6
81.03336	0.6
83.01261	0.3
83.04893	2.7
84.02037	0.5
85.02818	0.6
87.00754	0.4
89.02311	1.3
93.03344	0.4
95.01266	0.2
95.04898	0.6
97.06473	0.3
101.02320	2.2
104.21263	0.2
109.06473	0.5
111.08035	0.6
113.02326	1.1
119.03383	0.5
123.82155	0.1
125.05956	0.4
133.02855	0.3
135.04434	0.9
135.08049	0.7
137.05962	0.1
137.09608	0.1
139.07497	0.2
143.03305	0.2
145.04962	0.3
147.11726	0.3
149.04457	0.2
153.09102	0.6
153.12837	0.1
161.02403	0.8
161.04492	0.8
163.11212	2.3
165.09074	0.4
165.12756	3.7
166.13120	0.2
171.10153	1.4
173.09573	0.3
179.03426	0.9
179.05505	0.2
181.12262	3.2
181.13760	0.3
191.05568	0.2
191.10706	5.3
192.11089	0.2
207.10176	0.3
209.11766	100.0
210.12109	6.4
211.13353	1.2
225.11223	0.5
227.12839	9.0
228.13206	0.6
229.08719	0.1
235.08160	2.2
237.79828	0.1
247.13374	1.4
248.13730	0.2
253.09274	6.5
254.09581	0.2
383.22162	0.2
387.61984	0.2
395.95050	0.1
401.23212	0.5
419.24570	0.2
427.19562	0.4
445.20770	4.4
446.21164	0.7
463.21680	0.1
619.31226	0.5
621.17627	0.2
637.32385	0.7
638.31891	0.2
655.32550	0.4
655.42194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03331	1.3
58.00473	1.7
59.01254	39.7
60.01589	0.5
61.98701	1.9
67.01755	0.3
68.99691	0.7
69.03329	2.2
71.01256	36.9
72.01591	0.5
72.99182	2.9
73.02822	5.8
75.00750	1.0
78.95779	0.5
81.03339	1.8
83.01264	4.1
83.04912	0.3
85.02827	7.9
85.99968	0.3
87.00755	8.9
87.04409	0.5
89.02319	32.7
90.02643	0.2
91.03899	0.7
93.03336	0.5
95.01280	2.7
97.02838	6.4
99.00740	2.2
99.04408	0.5
101.02326	28.2
102.02682	0.8
103.00268	0.4
103.03902	0.4
109.02826	0.6
111.00753	0.6
111.04446	1.1
113.02335	15.7
114.02636	0.3
115.03919	0.5
119.03397	9.3
121.02837	0.5
123.00729	0.4
123.04427	0.4
124.01540	0.5
125.02346	13.1
126.02642	0.5
127.03925	0.5
131.03391	1.7
133.04967	1.0
137.02275	0.3
139.03918	1.3
141.01836	0.7
143.03406	5.6
149.04471	1.0
151.03943	0.3
157.04904	0.4
161.04474	6.9
167.03413	0.9
169.05009	0.3
171.02939	0.3
179.03810	0.4
179.05534	6.2
180.05801	0.3
181.05003	0.2
185.04478	0.8
199.06059	0.4
203.05496	0.4
217.07147	1.0
219.05078	0.6
221.06598	2.7
235.08203	13.7
236.08549	0.8
245.06633	1.0
248.52151	0.2
250.99030	0.2
253.09262	3.8
255.23276	100.0
256.23618	9.0
259.08191	0.3
263.07715	1.3
269.24850	0.4
277.09305	1.0
287.07761	3.7
293.21259	0.3
305.08722	3.9
323.09836	1.9
361.11414	0.5
379.12473	1.0
397.13498	84.1
398.13843	8.3
415.14581	30.8
416.14850	3.2
551.29413	0.3
579.26361	0.4
653.26099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35542	0.3
52.79506	0.3
55.01707	0.8
57.03254	1.7
58.00415	0.6
59.01183	16.3
59.01514	1.7
59.35225	0.3
61.98631	2.5
61.98979	0.6
63.22427	0.3
67.66064	0.3
69.03270	0.6
71.01181	13.9
71.50768	0.5
71.92162	0.3
72.99170	1.8
73.02813	2.8
75.00701	0.6
80.01480	0.4
81.03226	0.4
82.19520	0.4
83.01170	1.4
85.02825	8.8
86.35870	0.3
87.00730	1.9
89.02320	6.7
93.03235	1.1
95.01260	3.0
96.95844	0.6
97.02738	0.5
99.00678	0.8
101.02327	6.1
111.00729	0.5
113.02324	13.7
114.02576	0.5
119.03286	1.6
119.04829	1.5
125.02249	0.8
125.09573	0.5
126.63358	0.4
131.03284	0.5
133.02753	1.3
134.03523	0.6
135.04315	1.6
137.02267	0.7
139.11093	1.6
141.12651	0.4
143.03365	0.8
145.02762	0.5
147.04260	0.5
149.04494	2.2
158.03526	0.7
159.04439	0.7
161.02357	3.1
161.04430	3.5
161.09688	0.4
163.03806	1.5
165.03856	0.7
165.08951	0.4
171.10164	0.5
172.05145	0.9
173.04341	1.2
173.05899	1.6
174.03073	0.8
174.06723	0.5
175.03821	0.6
175.07385	0.7
175.39668	0.3
179.03404	2.4
179.10535	0.8
181.12112	1.2
183.10081	1.5
186.06763	0.6
187.03810	1.1
187.07605	1.8
191.05533	5.6
192.05795	0.4
193.04863	0.5
197.90817	0.4
200.04695	0.8
201.03885	0.4
201.05504	5.0
201.09023	1.7
202.06113	1.3
203.06955	1.0
209.11661	1.3
225.11192	1.0
229.08681	5.6
230.09441	14.1
231.09828	1.8
243.12355	5.4
247.09688	1.4
270.12296	0.4
313.23859	3.0
341.26981	3.7
357.26810	0.4
358.26465	0.5
359.28018	21.5
360.28198	1.7
373.29404	0.4
375.16495	2.6
467.54678	0.4
503.32034	2.1
504.32379	0.8
507.21033	1.6
520.31824	0.4
521.33270	100.0
522.33606	15.0
555.20667	1.7
556.21729	1.5
573.20105	1.0
653.37610	35.2
654.25598	1.2
654.37799	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	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03316	1.2
58.00467	2.2
59.01251	43.3
60.01592	0.4
61.98701	2.3
67.01749	0.2
68.99686	0.4
69.03329	2.0
69.64928	1.1
71.01254	37.2
72.01589	0.7
72.99178	2.9
73.02819	6.6
75.00740	0.8
81.03323	1.4
83.01254	4.6
83.04877	0.3
83.93874	0.2
85.02821	9.1
85.99960	0.4
87.00748	9.5
87.04366	0.3
89.02316	32.7
90.02660	0.5
91.03897	0.9
93.03340	0.6
95.00710	0.3
95.01265	2.6
95.04887	0.2
97.02831	6.6
98.03193	0.2
99.00754	2.3
99.04398	0.6
101.02322	31.4
102.02657	0.8
103.00215	0.3
103.03901	0.5
109.02843	0.7
109.06471	0.3
111.00747	0.7
111.04405	1.2
112.01553	0.2
113.02331	14.9
114.02662	0.4
115.03903	0.7
119.03392	8.9
120.03719	0.3
121.02859	0.8
123.00758	0.4
123.04400	0.3
124.01537	0.5
125.02332	13.4
126.02653	0.3
127.03941	0.4
129.01843	0.3
131.03387	1.8
133.04956	1.1
137.02357	0.4
139.03879	1.0
141.01833	0.8
143.03392	6.0
145.02797	0.3
149.02350	0.4
149.04469	1.0
153.01820	0.5
155.03424	0.2
161.04456	6.3
162.04883	0.3
163.03923	0.3
167.03383	1.0
168.04156	0.3
169.04982	0.5
171.02888	0.3
177.01828	0.4
179.05537	6.1
180.05989	0.2
181.04916	0.2
182.79324	0.2
185.04477	0.6
192.04204	0.2
197.02878	0.2
199.06081	0.4
203.05490	0.4
207.06522	0.4
207.10303	0.3
209.11801	0.4
217.07118	1.4
219.05051	0.4
221.06583	2.2
225.11275	0.3
235.08186	14.1
236.08548	0.5
237.22263	0.3
245.06566	0.8
253.09290	3.8
255.23264	100.0
256.23618	9.5
263.07675	1.7
269.24716	0.6
277.09143	0.9
287.04684	0.3
287.07703	3.3
297.09268	0.2
305.08780	3.8
306.09244	0.2
323.09818	1.6
361.11301	0.4
379.12463	1.2
397.13474	79.2
398.13797	6.9
398.17923	0.2
415.14545	30.0
416.14877	2.7
545.68951	0.2
653.37817	0.2
683.81506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03321	3.8
58.00445	1.6
59.01253	29.3
61.98708	12.0
69.03344	8.1
71.01259	16.2
71.04900	2.2
71.05883	2.3
72.99180	1.8
73.02818	3.8
78.95789	2.0
81.03323	3.7
83.01257	2.8
83.04929	5.1
85.02830	7.8
87.00787	5.3
89.02329	10.5
93.03323	3.4
95.01264	1.9
95.04901	3.9
96.80965	1.2
97.02843	9.6
97.06463	2.5
99.00735	1.9
99.04356	1.1
100.90925	1.0
101.02320	15.3
109.06486	28.5
110.03639	1.5
110.06837	1.7
111.04411	1.5
111.08044	3.0
113.02337	14.6
117.03356	38.2
118.03681	2.2
119.03391	3.9
119.04918	28.6
121.02885	2.3
121.06454	1.9
122.61944	1.0
123.04453	1.8
123.56059	1.3
125.02345	1.8
125.05966	1.1
125.09602	5.0
131.03391	1.5
132.05739	1.1
133.02856	2.3
133.06453	3.2
135.04434	3.6
135.08055	4.9
136.05177	2.0
142.02655	1.7
145.02863	100.0
146.03149	6.5
147.11703	1.2
151.07550	2.0
153.09140	1.7
158.03557	2.5
159.04440	4.8
161.02336	3.1
161.04486	6.1
161.05989	8.5
161.09639	2.6
162.06796	1.4
163.03920	34.7
163.11200	19.8
164.11452	1.3
165.09015	2.2
165.12756	8.1
167.99268	1.2
171.10179	3.7
172.05209	2.6
173.04659	1.2
173.05969	7.6
173.09697	1.6
174.03149	1.9
174.06758	1.9
175.07532	1.9
177.05490	4.0
179.03452	2.9
179.05515	1.4
179.10677	3.5
181.12236	12.8
185.05975	2.6
185.11786	4.8
186.06738	1.7
187.03934	19.8
187.07578	10.0
187.09781	1.4
189.09119	2.2
191.05557	2.8
191.10695	11.6
199.07600	1.3
200.04715	3.3
201.05518	21.7
201.09138	4.7
202.06271	9.9
203.07079	4.3
205.05000	10.2
207.10208	86.2
208.10548	4.6
209.11778	91.0
210.12102	6.4
211.13441	2.6
215.07074	2.5
223.13423	1.5
225.11285	40.3
226.11652	2.6
228.07915	5.9
229.08694	16.9
230.09444	42.1
231.09900	5.1
235.06091	2.0
235.08200	8.1
249.11346	2.5
253.09297	11.0
263.13083	1.2
265.07120	7.9
267.08862	1.1
273.15094	1.2
285.15021	1.0
299.14944	1.9
307.08368	3.4
325.09283	28.4
326.09625	1.8
337.21851	2.2
355.18951	1.8
355.22769	2.9
363.19650	1.5
371.22348	4.5
381.20633	11.3
389.23413	3.4
399.21725	19.5
400.22107	3.0
409.14917	7.2
410.15482	1.4
417.22781	8.9
443.19254	6.2
445.20844	7.4
461.20261	14.2
504.31732	1.3
555.18762	8.0
556.19312	9.9
557.20074	2.5
559.74756	1.2
593.37347	1.3
607.31305	3.7
617.29706	4.9
635.30750	35.2
636.30865	6.6
653.31866	49.3
654.32483	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	653.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13789	1.0
50.46981	1.0
59.01236	3.7
61.98692	5.0
67.32288	1.2
70.70103	1.3
70.70448	3.3
78.95768	5.9
106.62320	1.1
136.67818	1.0
152.99463	2.7
223.13341	2.3
246.13120	1.1
249.81178	1.1
255.23161	3.3
267.96851	1.1
293.21222	3.5
403.15607	2.1
417.17136	2.9
418.18100	12.2
419.18274	1.5
431.18747	5.4
432.19641	14.5
433.20285	18.0
434.20508	2.4
445.20404	1.5
446.21725	1.6
447.22198	7.9
450.17181	1.8
461.19815	77.2
462.20154	10.1
475.21387	13.9
476.22162	5.7
479.45639	1.2
489.18958	1.4
491.20959	6.9
492.21786	2.1
493.22562	2.2
503.21054	2.1
507.23389	1.6
520.21124	36.1
521.21802	5.8
534.22729	4.3
535.23395	7.9
552.23779	22.9
553.24084	3.4
566.25287	9.0
567.26086	83.0
568.26483	10.7
621.26971	4.5
653.29803	100.0
654.30121	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	653.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00649	0.2
62.96243	0.4
70.61957	0.8
71.01246	0.2
78.95774	100.0
92.37454	0.3
96.96843	2.1
108.19984	0.3
109.06409	0.4
121.23924	0.2
134.98393	0.3
149.00000	4.6
152.99490	8.0
171.10178	2.6
179.01013	0.4
199.09686	0.8
201.11221	0.3
205.15910	2.1
207.10284	0.6
225.11244	0.8
255.23268	11.2
256.23688	0.8
261.13550	0.3
268.15460	0.3
277.21820	0.3
285.12628	3.7
286.13022	0.3
306.54468	0.3
322.39041	0.3
335.09122	0.3
355.16785	2.3
356.17578	0.3
361.10608	0.5
379.11496	0.4
385.17755	1.3
391.22653	1.9
409.23434	1.1
409.58591	0.3
417.12479	0.6
447.13388	5.7
448.13443	0.3
552.65918	0.3
563.33417	1.1
591.32819	0.8
617.34229	0.5
635.35590	0.8
653.30090	45.2
654.30389	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58667	0.4
59.01260	3.2
63.82607	0.6
69.49992	3.8
71.01252	4.7
75.66040	0.5
83.04913	0.6
85.02830	4.1
87.00743	0.6
89.02322	1.9
90.03900	0.5
93.03368	0.8
95.01274	1.0
105.03345	1.3
107.04923	0.5
109.02834	1.0
113.02339	7.7
114.79739	0.5
117.03362	0.8
118.40847	0.5
121.02840	0.7
123.04408	8.3
130.79018	0.5
132.02094	1.9
133.01385	0.6
133.02852	34.6
134.03593	2.1
135.04416	39.2
136.04741	1.8
137.02325	0.9
148.04883	0.6
149.02299	1.5
149.04465	0.5
149.06021	0.6
150.03142	7.4
151.00316	0.9
151.03918	18.4
157.84393	0.4
161.02353	100.0
162.02698	4.3
165.05431	0.6
178.02565	0.6
179.03419	55.7
180.03751	2.7
191.05505	1.4
193.05029	1.6
194.00829	0.8
195.06604	0.6
203.03496	0.9
219.08807	0.5
223.43045	0.5
233.04622	0.6
287.05692	0.7
323.07806	0.5
345.43292	0.5
459.15140	5.0
469.13440	0.7
487.14691	5.2
488.15308	0.6
501.33557	0.6
554.63074	0.5
621.18219	38.5
622.18713	6.9
653.20703	11.9
653.37128	0.7
654.20990	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	653.209
Annotation	Scroside D
Peak:m/z	Relative Intensity
51.10582	0.5
55.01746	0.5
59.01250	13.7
60.07712	0.6
63.05914	0.5
70.62605	0.8
70.62931	1.0
71.01249	9.7
71.01621	0.9
72.99210	1.0
73.02828	2.0
78.13598	0.5
83.01250	1.0
85.02819	5.2
87.00774	1.0
89.02313	10.8
89.02824	0.8
93.03376	0.7
94.84497	0.5
95.01269	1.8
99.00768	1.7
101.02319	6.8
109.02850	1.2
113.02329	9.6
115.01800	0.5
117.03359	1.7
117.38152	0.5
119.03392	3.4
120.40200	0.5
123.04418	2.1
131.03418	1.2
132.02068	8.9
133.02856	25.0
134.03645	9.0
135.04420	23.7
135.05452	1.1
136.04845	1.6
137.02338	1.1
139.04068	0.5
141.22231	0.5
143.03401	0.7
147.04395	0.9
149.02373	0.8
149.04465	4.1
149.05992	2.3
150.03142	2.4
152.77196	0.6
153.05444	0.7
160.01567	48.8
161.02350	77.4
162.02690	3.2
164.29350	0.5
165.04031	0.6
175.03925	65.2
176.04353	3.7
176.47221	0.6
176.48755	0.6
177.01823	1.3
178.02644	1.0
179.03424	7.5
180.03816	1.0
191.05516	3.2
191.07108	2.5
193.05006	5.2
207.06538	1.3
235.06108	4.4
271.02228	0.6
283.09741	0.6
295.08179	0.8
299.01984	1.6
311.09177	0.8
315.10791	4.7
337.09128	0.9
341.13907	1.0
359.20938	0.6
461.04984	0.6
491.15598	100.0
492.15958	13.6
653.20697	27.0
654.20898	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	653.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.6
58.19621	0.3
59.01254	3.8
61.98701	1.9
63.02274	0.7
65.00195	0.6
69.03346	0.3
71.01251	3.5
71.08064	0.7
72.99176	0.5
73.02808	1.0
79.48685	0.2
81.26672	0.2
83.01244	0.5
85.02823	2.9
87.00754	0.6
89.02328	1.9
93.03333	1.2
95.01250	0.9
96.95862	0.5
97.02838	0.6
97.06496	0.3
99.00750	0.3
101.02325	1.9
106.08031	0.2
107.01257	1.3
109.02843	1.2
113.02326	3.8
116.92737	0.4
119.03390	0.5
125.02348	0.4
133.02850	3.0
134.03590	0.4
135.00793	0.3
135.04408	2.3
137.02306	0.7
143.03482	0.3
143.04863	0.5
145.02885	0.4
147.00769	0.4
149.02359	0.3
149.04469	0.8
151.00246	1.5
155.04904	0.4
157.02859	0.3
161.02359	0.9
161.04489	0.9
171.04396	1.7
173.02382	0.4
173.04456	1.2
173.05876	0.4
174.02983	0.3
175.03946	1.4
177.01823	0.8
178.99869	0.4
179.03369	1.8
179.10683	1.1
183.04478	0.4
187.03940	1.3
187.07497	0.4
190.02522	0.4
191.03761	0.4
191.05540	7.8
192.05881	0.4
197.02344	0.3
197.11823	0.5
198.03090	0.4
199.03940	6.1
200.04388	0.6
201.01936	2.2
201.05457	0.9
201.09193	0.5
203.03407	0.5
205.05081	0.5
215.03447	2.3
216.03973	0.3
223.06114	0.5
223.09747	1.4
225.01765	0.4
226.02667	0.9
227.03412	3.3
228.03908	0.3
229.08594	1.1
230.09470	2.5
231.10306	0.3
242.02126	1.0
243.02957	4.6
244.03319	0.3
255.02982	1.2
271.02469	43.1
272.02774	3.4
298.12042	0.3
299.01962	100.0
300.02359	9.8
301.03302	0.4
325.09195	0.3
327.16068	0.5
343.11044	0.4
351.07300	0.8
353.08942	1.8
380.08926	0.3
397.13211	0.7
415.14380	0.3
447.22424	1.5
491.28619	0.4
522.18787	0.4
535.30664	0.4
578.79376	0.3
611.32593	0.4
621.23981	1.3
635.26312	0.3
653.27704	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	653.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40575	0.4
55.59354	0.3
59.01241	0.8
62.95447	0.4
63.02269	0.6
65.00199	0.8
69.54572	1.4
69.54996	1.2
71.01259	0.8
83.01218	0.4
85.02822	0.9
85.47209	0.4
87.00764	0.4
87.02819	0.4
89.02323	0.7
89.57886	0.4
93.03342	0.6
98.20569	0.7
107.01290	1.0
109.02844	1.3
113.02352	1.2
115.05452	0.4
133.02872	2.7
135.00795	0.7
135.04401	0.8
143.04965	0.8
145.02916	0.5
149.04434	0.4
151.00269	1.3
153.01839	0.6
155.04840	0.5
157.02855	0.7
159.04445	0.5
161.02316	0.7
171.04437	2.0
172.04863	0.4
173.02379	0.5
173.04425	0.9
175.03938	1.6
183.04411	0.5
187.03897	1.3
189.05466	0.4
191.05536	3.2
198.03220	1.0
199.03955	6.0
200.04266	0.7
201.01871	2.1
203.03470	0.4
214.02637	0.4
215.03510	3.2
216.03624	0.3
216.54362	0.4
226.02679	1.4
227.03442	2.8
230.09407	0.6
242.02203	1.1
243.02992	3.6
255.02977	1.3
271.02481	43.9
272.02838	3.0
282.01578	0.5
299.01971	100.0
300.02328	7.9
301.03348	0.5
351.07190	0.6
467.99271	0.4
653.28015	0.7
662.34717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
61.98699	0.7
63.02288	0.7
64.99921	0.5
65.00233	0.8
69.19076	3.0
70.66327	0.3
71.01250	1.4
73.02822	0.7
83.01275	0.6
83.25465	0.2
85.02816	1.3
87.00777	0.4
88.98695	0.7
89.02354	0.8
89.55579	0.2
93.03337	0.8
96.95876	0.5
101.02341	0.8
105.03378	0.8
107.01291	1.1
109.02832	1.3
111.04443	0.3
113.02336	1.2
116.92745	0.4
127.03874	0.3
129.01793	0.3
133.02855	5.1
134.03624	0.5
135.00851	0.3
135.04433	3.3
137.02419	0.3
143.04929	1.2
145.02887	0.3
147.00790	0.4
147.04420	0.3
149.02365	0.3
149.04466	0.9
151.00270	1.8
153.01859	0.3
155.04909	0.3
157.02853	0.7
159.04466	0.4
160.01489	0.3
161.02400	1.3
163.03955	0.4
166.02702	0.3
171.04437	2.9
173.02359	0.5
173.04449	0.5
175.03891	1.9
177.01828	1.7
178.99936	0.3
179.03435	2.1
183.04495	0.3
187.03928	1.3
189.05421	0.3
191.05545	5.9
197.02377	0.5
198.03088	0.7
199.03937	6.4
200.04292	0.5
201.01875	2.2
203.03444	0.4
213.01851	0.4
215.03441	3.1
225.01735	0.3
226.02681	1.1
227.03455	3.1
242.02214	0.7
243.02968	4.6
244.03360	0.5
255.02985	0.9
258.09256	0.3
271.02478	44.8
272.02795	3.4
299.01956	100.0
300.02386	9.6
301.03159	0.4
315.10922	0.4
343.21240	0.3
351.07248	0.6
353.08701	2.2
644.59747	0.3
653.29175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81842	0.2
56.90405	0.2
59.01254	1.0
61.98706	0.4
62.70218	0.2
63.02274	0.8
65.00211	0.8
69.71609	1.3
71.01244	1.2
72.82886	0.2
72.85912	0.2
83.01261	0.6
85.02840	1.1
89.02297	0.8
93.03343	0.6
93.26728	0.2
95.01279	0.4
95.66403	0.2
101.02307	0.5
107.01239	1.1
109.02813	1.2
113.02341	1.3
133.02849	3.5
135.04414	2.3
143.04901	0.6
145.02850	0.3
146.23105	0.2
147.00819	0.4
149.02333	0.2
151.00287	1.5
155.04887	0.6
157.02834	0.8
159.04364	0.4
161.02328	1.3
161.04477	0.4
161.06058	0.2
169.01334	0.4
171.04425	2.5
173.02321	0.5
173.04474	0.3
175.03941	1.0
177.01826	0.7
179.03398	1.3
182.03613	0.2
183.04463	0.6
184.76575	0.2
187.03909	1.1
191.05539	3.6
197.02299	0.8
198.03136	0.7
199.02155	0.4
199.03926	5.3
200.04329	0.6
201.01888	1.9
202.94398	0.2
203.03401	0.6
213.01903	0.2
214.02727	0.2
215.03418	2.8
225.01900	0.2
226.02603	1.0
227.03415	2.8
229.08746	0.3
230.09355	0.5
242.02101	0.6
243.02966	3.6
255.02908	0.8
270.12439	0.2
271.02469	42.8
272.02802	3.4
282.01572	0.3
299.01953	100.0
300.02307	8.0
301.03516	0.2
327.15982	0.3
351.07254	0.2
353.08707	1.9
398.70743	0.2
451.38602	0.2
531.97510	0.2
621.75262	0.2
653.28070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96562	0.5
57.03248	1.5
59.01167	9.9
59.01498	1.6
61.98611	1.9
69.03255	0.8
70.81457	0.5
71.01165	8.8
71.01591	0.8
71.51047	0.6
72.99090	1.5
73.02731	2.0
83.01170	1.7
85.02729	3.8
87.00655	1.6
89.02216	4.6
95.01176	1.0
95.76672	0.6
99.00648	0.8
101.02217	6.2
111.04283	0.7
113.02333	3.0
116.92625	0.7
117.53649	0.5
119.03279	1.4
125.09535	1.2
135.04286	1.5
137.02269	0.5
149.04326	2.1
161.02264	1.1
171.10126	0.9
173.04485	0.9
179.03375	1.1
185.11693	0.9
187.07542	0.5
191.05556	4.6
201.05342	0.6
209.11702	0.9
229.08559	0.6
229.24059	0.5
253.09062	0.7
299.16400	0.8
308.32959	0.6
311.22211	0.9
323.26059	0.6
327.25479	5.1
328.25574	0.6
339.25433	5.9
340.25784	0.6
341.26889	4.2
350.75766	0.7
357.26468	23.9
358.26813	2.8
423.98843	0.6
463.30212	0.5
501.30566	1.8
519.31757	100.0
520.32092	13.1
651.36096	30.2
652.36237	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	651.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.0
57.03273	1.4
58.00432	1.2
59.01249	19.7
61.98701	2.7
69.03278	0.5
70.29661	0.5
70.37222	0.5
70.37572	2.0
71.01252	13.8
71.04846	0.8
72.99128	1.7
73.02824	3.7
78.95763	0.7
83.01250	2.4
85.02827	6.6
87.00682	1.4
89.02309	6.5
93.03273	1.5
95.01213	1.7
97.02825	0.6
99.00693	1.0
99.04342	0.5
101.02322	8.4
111.00737	0.8
113.02328	4.7
119.03319	1.7
131.03282	0.5
133.60048	0.5
133.78273	0.5
135.04370	0.9
147.04434	0.5
149.04489	2.4
149.94096	0.5
152.99348	0.5
159.85966	0.5
161.02290	0.7
161.04427	0.6
171.10193	2.4
173.04457	0.9
173.05840	0.5
176.25240	0.5
178.02457	0.5
179.03319	0.6
181.12111	1.0
185.11707	0.9
191.05539	3.5
209.11597	0.9
225.11237	0.6
229.08649	0.8
309.24240	1.4
321.24435	0.6
327.25363	5.9
339.25357	10.0
340.25626	0.8
341.27145	0.6
357.26416	19.2
358.26700	2.3
406.99600	0.5
501.30627	1.6
519.31732	100.0
520.32062	12.9
554.21277	0.6
648.33606	0.5
651.36133	29.9
652.36597	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	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03316	1.3
58.00466	1.5
59.01250	38.1
61.98703	2.3
68.99655	0.4
69.03331	1.7
71.01254	33.7
72.99174	2.7
73.02822	6.1
78.95746	0.4
81.03344	1.4
81.73064	0.3
83.01257	4.3
85.02822	6.8
85.99969	0.4
87.00748	8.0
89.02316	28.4
90.02663	0.4
91.03872	0.5
91.29004	0.3
95.01257	2.7
97.02820	5.9
99.00768	2.2
99.04379	0.4
101.02322	27.9
109.02828	0.7
111.00781	0.7
111.04385	0.8
113.02330	12.2
114.02657	0.3
115.03901	0.8
116.10424	0.3
119.03391	9.6
121.02870	0.8
123.04475	0.5
125.02338	12.8
131.03433	1.5
133.04953	0.7
137.02255	0.4
139.03903	1.1
141.01793	0.7
143.03418	4.4
149.04431	0.9
152.99533	0.4
161.04449	6.3
167.03409	0.7
169.04897	0.7
177.09241	0.3
179.05528	6.4
185.04501	0.3
199.06021	0.5
203.05516	0.5
209.11823	0.5
217.07175	1.0
221.06606	2.5
224.61607	0.3
233.11742	0.3
235.08182	13.1
236.08630	0.7
245.06660	0.9
253.09338	2.7
253.21701	100.0
254.22035	7.5
262.68158	0.3
263.07761	1.7
267.23318	0.9
277.09222	1.1
287.07745	3.2
305.08786	3.8
306.09079	0.4
323.09845	2.1
356.35956	0.3
358.88065	0.4
361.11276	0.5
379.12396	1.2
397.13477	79.4
398.13837	7.0
415.14566	31.1
416.14990	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	651.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.8
57.03360	1.0
58.00262	0.4
58.00464	1.7
59.00969	1.2
59.01255	35.8
61.98706	7.4
69.03329	2.4
71.00883	1.2
71.01258	32.4
71.49983	0.6
71.57353	0.4
72.99180	3.0
73.02831	4.7
75.00784	0.6
78.95824	0.6
81.03397	1.2
83.01264	3.2
85.02348	0.9
85.02827	6.6
86.00021	0.5
87.00756	6.5
89.02322	30.4
90.02712	0.6
91.03947	0.6
93.03400	0.6
95.01288	2.0
97.02845	4.1
99.00793	2.0
99.04468	0.6
99.23677	0.4
101.02328	24.8
102.02736	0.8
109.02880	0.4
111.04465	0.8
113.02338	12.2
114.02661	0.4
115.03947	0.6
115.82568	0.3
119.03400	10.1
121.02983	0.4
125.02345	7.7
131.03465	1.5
133.04985	0.5
135.04535	0.5
136.87560	0.4
137.02422	1.6
139.03972	0.9
143.03395	4.5
146.42917	0.4
149.04549	1.0
161.04477	4.6
167.03423	0.5
175.77393	0.4
179.05548	8.5
185.04530	0.7
209.11824	1.4
217.07253	0.6
221.06578	2.3
235.08192	7.7
239.60616	0.3
241.85437	0.4
245.06757	0.7
253.09300	3.0
253.21713	28.4
254.22186	2.1
263.07721	1.8
277.09293	0.4
287.07779	1.1
305.08832	1.4
323.09766	0.9
379.12524	0.7
397.13501	37.8
398.13797	3.1
415.14578	100.0
416.14954	8.3
489.15543	1.4
491.17343	1.2
505.18698	0.9
591.22571	1.9
592.22961	0.6
651.24463	12.7
652.24731	2.7
682.64001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96562	0.5
57.03248	1.5
59.01167	9.9
59.01498	1.6
61.98611	1.9
69.03255	0.8
70.81457	0.5
71.01165	8.8
71.01591	0.8
71.51047	0.6
72.99090	1.5
73.02731	2.0
83.01170	1.7
85.02729	3.8
87.00655	1.6
89.02216	4.6
95.01176	1.0
95.76672	0.6
99.00648	0.8
101.02217	6.2
111.04283	0.7
113.02333	3.0
116.92625	0.7
117.53649	0.5
119.03279	1.4
125.09535	1.2
135.04286	1.5
137.02269	0.5
149.04326	2.1
161.02264	1.1
171.10126	0.9
173.04485	0.9
179.03375	1.1
185.11693	0.9
187.07542	0.5
191.05556	4.6
201.05342	0.6
209.11702	0.9
229.08559	0.6
229.24059	0.5
253.09062	0.7
299.16400	0.8
308.32959	0.6
311.22211	0.9
323.26059	0.6
327.25479	5.1
328.25574	0.6
339.25433	5.9
340.25784	0.6
341.26889	4.2
350.75766	0.7
357.26468	23.9
358.26813	2.8
423.98843	0.6
463.30212	0.5
501.30566	1.8
519.31757	100.0
520.32092	13.1
651.36096	30.2
652.36237	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	651.2295
Annotation	Isomartynoside
Peak:m/z	Relative Intensity
52.48370	0.4
57.03341	0.7
59.01255	8.0
61.98704	0.5
69.53663	2.0
69.54084	0.7
71.01257	6.7
73.02830	1.2
75.00758	0.5
79.87793	0.4
83.01264	0.6
85.02819	6.2
87.00770	0.5
89.02310	3.8
95.01293	1.8
98.19898	0.6
101.02334	2.1
107.01358	0.3
109.02834	0.4
109.43153	0.4
113.02334	9.9
117.01833	0.9
117.03363	1.4
119.03401	0.8
121.02866	0.6
125.02207	0.4
132.02071	18.9
133.02934	0.4
134.03635	16.3
135.04407	0.6
137.06024	0.5
143.03360	0.4
149.02403	0.4
149.04440	1.1
149.05971	1.9
152.04726	1.1
160.01572	68.2
161.01906	3.3
161.04375	0.8
165.03915	0.6
167.07050	2.0
175.03925	100.0
176.04259	4.1
178.02602	0.5
179.03378	1.2
191.05519	0.6
193.04991	11.3
194.05431	0.9
204.73740	0.4
207.04961	0.5
329.12506	1.0
457.17194	0.6
475.18332	4.9
476.18155	0.5
505.17435	0.7
651.22919	22.9
652.23236	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	651.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45480	0.3
54.27597	0.3
57.03320	0.6
57.20375	0.4
59.01251	10.3
64.50249	0.4
69.03324	0.3
71.01254	8.5
73.02824	1.2
75.00762	0.5
75.65524	0.4
83.01263	0.7
83.04909	0.4
85.02825	6.2
85.03299	0.5
87.00748	1.0
88.98696	0.6
89.02311	4.7
89.03835	0.5
93.03331	1.0
95.01270	1.8
96.61027	0.4
96.95895	0.7
97.02841	0.4
99.00746	0.6
101.02316	2.7
103.03934	0.4
113.01537	0.6
113.02324	11.4
117.01825	1.7
117.03372	1.3
119.03369	1.2
119.04905	0.4
121.02846	0.8
122.03609	0.4
125.02359	0.5
128.03432	0.9
129.01822	0.4
132.02069	15.9
133.02826	1.3
134.03632	16.6
135.04428	3.7
137.02394	0.7
137.05975	0.6
139.03787	0.4
143.03433	0.7
143.04475	0.4
145.93964	0.4
149.02368	0.4
149.04463	1.2
149.05963	2.5
152.04692	1.7
155.54294	0.4
160.01575	59.3
161.02127	4.4
161.04456	1.1
165.01936	0.8
165.03960	1.0
167.07072	2.8
173.04504	0.9
175.03925	100.0
176.04250	5.4
178.02615	0.9
179.03403	5.4
188.94150	0.4
191.05553	2.3
193.04997	12.2
194.05334	0.7
207.05020	1.6
254.07817	0.4
271.02563	0.5
299.01743	0.8
306.07556	1.1
329.12378	1.0
390.69281	0.5
457.17297	0.5
475.18298	5.6
505.17355	0.6
651.22906	22.5
652.23236	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	651.194
Annotation	Aeschynanthoside D
Peak:m/z	Relative Intensity
51.07438	0.7
51.16716	0.7
52.88057	0.8
55.01760	0.7
57.03319	2.7
57.19864	0.6
57.49199	0.8
59.01253	9.0
61.98700	0.9
67.01759	1.0
70.78959	2.0
71.01254	18.4
72.99157	1.0
73.02811	2.7
75.00698	1.0
82.27808	0.8
83.01239	1.0
85.02825	17.1
86.97082	0.7
87.00761	2.1
89.02322	7.1
93.03338	2.9
95.01273	7.2
96.95882	1.3
101.02350	2.6
105.00191	0.8
107.04927	1.2
109.02798	0.8
113.02337	33.8
119.03378	1.2
119.04943	2.5
121.02847	1.2
122.06006	0.7
123.04401	1.1
125.02354	1.2
132.02065	2.4
133.02861	29.7
134.03683	3.7
135.04425	42.2
136.04747	1.7
137.02335	0.9
143.03328	0.8
149.04489	7.1
151.00362	0.7
151.03880	1.8
161.02364	59.3
161.04517	2.6
162.02710	2.7
162.05536	2.2
163.03925	40.6
164.04317	1.7
179.03419	20.5
180.03816	1.5
181.05009	3.8
191.05540	10.7
255.02982	1.0
271.02551	1.2
271.10892	1.7
283.09882	0.8
301.11838	3.3
313.11847	0.9
339.08627	1.1
343.10312	0.9
381.13452	1.1
451.77554	0.7
464.18420	1.2
482.19299	2.9
489.16159	26.1
490.16403	1.9
519.13922	1.1
591.24847	1.2
633.25433	1.4
651.19220	100.0
652.19647	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	651.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	6.9
59.01255	82.2
59.63610	5.5
61.98711	32.7
69.32048	11.3
69.32462	34.9
71.01265	42.2
73.02821	16.2
75.00758	9.3
85.02824	12.7
87.00769	11.0
88.98653	6.3
89.02317	26.2
93.03334	16.6
96.95871	9.1
99.00757	6.0
101.02338	18.2
107.04855	8.1
108.02068	17.0
113.02324	19.2
119.03407	11.0
121.02823	25.5
123.04411	17.9
125.09631	10.4
133.02837	7.9
135.02885	11.7
135.04410	10.9
143.03522	5.7
149.04448	32.5
151.03928	15.7
161.02348	18.7
165.04091	5.2
165.05550	5.4
173.04460	6.0
173.05933	5.5
179.03447	7.5
187.09734	11.6
191.05528	45.8
209.08185	5.9
225.05481	10.7
242.03978	6.5
248.81163	6.1
257.08194	100.0
258.08331	5.8
271.02249	6.9
283.02509	12.9
283.13330	6.3
284.02841	9.8
285.03052	6.3
298.04837	10.7
299.02087	10.2
299.05176	9.4
300.05322	11.0
314.04361	11.7
385.39438	5.5
519.18964	6.2
519.31757	47.5
565.19318	15.7
607.29303	7.0
633.30890	8.7
649.67926	6.3
651.17798	21.4
651.35358	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	649.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33726	0.5
61.98669	0.8
78.95772	82.2
83.04893	2.1
96.96840	7.4
98.19682	1.0
139.43739	0.6
150.97942	1.5
152.99484	100.0
153.99841	1.1
163.11197	1.9
165.12709	0.7
171.00577	2.7
191.10628	0.8
195.17447	0.5
209.11766	23.6
210.11981	1.0
212.84125	0.5
225.11359	1.4
225.67952	0.6
227.12793	3.0
229.13414	0.7
253.21690	1.8
255.23233	2.7
363.12109	8.6
381.13165	46.5
382.13541	4.0
389.20834	1.0
395.14771	8.5
413.15808	30.1
414.16263	2.3
548.79834	0.6
617.34607	8.5
618.35114	2.0
649.37067	5.6
650.37292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61208	0.2
59.01250	2.0
61.29994	0.2
61.98696	0.6
71.01263	1.3
71.49888	0.3
72.99206	0.2
73.02827	0.4
75.00736	0.2
75.40061	0.2
77.48099	0.2
78.32233	0.2
83.01250	0.2
84.02042	0.2
85.02805	1.2
87.00739	0.3
89.02322	0.7
93.03337	1.1
95.01274	0.3
96.95885	0.7
101.02320	0.8
107.61638	0.2
108.02077	0.7
109.02826	0.5
111.00738	0.2
111.04424	0.2
113.02325	0.6
117.01819	0.4
121.01983	0.3
121.02834	4.0
122.03629	2.2
123.00751	0.5
123.04389	0.4
124.01559	0.4
125.02348	0.2
125.35963	0.2
131.03395	0.3
133.02869	0.3
134.03595	1.0
135.04425	1.0
136.01561	55.2
137.02248	2.2
138.03064	0.3
145.02869	0.7
145.06407	0.2
149.02319	0.3
149.04477	1.7
149.05940	0.5
150.03139	1.1
151.03914	89.2
152.04224	3.1
152.05183	0.2
154.02605	0.5
159.04393	0.7
160.05208	0.9
161.02361	1.1
161.05913	0.3
161.09683	0.3
162.03102	0.7
163.03932	1.1
164.04424	0.2
165.01831	1.1
165.04031	0.3
165.05482	0.8
173.04456	0.7
175.03902	0.6
175.07610	1.3
176.04662	0.3
177.05521	0.8
179.03424	1.4
179.10715	0.8
180.04222	0.8
182.02260	0.3
186.87746	0.2
187.03873	0.2
187.07564	1.0
188.04642	0.3
189.05447	0.3
191.05521	3.3
191.07127	0.3
195.06544	2.5
197.04472	0.3
202.06233	0.4
203.07060	0.3
212.06862	0.5
215.07095	0.3
223.09662	0.3
225.07574	0.5
227.09189	0.6
231.10298	0.6
256.07306	0.4
275.09250	0.6
296.10611	0.2
311.12891	0.7
342.11066	5.0
343.11673	0.3
355.13965	0.5
357.13422	100.0
358.13748	10.7
409.34955	0.3
449.14664	0.5
487.18124	0.8
503.19241	0.7
649.22437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.1
59.01249	6.2
59.52697	0.7
61.98693	1.0
64.75997	0.7
71.01254	8.3
71.50452	1.4
72.99172	1.3
73.02810	4.6
73.66470	0.7
74.35528	0.6
83.01244	0.8
84.10233	0.7
85.02819	2.9
87.00746	2.4
89.02319	15.8
93.03329	1.9
96.95906	2.6
99.04406	1.2
101.02311	2.9
103.76674	0.7
104.81336	0.7
113.02333	2.2
116.35674	0.9
117.01826	1.1
119.03336	0.8
121.02876	0.9
122.55702	0.8
125.02345	1.7
126.90224	0.8
131.03398	5.5
133.02893	1.1
133.10155	1.0
134.03578	0.9
135.04425	6.6
135.11697	8.5
137.02368	1.3
145.02907	1.1
149.02434	2.0
149.04463	55.1
149.31026	0.7
150.03146	3.6
150.04779	1.5
155.98198	0.7
159.02811	0.7
159.07921	0.7
161.02353	1.8
161.05969	0.7
161.09634	4.6
163.03957	1.0
165.01859	1.4
165.05392	1.4
173.04466	3.0
179.03462	7.8
179.10692	37.1
180.04094	1.5
180.11052	2.2
181.05023	1.3
191.05544	10.0
195.06587	4.3
223.09689	10.0
224.09763	0.9
227.05496	1.0
243.11470	1.0
251.07083	2.5
257.10416	1.0
263.74454	0.9
296.06931	4.4
297.07779	2.0
303.13397	1.4
355.13965	22.2
356.14240	1.9
449.14697	1.1
469.17151	0.9
487.18195	100.0
488.18494	12.7
517.19336	5.3
649.23669	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	643.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	0.9
61.98708	1.0
69.45905	0.3
70.98801	0.3
71.01260	0.5
71.49281	0.3
71.49712	0.5
78.95789	1.0
90.14241	0.3
93.03348	0.8
94.13339	0.3
95.20672	0.4
114.69486	0.3
123.08038	0.3
129.73654	0.3
135.04501	0.3
171.10187	0.8
173.04628	0.4
182.72182	0.3
191.05576	0.5
197.11816	1.2
207.10263	0.4
209.11844	1.0
225.11330	0.5
343.24850	0.5
643.27429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56242	0.2
59.01251	100.0
60.01590	0.9
60.57553	0.2
61.98704	0.6
70.20374	0.2
70.23989	0.5
70.24371	0.6
78.95762	0.4
84.79202	0.2
133.92290	0.2
152.99480	0.3
186.67351	0.2
415.00562	0.3
428.65512	0.2
456.57797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75367	0.4
56.67863	0.4
57.95226	0.3
59.01251	100.0
60.01583	1.3
61.98701	0.8
71.05032	0.9
77.03217	0.3
77.86414	0.4
78.20332	0.3
78.95794	1.2
84.16621	0.3
90.92089	0.3
108.46448	0.3
144.49396	0.4
225.11279	0.5
285.32083	0.4
299.06625	0.4
331.04559	0.4
383.72729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06033	0.2
52.76450	0.2
59.01249	1.6
61.98704	0.6
63.02292	0.3
65.00212	0.4
67.92355	0.2
69.21632	2.1
69.21957	0.2
70.87389	0.2
77.83673	0.2
79.55234	0.2
83.01294	0.2
85.02834	0.2
87.83482	0.2
89.02311	0.4
93.03371	0.6
100.45146	0.2
101.02329	0.5
107.01273	0.3
117.03366	0.8
133.02837	0.2
135.04385	0.3
149.04430	0.2
151.00291	0.7
157.60869	0.2
159.04445	0.5
165.01839	1.7
167.04930	0.3
171.04463	0.4
173.04501	0.3
179.03410	0.2
183.04465	2.2
185.02354	0.3
187.03896	0.4
191.05568	0.5
193.01364	0.7
211.03973	2.4
213.01865	0.2
226.02686	0.5
227.03470	3.3
228.03952	0.2
239.03345	0.4
240.04277	0.2
241.05002	0.3
254.01979	0.5
255.02975	42.7
256.03391	3.0
269.04541	0.8
270.61331	0.2
271.06149	1.2
282.01563	0.3
283.02463	100.0
284.02914	7.9
297.04071	0.6
298.04816	75.9
299.05402	12.8
300.05951	0.5
341.06622	0.6
384.19836	0.2
425.08899	0.3
485.10916	1.4
487.12750	0.4
503.11423	0.5
517.30469	0.3
589.15350	0.4
607.17371	0.4
649.17700	42.6
650.17963	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	643.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61617	0.2
55.01727	0.3
57.03316	0.8
58.00467	0.5
59.01249	7.8
61.98702	1.0
67.01784	0.3
69.03303	0.9
69.70132	0.8
69.70547	0.7
71.01257	5.8
72.99181	0.5
73.02817	1.5
75.00739	0.3
78.95770	0.6
79.95596	0.6
80.02531	1.0
80.96387	0.7
81.03326	1.4
83.01244	0.7
83.04891	4.5
84.02039	0.6
85.02824	2.5
87.00766	1.8
89.02309	3.5
93.03335	1.8
95.01248	0.5
95.04913	0.6
97.02827	0.6
97.06467	0.9
99.00751	0.5
99.04353	0.3
101.02322	3.6
109.02835	0.7
109.06466	0.7
111.00791	0.4
111.04385	0.5
113.02323	2.5
119.03362	0.7
119.04961	0.3
121.06487	0.4
123.04391	0.3
123.08093	0.5
125.02330	0.8
125.05931	0.4
125.09603	1.0
127.03940	0.4
127.11133	0.5
133.02859	1.4
134.03658	0.6
135.04420	2.4
135.08049	0.6
137.02353	0.8
139.03905	0.7
141.09109	0.5
143.03397	0.5
145.04933	0.5
147.04358	0.3
149.04434	0.5
151.00273	0.7
151.03918	0.3
151.11220	0.4
152.00999	0.5
152.99490	0.5
153.01807	0.5
153.09097	0.6
153.12790	1.4
159.04439	0.5
161.02373	3.3
161.04466	1.1
161.05820	0.4
162.02652	0.3
163.07591	0.3
163.11168	3.2
165.01865	0.5
165.09172	0.3
165.12802	1.8
166.02650	1.9
167.03389	0.3
167.10718	0.3
169.12263	6.3
171.10164	2.0
173.04474	1.4
175.03909	0.4
177.01773	0.3
177.05524	0.3
178.02515	0.3
179.03400	2.3
179.05513	0.7
179.10666	1.0
181.04985	2.9
181.12250	0.9
187.07544	0.5
188.04585	0.2
189.05531	0.8
191.05544	4.4
191.10677	0.8
192.05801	0.6
193.04927	0.5
195.02939	0.6
195.13853	0.5
197.11758	100.0
198.12099	6.0
199.13326	1.0
201.05508	0.3
201.09375	0.5
201.11249	8.4
202.06258	0.3
202.11609	0.3
203.10925	0.3
205.12280	0.6
207.06488	0.4
207.10193	0.7
209.11768	81.3
210.12099	5.8
211.13300	0.8
215.06949	0.4
219.13670	0.3
223.13365	4.7
224.13551	0.3
225.11235	0.8
226.11739	0.3
227.12843	14.5
228.13152	1.0
229.08578	0.6
230.09357	0.5
235.08165	4.3
235.13307	1.2
253.09267	9.9
254.09616	0.8
255.05106	1.0
263.59372	0.3
315.07379	0.3
319.22745	0.3
356.12738	0.4
371.22092	0.4
389.16040	1.7
389.23355	1.1
389.88788	0.3
390.16171	0.4
390.23734	0.3
395.40091	0.3
401.16138	1.6
407.24408	0.5
415.19516	0.4
416.75873	0.3
419.16922	1.3
433.20709	3.8
434.20941	0.4
445.20847	0.9
459.22168	0.4
463.21735	0.7
473.15692	0.6
583.25739	0.3
607.30969	1.0
625.31689	0.9
642.80035	0.5
643.26935	0.8
644.26770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
58.00480	0.5
59.01251	7.5
61.98705	1.0
69.03331	1.0
71.01257	6.8
71.04901	0.3
71.50954	0.5
72.99191	0.5
73.02835	1.5
73.80407	0.2
78.95788	1.1
79.95631	0.4
80.02549	0.9
80.96397	0.8
81.03330	1.7
81.95197	0.4
83.01279	0.7
83.04904	4.7
84.02045	0.8
85.02834	1.8
87.00762	1.5
89.02325	3.6
93.03351	0.9
95.01285	0.6
95.04903	1.0
96.96855	0.3
97.02837	0.5
97.06469	0.7
99.00803	0.4
99.04409	0.4
101.02329	3.8
109.02885	0.5
109.06478	0.9
111.04407	0.2
111.08092	0.3
113.02337	2.4
114.78651	0.3
119.03353	1.2
122.42291	0.3
125.02345	0.6
125.05995	0.5
125.09596	0.5
133.02849	0.7
134.03622	0.4
135.04430	1.3
135.08057	1.1
139.03920	0.9
141.09108	0.4
143.03418	0.3
145.04990	0.3
149.04468	0.5
151.11183	0.5
152.01141	0.3
152.99501	1.2
153.09143	0.7
153.12788	1.1
161.02399	2.0
161.04466	1.6
163.11209	4.0
164.11258	0.3
165.12810	2.4
169.12271	6.9
171.10196	2.8
173.04453	1.3
173.05920	0.5
177.01961	0.4
178.02501	0.4
179.03471	1.4
179.05551	0.9
179.10738	0.4
181.04926	0.3
181.12323	0.6
183.13812	0.3
187.07579	0.4
190.06175	0.2
191.05582	2.6
191.10727	0.9
194.05777	0.4
196.43964	0.2
197.11777	100.0
198.12106	5.5
199.13441	1.2
201.05595	0.4
201.11255	0.9
202.06245	0.4
207.10210	0.8
208.03880	0.3
208.10518	0.4
209.11783	91.6
210.12123	6.1
211.13412	0.6
215.07164	0.5
215.12791	0.3
223.13405	0.3
225.11266	1.2
226.11618	0.5
227.12868	16.4
228.13200	0.6
229.08733	0.3
230.09395	0.4
235.08241	3.3
235.13359	1.9
241.01155	0.5
253.09271	9.5
253.11954	0.6
254.09482	0.5
255.05119	0.3
276.73590	0.3
371.22150	0.5
389.23215	1.1
399.14160	0.4
407.24280	0.5
433.20871	2.9
434.20938	0.5
445.20657	1.0
449.14099	0.3
463.21793	0.9
471.15588	0.3
473.15411	0.7
534.20605	0.3
607.31610	1.2
625.32489	1.1
643.26776	0.8
644.25226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.9
60.92478	0.4
61.98690	1.1
63.22903	0.4
67.01753	0.9
71.01247	1.3
71.30700	0.7
73.02824	0.7
80.38570	0.4
80.96397	1.1
82.95976	1.0
85.02802	0.4
89.02297	0.5
89.33842	0.4
93.03322	0.6
95.01248	0.6
96.95873	0.5
97.02863	0.4
101.02339	0.5
107.04946	0.5
108.02032	0.5
109.02843	3.9
116.92783	0.6
117.75740	0.4
120.75208	0.4
121.02817	0.9
123.00786	0.7
123.04440	0.7
125.02314	0.6
131.04886	0.4
135.04411	0.8
136.01570	1.8
137.02341	27.6
138.02850	0.6
138.67151	0.4
139.00288	0.7
139.03894	0.7
148.01572	0.7
149.02364	0.6
149.04414	0.9
150.03123	1.7
151.00299	5.7
151.03903	4.1
152.00981	1.0
152.04733	1.9
159.04404	0.8
161.02351	0.7
162.03107	0.8
163.03934	0.8
164.01120	2.0
164.04715	0.4
165.01840	100.0
165.05498	2.7
166.02617	17.7
166.06100	0.6
167.03403	2.1
175.03880	1.2
176.04739	0.5
177.01852	1.4
177.05489	1.4
178.02634	0.6
179.03412	20.9
179.06981	0.6
180.04199	52.2
181.04976	21.4
182.05334	1.2
184.03748	0.6
187.03920	1.8
189.05557	0.6
190.02713	0.6
190.06346	0.6
191.03426	0.4
191.05530	1.3
192.04190	1.0
193.04927	1.9
194.05792	3.4
195.02962	3.0
195.06555	70.1
196.06891	3.2
201.05478	0.7
201.67757	0.4
202.06287	0.9
204.04230	0.4
205.04971	4.1
205.08742	0.6
206.05646	0.7
207.06552	0.9
210.05267	12.1
219.06531	0.5
220.07372	3.4
221.08228	0.5
225.07628	49.6
226.07889	2.5
227.00366	0.4
229.08633	0.6
230.09448	0.7
235.09740	0.8
276.02414	0.4
327.08853	0.6
345.09604	0.6
359.11325	2.9
372.12064	0.6
385.13220	0.5
386.13654	0.5
387.10623	1.8
387.14789	6.0
388.15063	0.6
402.13138	1.8
403.14127	2.2
416.14984	1.0
417.15540	25.6
418.16049	3.6
452.16620	0.5
535.16528	0.6
565.20374	2.9
577.20673	0.6
580.19708	1.1
595.21826	38.8
596.22076	6.5
642.28418	0.6
643.29224	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31347	0.5
55.93991	0.5
59.01248	3.2
61.98707	0.9
65.14365	0.5
67.01774	0.9
69.64057	3.2
69.64481	0.9
71.01266	1.9
73.02825	1.3
80.96383	0.5
87.31482	0.4
89.02296	1.0
93.03349	0.6
96.95877	3.0
101.02295	1.0
109.02836	1.5
113.02333	1.1
116.92749	1.7
119.03452	0.8
121.02840	0.5
123.00787	0.6
135.04427	1.1
136.01550	0.6
136.05261	0.8
137.02345	20.4
139.00298	0.5
149.04454	0.6
151.00331	3.0
151.03929	1.4
154.02594	0.5
159.04410	0.6
161.02344	0.8
163.03964	0.7
164.01056	1.8
165.01852	100.0
165.09091	0.8
166.02599	9.0
167.03299	0.6
177.01884	1.1
178.02576	0.5
179.03444	13.7
180.04211	58.1
181.04967	10.5
187.04002	0.7
187.07565	0.8
191.05496	1.8
192.04283	0.6
193.05037	0.6
194.05791	2.5
195.02975	2.7
195.06570	76.5
196.06924	5.1
197.11781	1.3
201.05566	0.8
202.06293	0.8
203.03418	0.5
204.04100	0.6
205.05013	0.7
209.11763	0.9
210.05278	12.3
211.05745	0.8
218.05698	0.8
220.07472	0.7
225.07652	71.2
226.07977	4.2
227.62704	0.5
229.08635	1.7
230.09431	1.2
233.08214	0.7
387.10211	1.0
387.11227	0.9
387.14877	3.2
388.14932	0.5
402.13202	0.7
403.13943	1.2
417.15533	10.2
417.20547	0.9
418.15961	1.6
433.15100	1.4
451.15842	1.2
481.35236	1.7
568.23938	0.6
595.21881	2.2
613.47375	0.6
643.29755	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	642.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80275	0.3
50.80510	0.3
59.01252	8.8
60.01586	0.9
61.98703	100.0
76.11781	0.3
78.95793	1.4
80.47363	0.3
92.00643	0.3
96.96805	0.4
102.05479	0.6
123.75572	0.3
152.99507	0.6
156.21855	0.3
161.64221	0.3
209.50912	0.3
211.13510	0.4
247.52367	0.3
258.78503	0.4
490.59933	0.4
643.37488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53733	0.3
57.03323	35.9
58.03653	0.8
59.01243	5.1
61.98693	0.4
66.00990	0.5
71.01243	1.4
71.50531	0.5
73.50883	0.5
78.95776	0.4
81.03328	3.9
83.01249	0.4
85.02835	1.1
85.45412	0.3
89.02323	0.5
91.10263	0.3
93.03333	1.5
96.95898	1.8
99.04393	48.0
100.04738	0.6
101.02316	4.7
109.02843	0.4
113.02335	0.7
125.02334	46.0
126.02659	1.2
133.02806	0.5
135.04379	0.8
137.02353	0.5
139.00192	0.3
143.03430	0.7
145.02834	0.4
149.04434	0.4
161.02354	1.3
161.04533	0.5
171.34045	0.5
173.04488	0.8
177.01826	0.4
177.99002	2.3
179.03442	0.8
191.05528	4.2
205.98500	60.9
206.98894	2.5
221.00861	100.0
222.01228	4.6
229.28088	0.4
236.03218	74.4
237.03560	4.2
247.16397	0.4
251.05580	92.8
252.05904	5.8
595.87726	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64399	0.4
59.01249	100.0
60.01589	1.3
61.35019	0.5
61.98707	6.4
71.01231	0.7
78.95773	8.6
78.96226	0.6
84.57529	0.4
88.57635	0.4
109.38577	0.4
136.95547	0.4
152.99493	5.4
172.37694	0.4
195.13748	0.7
209.11789	3.1
240.88194	0.4
254.56310	0.4
268.42776	0.4
276.35886	0.4
277.21765	0.8
295.22760	3.0
298.20163	0.5
345.11179	2.0
397.35257	0.4
431.22281	2.3
449.23129	0.9
481.15158	0.5
523.14734	0.7
523.65479	0.5
525.29907	0.6
555.19128	0.7
641.34503	2.7
642.35278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01260	6.2
61.98692	8.0
63.66810	0.8
65.00177	0.9
68.99688	16.4
71.01263	6.9
71.51008	1.6
73.02801	2.0
78.95776	1.0
80.96397	1.8
81.03321	1.3
83.04894	1.5
85.02821	2.3
87.00742	2.8
89.02299	3.7
91.01757	1.6
93.03334	5.6
95.01237	3.1
96.46130	0.8
96.95883	1.4
97.02792	1.8
97.06492	2.0
101.02307	2.1
105.03311	1.2
108.02029	1.9
109.02836	5.0
109.99987	1.1
113.02323	2.4
117.03301	1.3
121.02811	3.9
123.00769	12.2
123.04409	4.9
124.01508	2.2
125.02343	8.7
125.87360	0.9
131.03397	1.3
132.01991	1.1
133.02858	5.4
135.04373	3.4
136.05162	2.8
137.01414	0.9
137.02336	10.3
137.99487	1.4
138.03130	23.1
139.00226	1.4
139.03972	4.6
145.02800	3.5
146.03603	2.2
147.00723	1.9
148.01535	1.6
149.02304	3.4
149.04446	5.8
149.06094	0.9
150.03137	2.1
150.04759	1.3
151.00270	5.5
151.03839	2.2
152.00970	1.0
152.04607	1.4
153.01843	12.1
153.04285	1.7
153.05481	33.6
154.05789	1.1
155.03360	2.6
158.03564	2.7
159.04344	3.0
160.01511	1.5
161.01276	0.9
161.02338	10.2
161.04366	1.4
162.02847	3.4
163.00197	3.1
163.03934	1.9
165.01840	10.9
165.09079	2.0
166.02625	19.0
166.78412	0.9
167.03299	1.2
168.04199	53.9
169.04568	2.6
171.10194	1.2
173.04462	8.2
173.05867	1.7
174.04758	0.8
175.00311	10.0
175.03825	1.9
175.99556	1.5
176.01070	27.6
177.01863	18.9
177.05440	2.5
178.02637	10.7
179.03473	5.4
180.04164	4.5
181.04997	20.3
183.06505	0.9
187.07509	1.5
190.02579	1.5
191.01732	1.6
191.03380	24.7
191.05473	15.8
192.04207	35.7
192.05968	2.2
193.01369	22.9
193.04953	16.5
194.01875	2.7
194.05592	1.5
195.06485	3.7
197.04414	1.7
197.11739	1.4
201.05380	1.2
201.11191	0.9
202.06131	1.5
205.04935	1.9
206.05765	1.3
207.06573	45.9
208.03719	38.4
208.06856	3.7
209.04440	6.4
209.08083	1.9
209.11668	4.0
215.06918	1.5
223.06076	100.0
224.06544	9.1
225.07596	2.2
225.11269	1.9
227.12733	1.0
229.08580	3.4
238.04874	4.7
241.26427	0.9
243.12350	1.8
249.05696	1.1
266.05841	1.3
267.06619	1.2
277.05142	1.4
279.06671	1.1
281.08142	1.7
295.06015	1.5
325.10620	3.8
346.10413	1.1
352.05765	1.4
370.10568	2.6
371.11090	1.3
377.12317	1.4
379.15353	5.7
387.10843	5.4
388.11328	0.9
402.13141	2.5
407.14627	1.0
407.65347	2.5
408.15314	2.9
408.65717	2.6
417.15613	15.5
418.16010	2.0
423.14163	1.1
449.12137	1.5
467.17273	9.5
468.17462	1.4
479.33804	6.2
480.33908	1.5
535.20642	2.8
535.70862	1.5
561.16577	1.1
611.20386	2.2
641.22229	39.8
642.22546	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	641.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28073	1.3
56.52861	1.1
57.03325	2.5
58.82248	1.3
59.01255	10.3
61.98700	1.8
62.50686	1.5
65.00201	5.5
68.99718	1.4
69.03347	1.5
71.01245	10.7
71.49494	1.3
72.99184	1.7
73.02813	3.0
77.03832	1.9
83.01256	3.6
83.82801	1.2
85.02821	5.1
87.00774	3.5
89.02298	3.5
93.03338	6.1
95.01290	3.4
95.04861	8.0
99.00758	4.7
101.02326	5.8
105.03349	16.4
107.01288	3.1
109.02823	5.7
110.41537	1.2
111.00759	4.5
111.04432	1.6
113.02329	3.1
119.04905	2.1
119.90678	1.3
121.02842	1.8
121.51096	1.4
123.00758	4.1
123.04411	2.6
124.01612	2.3
125.02368	3.3
131.03404	2.6
133.02853	100.0
134.03273	5.7
135.04417	63.6
135.05463	2.7
136.01569	1.2
136.04735	1.9
137.02330	3.4
137.99495	1.9
139.00305	3.1
143.04927	2.4
145.02849	2.0
147.04358	1.8
148.01530	2.0
149.02348	3.5
149.04468	9.9
149.99547	2.0
151.00276	15.1
151.03966	1.8
152.01009	3.6
153.01828	2.3
154.99707	2.5
155.03377	2.0
159.04430	3.2
161.02377	9.4
163.00345	2.2
163.03905	1.9
163.11168	1.3
165.98961	1.8
166.99821	1.8
168.00513	1.5
171.04466	2.6
173.04504	1.9
174.03165	1.9
175.03937	3.7
176.04362	1.4
177.01854	71.3
177.99030	3.6
178.02263	4.6
178.99876	14.3
179.03418	78.7
180.03741	3.0
181.12325	2.8
185.02345	1.7
187.03877	5.0
189.01768	1.5
190.02477	1.9
191.03859	2.0
191.05559	12.0
193.01326	2.3
197.11752	3.1
199.04056	3.2
199.13362	2.3
201.01872	2.5
202.02583	1.8
203.03461	5.7
206.99316	3.9
207.10133	5.9
209.00739	3.1
213.01915	1.7
215.03333	4.1
219.03152	1.7
225.11215	10.1
227.03459	1.8
229.01297	2.0
230.02106	2.1
231.02934	4.8
232.03766	4.1
233.04559	2.9
243.02997	7.3
243.12262	7.5
245.00845	2.1
255.02911	2.3
258.01694	2.3
259.02417	6.5
260.03113	1.8
271.02502	18.8
272.03003	3.6
286.01071	2.7
287.01968	20.4
288.02493	5.0
289.03513	1.3
293.06750	3.2
297.00394	3.4
299.02014	7.4
300.02698	5.0
301.03525	5.5
311.07764	7.8
314.00488	2.2
315.01477	52.1
316.01923	5.8
317.03052	2.4
332.01794	6.3
333.02365	4.1
397.13257	2.0
421.75793	1.7
435.16635	6.5
479.14621	2.0
517.12280	1.3
541.14966	2.3
597.14020	1.8
623.12604	5.6
623.25659	3.3
641.14331	20.9
641.26660	18.4
642.14642	2.3
642.27850	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	639.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01586	1.8
61.98705	17.7
64.72527	1.1
71.50037	2.0
78.95767	9.5
89.02355	1.6
93.03393	1.2
96.96788	1.3
152.99504	6.4
161.02348	2.4
165.12675	1.7
166.75920	1.1
179.03421	1.5
191.10648	1.2
195.13863	3.2
209.11783	55.3
210.12122	5.0
227.12840	6.5
255.23315	4.1
277.21704	4.2
293.21234	4.2
295.22760	40.3
296.23129	3.8
309.94223	1.0
323.09885	1.6
341.10800	2.0
343.01001	1.5
345.11218	1.8
429.20618	1.9
487.34506	1.9
555.28363	1.8
607.25500	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	641.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.6
61.98691	1.6
63.02251	1.6
65.00191	6.6
67.01745	1.8
68.99709	1.8
71.01260	6.9
71.49690	1.8
71.50113	1.8
72.99173	1.7
73.02813	2.9
77.03852	2.5
81.03326	1.8
83.01254	3.7
83.04909	1.4
85.02831	4.1
87.00748	4.6
87.66330	1.3
87.93082	1.0
89.02335	3.1
89.03858	1.7
93.03325	5.5
95.01269	4.5
95.04905	4.8
97.02835	1.5
99.00752	2.8
101.02315	3.3
101.02968	1.2
105.03348	18.2
106.00489	1.7
107.01263	7.3
107.04903	1.6
108.01987	1.3
109.02840	8.8
111.00759	7.5
111.04411	2.2
113.02332	3.5
117.03403	1.3
119.04880	2.7
121.02848	2.8
123.00777	6.5
123.04392	3.4
124.01514	2.4
124.98718	2.1
125.02341	4.2
127.22797	1.3
131.03421	1.6
131.04971	1.6
133.02847	100.0
134.03456	5.1
135.00784	1.5
135.04419	47.8
135.05460	2.5
136.04773	2.5
137.02324	4.1
139.00250	6.8
141.01913	2.3
141.63037	1.2
143.04976	3.2
145.02805	3.1
147.00687	1.7
147.04417	2.5
148.01581	2.6
149.02376	4.1
149.04474	10.0
149.05605	1.9
149.99495	4.0
151.00285	20.6
151.03897	2.2
152.00996	4.1
153.01842	4.9
153.99074	1.4
154.99794	2.5
155.03307	1.8
155.65158	1.2
157.02963	3.4
159.04411	5.8
161.02338	16.9
161.05902	1.2
162.02695	4.4
163.00320	3.1
163.03949	2.7
164.01082	1.5
164.98148	1.4
165.04018	1.3
165.98967	1.8
166.99719	3.1
167.03419	1.8
168.00525	2.7
169.01382	2.6
171.04454	3.2
171.86674	1.3
173.02406	3.1
173.04468	2.9
175.00204	1.9
175.03929	5.2
176.01138	2.2
177.01846	80.6
177.99010	3.9
178.02341	4.5
178.99811	23.0
179.03418	62.3
180.03763	2.1
181.98479	1.5
185.02342	1.8
187.03967	8.1
189.01909	6.0
190.02481	1.9
190.99786	1.6
191.05539	13.6
193.01427	3.6
193.05019	3.8
194.99271	2.6
197.11848	1.4
199.03922	6.7
201.01895	1.9
202.02483	1.9
203.03403	8.6
205.01367	2.3
206.99271	3.7
207.10164	2.0
209.00858	4.6
211.07497	2.0
213.01892	3.0
214.02501	1.7
215.03542	7.3
217.01389	3.2
217.05034	2.7
219.02888	2.0
225.11330	2.8
227.03548	2.9
229.01393	2.6
230.02063	3.0
231.03018	7.9
232.03706	4.6
233.00938	2.1
233.04530	6.0
241.01414	2.0
242.02135	2.4
243.02945	13.7
245.00850	3.0
245.04462	1.7
247.02348	1.6
255.02954	3.3
257.00946	1.4
258.01752	3.1
259.02457	11.6
260.03128	2.0
261.03882	1.6
269.00854	2.1
270.01517	1.6
271.02496	31.1
272.02975	3.8
286.01102	4.1
287.01965	34.1
288.02502	6.6
289.03500	4.8
293.06665	5.4
297.00345	8.2
299.01959	12.9
300.02753	7.8
301.03519	10.4
304.02094	1.4
311.07721	6.2
313.07413	1.4
314.00650	3.2
315.01468	77.2
316.01807	10.5
317.03024	4.1
327.08591	1.4
332.01697	9.1
333.02457	6.9
435.16663	3.9
463.08752	2.0
477.13452	1.8
478.14148	3.4
479.14423	7.2
489.12231	2.4
501.12457	2.9
505.11984	3.1
509.27939	1.5
529.11841	2.0
541.15887	3.2
595.12933	1.7
597.14178	3.6
597.22742	1.9
608.13336	1.8
613.14069	2.1
623.12299	11.6
641.14545	32.4
641.26904	7.5
642.14160	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	639.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95637	2.4
53.28582	2.4
59.01250	87.1
61.98703	100.0
65.41396	2.8
71.01246	36.9
78.95779	10.7
80.96377	2.7
84.71650	2.4
85.02818	3.1
85.86675	2.4
87.00753	11.0
89.02317	42.3
96.96840	3.0
98.20560	6.0
101.02345	19.2
113.02321	17.8
119.03400	15.7
131.03358	2.8
143.03407	8.2
152.99486	9.3
161.02373	4.5
161.04482	6.6
179.05560	15.9
194.93607	2.8
200.76637	2.5
209.11777	27.8
210.12076	2.7
227.12897	3.6
255.23289	93.1
256.23633	8.6
269.24811	4.6
295.22861	20.8
297.24268	3.9
323.09799	25.5
341.10849	38.4
343.01035	4.4
345.11014	3.0
381.26761	2.5
555.28564	3.7
579.25494	2.6
579.33771	17.3
639.27496	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	639.2822
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.96628	0.7
57.46914	0.6
57.87180	0.8
59.01255	1.1
61.98683	2.4
65.10705	0.7
69.86407	3.8
78.95789	0.9
84.73000	0.7
99.21226	0.8
106.94354	0.7
115.68432	0.9
121.02873	1.3
125.02332	2.7
160.18787	0.9
160.45193	0.6
161.02415	1.0
161.72758	0.7
211.13333	0.9
277.21616	0.9
284.52185	0.7
313.07602	0.7
417.16922	3.4
418.18060	6.1
419.18552	1.9
431.18719	3.6
432.19519	10.2
433.20383	14.5
434.16815	1.7
434.21304	1.1
446.21146	1.9
447.22668	3.5
448.18948	2.1
449.19690	1.9
450.16595	0.9
461.19867	45.1
462.20184	7.7
462.42239	0.7
464.18637	2.3
475.21552	10.6
476.22345	3.6
479.20990	5.0
480.21494	0.8
489.19397	1.7
491.20984	5.4
492.21475	1.3
493.19742	0.9
507.05551	0.7
519.20313	1.4
520.21143	16.1
521.21771	3.5
534.22809	2.6
535.23285	3.3
538.22168	16.2
538.30090	1.2
539.22638	2.7
552.23981	4.9
553.24597	42.3
554.25061	8.6
592.26373	1.2
607.25964	1.5
608.25555	1.0
621.27240	3.0
639.28296	100.0
640.28522	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	639.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36818	0.6
55.01759	2.2
57.03325	1.3
57.39704	0.6
58.00479	1.1
59.01249	15.6
59.01541	0.8
61.98713	2.6
62.69564	0.6
67.75359	0.6
68.99702	1.7
69.03336	1.3
69.17151	3.1
69.17575	3.5
71.01254	17.4
72.87499	0.6
72.99181	1.8
73.02807	4.2
74.32097	0.5
75.00761	1.9
83.01261	6.3
84.02065	1.8
85.02816	6.4
85.99969	0.6
87.00742	2.8
89.02308	3.4
92.85328	0.6
93.03374	0.9
95.01297	1.5
96.95879	0.7
97.02842	0.8
99.00766	3.7
99.08052	0.8
101.02325	7.9
111.00747	1.2
113.02320	3.7
116.92776	2.8
117.01821	10.3
117.05464	6.0
118.97959	0.9
119.03412	1.5
119.04823	0.6
124.01552	3.4
125.02364	1.4
129.01869	0.9
130.12480	0.6
133.02869	2.8
135.04422	2.8
137.02394	0.6
139.03926	2.8
141.01836	0.6
141.12674	0.8
149.04504	1.6
151.03918	0.8
159.02914	1.2
161.02347	8.1
161.04492	1.8
163.03882	0.9
173.04488	1.4
177.01944	1.2
179.03433	3.7
179.10722	0.8
189.03963	26.1
190.04361	0.9
191.05600	3.9
191.07068	1.0
194.05771	2.0
195.06522	0.7
207.05019	1.2
209.08136	2.2
230.09656	0.8
255.02989	1.2
269.21152	1.8
283.02457	2.5
284.03030	1.7
285.03125	1.8
285.20700	0.8
287.22278	38.0
288.22586	3.3
300.02740	0.7
312.12476	2.2
342.17282	1.8
431.26443	7.2
432.27267	0.7
449.27527	100.0
450.27863	13.5
477.14142	1.6
491.28671	0.7
507.18744	0.6
596.24707	1.4
639.32306	47.7
640.32855	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	639.193
Annotation	Isolugrandoside
Peak:m/z	Relative Intensity
58.00469	0.4
59.01249	5.3
61.98680	0.7
68.91215	0.3
71.01250	5.0
73.02822	1.1
77.01196	0.4
78.72531	0.3
83.01228	0.7
85.02838	1.2
87.00742	1.0
89.02322	4.4
97.02843	0.4
98.20570	1.3
99.00766	0.5
101.02318	3.7
104.02582	0.4
105.03331	0.5
113.02338	2.3
117.03345	0.6
119.03375	1.9
121.02834	0.4
123.04411	1.5
125.02346	1.4
126.13667	0.4
131.03401	1.2
132.02049	1.7
133.02847	36.4
134.03223	1.2
135.04417	11.1
136.04785	0.6
137.02319	0.5
143.03386	0.4
149.04469	1.2
153.05472	0.5
161.02348	100.0
162.02689	4.5
179.03366	2.2
179.05522	0.9
191.05502	1.6
193.81396	0.4
221.06633	1.5
228.70341	0.4
233.62550	0.4
261.07761	0.6
315.10977	1.0
412.90485	0.5
444.87451	0.4
477.15164	9.6
478.15775	0.9
484.92667	0.4
503.14145	3.3
639.19220	30.4
640.19745	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	637.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99499	2.2
59.01250	48.1
61.98705	44.6
71.01256	75.1
71.50421	4.0
73.02819	3.9
78.95773	4.7
79.53287	2.6
80.02583	3.1
81.03381	3.2
83.04892	3.9
85.02831	8.8
85.64397	2.3
87.00742	4.4
89.02313	12.4
93.03355	2.3
97.02818	7.8
97.06417	3.8
99.00749	3.8
101.02346	13.3
103.05974	2.4
109.06478	39.2
113.02332	3.7
121.06460	2.5
123.04382	3.0
133.02832	5.2
135.04414	7.8
135.08008	5.3
149.04457	5.6
149.85034	2.7
151.03841	2.8
161.02335	11.8
161.04527	5.3
163.11192	24.5
171.10201	15.2
175.50963	3.3
179.03409	10.4
181.12192	6.1
185.11784	3.4
191.05467	3.5
199.09654	3.5
201.11305	9.3
207.10210	100.0
208.10556	6.4
209.11760	14.0
211.13318	5.2
225.11275	60.1
226.11531	4.0
243.12241	4.4
250.90669	3.3
253.09335	25.3
303.15201	2.4
325.84665	2.9
383.22110	3.0
392.20026	2.6
401.23535	2.6
461.20422	24.6
462.21255	5.7
637.32507	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	637.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16607	0.8
59.01242	2.5
61.98674	0.9
70.86820	0.9
70.87139	1.3
78.95777	100.0
79.34134	0.7
83.04899	1.1
91.25559	0.8
96.96838	10.2
127.11153	1.3
134.98421	1.9
150.97961	0.8
152.99493	61.6
153.99881	0.9
160.35007	0.7
163.11230	1.4
165.12720	0.8
171.00565	1.1
171.10226	0.7
201.11255	17.1
202.11583	1.2
209.11772	22.5
210.12111	1.5
227.12791	3.2
255.23273	90.6
256.23599	8.7
337.24744	0.7
363.12146	5.8
375.44409	0.9
381.13049	6.1
391.22586	18.4
392.22852	2.4
409.23630	8.9
593.34912	4.7
607.97711	0.8
610.68835	0.8
619.36188	28.0
620.36700	5.2
637.37207	45.3
638.37512	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	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	1.6
58.55988	1.4
59.01246	11.8
61.62710	1.3
61.98682	2.9
64.21308	1.3
65.00205	1.8
65.57628	1.4
67.52460	1.6
69.25335	6.1
69.25761	8.9
72.99174	2.1
73.02801	4.5
85.02805	3.3
87.00761	2.7
89.02294	4.4
93.03326	3.1
98.20531	3.5
101.02322	4.6
109.02842	3.4
121.02871	2.5
123.00816	1.7
134.03499	1.4
135.04428	4.2
136.01553	4.0
139.00218	3.7
139.03868	2.5
145.26099	1.9
149.02396	3.5
149.04446	3.2
153.01836	3.9
159.04381	2.8
161.02350	7.1
164.01085	2.5
164.98251	4.7
165.01843	11.0
165.98961	3.6
171.04419	2.2
175.00294	3.3
177.99002	4.8
178.99754	6.7
179.03362	3.1
180.00458	1.7
181.01350	3.0
187.04002	3.1
189.01871	2.0
191.05519	6.8
193.01311	5.9
195.04677	1.6
198.03131	2.5
199.03973	2.2
208.00194	1.4
215.03415	6.9
221.00854	2.4
222.01570	3.1
226.02689	5.1
227.03380	2.1
231.02863	4.5
242.02196	5.1
243.03030	7.7
254.02231	7.4
255.02762	1.7
258.01532	2.2
259.02414	3.5
269.01050	2.3
269.04517	7.9
270.01758	8.1
271.02487	13.2
272.02896	3.1
273.04065	1.7
285.04047	21.1
286.04517	3.2
287.01941	33.1
288.02386	3.2
297.00574	1.8
298.01089	2.3
299.01877	3.2
302.04059	2.2
311.07703	1.7
313.03552	46.2
314.03961	8.1
315.01495	59.9
315.04825	3.3
316.01855	10.1
329.02954	1.8
330.03790	69.1
331.04446	27.5
392.31482	1.6
421.25085	1.5
575.90729	1.7
638.36743	4.7
639.15619	100.0
639.37476	3.0
640.15875	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	637.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60212	0.2
57.03314	0.4
59.01250	2.4
61.98702	0.9
63.02283	0.6
65.00170	1.0
67.01740	0.3
69.34363	0.7
69.34784	1.0
70.58466	0.2
71.01250	1.7
73.02825	0.5
75.00764	0.3
79.19518	0.2
80.12405	0.2
81.03325	0.3
83.01250	0.4
83.04878	0.4
84.85352	0.2
85.02829	0.9
87.00730	0.3
89.02311	1.0
91.01789	0.3
93.03323	1.6
95.01298	0.3
96.95921	0.4
101.02326	0.8
103.39566	0.2
107.01283	1.3
109.02847	0.3
109.48435	0.3
111.04432	0.2
113.02331	0.4
116.92712	0.3
117.03346	3.2
119.03391	0.3
123.04401	0.6
125.02306	0.3
130.31876	0.2
131.03481	0.4
133.02881	1.2
133.03754	0.2
134.03642	0.3
135.00786	0.5
135.04372	1.1
137.05994	0.3
141.03345	0.9
143.04939	0.3
143.82802	0.2
149.04485	1.1
151.00279	1.0
155.04959	0.8
159.04393	1.5
161.02374	0.5
161.04573	0.2
162.03273	0.2
163.03897	0.3
165.01833	0.5
166.69214	0.2
167.04938	0.4
169.02826	0.2
171.04405	0.5
173.04498	1.8
173.05899	0.4
177.01875	0.9
178.02565	0.3
179.03468	0.8
182.03636	1.4
183.04433	7.1
184.04752	0.4
185.02367	1.5
187.03870	0.3
191.05522	3.4
197.02061	0.3
198.03146	0.5
199.03920	0.7
209.11781	0.3
210.03000	0.4
211.03935	3.3
215.03453	0.4
226.02667	0.9
227.03462	4.7
228.03810	0.3
239.12915	0.3
242.02144	1.6
243.02936	0.9
254.02115	0.7
255.02975	39.0
256.03345	2.6
257.04489	1.1
258.05130	0.3
269.04587	0.4
270.01663	1.2
271.02481	3.2
272.02863	0.3
282.01599	0.4
283.02469	100.0
284.02866	9.3
285.04004	2.6
286.04648	0.6
298.01184	0.4
299.01978	6.0
300.02512	0.5
313.03549	7.2
314.04300	9.5
315.04767	0.8
328.05896	3.4
329.06647	17.1
330.06891	1.4
351.07172	0.4
353.08862	0.3
373.25851	1.7
456.75217	0.2
463.20081	0.4
475.29675	0.3
504.27359	0.4
505.30304	1.4
595.33167	0.3
636.36346	0.4
637.17657	9.4
637.26489	0.4
637.35065	0.6
638.17834	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	636.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03318	1.0
58.00453	1.2
58.64316	0.3
59.01249	22.8
59.73356	0.3
60.01593	0.3
61.98697	2.1
61.98967	0.3
63.10377	0.3
68.92344	0.3
70.02846	1.2
71.01252	14.1
71.50896	0.5
72.99171	2.2
73.02811	1.2
83.01271	0.9
83.04890	3.5
85.02825	3.6
85.06459	0.5
87.00755	1.0
88.03936	0.5
89.02319	11.5
89.71930	0.3
90.23556	0.3
93.03326	1.1
95.01257	0.9
96.08032	0.5
96.95885	0.6
98.02341	1.6
101.02319	9.5
106.26989	0.4
108.08089	1.2
109.06477	1.1
111.04411	0.3
111.08037	0.3
113.02319	4.8
113.09618	0.3
115.66031	0.3
119.03381	3.6
124.07549	0.9
126.09122	3.1
127.03882	0.6
133.02856	1.2
135.04419	1.3
136.07573	0.9
149.04449	1.3
150.99120	0.3
154.08652	0.8
161.02367	3.1
161.04456	0.8
169.12276	0.7
173.04451	0.8
179.03320	0.7
191.05545	4.6
195.17450	2.7
196.17955	0.4
225.97682	0.4
237.18556	0.7
239.20064	0.7
255.19626	1.2
257.21170	6.6
258.21481	0.7
283.13513	0.6
285.20718	0.7
299.01971	0.8
302.23297	0.9
303.21588	1.7
328.24805	1.0
343.21167	1.1
344.24374	1.2
353.14035	0.4
357.25372	0.6
382.29553	1.2
412.30719	1.2
430.31622	1.2
445.18289	0.9
456.29990	0.5
463.19565	0.5
489.26837	0.7
573.19586	1.2
636.35992	100.0
637.36578	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	637.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32365	0.3
52.81925	0.3
56.06470	0.2
59.01250	3.2
61.98694	1.0
63.02283	0.6
64.99906	0.3
65.00213	0.8
66.91266	0.2
69.83376	1.4
71.01253	2.8
73.02830	0.4
75.00735	0.3
78.95786	0.3
79.30554	0.3
83.01257	0.4
83.04893	0.6
85.02836	0.9
87.00748	0.8
88.56701	0.3
89.02328	1.3
93.02812	0.4
93.03327	2.4
94.27981	0.3
95.01251	0.4
96.95908	0.5
101.02309	1.5
107.01289	0.9
113.02338	0.8
117.03336	2.3
118.97969	1.0
119.03434	0.3
123.04456	0.4
125.02275	0.3
133.02856	2.5
134.03674	0.4
135.00781	0.5
135.02939	0.3
135.04396	1.7
137.02304	1.6
141.03381	1.0
145.02783	0.2
149.02405	0.3
149.04460	0.8
149.17650	0.3
151.00281	0.8
155.03542	0.3
155.04924	1.0
159.04370	1.5
161.02344	0.7
161.26628	0.3
167.03459	0.3
167.04901	0.6
171.04422	0.7
173.04442	0.8
173.05911	0.5
177.01831	0.5
179.03438	1.6
182.03638	1.2
183.04436	6.1
185.02379	0.9
191.05502	3.9
199.03976	0.4
209.11806	0.7
211.03932	2.9
227.03453	3.4
228.03659	0.3
255.02959	36.3
256.03384	2.3
257.21152	0.8
283.02460	100.0
284.02869	9.1
285.03751	0.4
299.22113	0.3
353.08798	1.1
504.27048	0.4
505.03998	0.3
505.29871	0.8
636.36011	7.2
637.36914	3.7
658.23248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
58.00454	1.3
59.01255	23.1
61.98701	3.0
69.25213	3.1
69.25626	1.4
70.02851	1.2
71.01259	16.5
71.04881	1.4
72.99169	1.5
73.02824	1.1
81.03311	0.6
83.01240	1.6
83.04906	4.1
85.02823	3.8
87.00772	0.6
88.03902	0.5
89.02324	11.7
90.47100	0.5
93.03344	1.1
95.01266	1.6
96.95901	0.8
98.02365	1.4
99.00764	0.8
99.08007	0.7
101.02328	9.5
108.08095	1.0
109.06473	1.6
109.88294	0.5
111.04360	0.5
113.02348	5.2
119.03396	2.6
123.00787	1.4
124.07560	0.8
124.70602	0.4
126.09153	2.2
131.03358	0.5
131.68579	0.4
135.04401	0.8
136.07582	1.0
137.02332	0.8
149.04445	2.1
154.08641	1.4
155.10690	1.3
161.02353	1.0
165.01878	1.5
171.13835	0.5
173.04448	1.7
177.01915	0.6
179.03490	1.0
181.15913	3.6
191.05573	3.2
237.18460	0.7
243.02821	0.6
255.19595	1.3
257.21182	7.1
271.02731	1.2
275.01831	0.7
299.01959	1.4
301.03424	0.8
302.23370	0.5
303.21704	0.6
311.02014	1.5
314.04318	0.9
315.05179	1.4
328.24884	1.0
329.03204	0.5
344.24399	0.7
349.20810	0.5
412.30624	1.4
430.31616	1.0
461.24585	0.8
477.10724	1.3
636.36035	100.0
637.14459	2.5
637.36542	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	635.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70514	0.4
54.35664	0.5
57.38990	0.4
58.02846	0.8
59.01240	1.1
66.82494	0.4
78.95773	89.8
83.04881	1.2
89.02263	0.6
96.96836	9.0
96.97425	0.7
126.55267	0.5
127.11193	1.4
128.91916	0.6
150.97916	1.8
152.99487	100.0
153.99846	2.1
154.99982	0.5
155.10745	0.5
163.11227	0.6
165.12834	0.7
171.00520	3.6
171.10156	0.6
201.11258	13.8
202.11604	0.8
209.11769	22.3
210.12094	1.4
227.12816	2.6
229.31868	0.8
253.21741	1.1
255.23242	1.9
337.10696	1.0
355.11670	2.8
363.12155	7.6
381.13177	35.6
382.13596	2.0
389.21118	0.9
399.14221	41.6
400.14594	3.5
417.31549	0.7
485.19870	0.8
527.21008	1.0
559.23773	1.1
591.33380	0.7
617.34448	6.9
618.35052	1.0
635.25122	1.0
635.35803	17.2
635.48004	3.7
636.35834	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	635.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.1
69.33848	5.5
69.34265	3.8
77.16581	0.9
81.02261	0.9
82.06505	1.0
82.15404	1.0
89.02332	1.9
94.02934	1.0
96.95899	1.6
98.19847	2.5
106.06489	1.3
108.04420	5.4
110.06012	3.2
121.05186	1.6
122.06014	10.2
124.07574	1.5
134.06010	12.7
135.04472	1.5
135.06781	1.8
136.07570	5.0
137.04686	1.6
138.05516	3.8
140.07069	20.2
146.06029	12.1
149.04582	7.9
150.05534	2.2
152.07104	2.2
161.02449	1.7
162.05524	7.3
163.06021	1.1
164.03462	5.8
164.07065	8.2
166.05040	4.0
167.05792	2.3
179.05751	3.0
183.23143	1.0
187.08736	1.9
189.45442	1.1
191.05531	2.9
196.07704	1.2
198.09305	1.4
199.08601	1.5
212.10791	6.5
213.10226	3.2
215.11754	2.4
224.10828	1.2
225.10263	1.5
226.07417	5.0
226.12355	17.3
227.08228	24.9
227.12000	3.5
228.08644	2.5
229.09790	2.0
239.08203	3.7
240.08977	7.2
241.09769	32.2
242.10469	6.8
243.11316	6.8
253.09756	1.9
254.10574	5.0
255.11392	18.7
257.09262	1.8
261.12436	3.6
267.11502	1.4
269.12939	52.4
270.10333	2.0
270.13358	5.2
271.10791	3.8
271.14423	5.2
272.08118	1.5
273.12424	8.2
284.11536	1.6
285.12363	5.6
287.10730	1.4
301.11945	8.9
302.12540	2.3
303.13486	22.9
304.13916	1.7
313.11893	22.1
314.12671	4.9
315.13470	10.4
316.10742	1.3
324.05142	1.7
353.06744	2.4
355.08456	1.3
366.14264	2.6
380.16058	3.0
381.16708	1.9
394.17578	2.8
408.15646	3.2
410.20615	1.3
422.17389	1.4
438.16531	2.2
453.19165	15.4
454.19583	4.6
472.77042	1.2
573.26825	1.5
575.25085	39.5
576.25458	7.3
599.24731	3.6
617.26117	100.0
618.15668	1.9
618.26294	17.0
635.17261	1.9
635.27283	23.5
636.16254	2.4
636.27576	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	635.1611
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
56.06314	0.2
57.03322	0.3
59.01253	1.9
61.98695	1.1
63.02275	0.3
65.00187	0.6
68.83020	0.2
70.36683	0.9
72.99191	0.3
73.02823	0.6
73.90663	0.2
74.95629	0.2
83.01245	0.6
83.04903	0.3
85.02831	0.7
87.00770	0.5
88.98676	0.7
89.02317	1.2
90.40159	0.3
93.03326	0.7
95.01266	0.5
96.95912	1.1
101.02312	0.8
107.01287	1.5
108.02073	0.3
109.02904	0.3
113.02331	0.5
119.03455	0.3
119.04874	0.4
123.04453	0.2
125.02336	0.3
132.02066	1.4
133.02937	0.4
134.03616	0.3
135.00824	1.3
135.04413	0.4
143.04839	0.3
145.02855	0.3
149.02336	0.3
149.04472	0.9
151.00285	2.5
159.35715	0.2
161.02289	0.5
163.00316	0.7
164.01031	0.6
164.04701	0.5
165.01785	0.3
169.01396	0.3
173.04472	0.5
177.01797	0.4
178.99814	1.5
179.03348	0.3
179.05589	0.3
179.07021	0.4
183.04466	1.1
185.02333	0.2
187.03915	0.7
190.99838	0.3
191.05559	2.5
199.03908	0.6
200.04675	0.5
211.03940	2.0
227.03450	44.8
228.03796	3.4
229.04939	1.1
239.03452	0.8
240.04056	0.3
241.04839	0.2
255.02968	77.4
256.03503	8.8
257.04489	1.5
283.02441	1.7
284.03253	100.0
285.03827	15.7
286.04288	0.9
309.03860	0.4
327.05133	0.5
443.09909	0.3
457.74582	0.3
471.09299	1.5
473.11130	0.4
489.10214	0.7
575.14020	0.5
593.15521	0.2
635.16162	58.0
636.16412	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	635.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12579	0.5
56.27932	0.6
61.98694	2.4
62.96283	0.6
68.30660	0.6
71.01253	0.6
71.15969	0.9
71.16311	0.7
73.02810	0.5
77.82873	0.6
78.95782	36.6
88.68706	0.5
96.96857	2.7
125.09614	0.6
152.99500	20.8
153.61821	0.5
163.11226	0.7
171.10161	1.4
197.11864	0.7
199.09709	0.8
201.11298	1.1
207.10173	1.2
225.11287	3.4
255.23265	26.2
256.23685	1.8
349.36801	0.6
361.10498	1.7
379.11624	3.1
391.22635	6.3
399.14276	1.0
409.04364	0.6
409.23593	3.6
415.15872	1.3
419.18927	2.3
429.17490	1.3
430.14389	2.4
431.19885	3.1
431.87476	0.7
433.20435	1.9
434.21448	0.8
444.15747	1.4
445.16330	3.7
458.17303	2.8
459.18442	2.1
460.19748	0.7
473.15662	2.4
473.20447	2.4
474.16718	7.3
475.17599	4.1
486.20041	0.8
487.18018	2.3
488.18442	7.3
489.19144	6.7
490.20184	6.5
491.20593	1.4
501.19357	2.1
505.22491	5.2
516.18005	1.8
529.18921	0.9
548.20447	0.8
549.21552	1.7
559.23450	1.0
560.20667	1.2
561.21136	1.1
575.22955	14.2
575.31873	1.0
576.23615	10.2
577.24347	1.7
591.33362	1.0
603.22870	1.8
617.24646	1.0
617.33923	3.4
635.25275	100.0
635.35742	14.1
636.25537	21.2
636.35760	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	635.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02555	1.5
51.01110	1.4
53.10743	1.7
54.19044	1.8
56.38476	1.6
57.03323	2.0
57.75939	1.5
58.00464	2.9
59.00958	3.1
59.01254	60.0
61.98697	3.5
69.03307	2.1
71.01257	50.9
71.50249	2.0
72.01613	1.7
72.99181	3.2
73.02831	11.9
75.00700	1.7
79.98429	1.4
80.50770	1.4
80.74886	1.4
81.03349	1.9
83.01259	3.6
85.02834	21.5
87.00746	6.0
89.02321	44.4
93.03326	2.0
95.01260	2.3
96.95897	3.3
99.00748	3.4
99.04402	2.4
101.02332	31.8
103.03952	2.5
111.91859	1.6
113.02323	16.7
114.02592	1.9
117.05425	2.7
119.03391	18.5
120.05617	2.2
125.02342	1.4
131.03400	2.4
133.02914	1.7
133.10143	3.9
135.04393	3.9
135.05515	2.1
135.06535	31.8
135.11682	11.2
138.48076	1.5
143.03354	3.5
147.04408	1.7
149.04451	8.5
156.43028	1.6
159.08022	4.7
161.02347	2.0
161.04480	7.7
161.09618	22.3
165.03966	1.6
165.31648	1.7
179.05524	7.1
179.10689	53.3
180.11005	2.9
191.05531	5.9
193.12268	1.6
203.10667	4.8
221.11827	2.8
225.11282	3.4
279.10736	12.4
290.42996	1.8
297.11917	71.5
298.12320	4.2
307.61020	1.8
459.22421	6.6
503.21381	100.0
504.21915	14.7
527.57141	1.6
533.22217	1.7
622.82813	1.6
635.25568	68.6
636.26007	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72588	0.2
56.33190	0.2
57.03304	0.4
59.01249	100.0
60.01588	1.0
61.98704	3.4
69.03319	0.3
70.66576	0.2
71.01264	1.0
71.04894	0.4
71.49760	0.5
81.03352	0.3
85.02847	0.3
88.98679	0.5
89.02328	0.7
96.95895	0.3
97.06479	0.6
101.02333	0.4
112.46885	0.2
113.81680	0.3
119.03380	0.3
123.04311	0.2
133.02809	0.3
135.04427	0.4
149.04472	0.3
161.02417	0.3
171.10139	1.6
173.04628	0.3
179.03491	0.4
179.10727	0.6
191.05545	1.2
199.62032	0.3
207.10234	0.4
209.11812	0.5
211.13332	0.3
223.09753	0.2
225.11296	0.3
227.92151	0.2
249.14967	1.4
263.23590	0.2
267.16000	4.4
327.18250	0.9
342.43863	0.3
357.89423	0.3
531.29736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	66.7
60.01582	2.0
61.98703	100.0
69.03314	1.0
71.01257	32.5
71.50484	1.2
71.50867	1.5
72.99171	2.0
73.02819	29.6
73.30395	0.9
77.11391	1.0
81.03331	6.8
83.01252	11.2
83.04892	24.6
85.02818	6.4
89.02314	17.3
93.03319	1.4
95.01229	1.6
96.95893	1.3
97.02798	1.6
101.02321	37.4
113.02338	12.9
119.03381	6.5
125.02367	1.4
131.03354	4.0
133.02786	1.5
137.02304	1.4
139.07512	4.1
142.08614	1.6
143.03386	4.5
149.04477	20.5
151.93135	1.1
155.03392	2.4
161.04459	14.5
170.08180	1.3
173.04512	1.4
181.12231	3.3
188.09209	5.6
191.05530	3.0
195.40649	1.1
203.05460	2.4
221.06590	4.3
350.14511	7.4
385.82428	1.0
429.15057	1.0
455.18082	1.2
484.25641	1.8
502.26581	61.0
503.26752	4.8
634.31024	15.7
635.31232	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	633.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72588	0.2
56.33190	0.2
57.03304	0.4
59.01249	100.0
60.01588	1.0
61.98704	3.4
69.03319	0.3
70.66576	0.2
71.01264	1.0
71.04894	0.4
71.49760	0.5
81.03352	0.3
85.02847	0.3
88.98679	0.5
89.02328	0.7
96.95895	0.3
97.06479	0.6
101.02333	0.4
112.46885	0.2
113.81680	0.3
119.03380	0.3
123.04311	0.2
133.02809	0.3
135.04427	0.4
149.04472	0.3
161.02417	0.3
171.10139	1.6
173.04628	0.3
179.03491	0.4
179.10727	0.6
191.05545	1.2
199.62032	0.3
207.10234	0.4
209.11812	0.5
211.13332	0.3
223.09753	0.2
225.11296	0.3
227.92151	0.2
249.14967	1.4
263.23590	0.2
267.16000	4.4
327.18250	0.9
342.43863	0.3
357.89423	0.3
531.29736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66532	0.8
59.01244	1.9
65.84392	0.6
69.68967	0.7
70.87510	1.5
70.87849	0.7
71.01234	1.8
72.18274	0.7
85.02824	6.0
87.00721	1.1
89.02322	1.5
93.03329	6.2
111.04430	1.2
113.53653	0.7
119.04914	11.2
127.03915	1.7
143.04906	1.3
149.04454	8.5
163.03923	10.5
164.04295	0.9
173.04430	3.5
175.25563	0.7
191.05539	100.0
192.05881	3.2
195.79347	0.7
239.10699	1.6
265.08682	2.4
280.91046	0.7
283.09747	1.1
295.08206	1.1
313.12796	0.8
327.08728	11.5
328.09073	1.1
337.09265	19.9
338.09512	1.6
369.97919	0.7
501.14001	2.1
633.18408	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	633.328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18986	0.7
57.03303	5.0
59.01251	100.0
60.01584	1.4
61.98702	6.2
69.03312	1.4
71.01244	4.2
71.05602	1.7
71.05944	0.9
73.02818	5.0
75.00733	0.8
75.37565	0.7
76.58717	0.8
79.05412	1.2
83.04900	5.9
85.02847	1.4
87.00784	1.0
88.98654	1.8
89.02331	4.0
93.03338	2.7
96.95886	1.5
97.06496	0.7
101.02319	1.5
109.02825	1.2
109.06467	1.4
123.08020	2.3
125.09612	1.1
135.04390	1.6
137.02347	15.8
147.08081	1.0
149.04425	0.8
152.06395	0.9
160.28923	0.8
161.02397	1.7
165.09106	2.5
169.10165	0.7
171.10135	3.1
173.09621	0.8
179.03471	1.8
183.10156	1.0
191.05486	3.0
201.12822	1.2
209.11700	1.2
219.13838	1.2
229.08797	1.1
238.80380	0.9
247.13600	0.9
327.12381	1.1
351.23236	1.0
356.16333	1.6
377.24875	1.7
388.18872	2.2
394.26309	0.9
395.25677	3.3
406.20139	1.6
413.26956	3.0
414.26224	0.9
433.27359	1.1
439.24091	1.2
443.24362	1.5
444.25204	1.1
448.21045	5.0
451.28516	2.8
455.24036	1.1
457.25940	2.8
469.29593	3.9
470.29669	1.5
487.30630	1.5
495.27478	3.3
499.27490	1.5
513.28613	17.6
514.28894	3.0
531.29651	9.5
532.29651	2.3
573.30713	8.2
574.31232	1.6
633.30292	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	629.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75289	1.1
58.82887	1.1
59.01251	15.3
61.98709	12.0
68.99664	1.4
69.03292	1.5
69.74886	7.4
71.01256	10.7
72.99207	1.6
73.02805	4.5
77.45071	1.0
78.95795	1.4
81.03323	1.6
83.01215	1.5
85.02810	6.3
87.00744	3.1
87.04351	1.4
88.98660	7.4
89.02322	9.2
93.03326	10.2
95.01247	4.1
96.95860	4.5
97.02809	1.7
97.45720	1.3
98.20538	2.7
101.02310	5.3
109.02830	3.5
111.00755	2.5
111.04398	3.1
113.02318	3.1
119.03409	2.3
121.02859	7.5
122.03632	11.7
122.06006	1.4
123.00753	6.7
123.04385	2.6
124.01540	2.6
125.02351	2.3
125.32355	1.2
131.03265	1.5
133.02863	6.7
134.03621	3.8
135.04411	9.8
135.08058	2.6
136.01587	2.6
137.02350	7.0
137.99452	1.5
138.03131	3.6
139.00243	7.5
139.03880	2.7
145.02795	1.6
147.04393	5.0
147.27214	1.2
149.02373	25.8
149.04443	19.4
149.05762	2.4
150.03137	100.0
150.99352	1.1
151.00313	13.3
151.03906	6.5
153.01834	5.5
153.05464	3.8
155.03403	2.1
159.04390	2.6
161.02377	13.9
161.04485	2.2
162.03035	4.5
163.03857	3.6
164.04637	4.5
165.01901	2.3
165.05486	95.0
166.01280	2.0
166.02632	33.0
166.05786	4.8
167.03065	2.5
170.99164	1.3
173.04475	7.7
175.03897	7.1
176.01135	1.6
176.04590	1.4
177.01863	6.2
177.05502	3.6
178.02657	3.5
179.03384	4.3
179.07011	1.2
180.04225	9.4
181.04980	62.9
182.05362	2.3
186.10686	1.2
187.03914	1.4
189.01715	1.9
189.05389	1.9
191.03413	9.4
191.05511	24.0
192.04175	9.6
192.05675	1.6
193.04935	5.8
195.06557	35.2
196.06821	2.0
201.11197	2.6
203.03400	17.2
204.04086	2.4
205.05026	3.0
206.05452	1.7
207.06601	11.5
209.11749	1.6
218.05795	16.3
219.06386	2.6
220.03656	2.0
221.04446	4.8
225.07684	1.4
233.08186	24.0
235.06154	1.9
236.06880	16.7
249.07561	2.7
251.09236	64.6
252.09410	5.6
253.09605	1.5
267.11392	4.0
271.02423	1.5
299.01831	2.2
331.87967	1.4
343.07919	1.6
353.09082	2.6
357.09274	1.8
358.10583	6.6
373.08978	1.9
373.12894	13.1
375.85895	1.3
385.13010	3.3
403.09421	1.5
403.13864	5.1
416.10995	2.9
417.11917	3.1
418.12469	2.1
418.67502	1.4
431.13501	3.0
432.14127	5.3
433.15042	40.3
434.15216	4.5
467.34018	1.7
497.30597	2.5
581.19482	2.0
591.20862	4.2
593.14197	2.0
611.19446	1.4
614.20343	2.0
629.22302	95.5
630.22571	19.9
644.26904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2245
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
50.97933	1.6
59.01245	13.5
59.73531	1.6
61.98670	6.5
66.46485	1.5
69.48190	13.4
71.01219	7.4
73.02789	6.7
79.95598	1.8
80.96384	8.0
83.01220	3.4
85.02787	2.9
87.00751	2.7
89.02287	6.8
93.03301	7.3
95.01221	4.9
101.02271	4.2
109.02835	2.2
111.00703	2.9
113.02277	4.1
119.04836	2.2
121.02878	8.8
121.03561	2.1
122.03648	14.7
123.00771	9.4
123.04389	3.2
124.01501	3.0
125.02260	4.7
125.99413	1.8
127.00245	3.2
133.02744	4.9
134.03575	4.9
135.04428	7.9
136.01474	3.1
137.02261	6.9
138.03078	4.7
139.00269	10.4
139.03835	3.5
147.04456	8.3
149.02362	23.4
149.04414	17.9
149.05579	2.9
150.03131	92.7
151.00287	21.6
151.03926	8.4
153.01738	6.5
153.05382	3.1
159.04337	5.7
161.02271	4.7
162.03087	4.4
163.03836	4.0
164.04620	3.8
165.01756	4.8
165.05473	67.2
166.01326	2.4
166.02625	47.3
166.05714	4.0
167.03166	2.0
173.04422	4.4
174.03040	2.7
175.03836	8.3
176.04681	2.1
177.01746	6.6
177.05362	4.9
178.02470	3.6
179.03319	6.1
180.04099	7.7
181.04977	85.2
182.05261	4.2
187.03807	2.3
188.01018	2.4
189.01802	2.8
189.05432	4.5
191.03320	16.9
191.05420	15.8
191.06989	3.2
192.04169	9.8
192.05641	2.1
193.04854	6.1
195.04823	2.0
195.06558	29.4
203.01653	2.1
203.03430	38.3
204.04001	4.1
205.04918	3.4
206.05606	1.7
207.06456	5.1
218.03864	2.1
218.05792	33.9
219.06284	5.9
220.03711	2.4
221.04555	8.4
223.05907	2.8
225.00595	3.6
225.07501	3.1
233.08136	40.6
235.05978	3.6
236.06870	21.9
251.09207	77.5
252.09346	6.4
267.11230	3.4
271.05762	2.1
339.08630	3.2
355.08102	1.9
357.09460	3.1
358.10458	4.7
373.12857	9.9
385.12881	2.8
387.10663	3.6
403.13708	4.8
403.83832	1.7
417.11548	2.9
431.12982	5.5
432.13647	6.3
433.14972	33.8
434.15189	5.0
551.15289	4.0
581.20428	14.5
582.20288	3.4
611.21106	4.1
629.21857	100.0
630.22504	20.9
657.03247	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	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.6
58.00472	3.7
59.01255	100.0
61.98699	2.7
62.36901	1.9
69.48338	14.6
71.01260	68.3
72.99181	5.9
73.02817	2.7
73.91589	1.8
75.00764	2.2
76.01151	1.7
83.01277	3.3
85.02824	14.5
87.00753	6.4
87.61665	2.1
88.98682	2.3
89.02324	99.3
93.03323	2.8
95.01289	5.6
101.02329	34.1
102.47996	1.8
110.92336	2.0
111.00805	2.0
113.02345	27.5
119.03407	32.1
119.04948	1.9
130.80984	2.1
131.03413	2.4
137.02281	2.2
143.03383	7.5
149.04454	4.4
150.03197	2.0
161.02376	3.8
161.04469	10.5
165.05486	2.0
174.03278	2.1
179.03459	3.1
179.05524	34.9
191.05553	11.4
214.02170	2.0
218.73531	2.2
238.16339	1.9
382.59982	2.3
627.29590	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01241	3.0
61.98698	1.8
63.11010	0.5
69.88151	0.5
70.89153	1.2
71.01244	1.6
78.95749	0.8
84.95663	0.5
85.02818	0.6
87.00733	0.6
89.02319	0.6
93.03327	1.1
95.01272	1.2
95.04918	0.5
96.95893	1.0
97.02848	0.6
99.04449	0.7
101.02293	0.5
107.04926	0.6
109.02832	2.4
111.00776	1.0
111.23051	0.5
113.02328	0.6
121.02856	0.9
123.00779	3.0
123.04449	1.0
124.01556	2.0
125.02331	1.1
131.04965	0.8
135.04472	0.9
136.01559	1.7
137.02344	12.3
138.02960	0.6
139.00279	0.6
139.03905	3.5
146.03606	0.6
149.02325	1.7
149.04617	0.5
149.05949	1.1
150.03093	0.9
151.00276	24.6
151.03880	3.9
151.07535	0.5
152.01018	1.5
152.04694	2.1
152.99515	1.1
153.01910	0.8
153.05528	1.0
159.04396	1.0
161.02382	1.7
162.03040	0.9
163.03911	1.1
164.04602	0.5
165.01860	1.5
166.02626	72.2
167.03316	5.0
173.02364	1.2
173.04424	1.7
174.03146	0.8
175.03922	3.3
176.04677	0.9
177.01854	3.7
177.05443	1.6
179.03416	3.6
179.07149	0.8
180.04021	0.5
181.04979	83.6
182.05275	3.3
184.03694	0.8
187.03917	2.5
188.04732	0.8
189.05498	0.9
190.02689	0.6
190.06299	2.2
191.03407	3.0
191.05544	1.4
192.04176	1.6
193.04924	1.5
197.51472	0.6
202.02660	0.5
202.06213	0.8
203.03427	0.6
205.05032	5.6
205.08591	1.6
206.05765	2.9
207.06537	1.9
209.04442	0.8
209.11774	0.8
219.06578	0.7
220.07346	2.4
221.08167	6.3
224.03122	0.8
229.08769	0.8
230.09456	0.6
235.09753	1.7
301.07016	0.6
309.04117	0.8
309.07504	0.7
310.65137	0.5
312.06442	1.0
323.09222	0.6
327.08740	1.1
339.08578	3.2
340.09503	0.7
357.09595	2.1
357.13510	0.8
359.11417	2.9
372.12140	5.9
373.12839	1.6
387.10632	11.0
387.14514	39.0
388.11279	1.0
388.14850	5.3
399.14410	2.2
401.16312	1.1
402.13174	7.9
403.13684	2.2
417.15540	100.0
418.15863	14.1
431.17105	0.9
565.20917	2.9
597.23352	3.1
598.24463	0.9
609.22699	0.6
623.68732	0.6
627.25378	6.4
627.36395	0.9
628.24872	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.9
71.01257	7.8
71.49027	5.3
71.49548	5.8
83.01250	7.4
85.10375	5.0
87.00757	38.6
100.01541	5.2
100.31940	5.8
111.00761	8.9
112.98702	6.6
123.00748	10.7
137.02333	8.7
153.42848	5.6
161.02396	5.7
165.01848	71.7
166.02562	9.5
169.54056	5.5
173.00890	11.8
177.01868	6.2
179.03491	31.8
179.07019	6.0
180.04248	61.0
181.04884	8.1
190.84555	6.4
191.05399	5.8
194.05795	9.9
195.06587	72.1
209.08101	7.1
210.05286	13.0
225.07587	47.1
226.07857	5.1
262.04800	10.8
265.07239	6.7
277.07080	9.0
295.08331	5.3
337.09277	37.9
355.10400	7.1
443.13687	8.2
491.15427	18.1
609.18298	20.2
627.19226	100.0
628.19824	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	627.2103
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
57.85032	0.3
59.01240	0.6
65.33158	0.4
70.78870	0.9
70.79224	0.5
73.02821	1.1
93.91096	0.3
103.85305	0.4
109.55122	0.4
122.94481	0.3
204.19958	0.4
260.38266	0.4
437.12534	1.1
438.13284	1.4
451.14011	1.5
452.14786	4.1
453.15201	0.6
465.15750	0.5
466.16385	0.8
469.11078	0.6
470.11600	0.4
480.13925	0.7
481.15005	8.9
482.15347	2.5
484.13602	0.5
492.17554	0.6
493.15887	1.1
494.15955	1.3
495.16806	18.4
496.17215	4.0
506.16678	0.4
507.16595	0.7
508.17749	3.2
509.18585	2.1
510.17474	0.4
512.13757	1.4
518.15460	0.5
521.14307	1.2
522.15240	0.7
523.16028	1.1
526.15106	1.2
533.18408	0.8
535.16205	2.6
536.17188	3.8
537.17242	0.9
539.15289	0.7
540.16095	3.8
540.23340	0.6
541.16632	0.7
551.19421	44.5
552.19635	11.7
552.28192	0.6
553.17426	1.0
554.18488	0.8
555.18762	1.5
556.19727	0.6
567.19012	0.7
568.16254	1.0
572.15594	3.0
573.16016	0.5
583.21814	0.6
586.17065	2.7
587.17279	0.9
595.18317	9.9
596.18494	2.3
626.26794	0.9
627.20911	100.0
628.21222	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65670	0.9
57.03323	1.1
59.01245	8.5
63.02254	2.7
65.00179	6.6
66.29663	0.9
67.01757	1.4
68.99709	1.0
70.59535	1.0
71.01249	4.4
72.99174	1.3
73.02789	1.5
79.71616	0.9
81.03331	1.6
83.01235	3.6
85.02796	1.2
86.56850	0.9
87.00739	1.7
89.02328	2.7
93.03339	2.3
95.01254	6.0
96.99158	1.2
97.02853	1.4
98.19744	2.0
99.00733	2.1
101.02332	1.4
106.00463	2.4
107.01289	8.2
108.02077	1.4
109.02840	9.8
109.99991	1.5
111.00763	9.4
113.02321	1.6
113.32255	1.1
117.03312	1.4
119.04925	2.5
120.99151	1.6
121.02827	2.6
123.00786	7.2
124.01550	2.0
124.98692	2.4
125.02300	4.4
130.04118	1.1
131.03375	2.4
133.02829	3.8
134.03589	1.3
135.00769	2.1
135.04420	4.6
136.01572	1.0
136.98708	2.0
137.02321	2.7
137.99478	1.5
139.00261	9.4
139.03973	1.4
140.01065	1.1
141.01822	2.5
143.04926	1.8
145.02821	2.2
147.00806	1.2
147.04422	2.2
148.01538	2.0
148.98640	1.1
149.02344	8.5
149.04378	2.3
149.99451	3.9
150.03087	2.3
150.99153	1.8
151.00276	22.5
152.01083	5.8
153.01839	6.6
154.99771	4.4
155.04890	1.2
157.02933	1.2
158.03625	1.3
159.04420	6.5
161.02328	6.3
162.34976	0.9
163.00276	4.6
163.03885	3.8
164.00987	2.7
164.98132	4.0
165.01825	2.9
165.05464	2.6
165.98964	3.2
166.99742	3.7
167.03424	2.3
168.00494	4.2
169.01360	4.6
169.02661	1.0
171.04407	3.9
173.02373	3.5
174.03127	2.2
175.03909	7.3
176.01089	0.9
177.01788	3.8
177.05537	1.5
177.98999	6.7
178.98236	1.4
178.99786	26.8
179.03352	1.7
180.00201	1.3
181.01340	3.0
181.98395	2.1
183.04349	1.2
185.02455	1.6
186.03183	1.0
187.03920	11.1
189.01877	6.1
190.02553	2.9
191.03429	2.2
191.05511	3.3
192.00484	1.8
193.01282	4.1
194.99164	3.9
195.06557	5.3
197.02400	2.0
198.03133	1.6
199.03900	7.5
201.01898	5.2
202.02643	2.3
203.03436	11.5
204.04099	3.1
204.97636	2.5
205.01367	2.5
205.04953	2.3
206.02155	1.2
206.99234	3.3
207.02905	2.1
209.00854	5.6
209.04533	1.4
209.08118	2.3
213.01830	4.4
214.02560	2.2
215.03458	9.2
216.00690	1.3
217.01320	4.0
217.04855	2.1
219.02885	3.6
222.98772	1.5
227.03424	3.7
229.01294	3.8
230.02086	3.4
231.02914	12.1
232.03609	7.5
233.00784	1.5
233.04501	10.3
241.01505	2.2
242.02072	3.0
243.02919	17.5
244.03664	1.2
245.00876	3.0
245.04510	3.4
246.01547	2.9
247.02348	2.0
253.01485	1.4
255.02937	2.2
257.00839	2.3
258.01761	5.5
259.02466	12.0
260.03055	2.6
261.03946	3.8
269.00839	4.0
270.01627	2.2
271.02457	31.0
272.02896	3.6
273.04037	1.3
275.02054	1.3
285.00333	1.2
286.01254	6.2
287.01968	46.5
288.02576	10.5
289.03506	9.5
297.00336	7.9
298.00778	1.7
299.01920	8.3
300.02661	5.7
301.03442	5.2
303.01511	2.2
304.02002	1.0
314.00677	4.0
315.01459	100.0
316.01865	11.7
317.02692	2.2
331.00903	1.1
332.01651	15.9
333.02383	9.9
357.13345	2.4
405.15637	2.0
463.08945	1.7
465.14145	6.3
475.10794	2.0
479.07809	1.1
487.10535	1.2
491.10361	3.5
515.10199	2.1
527.13953	4.7
531.68085	1.2
555.13336	2.2
573.12762	1.1
581.11365	1.8
583.12811	4.3
599.12854	3.0
609.10901	12.4
610.11731	1.8
627.11890	37.3
628.11981	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	625.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42882	0.5
51.60138	0.5
55.01752	1.3
57.03306	0.8
58.00451	1.3
59.01255	15.2
61.98708	4.1
61.98998	0.7
64.18031	0.5
65.74340	0.5
69.03333	1.2
71.01254	11.1
71.50422	0.7
71.50809	0.9
72.99192	1.1
73.02811	3.9
75.00768	0.7
80.96388	1.5
83.01265	1.8
84.63315	0.5
85.02827	5.6
86.03125	0.6
86.69227	0.5
87.00772	2.5
89.02318	5.2
90.98465	0.6
93.03344	1.9
94.97987	0.6
95.01268	1.3
99.00779	1.1
101.02321	8.8
103.00262	0.6
107.04911	1.6
108.02058	4.8
111.00789	0.8
113.02332	3.7
119.03386	1.4
121.02842	9.5
123.04408	5.6
125.02321	1.6
127.11194	2.0
133.02875	1.1
134.03529	0.5
135.00783	1.2
135.04401	0.6
141.63690	0.5
143.03401	1.1
149.04507	3.7
150.03151	0.5
150.04688	0.6
151.03886	1.8
155.10721	1.0
157.12233	1.7
161.02332	1.0
171.10201	1.8
173.04454	1.1
177.01854	0.7
179.03427	2.3
186.66644	0.6
191.05563	2.7
194.05710	1.1
205.07196	0.7
209.08116	1.6
211.32367	0.5
223.19705	0.7
225.05495	4.8
227.07039	0.9
242.05763	0.7
255.02989	0.7
257.08182	28.7
258.08536	2.5
259.06076	0.9
287.05475	1.0
295.22665	1.2
300.02426	0.6
311.22314	1.2
313.23773	7.7
314.24234	1.0
329.23267	2.1
331.24896	29.8
332.25327	3.8
352.92444	0.6
438.73843	0.6
449.22882	0.8
466.50299	0.6
475.29114	2.1
493.30197	100.0
494.30496	14.9
521.32532	0.6
528.14954	0.7
565.19165	3.0
566.19684	1.4
619.61456	0.6
625.25519	2.0
625.34412	30.3
626.26587	0.6
626.35010	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	625.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08940	0.6
54.41038	0.7
55.01751	0.9
57.03327	5.1
59.01252	27.7
59.69674	0.6
60.53517	0.7
60.73653	0.7
61.98705	1.1
63.02224	0.8
65.00175	0.9
69.54118	5.3
71.01252	17.6
72.99166	1.2
73.02801	2.4
75.00719	0.9
80.68645	0.7
81.03304	0.7
83.01259	1.9
85.02827	12.7
85.06458	0.7
86.03129	1.2
87.00740	1.4
89.02315	8.4
93.03349	0.9
95.01249	4.4
97.02774	0.8
101.02316	6.5
105.01830	0.8
109.02769	0.7
111.00747	1.0
113.02336	18.6
114.02679	3.9
115.02789	2.0
117.03332	1.6
119.03355	1.6
121.93629	0.7
123.04398	1.9
125.02346	1.6
125.09541	0.7
132.02049	2.5
133.02853	35.8
134.03171	12.2
135.03366	3.3
135.04393	14.7
136.04741	8.0
137.04959	1.5
139.00293	0.8
143.03470	0.9
143.10649	1.4
145.02820	1.5
149.04436	1.5
151.00264	2.8
153.05475	1.1
153.12721	0.9
155.10675	1.3
159.04346	0.8
161.02348	100.0
162.02692	41.9
163.00301	0.8
163.02864	18.8
173.11826	0.8
178.99776	1.2
179.03438	3.1
179.05519	0.9
180.03885	1.0
185.02303	0.6
191.05563	2.2
199.03941	1.1
203.03351	0.9
209.11787	6.8
215.03447	0.9
225.67715	0.9
227.12727	1.3
243.02957	0.9
255.02951	1.5
259.02536	1.3
261.79465	0.8
271.02490	4.6
272.03110	1.1
287.02026	2.1
299.01968	4.7
299.61066	0.7
300.02756	0.9
316.02185	2.5
317.03027	2.1
330.03702	1.0
331.04465	1.0
339.79221	0.7
345.26703	1.8
359.28021	1.6
377.29129	7.8
397.13449	2.6
415.14511	2.0
461.16571	2.1
462.16968	4.8
463.17126	9.1
521.33331	31.5
522.33441	5.6
539.34363	8.8
540.34619	1.6
555.91083	0.8
581.35199	4.4
582.35638	1.1
625.20618	65.3
626.21295	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	625.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03311	2.0
58.00471	0.9
59.01252	56.8
60.01574	1.1
61.98698	9.6
69.03315	1.2
71.01254	20.5
71.04240	1.5
71.04884	1.1
72.99186	3.2
73.02830	4.5
75.00721	1.1
79.95612	1.8
80.96386	8.7
82.23339	0.8
83.01249	2.8
85.02814	6.0
87.00749	2.1
89.02319	15.5
93.03285	1.7
94.97956	2.5
95.01290	2.1
96.95911	1.7
99.00764	1.3
101.02323	14.8
108.02037	1.1
111.00765	1.4
113.02346	6.7
119.03402	4.9
121.02892	1.1
122.97461	0.9
123.04465	1.0
125.02325	2.2
127.11174	1.7
131.03502	0.9
133.02827	2.0
134.03590	1.1
135.04414	1.8
137.02386	0.9
139.03915	1.0
143.03426	1.0
149.04465	3.7
152.98546	1.0
154.40942	0.8
155.10675	1.4
157.12202	0.9
161.02284	2.1
161.04491	1.3
164.98538	1.7
166.31944	0.7
171.10217	2.6
173.04440	2.4
173.05899	1.2
178.02646	1.0
179.03432	2.5
187.03905	1.3
187.07590	4.0
191.05530	5.5
193.04903	0.8
194.05795	1.8
201.05522	1.8
202.06294	7.0
203.06735	1.1
209.08102	3.8
209.11732	1.6
215.63324	0.7
225.00752	3.3
225.05501	1.0
229.08661	1.1
231.10202	8.2
237.18634	1.3
257.08246	4.0
295.22726	2.2
299.01788	1.2
301.02448	0.9
311.22327	0.8
313.23798	14.9
314.04456	0.8
314.24103	0.9
316.05157	1.2
329.23373	2.8
331.24899	40.9
332.25214	3.3
375.27463	1.1
376.27960	1.6
377.28113	1.9
403.17831	1.7
411.16583	22.2
412.16995	3.9
475.28632	1.1
493.30173	100.0
494.30453	14.9
505.34018	1.8
521.33295	4.3
625.17230	1.6
625.25165	14.5
625.34546	43.4
626.25446	2.4
626.34717	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39479	0.5
55.01758	0.7
55.71798	0.5
58.00463	0.9
59.00962	1.1
59.01250	19.3
65.00207	1.3
69.03315	0.7
71.01257	15.9
71.50138	0.7
72.99191	1.7
73.02827	2.8
80.02544	1.4
81.03324	1.9
83.01253	2.6
83.04899	6.2
84.02041	1.5
85.02828	4.0
87.00774	3.1
89.02318	13.2
91.03841	0.5
93.03330	1.5
95.01266	1.4
95.04919	1.0
97.02834	1.8
99.00768	0.8
99.04406	0.7
101.02316	12.1
107.01267	1.3
109.06441	0.7
111.00784	1.7
111.04409	0.8
113.02328	6.3
117.03362	1.7
119.03400	3.6
123.00798	0.8
125.02366	5.3
131.03392	0.8
135.04451	0.8
135.08057	1.1
136.34837	0.5
137.02313	0.8
139.00264	1.3
139.03938	0.7
141.01823	1.0
143.03378	3.1
143.04935	0.7
145.02837	1.6
149.04482	0.8
151.00266	3.8
152.01004	1.1
155.04932	0.7
155.10580	0.6
159.04404	1.2
161.02359	0.8
161.04414	3.0
163.00322	0.7
163.11189	4.7
165.12766	3.6
167.07613	0.5
171.04492	1.0
173.04488	0.8
174.03023	0.9
178.99828	2.7
179.03606	0.6
179.05525	2.2
183.04391	0.6
187.03938	1.4
188.04744	0.9
189.05446	0.9
191.05540	1.8
191.10703	1.3
198.70473	0.5
199.04012	0.6
203.03516	0.8
209.11771	100.0
210.12122	6.9
215.03465	1.9
216.04227	1.1
221.06685	0.7
227.03368	2.0
227.12840	18.1
228.13161	1.1
231.03023	1.1
235.08179	5.5
241.01405	0.7
242.02098	1.1
243.02904	2.2
244.03738	0.7
253.09167	1.1
255.02942	2.5
259.02478	2.1
270.01630	1.1
271.02475	10.3
272.03073	2.0
287.02014	3.0
287.07678	1.4
298.01257	1.0
299.02005	11.6
300.02481	1.4
301.03479	0.7
305.08743	1.0
316.02194	8.2
317.02936	2.2
318.03506	0.6
397.13498	26.6
398.14023	3.3
415.14572	18.1
415.20020	1.1
416.14822	1.1
513.12134	0.5
625.13983	7.7
626.14465	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
59.65436	0.8
61.98696	0.9
63.98374	0.8
71.16199	0.9
71.16535	1.6
78.95764	1.7
87.14869	0.7
93.03345	0.8
98.20530	0.9
113.04710	0.7
119.43665	0.8
122.06046	0.8
134.06094	1.2
197.11807	0.7
207.15359	0.7
209.11702	1.1
213.10283	6.2
215.11971	0.8
292.10599	0.9
299.13980	2.1
327.10074	1.2
398.15292	1.1
405.13983	1.0
419.15427	1.0
432.12390	1.3
433.12692	3.9
434.13766	1.9
447.14679	4.1
448.15402	7.2
449.16199	5.7
450.16589	1.8
461.12537	1.0
463.17700	20.5
464.18460	4.3
465.19031	1.1
466.19781	0.8
476.14636	1.1
477.19687	3.9
478.19879	2.4
479.20767	13.3
480.21173	1.9
491.17169	25.8
492.17633	5.2
503.17035	0.9
505.18954	5.1
506.19559	5.6
507.20184	2.9
520.21112	1.7
523.19867	2.5
524.20172	1.3
538.22205	24.1
539.22809	8.1
548.29297	0.9
593.24048	6.7
594.24286	1.8
625.26611	100.0
626.26978	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	625.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48710	0.4
55.01752	0.4
57.03313	0.5
58.00460	1.3
59.01254	17.2
69.03326	0.8
69.06560	0.5
71.01260	14.6
71.04912	0.8
71.43884	0.4
72.99170	1.2
73.02822	2.5
80.02554	1.4
81.02916	0.5
81.03328	2.1
83.01254	1.7
83.04900	5.1
84.02029	1.6
85.02836	2.0
87.00751	3.5
89.02321	12.8
93.03363	0.6
95.01275	1.6
95.04910	0.7
97.02832	2.0
97.06494	0.5
99.00768	0.6
101.02328	11.0
107.01276	0.7
109.02853	0.7
109.99973	1.3
111.04408	0.9
113.02344	5.4
119.03397	4.3
123.00829	0.7
124.01546	0.5
125.02380	4.3
125.05953	0.4
131.03430	0.6
135.04424	0.8
135.08025	0.7
138.79636	0.4
139.00262	1.4
139.03838	0.5
143.03416	2.0
149.04434	0.6
151.00264	1.4
152.01019	0.7
152.22530	0.4
161.02356	0.9
161.04454	2.4
163.11208	4.7
164.01054	0.7
165.01825	0.8
165.12766	3.0
165.99007	1.6
166.99731	0.9
178.99818	1.9
179.05481	2.3
180.00494	0.4
181.12280	0.8
184.51067	0.5
187.03856	0.8
191.05576	0.8
191.10710	1.2
199.04164	0.8
199.05916	0.4
201.01909	0.4
203.03389	0.5
209.11781	100.0
209.86655	0.4
210.12117	5.9
215.03506	0.6
215.40463	0.4
216.00635	0.4
216.03984	0.4
217.07018	0.4
221.06580	1.0
223.47754	0.4
227.03467	1.1
227.12856	14.9
228.13168	1.0
229.01392	0.4
235.08168	3.7
242.02222	0.5
243.02975	1.4
244.03711	0.6
253.09235	1.2
255.03006	1.1
263.07632	0.6
265.19095	0.4
270.01697	1.1
271.02527	7.6
272.02972	1.2
287.01877	2.8
287.07684	0.8
288.02777	1.0
289.03650	0.5
299.02011	5.6
300.02505	1.3
301.03204	0.5
305.08774	0.8
315.01697	0.5
316.02240	10.8
317.02905	4.3
318.03503	0.4
397.13495	23.8
398.14063	2.6
415.14590	16.1
416.14957	1.6
535.04840	0.4
604.63019	0.5
625.14093	10.4
625.24774	0.9
626.14386	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26482	0.5
60.93742	0.5
61.98684	0.8
62.55696	0.5
62.60736	0.5
71.49939	0.7
73.02794	0.8
90.92242	0.5
93.45991	0.6
134.05988	1.6
197.07280	0.8
209.11752	0.9
211.08844	0.8
213.10271	10.3
214.10643	0.7
215.11954	0.9
237.10286	1.0
239.11772	0.6
246.11098	0.6
267.11270	1.3
291.08981	0.7
299.13980	3.1
314.09485	0.7
325.12051	0.8
327.09763	1.1
328.10745	1.3
340.10913	0.8
342.12402	1.3
344.14096	0.7
356.10413	0.8
356.14380	0.7
358.15424	0.8
385.14157	1.6
398.14774	1.1
405.14032	0.6
418.10773	0.9
419.15466	1.0
420.16605	1.1
421.17230	0.7
432.12360	0.9
433.13016	6.4
434.13495	3.2
435.18732	0.8
436.19434	0.7
439.21494	1.9
447.14636	6.1
448.15344	12.5
449.16077	8.1
450.16470	1.2
452.19788	0.7
461.17068	0.7
462.17123	1.0
463.17740	24.6
464.18237	6.4
465.19174	1.6
473.16141	1.1
475.14169	1.2
477.19800	4.0
478.20123	3.7
479.20905	18.9
480.21878	2.5
490.16394	1.1
491.17227	32.5
492.17538	7.1
503.17517	1.0
505.18719	4.3
506.19653	8.7
507.20389	4.5
519.20764	1.4
520.21094	2.0
523.20026	2.9
524.20380	1.3
525.24963	1.1
538.22223	32.8
539.22772	11.1
540.24127	1.0
551.23285	0.7
552.23242	1.0
593.24011	8.9
594.24249	1.9
625.26660	100.0
626.27002	21.1
626.37555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44677	0.7
57.03336	0.8
58.20967	0.7
59.01247	7.4
61.98708	7.4
69.03333	1.9
70.98436	1.7
70.98782	1.0
71.01257	4.8
71.04903	1.1
73.02821	1.0
78.95774	63.9
80.96416	1.8
83.04916	2.2
85.02844	2.3
87.00735	1.4
89.02353	1.2
93.03368	2.2
95.04903	0.8
96.96846	13.6
97.06476	0.8
99.08047	0.9
101.02345	2.4
109.06456	1.4
111.08064	2.3
113.02328	2.0
123.08024	1.4
125.09616	1.2
133.02856	1.6
135.04382	1.6
150.97890	0.7
152.99487	100.0
153.99854	1.5
161.02327	1.9
167.10692	3.6
171.00536	3.9
171.10199	1.3
173.04507	1.9
177.12793	1.7
179.03416	1.2
179.14362	3.1
187.07706	1.0
189.05589	0.8
189.09166	0.7
191.05536	4.3
195.13840	11.1
197.11737	6.6
200.96342	0.8
205.12311	6.7
207.10100	1.5
209.11789	10.1
223.00108	9.9
223.13356	36.1
224.13686	2.5
235.08095	1.5
241.01143	34.6
242.01547	0.8
247.20770	0.9
259.02243	2.9
291.19681	26.7
292.20023	3.0
301.26346	0.8
309.20590	2.8
315.04837	16.8
333.05865	2.8
345.24319	1.0
371.22226	1.6
377.13495	0.8
389.23148	3.3
407.23993	1.2
511.19540	0.9
528.19781	2.1
539.18958	66.2
540.19275	8.3
607.24414	7.9
608.25256	1.2
625.25952	31.7
626.26062	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	625.1413
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
53.93197	0.6
59.01257	10.2
61.41472	0.5
61.98721	1.1
63.02291	1.1
65.00189	3.4
67.01746	0.7
68.99698	0.9
70.83025	1.1
70.83360	1.4
71.01259	7.8
71.45585	0.5
72.18491	0.5
72.99189	0.7
73.02860	2.2
75.00764	0.7
80.02600	0.8
81.03355	1.4
82.36702	0.6
83.01286	2.4
83.04901	3.0
85.02847	2.8
87.00790	2.4
89.02328	6.7
93.03347	2.0
95.01265	3.1
96.95879	0.7
97.02840	1.2
99.00787	2.2
101.02351	5.1
107.01269	4.3
108.02116	0.8
109.02831	4.1
110.00001	8.6
111.00799	5.0
113.02355	4.1
119.03404	2.0
121.02878	1.8
123.00771	5.3
123.04395	0.6
124.01583	3.3
124.98744	0.8
125.02358	5.4
133.02846	4.1
134.03703	0.7
135.00780	1.3
135.04471	1.8
136.01570	1.1
136.98665	1.5
137.02361	2.8
137.99477	3.5
138.03107	0.7
139.00273	11.3
139.03868	1.0
141.01830	0.9
143.03419	1.2
143.05006	1.3
146.03664	1.1
147.00795	1.0
147.04414	1.0
148.01630	1.0
148.18272	0.7
149.02348	2.2
149.04538	0.6
150.03146	0.8
151.00285	14.0
151.03906	1.2
152.01105	6.4
153.01851	1.9
155.04996	1.0
158.03586	0.8
159.04436	1.7
161.02374	6.7
161.04538	1.2
163.00296	4.8
163.04015	0.7
163.11241	2.5
164.01073	2.6
165.01906	1.3
165.12772	1.4
165.99001	10.2
166.02618	4.2
166.99811	5.8
169.01373	1.8
171.04489	2.6
172.05255	0.6
173.02371	0.8
173.04501	0.7
174.03157	1.5
175.03947	1.8
176.01013	0.8
177.01849	0.7
178.02518	0.6
178.99789	15.6
179.03455	1.8
179.05524	0.9
180.00336	0.7
181.01407	1.2
181.04993	5.4
183.04483	1.7
185.02321	0.8
186.03232	0.9
187.03943	3.1
189.01889	2.5
190.02658	0.9
190.99844	0.7
191.05591	1.8
191.10893	0.7
192.00534	1.0
193.01384	0.9
193.05051	0.7
193.98579	1.5
194.99323	1.8
198.03215	2.1
199.03963	5.9
200.04599	1.1
200.87366	0.6
201.01862	3.5
201.05536	1.5
202.02699	1.0
203.03456	4.0
204.03879	0.6
205.01414	0.7
206.02107	0.8
206.99272	3.2
207.02829	0.9
208.00095	1.9
209.11792	44.0
210.12167	1.7
211.04109	1.2
211.06113	3.1
213.01979	1.0
214.02701	4.5
215.03505	3.8
216.04193	1.9
217.01372	1.5
217.05019	1.3
219.03085	0.7
220.03514	0.7
225.01944	0.8
226.02640	1.5
227.03473	7.9
227.12900	6.9
228.03508	0.6
229.01401	2.0
229.05045	0.6
230.02188	1.5
231.02968	4.5
232.03688	1.6
235.08276	1.4
242.02148	6.4
243.02953	13.1
244.03700	2.3
245.00981	0.9
245.04494	2.3
247.02534	0.8
254.02296	0.7
255.03008	10.8
259.02475	5.9
260.03271	1.8
270.01706	8.4
271.02493	55.5
272.03091	10.2
273.03995	3.4
282.01767	0.8
287.02005	20.7
288.02673	8.8
289.03406	1.9
298.01212	3.2
299.01978	48.7
300.02545	7.6
301.03461	2.4
315.01416	2.8
316.02240	82.2
317.02942	45.4
318.03357	2.5
397.13480	10.5
398.13705	1.1
415.14621	5.7
420.04874	0.7
463.09024	0.9
489.12863	0.6
517.11981	0.9
581.14856	1.6
607.13000	3.2
625.14050	100.0
626.14459	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	623.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.9
59.01250	74.0
69.03368	1.4
69.82208	7.5
71.01257	30.0
71.04897	4.4
72.99187	2.5
73.02811	6.0
81.03307	3.4
83.01238	4.8
85.02824	18.2
85.06464	2.3
85.09325	1.3
87.00742	4.1
89.02322	9.2
93.06953	4.8
95.01237	5.3
97.02842	2.4
99.00749	3.3
99.04375	8.0
101.02322	16.6
103.84202	1.3
109.06466	5.0
111.00721	1.5
111.08041	1.6
113.02324	22.4
117.03357	2.6
119.03335	4.3
123.04382	1.6
125.02322	3.8
129.09084	5.9
133.02847	19.0
134.03606	1.5
135.04428	11.3
136.89671	1.4
143.10619	1.9
145.02805	5.4
161.02351	48.9
161.04478	3.7
162.02702	2.5
163.11211	3.1
179.03445	3.5
179.05486	1.8
181.12250	3.2
191.05499	5.5
193.04985	1.8
195.13867	1.5
197.15396	2.0
207.10226	14.9
215.16455	11.8
221.27615	1.4
225.11224	13.6
226.11545	1.6
227.16521	2.8
243.12332	4.9
245.17517	11.7
260.14505	1.5
271.02582	2.6
281.93600	1.3
285.04224	1.5
294.47488	1.3
299.01950	2.0
310.24899	1.5
357.26419	2.3
375.27463	5.9
389.21765	5.4
397.13495	2.8
406.48151	1.5
407.22870	5.7
461.15958	3.3
519.31738	100.0
520.32092	16.2
537.32770	22.4
538.33063	4.5
579.33905	6.9
623.19482	15.9
623.26849	6.6
624.19324	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.7
57.63606	1.1
58.83066	1.0
59.01251	25.5
61.98711	7.4
67.01767	7.8
67.02060	1.3
69.03305	1.5
71.01257	20.3
71.50725	2.0
72.99173	2.4
73.02812	4.8
75.00736	1.7
81.03341	2.4
81.38615	1.1
83.01248	2.8
83.04890	1.6
84.09003	1.1
84.93227	1.3
85.02811	9.9
87.00759	3.0
89.02322	10.6
93.03331	41.3
94.03669	1.5
95.01251	3.2
96.95894	7.0
97.02834	2.4
101.02334	8.0
109.02819	3.6
111.00723	1.9
111.04422	6.6
113.02334	9.6
119.03379	2.5
121.02876	2.6
123.04408	3.0
125.02325	2.4
130.78737	1.3
131.03427	1.7
133.02856	9.3
134.03621	1.4
135.00769	1.5
135.04434	7.2
137.02336	8.2
141.26224	1.1
149.04483	9.5
151.00256	1.7
155.03416	8.9
161.02342	25.9
161.04425	1.8
162.02724	2.5
163.03799	1.5
165.01828	4.5
173.04465	100.0
174.04796	4.0
177.01730	1.3
179.03433	3.4
183.13799	3.1
191.05504	8.4
193.01315	2.1
196.06871	1.2
199.03836	2.2
201.11514	1.2
225.11139	1.5
226.02640	1.5
227.03459	1.9
227.12839	8.0
241.13211	1.8
241.17833	1.3
242.02155	3.9
243.02966	7.4
254.02020	2.9
255.02922	2.4
257.04529	4.3
257.08179	2.4
269.04575	3.2
270.01657	4.5
271.02469	28.1
272.02835	2.0
285.04016	9.8
286.04544	3.5
287.22214	10.3
298.01178	2.5
299.01953	46.4
300.02374	5.0
311.22177	2.4
313.03546	20.0
314.04288	56.9
315.04953	14.1
328.05850	9.5
329.06631	89.6
329.23303	2.4
330.07007	10.7
352.08127	1.8
357.26337	2.0
359.17065	1.4
375.27454	7.8
431.26459	1.7
449.27518	42.8
450.27863	4.1
461.10663	1.4
461.16653	2.1
491.21509	1.9
491.28397	21.8
492.28918	2.7
503.32355	1.9
519.31805	2.1
623.16339	56.3
623.32764	70.4
624.16522	11.8
624.32959	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	623.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19138	1.1
57.03312	2.9
58.00459	2.3
59.01249	37.1
61.98685	5.3
67.44892	1.0
69.17026	9.2
69.17434	3.5
71.01249	22.8
72.99149	2.5
73.02822	5.7
74.34707	1.1
75.00728	1.5
83.01253	2.4
83.04897	2.9
85.02820	7.8
87.00758	2.5
89.02327	13.8
93.03329	2.9
95.01260	3.9
95.04863	1.2
96.95874	9.4
97.02827	1.6
98.20596	2.3
99.00739	2.5
101.02319	13.3
109.02841	1.8
109.06490	1.6
111.00770	1.9
111.04405	1.9
113.02329	10.9
117.03313	4.9
119.03344	3.8
123.04382	1.4
124.01584	1.2
125.02349	2.2
125.09577	2.5
127.11160	1.9
132.02058	21.1
133.02870	17.1
134.03630	46.3
135.04440	7.6
136.01576	1.2
137.02263	1.3
143.03348	1.7
145.02910	1.4
147.04417	3.9
148.05199	1.9
149.04433	3.3
149.05978	7.5
151.03947	1.4
155.03380	1.9
158.03568	1.4
160.01564	95.4
161.02354	33.3
161.04393	2.1
162.02769	3.2
165.09138	1.6
167.03340	1.3
171.10211	2.9
173.04436	5.3
173.05815	1.8
175.03925	77.5
176.04669	14.5
177.01797	2.6
177.05356	1.6
178.02550	3.5
179.03362	3.7
179.05338	1.4
182.57292	1.2
191.05528	2.9
191.07071	16.9
192.07330	1.4
193.04985	48.3
194.05386	2.1
201.11273	14.6
207.06569	6.1
207.10167	3.3
208.26347	1.1
220.03685	1.7
225.11194	2.4
227.03397	3.4
235.06076	44.4
236.06320	3.3
250.59207	1.3
253.14235	1.9
255.03081	5.6
256.03473	1.8
265.07129	10.5
271.02463	3.1
283.02457	6.6
284.03171	4.9
287.22293	8.5
295.08203	13.0
298.04874	3.3
299.02167	2.8
299.05551	13.4
311.22299	2.3
314.04245	1.8
329.23172	6.2
355.10382	2.9
373.26010	1.9
374.26147	2.6
375.26740	3.0
443.32092	2.4
449.27533	27.8
450.27792	4.1
461.16782	3.1
473.27393	2.4
490.28134	1.3
491.28577	71.8
492.29095	8.6
549.23450	3.4
573.20135	1.9
623.17657	9.2
623.26166	100.0
624.18298	1.5
624.26874	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	623.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.9
59.01251	14.5
61.98692	2.2
69.35350	6.5
70.93694	0.7
71.01252	10.0
72.99179	0.7
73.02821	2.9
81.36060	0.8
83.04888	1.5
85.02814	4.5
87.00728	1.5
89.02309	4.9
89.03849	0.8
93.03327	2.0
95.01286	0.8
96.95909	1.5
97.02811	0.9
99.00776	0.8
101.02328	5.0
103.53223	0.8
113.02335	6.3
117.03384	3.5
119.03406	1.2
119.04937	0.9
121.02866	2.1
123.04415	1.5
132.02071	15.4
133.02858	14.3
134.03636	35.8
135.04475	6.7
136.01576	2.7
137.02339	1.3
147.04471	2.8
148.05247	1.9
149.04524	1.9
149.05992	5.3
151.00294	1.0
151.03931	2.4
158.03651	1.2
160.01569	69.7
161.02357	33.3
161.04543	1.3
162.02701	1.6
166.02632	2.0
167.03352	1.1
173.04517	1.7
173.05960	1.1
174.03215	0.9
175.03923	67.5
176.04649	10.1
177.01884	2.0
177.05377	1.0
178.02612	3.6
179.03459	4.2
181.04991	2.1
191.05534	5.7
191.07114	14.5
192.04169	1.2
193.04987	38.1
194.05362	2.5
207.06563	4.8
217.05090	0.8
220.03853	1.7
225.11522	0.8
235.06082	35.5
236.06459	2.3
265.07141	6.9
271.02460	0.9
295.08167	9.2
299.02194	1.5
300.02774	1.2
314.04251	0.8
355.10419	1.0
357.09869	1.2
375.27429	1.7
383.58380	0.9
387.14566	4.4
461.17160	2.4
491.28397	2.2
519.31683	3.6
526.36932	0.8
537.32611	1.0
549.23077	1.6
550.24640	0.8
606.22736	0.8
623.27307	100.0
624.27637	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	623.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03317	1.4
58.00413	0.9
59.01255	37.2
61.98707	6.9
69.03310	2.7
70.63574	2.3
71.01257	23.0
72.99181	1.6
73.02827	4.1
75.00711	0.9
78.95789	3.4
80.02511	1.0
81.03324	3.5
83.01255	2.7
83.04902	4.0
85.02825	7.1
87.00750	4.6
89.02322	17.9
92.86430	0.7
93.03314	1.6
95.01253	2.6
97.02844	11.1
99.00748	3.2
101.01711	1.2
101.02324	14.7
107.04909	1.7
109.02826	1.1
109.06485	37.7
110.03624	3.2
110.06824	0.8
111.00718	1.1
112.74107	0.7
113.02336	9.4
119.03384	4.9
121.06463	2.5
123.04396	2.2
125.02337	4.1
133.02867	8.1
135.04407	4.1
135.08069	3.9
136.05162	2.2
141.01852	1.5
142.02666	4.3
143.03389	1.7
145.10153	1.0
149.04489	1.6
151.00385	0.7
152.99477	1.7
161.02365	20.9
161.04369	3.7
161.09639	2.1
162.02687	0.8
163.03934	1.2
163.09840	1.2
163.11206	20.7
164.11623	1.0
165.09102	1.1
173.04449	1.4
179.03407	3.3
179.05513	3.1
179.10867	0.9
181.12282	7.7
187.07610	0.7
189.09113	1.8
191.05527	3.5
197.11867	1.8
207.10217	100.0
208.10617	6.7
209.11797	3.1
211.13284	1.4
221.06612	1.8
225.11293	77.1
226.11613	5.9
229.37592	0.8
235.08147	3.7
243.12238	3.4
253.09319	1.9
271.02499	1.6
299.02036	2.5
299.15118	2.7
305.09021	1.9
312.12177	0.8
314.04340	2.1
315.04889	0.8
334.12891	0.9
340.08334	0.8
343.12753	1.3
397.13513	31.3
397.18628	1.6
398.14011	2.2
415.14612	25.0
416.15164	1.9
443.19043	1.3
461.16367	1.7
605.25269	2.5
623.25909	81.6
624.26465	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	623.162
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
56.69086	0.4
58.00474	0.6
58.27577	0.4
59.01252	6.3
59.78029	0.5
64.60815	0.4
65.00222	0.6
68.54960	0.4
69.34358	1.0
69.34769	3.3
71.01247	3.4
73.02836	0.8
73.23044	0.5
75.27661	0.4
83.01286	1.2
85.02856	1.9
87.00744	0.9
89.02317	2.6
91.74564	0.4
93.03346	0.5
95.01304	0.7
97.02839	0.7
99.04394	0.5
101.02332	2.3
103.03861	0.5
107.01286	1.2
108.02099	0.7
109.06475	2.9
111.00762	6.0
111.04472	0.6
113.02319	3.5
117.03377	2.0
123.04451	0.6
125.02356	0.6
132.02167	0.5
133.02858	5.5
134.45206	0.5
135.00778	0.5
135.04401	4.5
137.94310	0.5
139.11232	0.5
143.04913	0.5
145.02859	10.6
149.04491	1.1
151.00279	4.4
153.01968	0.5
161.02342	16.5
161.05879	0.5
162.02748	1.0
163.00357	0.9
163.03941	1.0
163.11205	1.2
171.04453	0.7
173.00854	1.3
173.04539	0.6
179.03468	1.2
181.12242	0.7
183.04422	1.1
183.10172	0.6
185.02248	0.5
187.03975	1.0
191.05653	2.7
199.03954	4.2
201.01643	0.5
203.03461	0.7
204.04173	0.6
205.05054	0.8
207.10205	6.3
215.03410	1.9
225.11288	4.4
226.02600	0.9
227.03467	4.5
228.03853	0.6
242.02193	2.5
243.02940	21.4
243.12337	3.3
244.03520	2.5
254.02222	1.5
255.00264	0.8
255.02960	16.3
256.03543	1.5
257.04459	3.8
259.06064	1.2
270.01614	3.0
271.02463	42.0
272.02994	6.7
285.03992	6.8
286.04822	1.6
287.05530	1.5
299.01950	42.4
300.02707	37.5
301.03116	3.5
314.04297	33.8
315.05078	100.0
316.05426	8.4
357.06088	1.1
365.09540	0.5
397.13437	1.5
415.14691	1.2
461.14417	7.2
519.31586	2.6
623.16089	84.6
624.16370	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	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.2
69.44789	9.0
69.45129	1.6
71.01252	2.2
71.62818	1.1
73.02785	1.1
89.02330	1.3
92.33561	1.1
94.25650	1.0
95.18304	0.9
98.19836	2.3
104.36172	1.1
109.02845	1.7
117.13155	1.0
121.02825	2.8
142.61394	1.0
147.32213	1.1
161.02406	1.2
165.01863	8.8
165.94949	1.1
167.56024	1.3
180.80777	1.0
193.01321	2.9
199.03874	2.9
201.11281	3.2
207.40030	1.1
227.03479	4.2
227.89149	1.1
243.03006	6.0
254.02034	1.2
255.02824	3.0
269.04617	2.2
271.02472	60.6
272.02856	4.8
285.04071	1.9
299.01962	100.0
300.02530	9.8
311.22476	1.6
314.04309	86.6
315.05014	32.0
316.05377	1.8
333.87390	1.4
365.17752	1.3
413.51376	1.1
491.28641	13.3
529.22516	1.3
623.16150	99.0
623.32782	5.0
624.16492	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	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.0
59.01249	15.8
61.98706	4.0
65.00201	0.8
69.26061	0.9
71.01246	5.3
71.30365	0.9
71.30688	1.3
73.02834	3.3
75.00730	0.7
83.01237	0.9
85.02837	2.6
87.00774	1.2
89.02335	3.1
93.03364	2.9
93.53915	0.8
95.01273	0.7
96.95894	1.9
97.06438	0.8
100.34540	0.7
101.02333	2.8
101.65081	0.7
102.14823	0.7
108.02103	0.8
109.02824	1.4
109.06446	0.7
109.99961	1.7
111.04445	0.9
113.02343	2.1
116.74711	0.8
121.02829	1.6
123.04424	2.7
133.02846	6.2
134.03705	1.0
135.04384	1.0
136.98778	1.1
143.04916	0.9
148.01620	0.8
149.04443	3.8
153.01892	0.8
161.02345	8.8
164.98177	4.5
165.01839	5.7
165.98979	5.0
168.91653	0.8
171.04398	1.7
173.04431	1.8
175.04013	1.4
177.98970	1.1
178.99803	2.8
179.03452	2.9
180.00540	1.7
181.01102	0.8
183.04506	1.3
183.13896	1.5
191.05562	2.3
193.01367	1.9
194.05901	1.3
199.03955	1.8
201.01935	0.7
215.03426	5.4
226.02623	1.0
227.03448	3.5
242.02264	1.1
243.03049	4.9
246.82405	0.7
254.02238	1.8
255.03088	4.6
257.04575	0.9
260.37921	0.7
269.04465	1.7
270.01688	2.2
271.02469	41.5
272.02988	4.3
282.01587	1.0
285.04013	2.2
286.04623	1.8
297.03983	3.0
299.01962	100.0
300.02393	12.0
313.03571	1.6
314.04303	83.7
315.04877	17.4
316.05371	1.7
329.06723	1.5
329.23441	2.0
375.27365	2.0
431.05554	0.8
459.09171	1.3
491.28409	9.8
503.12320	0.9
503.32242	2.3
519.31561	1.3
623.16119	65.8
623.31329	5.0
624.16534	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	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.9
57.03326	1.6
58.00479	1.6
58.89394	0.4
59.01250	38.4
59.03565	0.4
61.98706	1.9
68.84568	0.4
70.89014	1.3
71.01252	19.9
72.99197	2.0
73.02805	4.5
75.00787	0.7
83.01253	2.0
84.75853	0.4
85.02824	5.5
87.00777	1.8
89.02316	17.4
93.03351	0.7
95.01287	1.9
96.95915	1.8
99.00748	0.9
101.02319	12.8
104.68802	0.4
107.08530	2.2
113.02317	5.6
113.02978	0.5
114.45645	0.4
117.10751	0.4
118.17104	0.4
119.03387	5.0
119.08570	0.8
121.02860	0.7
125.02393	0.6
125.09595	2.0
127.11170	2.9
131.03421	0.9
133.02858	1.6
135.04442	1.7
136.01682	0.5
137.02325	0.8
137.09584	0.5
139.11211	0.4
149.04483	3.6
150.03006	0.4
151.03967	0.9
151.39809	0.4
155.10724	1.1
161.02338	3.3
161.04489	1.0
162.86067	0.4
165.09062	0.9
166.90663	0.4
171.10172	4.1
173.04524	0.9
177.01909	0.9
179.03395	2.1
179.05588	0.7
180.70161	0.4
181.12251	1.1
191.05621	1.5
198.95525	0.4
199.09760	0.8
201.11256	30.1
202.11676	1.4
221.15375	1.3
223.09665	0.5
225.11256	2.5
273.18497	1.2
291.19635	2.1
309.20670	4.2
310.21027	0.5
327.21851	1.3
357.15466	0.9
373.25836	2.3
442.31738	0.8
460.32501	0.5
471.25955	1.0
489.27026	100.0
490.27414	12.8
501.26968	0.5
519.28253	1.2
561.29071	0.6
579.30310	0.7
621.31256	32.9
622.30560	5.6
634.56714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66598	1.8
57.03319	2.6
57.40559	2.0
58.00465	2.1
59.01251	100.0
60.01580	3.4
61.98711	2.0
71.01257	45.1
71.50136	3.1
72.99197	3.9
73.02821	17.7
75.00732	3.0
83.01254	6.4
84.95220	1.9
85.02805	10.5
87.00744	3.9
89.02316	35.3
93.03326	3.5
95.01259	4.2
96.95880	6.6
99.00771	2.7
101.02327	29.5
113.02332	31.2
115.91983	6.4
119.03411	14.7
119.04904	2.4
126.69062	2.0
128.64621	2.0
131.03416	3.1
133.02846	5.7
134.03709	2.7
135.04387	6.3
137.02307	2.1
143.03401	5.7
147.80516	1.8
149.04507	9.8
149.05524	1.9
161.02388	9.7
161.04475	8.5
164.65619	2.2
165.03885	2.6
179.03365	5.9
179.05508	8.8
191.05479	10.6
196.03735	2.2
211.06021	4.5
251.07129	2.3
255.10399	2.3
357.09711	6.7
417.16498	2.1
459.16733	2.5
517.26422	29.9
518.27191	2.7
535.27612	25.8
536.27533	3.1
577.28577	9.0
621.17419	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	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14144	1.8
57.03303	2.2
58.00470	3.0
59.01249	100.0
71.01254	50.1
71.01627	3.6
71.49821	2.3
71.77042	1.9
72.99177	4.9
73.02810	10.7
77.59635	1.8
83.01269	3.3
85.02828	13.0
86.43684	1.8
87.00755	5.5
89.02319	47.5
93.03348	4.7
95.01251	2.7
96.95901	6.9
101.02324	24.2
113.02322	30.1
113.13144	1.7
119.03387	16.8
119.04931	4.4
123.04406	5.1
125.02306	3.0
131.03485	2.7
133.02869	12.0
134.03625	6.6
135.04413	12.6
143.03404	4.6
143.04953	4.5
145.02867	2.2
147.95277	2.1
149.02322	2.3
149.04504	8.9
149.05957	2.3
150.03105	2.1
151.02693	1.8
151.03900	5.2
154.71671	1.9
159.04449	2.2
161.02362	24.2
161.04474	5.8
163.03897	4.9
165.05533	2.6
165.55663	1.8
179.03435	15.6
179.05492	9.1
191.05606	11.5
193.05002	2.4
196.03658	3.2
251.07083	4.3
252.07736	2.4
255.02888	2.4
280.07367	7.3
295.09625	2.1
357.09805	45.3
358.10040	5.9
485.16483	3.3
489.14157	5.6
517.26453	30.4
518.26642	4.9
535.27570	22.7
536.27869	3.7
537.77039	2.4
562.59375	2.2
577.28687	5.9
621.18237	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	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	5.1
57.03316	3.8
58.02847	1.5
59.01251	100.0
61.98704	3.9
65.52467	1.5
69.03295	1.5
69.25171	15.2
71.01251	45.6
72.99164	2.0
73.02822	20.2
74.69135	1.7
75.00740	3.1
78.31046	1.4
83.01263	8.8
85.02825	21.8
86.57600	1.4
87.00729	4.3
89.02317	14.1
93.03342	3.1
95.01255	5.6
96.95883	28.4
96.96870	3.8
97.02845	2.2
98.02351	4.8
98.19840	2.8
99.00748	4.7
99.01857	2.7
101.02328	36.7
102.01806	2.3
109.02816	2.4
111.04433	1.6
112.01537	1.7
113.02334	21.3
119.03397	4.9
123.04411	3.2
125.02351	4.6
129.01799	1.7
131.03346	2.1
132.02032	2.5
133.02858	10.4
134.03606	3.4
135.04401	13.4
143.03421	4.3
149.04474	8.2
151.03888	6.0
159.02818	2.5
160.01582	9.6
161.02345	26.3
161.04422	11.3
165.03960	1.9
166.26993	1.5
173.04469	2.0
175.03938	10.7
177.01794	3.3
179.03406	16.0
179.10439	1.5
191.05537	5.9
193.05009	3.7
196.93077	1.6
197.04610	2.2
244.32536	1.8
255.03008	1.9
284.03311	2.5
339.04794	2.2
355.24905	2.1
373.22247	4.4
400.60391	1.5
415.19766	3.8
445.14883	3.8
477.14044	1.8
478.21432	1.7
489.26785	6.4
517.26495	74.1
518.26538	11.0
528.44409	1.7
535.27588	34.5
536.27917	4.2
577.28693	6.2
621.17181	7.1
622.17224	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16406	5.0
57.03317	6.0
59.01255	100.0
59.40695	4.5
61.98697	13.5
71.01255	46.9
71.50454	6.5
73.02810	24.7
76.78249	6.0
82.10034	4.4
83.01273	8.5
85.02824	15.9
87.00740	6.0
89.02312	24.2
93.03326	8.6
96.95898	40.9
101.02316	44.5
113.02323	17.4
119.03390	6.9
131.03337	6.3
133.02853	34.0
134.03613	5.9
135.04402	35.9
136.01546	51.7
140.50986	5.5
143.03291	6.5
149.04448	22.9
149.05705	5.4
151.03915	62.3
161.02382	75.5
161.04437	8.3
163.03856	8.6
166.02513	6.2
173.04459	7.1
179.03401	44.2
181.04942	9.7
181.12268	12.9
191.05664	26.3
192.72354	6.7
232.40703	5.5
244.07475	5.2
263.06998	5.9
281.08197	13.7
309.07562	34.7
324.09970	19.0
339.12469	42.7
346.68439	5.5
356.12701	6.6
357.13440	83.6
358.13818	11.1
373.13019	8.9
417.15958	26.2
489.19888	7.0
489.26996	35.2
517.30078	7.4
541.17328	13.6
579.30640	7.6
621.16870	6.5
621.32043	7.8
622.18719	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	621.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96726	2.0
59.01252	5.0
61.98705	3.3
78.95776	8.4
81.36945	2.3
93.60561	2.0
113.25109	2.3
120.97549	2.0
126.49122	2.6
135.04459	2.2
152.99464	4.7
161.02412	3.3
171.10236	2.0
197.46147	2.2
201.34154	2.3
255.23178	3.2
415.19205	2.7
428.16342	2.9
442.17841	3.5
443.18750	4.1
444.19653	8.5
445.20282	8.2
446.21204	5.8
457.20303	6.9
458.20786	8.0
459.22650	11.2
460.22873	3.5
461.16229	9.7
461.23178	4.8
471.17896	3.1
473.23563	4.8
474.21481	11.7
485.19830	13.9
486.20673	34.0
487.20981	6.3
488.18494	4.8
489.19037	14.8
489.23196	12.2
490.23914	2.9
501.15680	5.2
501.23001	100.0
502.23376	16.0
504.21204	2.7
516.17792	13.3
518.23315	14.6
519.23969	2.9
520.17700	3.7
527.20746	8.7
533.25958	25.7
534.25604	6.3
535.19867	9.3
544.21252	3.5
545.21930	53.6
546.22430	11.8
548.20807	17.4
549.20605	3.7
559.23199	12.5
560.23859	3.9
562.21936	10.8
577.24524	17.2
578.24316	3.1
587.12128	2.4
609.14453	2.5
621.23541	36.2
622.24304	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	621.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03319	2.3
58.00464	1.4
59.01250	34.7
61.98701	3.4
66.16425	0.4
66.74177	0.4
69.03312	4.0
71.01252	26.8
71.04883	0.7
71.51147	0.5
72.01607	0.4
72.99165	2.0
73.02817	5.5
75.00748	1.4
78.95774	0.6
81.03342	1.2
83.01260	2.9
83.04890	0.8
83.20786	0.4
85.02351	0.8
85.02826	7.6
85.06467	0.5
85.99938	0.6
86.98139	0.4
87.00750	6.2
89.02319	28.0
90.02621	0.4
91.03903	0.7
93.03341	1.6
95.01263	1.9
95.04894	0.7
96.95871	0.7
97.02836	4.2
99.00753	2.4
101.02323	20.0
109.02836	0.9
109.06498	0.6
111.00789	0.6
111.04402	0.9
111.21297	0.4
113.02335	11.8
116.24172	0.4
119.03394	7.8
121.02859	1.3
123.04393	0.9
123.07981	0.5
124.53012	0.4
125.02324	7.2
125.09631	0.7
127.03891	0.4
129.01845	0.7
131.03395	1.0
133.02847	4.0
133.04953	0.8
134.03616	0.8
135.04408	11.5
135.11705	0.6
137.02283	0.7
139.03847	0.7
143.03421	3.2
149.04465	2.0
149.09650	0.7
150.03104	0.6
151.03917	0.7
153.09073	0.6
157.05064	0.5
159.02969	0.4
161.02365	9.3
161.04431	5.1
163.03876	0.4
165.01825	0.6
167.10670	3.5
169.04974	0.7
173.04457	0.7
177.12808	0.7
178.02666	0.7
179.03412	16.2
179.05501	5.5
179.10686	1.3
179.14351	3.1
191.05534	1.5
194.05728	0.4
195.13847	11.7
196.14156	1.0
205.12265	10.2
206.12637	0.8
209.11748	0.5
221.06575	1.7
223.13344	100.0
224.13681	6.4
235.08171	6.3
253.09196	2.0
263.07666	1.1
271.02527	2.2
277.09338	0.5
287.07660	1.2
299.01968	2.9
299.05219	0.9
301.03537	0.8
305.08762	1.6
306.92825	0.4
313.03351	0.8
314.04315	2.3
315.05002	1.5
323.09875	1.3
326.03159	0.9
330.27319	0.4
356.57446	0.5
361.11575	0.7
373.25906	4.3
374.93353	0.5
379.12643	0.9
397.13470	56.0
398.13815	4.3
415.14548	28.7
416.14828	1.8
473.27509	1.5
477.10458	2.8
477.23447	0.6
489.27057	3.3
621.27350	7.1
622.18689	0.6
622.29010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.5
69.25595	4.3
69.25998	16.1
71.01257	7.9
85.02822	2.8
87.00758	3.8
89.02331	10.2
101.02359	3.5
101.03860	5.0
113.02328	3.2
115.00275	3.9
117.03326	2.2
119.04927	100.0
120.05263	3.3
134.03630	5.4
135.04402	1.9
149.04463	38.1
161.02374	3.4
161.04482	4.6
163.03928	31.7
169.45723	1.9
175.02422	5.2
192.13148	2.2
193.05009	5.7
197.83391	1.8
236.05159	1.7
269.13074	3.4
295.08362	5.8
306.45914	2.0
313.11963	4.1
325.09283	33.0
357.09747	2.3
407.19159	1.9
445.16266	3.6
504.60852	2.6
621.18854	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07328	0.7
59.01248	9.4
61.98697	0.8
63.12234	0.6
63.12853	0.6
68.06874	0.7
69.66545	4.8
71.01254	3.4
73.02811	2.7
85.02806	1.2
89.02305	2.9
94.22431	0.7
101.02319	3.3
107.24158	0.9
109.02843	2.2
111.00754	0.9
113.02285	1.9
119.03406	1.2
121.02813	1.0
123.00762	2.0
123.04295	0.8
125.02290	1.7
133.01939	0.8
133.02827	3.2
134.03604	0.8
135.04387	3.0
136.01524	2.1
137.02336	9.6
149.02379	1.4
149.04439	1.8
151.00270	20.2
151.03886	6.8
152.00949	1.3
152.04617	1.9
155.88188	0.8
159.04396	0.9
160.05220	1.1
160.66833	0.7
160.68143	0.7
161.02374	7.4
165.01808	1.4
165.03845	0.7
166.02625	60.0
166.63899	0.8
167.03264	4.1
175.03900	1.6
177.01855	2.7
177.78879	0.7
179.03423	4.7
181.04980	80.9
182.05301	4.5
184.03645	1.2
190.06343	1.1
191.03497	1.5
191.05548	2.3
192.04190	0.8
193.04901	1.1
195.02911	1.1
205.05013	0.8
205.08545	1.2
207.06578	1.6
211.07552	1.3
292.56656	0.9
301.12985	0.8
357.13412	6.1
359.11392	0.7
371.15149	0.7
384.90591	0.7
387.10760	15.3
388.11102	1.5
402.13141	7.1
403.13184	1.0
417.15521	100.0
418.15897	13.4
489.26758	1.7
621.18201	1.4
621.31207	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	620.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03318	0.8
58.00456	1.4
59.01249	26.8
60.01587	0.5
61.98386	0.6
61.98702	10.5
68.59748	0.4
70.02857	1.0
70.79977	0.8
70.80313	0.6
71.01254	16.0
72.01594	0.4
72.99179	1.6
73.02818	1.8
75.00761	0.7
78.95778	2.5
81.03322	0.5
83.01261	1.3
83.04884	5.2
84.02052	0.3
85.02824	4.8
87.00723	0.6
87.38631	0.4
89.02315	12.8
95.01257	1.0
96.08053	0.4
98.02361	0.9
99.00764	0.4
99.04358	0.4
101.02324	10.4
102.69072	0.4
108.08055	1.1
109.06448	2.1
112.10168	0.4
113.02316	5.0
116.92785	0.6
118.70112	0.3
119.03387	5.1
123.04414	0.6
124.07585	0.4
125.02390	0.5
126.09148	2.6
127.03845	0.5
129.97318	0.4
131.03400	0.6
133.02849	1.2
135.04436	2.2
136.07571	0.6
149.04437	1.5
151.03893	1.6
152.99487	1.7
154.08652	0.8
161.02359	3.9
161.04440	0.8
171.10179	1.7
172.05247	0.5
173.06023	0.6
179.03423	3.8
179.05396	0.5
179.10670	0.4
187.03978	0.7
187.07552	0.9
191.05515	1.1
197.19115	0.4
201.05492	1.9
201.09259	0.6
202.06218	1.2
207.10172	0.9
209.11775	2.6
211.13457	0.4
211.20534	0.6
215.07068	0.5
225.18578	1.0
227.12915	0.4
229.08664	3.3
230.09360	2.2
239.20088	1.6
241.21686	5.9
242.21965	0.6
269.21069	0.5
286.23773	1.2
287.22211	1.0
312.25323	0.9
328.24808	1.1
343.15363	0.5
344.16147	1.1
361.10541	0.7
363.12204	0.5
366.30121	1.3
396.31134	1.7
409.14899	1.1
414.32327	0.9
440.30414	0.4
451.15555	0.5
489.30658	0.7
576.37219	0.4
589.24084	0.9
620.36499	100.0
621.19000	0.8
621.29108	1.0
621.36896	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.80161	1.4
70.80509	1.1
77.53611	0.7
78.95763	7.2
80.50377	0.7
96.96820	0.9
135.33511	0.6
152.99466	3.8
171.20561	0.7
216.70663	0.7
249.29840	0.7
255.23259	4.0
391.22614	1.3
401.13971	1.1
409.23483	1.6
415.15549	2.9
416.16385	12.4
417.16779	1.5
429.17279	1.9
430.17908	3.1
431.18469	1.5
444.15683	1.1
458.16895	1.3
459.18237	100.0
460.18591	18.6
473.19882	13.0
474.20502	6.3
475.21066	1.1
501.19458	1.6
503.16913	3.4
518.19562	46.6
519.19867	7.1
532.21063	7.3
533.21918	80.7
534.22186	16.6
587.23187	6.0
588.23358	1.0
619.25635	65.4
619.35431	2.7
620.25897	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	619.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74315	1.2
61.98703	14.1
65.81315	1.0
68.70383	1.1
69.84387	6.4
75.39108	1.3
78.41426	1.2
78.95775	100.0
82.59294	1.2
83.04893	1.6
85.15119	1.1
96.96852	10.1
134.98387	1.3
152.99484	60.9
153.99776	2.3
163.11151	1.7
209.11769	25.7
210.12006	1.4
227.12868	6.4
255.23260	83.8
256.23605	8.4
257.23911	1.7
328.07892	1.3
363.12204	10.8
364.12799	1.7
381.13129	2.8
391.22537	25.6
392.22891	2.8
409.23511	14.3
410.23950	1.3
619.36066	40.5
620.36615	6.9
620.46063	1.1
649.29352	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	620.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57380	0.5
59.01254	13.5
60.01588	1.6
61.01677	0.9
61.98705	100.0
69.79388	3.4
71.01259	0.8
78.95778	0.9
83.04854	1.1
87.00787	0.7
89.02341	0.7
101.02344	0.6
101.46014	0.6
112.14671	0.6
113.02338	0.6
133.02910	1.5
135.04427	2.0
137.02414	0.6
141.97992	0.5
149.16426	0.6
161.02339	2.7
179.03471	1.8
191.05566	1.2
205.29866	0.6
232.81371	0.6
323.22150	0.7
470.23505	0.6
621.18671	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	620.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31467	0.4
55.01754	1.1
56.21276	0.4
57.03318	1.2
57.16999	0.4
58.00468	1.2
59.01251	26.3
60.01593	0.6
61.98704	14.0
70.02847	1.3
71.01255	14.8
72.01569	0.5
72.99181	2.0
73.02809	1.6
75.00742	1.6
78.95762	3.2
83.01257	1.4
83.04909	4.1
85.02821	3.7
87.00745	1.3
88.03868	0.7
89.02317	13.6
90.80904	0.4
91.40631	0.4
95.01279	1.1
95.96352	0.5
97.99136	0.4
98.02371	1.3
99.00768	0.6
99.04410	0.6
101.02325	10.3
108.08080	1.0
109.06474	1.6
113.02325	5.2
116.92814	0.9
119.03381	4.6
126.09129	2.8
127.03927	0.5
131.03358	0.6
133.02838	1.3
135.04425	3.3
137.59172	0.4
146.60780	0.5
149.04451	1.6
150.03136	0.5
151.03871	0.9
152.99510	1.8
154.08620	1.1
161.02345	5.3
161.04430	0.6
171.10175	4.9
172.05180	0.6
172.10500	1.1
173.05989	0.6
173.10605	0.6
174.03137	0.6
179.03423	4.0
179.04865	0.5
179.05574	0.6
183.99857	0.5
187.04036	0.7
187.07597	1.1
191.05545	1.2
196.09773	1.0
200.04651	1.0
201.05531	3.1
201.09105	0.7
202.06261	1.1
203.07018	0.6
207.10162	0.7
209.11754	2.5
210.12093	0.9
211.13301	0.8
211.20613	0.9
215.07063	2.3
229.08641	2.4
229.69215	0.5
230.09492	1.6
239.20016	0.9
241.21715	5.7
283.13287	0.7
286.23868	1.4
287.22293	0.7
301.14450	1.4
311.12909	0.6
312.25446	1.2
328.25177	0.7
341.25803	0.6
343.15222	1.1
344.16327	4.8
361.10373	0.7
361.16489	0.6
366.30203	0.6
393.29108	0.5
396.31079	2.0
409.15067	0.6
414.32104	0.7
440.30273	1.0
523.21777	1.2
589.24170	1.8
620.36517	100.0
621.18555	0.9
621.28729	2.7
621.37152	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	618.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43929	0.4
59.01251	7.6
61.98703	100.0
71.01270	0.7
71.50169	0.8
78.95771	4.4
85.02818	0.5
93.03321	0.5
99.48461	0.4
133.02872	0.5
138.76546	0.4
151.37935	0.4
152.99506	2.8
159.44312	0.4
171.10175	3.1
172.10680	0.5
173.04581	0.4
191.05579	1.8
209.11789	1.0
210.12161	0.7
217.95200	0.4
277.21790	0.8
307.09509	1.0
311.22522	0.5
325.10812	0.5
325.14481	0.5
447.21521	0.6
466.05548	0.5
468.27670	0.4
619.32574	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	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39858	1.7
59.07355	1.8
61.98699	3.6
62.24830	1.7
70.99215	2.0
78.95776	31.8
80.60305	1.7
83.83165	2.0
96.96866	3.8
113.69008	1.8
129.85757	1.7
130.54253	1.6
152.99492	21.9
164.52342	1.6
190.23804	1.8
200.17201	2.0
209.11827	7.4
211.13457	1.9
227.12921	5.0
255.23267	29.6
363.12299	4.1
391.22534	5.5
409.23666	4.9
416.16406	12.5
417.16403	2.6
452.55188	1.9
459.18253	100.0
460.18491	19.0
473.19855	15.0
474.20685	8.1
501.19397	2.3
503.17987	2.5
518.19556	50.9
518.27039	3.8
519.19891	10.1
532.21295	7.2
533.21899	93.4
534.22162	19.1
587.22974	5.6
619.25800	80.9
619.36023	12.6
620.26111	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	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58478	0.9
57.61976	0.9
61.98700	100.0
69.78188	1.7
69.78596	4.7
69.95947	1.0
78.95765	10.6
96.96896	1.0
105.57622	0.9
109.06436	1.0
115.22527	0.8
119.60657	0.8
152.99495	10.4
197.11746	2.0
207.10229	2.1
225.11339	3.1
237.42917	1.2
255.23256	17.9
261.96951	0.9
361.10416	2.4
391.22421	5.6
409.23499	2.8
549.94818	1.0
553.37494	7.9
554.37543	1.2
617.34375	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	617.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
59.01246	4.6
61.98687	0.4
67.15239	0.3
69.27444	2.7
71.01256	2.9
73.02805	1.2
80.02547	1.0
81.03325	1.1
83.01234	0.4
83.04899	4.4
84.02030	0.9
85.02810	0.9
85.52447	0.2
87.00757	0.9
89.02321	2.8
94.63846	0.2
95.01296	0.3
95.04898	0.6
97.02837	0.3
99.00756	0.4
101.02323	3.1
109.02821	0.3
109.06474	0.5
113.02338	1.9
119.03383	0.8
125.02319	0.4
125.05941	0.4
125.09578	1.3
127.11166	1.7
135.04440	0.7
135.08052	0.6
138.05539	0.3
149.04469	0.9
151.03900	0.4
153.09096	0.6
161.02327	0.4
161.04475	0.8
163.11191	3.5
165.12756	1.8
171.10176	100.0
172.10527	4.6
179.03458	0.4
179.05510	0.5
181.12230	0.5
191.05524	0.5
191.10709	1.1
203.10649	0.3
209.11766	88.5
210.12109	6.0
227.12833	11.4
227.15126	0.3
228.13214	0.8
231.10144	0.4
235.08182	2.9
253.09253	8.2
253.11922	0.4
256.54874	0.3
267.06528	0.4
282.08966	0.4
287.97141	0.2
407.19232	1.1
445.20737	1.1
579.90173	0.3
581.29773	0.3
617.31879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36777	0.2
57.03333	0.6
59.01250	100.0
60.01596	1.0
61.98706	0.8
70.41222	0.5
70.41597	0.4
73.02819	0.4
75.00741	0.3
77.15935	0.3
81.86684	0.3
83.04905	1.4
85.02833	0.3
86.34065	0.2
87.00711	0.3
92.23462	0.2
93.03323	0.4
137.02333	1.4
141.68939	0.2
145.08261	0.2
171.10170	2.2
172.29300	0.3
179.03467	1.1
199.09727	0.3
199.25775	0.2
209.11763	1.7
267.68542	0.3
280.32324	0.3
390.20691	0.4
420.22241	0.3
432.21484	2.9
433.22244	0.5
435.29242	0.4
447.20276	0.6
453.30307	0.6
495.31674	0.4
497.29266	0.8
513.32501	0.5
515.30475	1.1
516.31000	0.3
539.30048	0.3
545.10510	0.3
557.31335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.01250	100.0
60.01585	1.0
61.98686	1.8
65.65498	0.7
71.01261	1.6
71.04903	1.3
78.95785	1.1
81.03349	1.3
83.04922	0.8
85.02842	1.0
89.02368	1.2
97.06490	2.2
98.19802	2.2
101.02315	1.3
109.06499	1.9
125.09653	0.7
133.02858	2.3
134.03621	0.7
135.04424	2.0
141.00420	0.7
161.02318	5.2
162.02644	0.8
163.11186	1.9
171.10182	13.1
172.10512	1.1
173.05992	0.9
179.03474	1.4
183.11714	6.1
189.09190	0.8
191.05626	0.9
207.10228	7.1
209.11859	1.5
217.04956	0.8
220.10289	0.8
221.27974	0.7
223.13396	1.4
225.11374	4.3
227.10756	7.4
249.14752	1.3
249.40112	0.8
253.09386	1.4
267.16046	1.2
318.69687	0.8
373.53500	0.7
461.19873	0.8
479.07013	0.7
495.27481	11.2
496.28101	2.6
615.30365	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	615.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01588	1.2
61.98703	1.3
69.84090	0.9
69.84507	1.5
71.01242	0.4
73.02816	0.5
78.95776	1.1
97.06506	0.5
106.66804	0.4
109.06489	0.6
125.09705	0.5
152.99577	0.5
159.04308	0.4
163.11243	0.5
171.10156	2.7
179.03448	0.6
179.39366	0.4
181.10088	0.5
183.11732	0.6
207.10268	1.8
217.05022	0.6
225.11366	1.0
227.10796	1.2
249.07813	1.9
452.34018	0.4
461.19888	0.5
518.21820	0.6
531.79871	0.4
591.66644	0.5
615.31012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96018	0.9
57.03315	1.8
57.75654	1.0
59.01250	30.9
60.99178	1.0
61.98707	6.5
67.01755	1.3
71.01256	19.3
71.50138	1.2
72.99179	2.1
73.02818	14.5
75.00742	1.7
78.95774	1.2
83.01258	8.6
85.02813	5.6
86.58126	0.8
87.00755	6.2
89.02297	5.6
93.03329	3.1
96.95885	5.6
97.02866	1.8
99.00739	4.4
99.04374	1.0
100.01543	3.5
101.02330	16.3
111.00770	12.4
113.02338	6.7
113.99476	43.8
115.00272	17.6
119.03371	1.9
125.02305	2.0
128.01060	4.3
130.32011	1.0
131.03366	2.2
131.49828	0.9
133.02834	3.9
134.03636	4.5
135.04431	5.1
137.02330	3.1
139.00264	3.8
139.07593	1.0
143.03406	1.7
146.03462	1.1
149.02394	1.0
149.04462	4.1
150.03136	1.3
151.00307	1.0
151.03847	1.4
155.03369	1.6
156.00549	50.4
157.01346	4.6
161.02336	7.0
161.04459	3.3
165.05473	1.4
173.04454	4.8
174.01617	100.0
175.02333	6.8
178.02592	2.8
179.03401	3.1
179.05426	1.0
180.04037	0.9
181.27353	1.0
182.43982	0.9
191.05536	10.6
191.10774	1.2
193.04991	3.8
202.06267	1.0
221.06548	1.7
223.06003	1.1
231.10201	1.5
231.13797	1.3
279.12463	1.4
287.16449	4.9
307.15643	1.1
315.10257	1.0
411.16690	1.2
460.61569	1.0
461.34109	1.1
471.22025	1.4
509.23898	1.4
511.21738	9.1
512.22394	1.6
553.23456	1.1
573.21472	1.4
615.22583	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	615.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99281	0.3
57.03336	0.4
57.90751	0.3
59.01248	100.0
60.01584	0.8
61.98705	0.9
69.71981	0.3
70.75668	0.6
70.76011	0.4
71.01255	1.1
73.55625	0.3
76.53584	0.3
81.33199	0.2
83.04876	0.4
85.02877	0.3
89.02341	0.5
90.89063	0.3
97.02808	0.3
99.63811	0.2
101.02307	0.6
109.06487	0.8
111.00831	0.3
113.02365	0.7
133.02849	1.8
135.04440	1.1
137.02264	0.3
154.43347	0.3
161.02344	4.5
163.11243	0.7
171.10179	5.5
179.03378	1.4
183.11630	0.3
202.06313	0.4
203.03464	0.3
203.06921	0.3
205.01363	0.3
207.10184	2.6
208.10539	0.4
209.11729	0.4
211.13403	0.6
217.05125	0.3
225.11273	2.0
249.07722	1.2
253.09222	0.7
293.21222	0.4
327.16306	0.3
334.12512	0.8
343.12991	0.7
343.63293	0.3
407.15314	0.3
407.65314	0.3
461.18225	0.5
518.22369	0.3
597.29102	0.3
599.27679	0.5
615.29980	1.9
616.30579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62041	0.3
57.08238	0.3
59.01253	3.2
59.95531	0.3
61.98702	1.5
63.02277	0.6
65.00204	0.8
69.98300	0.4
69.98583	1.7
71.01257	2.3
73.02821	0.9
75.02067	0.3
83.01273	1.0
85.02838	1.5
88.98684	0.4
89.02321	1.5
93.03331	1.0
96.95890	4.2
97.02851	0.5
100.81131	0.4
101.02323	1.5
107.01273	2.3
108.02029	0.5
109.02854	1.2
111.04388	0.4
111.08081	0.4
113.02339	0.9
119.03407	0.6
119.04929	0.6
121.02860	1.1
125.02353	0.5
133.02820	2.6
134.03633	1.4
135.00783	0.8
135.04408	3.9
137.02388	0.4
141.09221	0.4
143.03383	0.5
143.04939	0.7
147.00813	0.5
149.02365	0.8
149.04420	1.2
150.03120	0.8
151.00261	4.5
151.03960	0.7
157.02940	0.7
161.02339	2.5
161.04410	0.8
163.00342	0.5
163.03940	0.8
165.05502	0.8
169.01344	0.5
170.03564	0.4
171.04451	2.1
173.02299	0.4
173.04478	0.9
173.08081	0.6
175.03969	1.9
178.99780	0.7
179.03377	2.1
183.04422	0.6
185.02306	0.4
187.03928	1.5
191.05542	4.9
193.04921	0.6
195.06688	0.4
197.02402	0.5
198.03133	1.0
199.03926	5.4
200.04245	0.6
201.01878	1.5
203.03485	0.8
203.05527	0.8
209.08101	0.4
211.03848	0.4
213.01762	0.3
213.95235	0.3
215.03476	1.8
221.06622	0.5
223.06023	0.9
225.01866	0.4
226.02678	1.7
226.73164	0.4
227.03444	3.3
229.04990	0.7
241.01555	0.5
242.02153	0.6
243.02959	6.5
247.11206	0.3
254.02122	1.0
255.02966	5.2
271.02472	53.5
272.02832	4.9
299.01959	100.0
300.02615	28.6
301.03442	7.9
302.03860	0.4
390.86099	0.4
483.18900	2.3
486.03189	0.4
518.16095	0.4
615.22809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05790	0.3
59.01249	5.1
60.29884	0.4
61.98697	2.4
63.02270	0.8
65.00208	1.1
69.03336	0.4
69.16920	1.3
69.17339	3.0
71.01256	4.4
72.33620	0.4
72.99181	0.6
73.02833	1.2
79.95604	0.4
83.01257	1.2
85.02831	1.7
87.00753	0.9
89.02327	1.8
93.03362	1.3
95.01287	0.5
96.95886	5.7
97.02869	0.6
98.20567	0.8
99.00765	0.6
101.02344	2.6
105.11476	0.4
107.01295	1.4
108.02056	0.7
109.02814	1.9
113.02328	1.2
117.03304	0.4
119.01299	0.5
119.03384	0.8
119.04922	1.1
121.02847	1.0
123.04383	0.7
125.02361	1.0
131.03391	0.4
133.02867	3.3
134.03656	2.1
135.00789	0.4
135.02876	0.6
135.04407	5.1
137.02321	0.5
141.09113	0.8
143.03386	0.6
143.04910	0.8
145.02890	0.5
147.04416	0.6
149.02335	0.9
149.04457	1.9
150.03120	1.6
151.00264	4.4
151.03937	1.3
157.02917	0.4
159.04395	0.5
161.02354	4.5
161.04477	1.3
163.03929	0.9
164.04707	0.4
165.05449	0.9
171.04420	2.7
172.04860	0.4
173.02354	0.8
173.04498	1.4
173.08044	0.5
174.03194	0.5
175.03926	1.3
178.02779	0.4
178.99829	0.9
179.03416	3.1
179.05518	0.7
180.03900	0.4
181.05153	0.5
183.04424	0.4
185.05994	0.5
185.08060	0.6
187.03926	1.1
189.05443	0.5
191.05534	6.6
194.05963	0.4
195.06596	0.9
196.65305	0.4
198.03194	0.5
199.03937	5.1
201.01828	1.4
203.03496	0.9
203.05563	1.1
209.08075	0.6
213.01778	0.5
215.03445	2.2
221.06705	0.6
223.06117	1.6
224.09946	0.4
226.02661	1.5
227.03456	3.9
242.02182	0.8
243.02965	7.1
244.03252	0.6
254.02174	1.0
255.02943	5.0
256.03455	0.5
267.12354	0.4
271.02466	52.0
272.02850	5.2
299.01950	100.0
300.02606	27.2
301.03442	7.2
305.08755	0.5
315.10876	1.0
348.81934	0.5
353.08862	0.7
435.69095	0.4
460.62170	0.5
483.18683	3.7
567.21344	0.4
610.11456	0.5
615.15118	0.7
615.23468	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	613.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99730	0.3
53.16291	0.4
54.10513	0.4
54.68057	0.4
59.01241	1.5
61.98714	1.1
67.01776	1.0
71.01258	1.1
87.00764	1.5
93.03342	4.8
100.97089	0.4
101.02315	0.8
109.02850	1.1
121.02853	4.9
122.03633	12.2
123.00789	1.4
123.04398	0.7
124.01602	0.6
125.02355	0.8
133.02855	1.9
134.03627	0.8
135.04471	1.1
136.01530	2.9
137.02350	9.3
137.03346	0.8
137.05968	0.4
138.02896	0.4
139.00223	0.5
143.03355	0.5
149.02347	18.3
150.03127	90.2
151.00284	3.4
151.03586	4.4
161.02362	1.0
161.04466	0.5
162.03014	0.5
163.03909	0.6
164.04727	3.3
165.01837	35.1
165.05476	100.0
166.02631	9.9
166.05797	5.2
167.03201	0.7
172.05251	0.5
173.04463	1.3
173.05846	0.4
175.03979	0.5
177.01921	1.3
177.05423	0.6
179.03421	5.4
180.04195	23.7
181.04984	14.2
187.03931	1.0
187.07498	0.6
189.05473	0.7
190.06392	1.0
191.03909	0.4
191.05496	2.5
193.04880	0.4
194.05843	0.9
195.06551	93.0
196.06865	5.6
201.05499	1.3
205.05028	1.9
210.05304	3.7
214.06308	0.7
215.07021	0.6
220.07368	1.1
221.08250	0.8
225.07623	24.3
226.07935	1.6
230.09370	1.0
329.10489	0.5
339.08646	0.6
343.11789	1.2
357.09451	0.8
357.13416	1.9
372.11938	0.8
387.10840	1.3
387.14670	11.7
388.14758	1.2
402.13046	1.3
403.13876	3.6
417.15515	13.0
418.15695	1.4
535.19702	0.8
565.20667	2.6
613.22583	1.0
637.48694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26403	0.6
59.01256	1.6
61.98693	1.2
64.86252	0.5
67.01775	1.2
70.63151	0.8
70.63507	1.8
71.01257	1.0
72.99191	0.8
77.57993	0.6
81.03345	0.8
85.02812	0.6
87.00756	2.1
93.03349	6.0
95.01253	0.8
95.04948	0.7
98.20519	0.6
108.02063	0.8
109.02837	4.1
121.02844	8.8
122.03645	14.7
123.00781	1.7
123.04430	1.3
124.01581	0.9
133.02840	2.0
134.03658	1.2
135.04427	2.7
136.01559	7.1
137.02353	19.6
138.02678	0.6
139.03920	1.6
147.04420	0.9
149.02347	26.1
149.06000	0.7
150.03130	86.9
151.00272	7.7
151.03912	11.0
152.01004	1.7
152.04680	3.0
159.04364	1.2
161.02345	2.0
161.05867	0.7
162.03152	1.5
163.03900	1.2
164.01112	1.0
164.04745	4.5
165.01843	45.8
165.05479	100.0
166.02623	20.9
166.05757	5.2
167.03413	3.0
172.05273	0.8
173.04498	1.8
174.03053	0.6
175.03934	3.5
176.04607	1.1
177.01891	1.6
177.05515	2.9
178.02626	1.1
179.03413	11.0
179.06966	1.1
180.04199	29.2
181.04982	22.1
182.05315	1.1
183.03983	0.7
184.03714	1.1
187.03931	2.8
189.05504	1.6
190.02628	0.8
190.06267	2.3
191.03526	1.3
191.05519	3.3
192.04181	0.9
193.04982	1.6
194.05780	1.8
195.06557	89.5
196.06886	5.2
201.05444	1.1
202.06290	0.9
203.06801	0.7
205.04976	6.2
205.08615	0.6
206.05598	1.0
207.06514	1.0
210.05333	4.8
220.07381	4.2
221.08058	1.1
225.07625	28.3
226.07910	1.3
228.64044	0.7
229.08618	1.1
230.09331	0.7
235.09709	1.2
266.05658	0.6
282.05463	1.1
297.07745	0.9
315.08585	0.8
329.10284	3.3
339.08826	1.0
341.10352	0.6
342.10950	0.7
356.12708	0.8
357.09625	1.4
357.13370	3.9
359.11298	1.4
371.11160	1.1
371.15277	0.8
372.11990	1.8
373.12982	1.5
386.13422	1.8
387.14636	23.5
388.15115	3.3
402.13254	1.4
403.13977	3.1
416.14868	0.8
416.41321	0.7
417.15527	31.4
418.15549	3.5
423.65646	0.6
507.17047	0.9
535.19055	5.9
536.19775	1.0
547.19452	1.9
550.18384	1.7
565.20752	68.6
566.21185	12.0
566.29523	0.4
583.21326	0.7
595.23834	1.0
613.22461	4.3
614.22504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76501	1.0
55.01756	2.8
57.03323	1.7
58.00443	1.6
58.16027	1.0
59.01254	77.0
60.01585	2.3
61.98693	7.9
69.03316	3.9
71.01257	75.4
71.50164	1.2
72.01582	1.3
72.99192	5.2
73.02821	35.6
75.00742	1.5
81.03321	2.5
83.01268	14.7
83.04886	1.7
84.02068	1.1
85.02822	14.4
87.00751	8.3
88.87067	1.2
89.02322	53.4
89.49274	1.1
93.03329	3.6
95.01257	7.0
97.02832	24.2
99.00758	4.2
99.04403	1.3
101.02330	83.1
102.02666	1.1
109.02851	1.2
111.00748	2.5
111.04427	2.4
113.02335	29.9
115.03918	6.0
119.02596	1.7
119.03400	21.7
125.02367	5.7
131.03389	7.2
133.02866	1.4
135.04430	4.8
143.03406	18.0
146.03587	1.4
149.04457	4.6
149.53621	1.1
151.00247	1.6
155.03398	4.9
155.10651	1.1
161.02307	3.4
161.04474	100.0
162.04810	3.1
163.03889	1.1
164.04660	2.3
173.04309	2.1
179.03476	7.5
179.05521	41.1
179.06995	3.4
180.05850	2.5
187.07608	2.9
191.05534	11.1
194.05696	5.8
195.06517	1.5
202.06323	1.9
207.38567	1.1
209.08180	3.2
219.13744	2.0
221.06570	13.2
231.10182	1.5
237.14894	1.7
243.02983	1.3
255.03030	1.6
263.07715	21.6
271.02505	3.8
272.02936	2.3
281.17606	1.2
287.18637	2.6
299.01883	1.7
299.18634	4.1
300.02606	2.9
301.02930	2.2
302.03351	1.5
304.55408	1.0
315.01682	1.5
315.04984	2.3
316.05188	1.8
317.05756	2.3
317.19656	4.4
337.09164	2.1
341.10825	4.7
371.15100	1.4
411.16681	5.7
431.22980	2.5
449.24008	3.1
475.16003	1.5
479.20724	3.3
479.26022	1.8
611.16248	5.7
611.29199	83.1
612.29529	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	611.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05807	1.1
52.79037	1.0
57.03316	1.4
59.01252	7.3
61.98713	8.6
67.76035	1.0
71.01247	2.4
71.50553	1.3
72.99196	1.2
78.95780	55.4
80.96404	1.9
83.04874	1.3
89.02369	1.1
93.03352	1.7
96.96852	8.9
99.04380	1.3
113.09614	1.6
123.04433	0.9
135.04378	1.8
135.74533	0.9
151.03899	1.3
152.99498	61.3
161.02383	1.3
171.00545	2.2
173.04469	2.1
179.03448	1.8
191.05566	2.8
195.13870	17.0
196.14342	1.3
207.10336	1.1
209.11809	2.0
223.00084	6.9
241.01155	25.4
259.02200	1.1
277.21741	13.4
278.22147	1.3
295.22794	57.1
296.23175	4.9
311.75662	1.2
315.04889	9.3
335.42621	1.1
486.91910	1.0
525.18549	2.7
611.28424	100.0
612.28711	18.9
626.87415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05518	0.6
57.03305	1.0
59.01249	4.9
61.28131	0.5
61.98703	3.9
67.97307	0.6
69.44841	4.3
71.01250	2.0
71.55229	0.5
78.95773	52.6
79.15283	0.6
79.95573	0.5
80.96381	2.2
82.95961	1.0
95.04874	0.6
96.96839	10.1
97.06488	0.8
98.19808	1.2
101.02322	1.0
101.05653	0.6
110.08749	0.8
113.09597	2.1
133.02834	1.2
135.04416	1.7
136.01563	1.3
137.02269	0.7
139.43047	0.6
144.01324	0.6
150.97911	0.9
151.03918	2.2
152.99487	66.6
153.99777	0.8
161.02275	1.7
166.02621	0.9
171.00537	1.7
171.10242	0.7
179.03386	1.7
179.14366	1.2
181.04970	2.5
181.12227	0.9
191.05536	1.2
195.13832	16.7
196.14218	0.6
223.00104	6.7
225.00661	0.6
241.01138	23.3
242.01595	1.0
259.02148	1.6
264.29135	0.6
277.21719	14.5
278.22098	1.6
295.22769	53.8
296.23129	5.5
306.07956	0.7
315.04852	10.4
323.71365	0.8
333.05957	1.2
333.13110	0.7
387.14453	3.8
449.98862	0.7
525.18719	2.2
565.21857	1.8
611.28314	100.0
612.28699	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	611.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.3
58.00451	3.7
59.01253	100.0
61.98694	22.3
66.38186	2.7
67.01757	2.8
67.48156	2.8
68.99684	5.0
69.93180	7.1
69.93574	8.0
71.01255	70.8
72.99187	8.5
73.02814	31.9
75.00746	10.8
78.95720	2.8
80.96396	3.2
83.01269	8.7
85.02821	28.0
87.00761	13.7
88.98683	3.4
89.02329	39.5
90.37807	2.9
93.03340	10.9
94.98000	3.3
95.01256	11.0
99.00759	3.8
101.02330	40.8
103.00256	4.4
103.03917	4.2
105.01794	3.5
108.02042	10.0
111.04379	3.6
111.45864	2.8
113.02331	48.9
119.03387	14.1
120.19190	2.8
121.75983	2.7
123.00746	5.6
123.04402	13.3
124.54376	2.6
125.02328	5.2
133.01323	4.5
133.02843	8.3
134.03630	4.0
135.04408	9.4
135.08043	3.5
136.01556	2.9
137.02365	5.3
138.03133	20.4
143.03439	6.0
145.08267	2.8
149.04459	8.8
150.03116	9.1
151.00253	3.8
159.04427	4.8
161.02370	15.9
161.04457	9.8
162.03119	16.1
163.03865	8.4
165.03937	10.9
165.05321	3.7
166.02644	5.2
167.03429	4.1
172.05206	7.1
173.04454	15.2
173.05997	8.3
174.03224	3.5
174.06715	4.5
177.05466	20.8
178.02649	15.9
179.03439	10.3
179.05524	6.2
181.05057	5.8
186.06847	5.5
187.03912	11.6
187.07568	18.6
191.05553	36.7
193.04985	36.5
200.04683	9.2
201.05510	33.9
201.09164	12.1
202.06281	23.0
203.06979	9.1
215.06973	4.0
228.13663	3.6
229.08696	70.7
230.09451	50.8
231.09930	11.5
247.09634	4.9
271.02472	4.0
272.02856	3.6
408.56601	3.1
409.15216	4.8
410.21487	3.4
434.15375	4.6
451.16080	23.3
452.16898	21.7
479.30463	4.8
507.22336	4.1
531.22150	3.3
549.23456	4.4
611.13000	3.7
611.23938	8.8
611.35059	18.3
612.22998	4.3
612.34528	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2133
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
59.01254	16.0
61.98671	4.1
66.68138	1.1
68.99693	13.6
69.20652	13.7
71.01246	8.1
72.00729	1.0
72.99164	2.0
73.02793	4.9
75.00748	6.0
78.54433	1.3
81.03284	1.5
83.01228	1.2
85.02823	6.1
87.00729	2.8
89.02293	2.6
93.03296	3.7
94.86616	1.4
95.01221	4.4
101.02310	6.2
103.00193	1.9
105.03316	1.6
109.02781	4.9
113.02283	5.2
121.02781	3.1
123.00758	11.5
124.01540	1.3
125.02328	8.8
129.01688	1.1
133.02791	4.6
134.03629	1.6
135.04390	7.3
136.01563	14.1
137.02370	7.5
138.03152	20.3
139.03873	2.6
141.01880	1.2
143.99481	1.2
145.02693	1.2
147.00703	1.5
148.01445	1.2
149.02281	2.8
149.04410	1.7
151.00226	3.3
151.03923	16.1
152.06894	1.3
153.01862	14.4
153.05478	31.8
154.05690	1.4
158.07019	1.3
159.04471	1.3
160.01523	2.1
161.02348	16.0
161.04396	1.5
162.02924	2.6
163.00191	2.6
163.03865	2.1
165.01840	12.3
165.03958	12.8
165.05287	1.9
166.02666	8.0
168.04201	48.0
169.04491	2.9
171.10077	4.7
173.04488	2.8
173.05898	1.9
175.00293	8.3
175.03835	1.9
176.01056	21.2
177.00540	1.2
177.01842	16.6
177.05309	1.7
178.02650	11.7
179.03453	8.3
180.03986	4.0
181.04939	11.4
187.03827	1.7
187.07486	2.3
191.03319	25.2
191.05408	15.9
192.02603	1.8
192.04219	32.8
192.05899	3.2
192.99608	1.3
193.01346	26.7
193.04953	13.9
194.01761	2.0
195.06499	1.7
201.05406	3.5
201.09041	1.4
202.06178	4.8
203.06825	2.5
205.04909	2.6
207.06560	42.3
208.03714	36.6
208.06815	4.2
209.04420	6.5
211.13179	1.7
214.23122	1.3
223.06073	100.0
224.06549	9.2
225.07555	2.2
229.08736	9.5
230.09355	7.7
238.04597	4.6
300.11224	1.3
357.09558	5.2
359.46017	1.2
372.11951	2.7
387.14560	15.9
388.14587	1.8
407.14923	4.9
416.15628	4.6
419.21490	2.5
432.59171	1.5
451.15582	4.8
452.16437	3.9
476.59399	1.3
511.80060	1.4
534.19788	4.1
534.70135	2.7
581.19690	3.3
611.20978	45.6
612.21466	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	611.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.3
60.74710	0.6
61.84334	0.6
61.98709	1.1
63.02264	1.3
65.00184	3.1
67.01780	0.7
68.99673	0.8
71.01255	0.9
71.07266	2.0
72.99174	0.7
76.21500	0.7
83.01264	1.5
85.02840	0.8
87.00766	1.0
89.02336	1.3
93.03315	1.1
95.01263	1.9
107.01257	3.8
108.02106	0.8
109.02831	4.3
109.99974	5.9
111.00758	3.0
121.02782	1.6
123.00748	4.5
124.01567	2.9
125.02319	3.0
133.02824	1.7
135.00775	1.2
135.04413	2.9
136.98682	1.4
137.02289	1.9
137.99489	2.3
139.00262	7.0
143.08728	0.8
145.02867	1.0
148.01555	0.9
149.02336	1.5
150.99147	1.3
151.00279	15.9
152.01080	5.2
153.01785	1.3
155.03441	1.0
155.04935	0.7
159.04401	1.7
161.02362	2.3
163.00250	2.8
164.01016	2.0
165.99001	7.7
166.99797	5.9
171.04440	1.0
173.04477	1.0
174.03094	1.4
175.00327	0.8
175.03989	0.9
176.00992	1.2
178.99773	11.8
180.00293	0.8
180.40675	0.7
181.01257	0.8
183.04373	1.7
185.02419	0.8
187.03958	4.4
187.06044	1.1
187.07535	7.2
189.01781	1.4
190.02516	1.0
191.05519	4.1
193.01169	1.2
194.99345	1.1
198.03113	0.9
199.03966	4.7
201.01875	3.2
201.05579	1.2
202.02614	1.1
202.06239	1.6
203.03398	2.8
205.01385	1.1
206.99268	3.2
208.00006	1.4
211.03864	1.4
213.01849	1.2
213.09290	0.9
214.02621	3.9
215.03470	3.7
216.04118	2.2
217.01518	1.1
219.02798	1.0
226.02568	1.5
227.03445	7.4
229.01440	1.7
231.02895	4.1
231.10194	2.2
232.03696	1.1
242.02173	5.9
243.02928	10.0
244.03574	2.2
245.00980	0.9
245.04486	2.2
254.02065	0.9
255.02965	9.3
259.02524	4.8
260.03049	1.8
270.01703	8.6
271.02478	46.4
272.03061	9.6
273.04016	5.1
274.04434	0.7
275.09290	0.8
285.03833	1.0
287.02032	16.0
287.05493	2.5
288.02658	9.1
289.03262	1.3
298.01163	2.8
299.01962	47.9
300.02545	8.1
301.03235	3.6
302.03418	1.8
315.01331	3.0
316.02219	63.8
317.02945	40.9
318.03275	2.7
341.02823	0.9
437.14417	1.2
449.10678	1.4
567.12915	1.5
593.11371	4.5
611.12457	100.0
612.03760	1.3
612.12939	16.4
639.85657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.6
59.01250	14.4
60.01588	1.1
60.99157	1.2
61.98702	9.8
62.38139	0.5
63.02269	0.9
65.00205	0.9
67.01768	0.8
69.32684	0.7
69.33076	4.6
71.01260	6.4
72.99199	2.6
73.02807	2.1
74.02373	0.7
75.00747	2.1
83.01256	1.3
85.02834	3.7
86.02328	0.6
87.00757	2.6
88.98674	5.8
89.02323	4.6
91.97134	0.5
93.03339	4.5
95.01283	0.7
95.04874	0.8
96.95879	1.1
97.02811	0.8
98.19787	0.6
98.89885	0.5
99.00735	0.8
101.02329	4.2
103.03890	1.0
105.03350	1.0
107.01287	1.2
109.02824	2.0
109.06428	0.7
111.00776	1.2
111.04436	1.3
113.02308	1.5
119.03395	0.9
119.04942	0.6
123.00761	0.6
123.04423	0.6
125.02354	0.9
128.03465	0.6
131.03378	0.7
133.02853	8.4
134.03632	0.6
135.04404	3.6
137.02287	1.1
143.04710	1.3
145.02890	0.8
147.04424	1.6
149.04488	5.1
151.00305	3.0
151.03888	0.5
155.03328	0.7
157.02843	1.3
159.04385	1.0
160.00641	1.0
160.05162	0.6
161.02338	2.1
161.04485	1.2
163.03877	0.8
165.04018	0.8
171.04373	2.6
172.05092	0.9
173.02335	1.3
173.04521	5.6
174.03172	0.6
175.03920	2.2
177.01871	4.4
178.02585	0.6
179.03452	1.7
185.02336	1.0
187.03935	2.3
187.07626	1.1
188.04626	1.1
189.05414	0.6
191.05562	12.0
198.03204	0.9
199.04007	6.7
200.04611	0.8
201.01907	3.0
201.05394	0.9
202.06262	0.7
203.03439	2.1
203.07101	0.9
215.03447	2.5
216.03589	0.6
226.02669	1.3
227.03445	4.1
229.08594	1.3
230.09546	0.7
231.06589	0.7
242.02052	0.8
243.02985	4.3
253.04802	1.2
255.02956	1.5
271.02469	48.7
272.02811	3.2
272.08853	0.7
278.07919	1.0
278.53867	0.7
295.05646	0.6
299.01965	100.0
300.02359	11.2
301.03027	0.9
302.03665	0.9
306.07657	4.0
309.06342	0.7
350.05090	0.7
362.30225	0.7
418.63943	0.6
506.33813	4.7
507.34341	2.1
524.35089	1.6
525.35815	0.6
549.23425	1.3
611.15515	2.4
611.32983	0.7
612.20319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.5
61.98699	3.0
68.99676	2.3
71.01258	3.4
71.49699	3.3
78.95765	4.2
85.02829	2.1
95.04899	28.0
171.10153	4.2
173.04474	4.2
188.55963	1.9
191.05592	2.9
195.13853	9.6
209.11751	2.9
211.13321	2.3
223.13341	19.0
225.11232	1.9
233.30380	1.9
246.12302	11.4
271.02411	4.1
275.20178	3.3
278.08487	3.7
278.11374	59.1
279.11618	5.3
293.21219	100.0
294.21509	7.6
300.02789	5.5
301.03189	2.3
311.22308	3.1
315.19415	25.3
316.19824	3.1
329.23224	2.4
367.45035	1.9
498.53534	1.8
572.32135	5.0
609.14142	4.3
609.42334	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	611.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.4
58.02835	0.8
59.01245	5.7
61.98425	0.5
61.98703	5.9
63.02279	1.0
65.00195	1.2
69.03332	0.4
69.79838	2.1
71.01258	2.2
71.55054	0.3
72.99200	0.7
73.02818	0.9
74.02335	1.5
75.00733	0.9
82.26093	0.4
83.01258	0.9
85.02840	1.2
86.02374	0.7
87.00746	1.2
87.05546	0.4
88.98670	1.7
89.02318	2.1
91.01697	0.4
93.03333	1.3
95.01250	0.6
97.06493	0.4
98.20566	0.7
99.05529	1.3
101.02325	1.5
105.03355	0.9
107.01270	1.5
109.02834	1.7
111.04402	0.5
113.02347	0.9
118.97955	0.8
119.03373	0.6
119.04914	0.4
123.04397	0.4
125.02339	0.6
128.03433	3.8
131.03445	0.5
133.02847	8.1
135.00752	0.5
135.04382	1.7
135.05351	0.4
141.32568	0.4
143.04501	5.0
145.06270	0.4
147.00781	0.5
147.04405	1.0
149.04459	3.1
151.00313	1.9
157.02818	0.9
159.04453	0.4
160.00606	1.3
161.02315	2.6
161.04466	0.4
163.03946	0.5
167.02403	0.5
167.04561	0.4
171.04399	2.5
173.02307	1.0
173.04465	1.2
173.05931	0.5
174.03134	0.5
175.03918	2.0
177.01849	3.9
179.03271	0.8
179.04619	0.9
183.04420	0.7
187.03868	2.0
189.05443	0.5
191.05536	4.9
197.02390	1.1
198.03084	0.8
199.03944	7.1
200.04028	0.6
201.01854	3.1
201.05412	0.5
203.03459	1.1
210.08849	0.9
211.13388	0.8
213.01912	0.5
215.03445	2.8
226.02603	1.1
227.03458	3.6
233.08127	0.5
242.02138	1.0
243.02901	5.0
244.03394	0.4
253.04648	0.8
254.07843	2.1
255.02907	1.9
271.02472	49.2
272.02786	4.8
272.08905	2.6
273.02798	0.6
282.01645	0.7
283.02322	0.5
288.06580	1.1
299.01950	100.0
300.02362	9.1
301.03027	1.1
301.20236	1.1
302.03354	0.5
303.03940	0.4
306.07660	9.4
384.04306	0.4
420.30411	0.4
457.36282	0.5
463.25674	0.8
506.34088	1.7
524.34943	0.6
549.23431	0.8
611.14996	2.5
611.30737	0.9
612.21332	1.8
614.95856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69920	1.6
57.03316	7.0
58.00470	2.0
59.01250	100.0
60.99173	3.1
61.98431	2.2
61.98707	23.9
67.01735	2.1
69.03328	3.9
69.29246	9.9
69.29666	5.4
71.01249	26.2
72.93993	1.7
73.02824	8.9
75.00719	4.3
81.03323	2.3
82.78206	1.6
83.01253	4.4
83.04842	1.9
85.02829	19.9
87.00742	10.5
88.98669	12.4
89.02299	11.0
93.03334	10.6
95.01270	4.5
97.02842	3.6
98.19844	3.9
99.00777	3.2
101.02318	15.6
106.61049	1.6
108.02071	2.1
109.02832	4.0
111.00745	3.9
111.04427	3.0
112.01537	2.6
113.02331	12.6
119.03390	3.3
125.02325	3.8
129.01862	1.7
131.03387	2.9
133.02876	1.8
134.03645	2.7
135.04411	5.4
147.04396	2.0
149.04443	7.8
151.00287	6.9
157.12263	3.8
159.04424	2.2
161.02318	4.7
161.04463	3.8
163.00252	1.9
165.03967	9.8
171.13684	1.7
173.04463	11.2
174.03117	1.8
178.99707	4.1
179.03436	3.1
179.05496	2.9
179.07010	1.7
187.07468	2.3
191.05540	25.3
192.98523	1.7
195.06421	1.8
201.14824	2.5
203.03435	1.7
206.35878	1.7
211.13412	9.7
215.03314	1.6
227.03389	4.7
243.02954	5.0
243.19553	2.2
255.02917	17.4
266.05551	2.2
271.02454	42.3
272.02771	5.0
294.05179	2.0
299.01990	15.6
300.02713	62.4
300.06143	3.3
301.03397	25.3
302.03928	2.4
314.04276	5.9
315.05014	6.6
315.25314	2.2
361.29556	10.2
397.13254	2.7
415.14697	1.9
435.10712	2.4
477.28177	6.9
505.33807	83.2
506.34131	13.4
507.28168	4.0
512.09796	2.1
523.34882	27.4
524.34973	4.9
565.35687	9.4
609.14545	65.4
609.29797	5.4
610.14911	12.5
625.50134	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.4
57.03322	7.2
59.01254	99.4
60.40533	2.0
61.98703	20.7
71.01256	18.8
72.99162	3.1
73.02813	6.9
75.00747	8.0
80.98819	1.8
83.01276	5.3
85.02824	12.3
85.41453	1.8
87.00754	4.8
89.02321	7.1
93.03324	4.7
95.01267	4.4
97.02817	2.4
98.19746	3.0
99.00757	3.7
101.02344	18.0
113.02337	11.1
119.04844	2.5
121.02880	2.5
125.02307	5.2
133.02823	2.8
135.04404	4.1
149.04449	4.9
150.03110	2.8
152.65367	1.8
157.12251	2.0
161.02376	4.4
161.04456	2.6
165.03931	20.5
167.03351	1.9
173.04486	7.3
182.86044	2.0
191.05566	15.7
211.13359	5.5
229.18044	3.1
229.67816	2.5
243.02835	2.1
255.02890	3.1
271.02533	8.7
297.07205	3.4
299.01990	7.6
300.02707	7.8
314.04172	5.7
315.05032	7.1
315.25345	3.7
361.29568	15.7
371.15271	2.5
372.36990	2.0
374.62033	2.1
387.14426	2.5
397.13553	2.2
477.28418	4.3
491.28516	4.7
505.33890	100.0
506.34000	16.7
523.26880	2.7
523.34705	37.2
524.35309	5.2
532.52289	2.2
563.91052	2.1
565.35907	8.3
609.14752	15.4
609.28473	3.1
610.15210	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	609.2684
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
54.40815	0.5
57.03336	0.5
59.01247	3.9
61.98696	1.6
64.83340	0.5
71.01246	1.4
75.86715	0.5
78.95776	57.4
79.95655	0.8
80.96401	4.0
82.95969	2.0
84.45400	0.5
85.02829	0.9
87.00745	0.5
89.02316	0.8
94.97964	0.8
96.96851	10.6
96.97508	0.7
98.20599	0.9
101.02351	1.0
111.08010	0.8
113.09612	0.5
119.87283	0.5
123.04417	0.6
125.02279	0.7
133.02834	0.8
152.99493	64.3
153.99809	1.0
159.77747	0.5
161.02348	0.8
171.00519	2.7
171.10136	0.8
173.04466	0.9
176.86865	0.5
177.12790	0.6
179.03433	1.1
179.14323	0.9
191.05560	1.9
195.13837	7.8
196.14407	0.9
205.16046	0.6
209.11705	0.9
211.13342	1.2
223.00095	8.0
223.13353	5.2
224.13885	0.6
241.01155	22.8
256.13345	0.6
259.02295	1.1
262.80234	0.6
271.02518	1.6
275.20090	4.0
293.21231	35.4
294.21497	3.9
299.02042	0.7
300.02759	2.5
301.03311	0.8
315.04865	9.6
316.05038	0.7
333.05942	0.9
437.03647	0.7
540.20148	0.6
609.26709	100.0
610.27100	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22869	1.3
57.03331	7.7
59.01252	100.0
61.98704	6.8
69.03318	1.6
69.53831	10.6
71.01255	23.9
72.99184	2.9
73.02831	8.2
75.00741	3.1
83.01251	4.9
83.04890	1.2
85.02821	14.0
85.06464	1.6
87.00758	6.5
88.98694	2.8
89.02328	9.4
93.03344	7.4
95.01275	2.7
96.95883	2.4
97.02831	2.3
99.00748	4.1
99.04404	1.8
101.02315	13.3
111.04408	2.5
113.02345	10.0
119.03394	1.9
123.04450	1.6
125.02347	3.2
129.01837	1.6
131.03314	1.4
133.02875	3.3
135.04420	7.0
137.02353	1.9
139.07542	1.7
143.03383	2.5
143.10638	1.6
143.47710	1.3
149.02332	1.7
149.04482	10.1
151.00374	1.6
151.03889	2.6
161.02364	3.3
161.04449	3.4
165.03955	2.8
173.04515	10.1
173.05771	2.0
179.03351	3.6
180.04216	6.1
182.55246	1.6
184.45934	1.4
187.11313	1.6
191.05536	19.2
195.06577	6.5
211.13338	4.0
229.18062	2.6
255.02971	2.9
271.02502	8.8
293.04352	1.9
299.02008	5.7
300.02750	12.5
301.03467	3.2
314.04474	1.9
341.13809	1.7
361.29507	10.4
407.11398	2.0
435.10764	4.0
447.22290	2.7
477.27655	3.4
491.28702	2.6
505.33792	69.0
506.34259	12.1
523.34875	23.7
524.35181	4.4
565.35901	4.7
609.15002	17.7
609.28418	4.4
610.15637	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	609.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01250	3.4
60.45043	0.4
60.81220	0.5
61.98707	3.3
63.96105	1.0
64.01345	0.4
69.03320	0.6
69.48973	1.2
69.49387	2.2
71.01250	8.4
73.02815	1.6
78.63467	0.4
78.98462	5.8
79.95603	10.9
80.96387	70.7
81.03329	1.2
81.96330	0.6
83.01222	0.5
85.02820	3.6
87.00764	2.9
89.02305	1.1
93.03321	0.6
94.97960	17.3
95.01262	0.9
96.95885	1.7
97.02824	1.5
98.19775	0.4
99.00744	0.9
101.02314	3.5
106.97964	3.2
111.06183	0.5
113.02304	1.3
122.97465	6.2
125.02313	3.3
127.03919	0.8
134.97470	4.6
135.04425	0.8
136.99048	1.4
148.99042	6.8
149.04472	0.8
152.98524	6.9
161.02357	0.5
164.98543	11.3
167.00208	0.6
173.04460	2.1
179.03424	0.4
182.99605	2.7
191.05525	1.4
197.11737	1.7
206.99622	3.0
225.00690	19.1
243.01805	1.6
271.02432	1.0
299.04352	3.0
300.02771	1.5
301.03210	0.6
477.29184	0.5
609.25793	100.0
610.26147	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.5
59.01245	8.4
59.36717	0.5
61.98707	4.4
63.96105	1.2
69.21265	5.7
71.01254	8.3
71.11341	0.5
71.43861	0.5
71.65677	0.6
72.51713	0.5
73.02818	2.5
78.95741	0.8
78.98457	4.5
79.95606	11.1
80.96387	66.0
81.96278	0.6
85.02820	3.4
87.00750	4.0
88.91114	0.6
89.02331	1.2
93.03318	1.5
94.97961	13.5
96.95872	1.0
97.02824	1.2
98.19856	1.2
99.00739	0.9
101.02330	2.8
106.97971	2.8
106.98608	0.5
111.04421	0.8
113.02356	1.1
122.97477	6.1
125.02322	2.3
127.03865	0.9
133.02821	0.6
134.97458	4.2
135.04404	0.6
136.99055	1.2
148.99052	5.1
149.04417	1.4
152.98544	7.2
164.98558	10.7
173.04442	3.3
179.00092	0.7
182.99609	2.3
191.05513	2.8
197.11671	1.1
206.99669	3.1
225.00691	18.3
243.01651	1.2
255.02969	0.6
271.02441	0.7
299.04404	2.9
300.02643	0.9
301.03354	0.7
334.79208	0.6
361.34848	0.5
374.46219	0.6
489.34680	2.7
546.28107	0.5
609.25806	100.0
610.26202	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	609.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12169	0.6
57.03366	1.4
59.01247	5.0
61.98704	4.3
63.96137	0.9
69.03365	1.0
69.98670	2.9
71.01251	9.1
73.02880	1.8
76.50143	0.6
78.95779	15.4
78.98470	7.5
79.95608	23.5
80.95710	2.0
80.96394	75.0
81.03386	1.1
85.02827	3.9
87.00741	3.2
89.02341	1.1
94.97967	17.6
96.95962	1.5
96.96851	3.0
97.02919	2.5
98.19921	0.8
99.00790	1.0
99.04362	0.6
101.02329	3.9
106.97967	3.6
113.02383	1.1
113.09612	3.3
122.97483	7.4
125.02352	5.1
126.47309	0.6
127.03967	1.5
132.84224	0.6
134.97502	5.9
134.98288	0.5
135.04359	0.6
136.99132	2.4
144.18996	0.5
148.99055	7.3
152.98555	6.2
152.99591	16.7
161.04539	0.7
164.98558	14.4
164.99789	0.9
165.98801	0.6
179.03362	0.7
179.10825	0.9
182.99602	3.3
191.05502	0.7
195.13872	0.9
206.99693	5.3
207.10054	0.6
209.12030	0.9
211.13496	0.7
223.00148	1.1
223.13408	3.0
225.00703	32.4
226.01030	0.9
241.01193	6.1
243.01639	2.9
255.02893	0.9
271.02591	2.2
293.21231	15.0
294.21591	1.3
299.04453	5.6
300.02621	2.9
301.03458	0.8
315.04800	3.8
333.05914	0.7
523.18555	100.0
524.18909	12.3
591.24756	6.4
592.25488	1.1
609.15350	2.3
609.26105	66.9
610.26404	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	609.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33935	1.1
57.03296	2.2
59.01255	7.5
61.98705	10.8
63.62570	1.0
69.03299	1.2
71.01246	14.3
71.50189	1.5
73.02808	2.9
78.95769	17.6
78.98460	8.8
79.95607	33.6
80.96387	88.9
81.03300	1.5
85.02789	3.5
87.00748	3.5
90.98445	2.0
93.03302	1.3
94.97405	1.9
94.97961	19.7
96.95872	5.0
96.96825	3.1
97.02827	2.5
99.00722	1.4
101.02309	3.6
106.30186	1.3
106.97944	3.9
113.02332	2.0
113.09608	6.0
121.02835	1.0
122.97481	7.4
125.02328	4.7
127.03881	1.3
133.02838	1.2
134.97499	6.0
136.99068	2.2
139.11174	1.6
148.99057	9.2
152.98473	6.4
152.99466	21.3
157.23259	1.1
161.02341	1.9
164.98534	14.7
179.10573	1.3
182.99544	3.1
191.05551	1.8
195.13741	1.1
206.99597	5.8
209.11792	1.8
211.13319	1.4
223.00027	2.0
223.13316	3.3
225.00696	33.5
225.11151	2.0
226.00911	1.2
241.01155	5.7
243.01784	3.1
255.02870	1.2
271.02420	2.7
293.21213	15.9
294.21408	1.7
294.32791	1.4
299.04291	7.0
300.02710	4.2
301.03256	1.9
315.04834	3.5
497.14252	1.1
523.18512	100.0
524.18903	14.3
591.24664	8.0
592.25146	1.2
609.14984	4.7
609.26031	87.1
610.26416	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.88604	0.9
59.01245	17.2
61.98698	6.5
62.46312	1.0
62.72248	1.0
63.96555	0.9
65.00182	2.8
67.86276	0.9
68.99667	1.3
69.19880	1.1
70.51832	2.4
70.52171	1.2
71.01252	8.0
72.99184	1.5
73.02820	6.7
80.46272	1.2
83.01276	2.5
85.02818	3.9
87.00747	1.9
87.30396	0.9
89.02322	4.9
93.03322	3.8
95.01276	2.9
96.99261	1.3
101.02319	5.2
103.61160	1.0
107.01286	2.9
108.02055	1.9
109.02872	2.4
111.00764	2.5
111.04420	1.6
111.65797	1.0
113.02322	3.6
117.03308	1.8
121.02834	2.6
122.03609	1.1
123.00715	1.7
125.02345	1.5
127.03909	1.0
129.01875	1.1
132.02016	0.9
133.02849	13.7
134.03606	4.0
135.04414	11.9
136.98798	1.0
137.02319	2.2
139.00262	3.5
143.03429	1.0
149.02336	1.5
149.04451	6.3
149.05998	1.6
150.03108	4.4
151.00269	9.3
151.69765	1.0
152.01070	2.9
153.01784	1.2
161.02348	38.1
161.04408	1.8
162.02942	2.0
163.00267	1.9
164.01027	1.1
165.01823	2.7
165.05533	4.7
165.98994	2.3
166.99762	1.4
169.02771	1.1
171.04413	2.1
173.04462	2.6
175.03926	2.7
177.05486	2.5
178.99808	6.3
179.03384	13.1
179.87538	0.9
180.04187	1.6
183.04367	1.4
187.03905	3.6
187.07635	1.2
191.05544	9.8
193.04997	2.0
194.05783	1.4
195.06549	4.0
199.03951	1.8
201.01924	1.2
201.05409	1.6
203.03389	2.3
209.00920	1.5
209.08064	2.7
211.03976	2.5
215.03523	1.8
219.02914	2.7
221.04492	3.5
225.07643	1.6
226.02605	1.5
227.03442	7.4
228.04021	1.4
229.04980	2.2
239.03352	1.3
243.02994	11.0
244.03453	1.2
245.04550	1.4
251.05603	1.7
254.02274	1.8
255.02945	31.6
256.03543	2.4
257.04562	3.0
271.02475	37.7
272.03122	9.4
273.03897	1.9
281.06766	2.2
282.01804	1.2
283.02460	13.6
284.03146	1.7
285.04190	2.3
299.01828	2.9
300.02731	58.1
301.03494	39.3
302.03845	2.6
314.04318	1.9
315.18024	2.9
338.04819	1.0
343.04938	1.5
357.13403	2.4
435.10754	3.2
535.21472	1.1
591.13770	1.6
609.14624	100.0
609.25464	29.6
610.14905	15.2
610.25891	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58183	0.4
59.01246	0.7
60.74578	0.5
61.19532	0.4
65.00199	1.1
73.56300	0.4
80.95683	0.5
93.03349	0.5
97.02818	1.1
109.02814	2.3
121.02844	3.9
133.02815	0.6
149.02409	0.8
151.00214	0.9
165.01848	13.8
166.02182	0.7
168.73282	0.5
171.04453	0.6
193.01286	2.5
199.03979	2.4
200.69438	0.6
207.02950	0.5
215.03474	0.9
226.02625	1.2
227.03473	3.1
229.63405	0.6
243.02940	5.2
245.66623	0.5
254.02167	1.9
255.02924	2.1
256.03622	0.6
269.04578	2.5
271.02475	54.2
272.02905	4.8
285.04080	2.6
286.04581	0.8
287.05682	1.2
297.03894	0.7
299.01959	88.0
300.02481	12.3
314.04312	85.2
315.05038	52.6
315.09076	0.7
316.05383	3.5
357.06100	1.4
438.13156	0.5
588.31848	0.6
609.14581	100.0
610.14941	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04734	0.7
59.26173	0.8
60.96110	0.8
79.78096	0.9
107.01302	1.4
108.02042	1.6
113.81077	0.8
135.00800	1.4
148.01607	1.1
151.00261	3.8
163.00298	0.9
178.99806	2.5
226.02640	1.8
227.03416	3.5
243.02950	12.2
254.02159	2.2
255.02980	26.4
256.03314	2.3
271.02478	56.3
272.02939	6.9
284.03250	2.6
299.01971	2.5
300.02753	100.0
301.03235	11.7
307.11508	0.8
307.62656	0.9
609.14594	52.5
610.15100	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61980	0.4
60.35621	0.4
65.00201	0.5
66.14542	0.3
67.33666	0.3
71.36778	0.7
73.99033	0.3
74.37251	0.4
83.01283	0.5
85.25935	0.4
107.01282	1.7
108.02067	1.0
109.02843	0.6
121.02856	0.8
142.54947	0.4
145.78299	0.3
148.01537	0.6
151.00275	6.8
157.71320	0.4
159.64336	0.5
160.22656	0.4
163.00278	1.6
169.01369	0.4
178.99786	4.2
199.03987	0.4
202.05380	0.4
209.26793	0.4
211.03886	0.4
215.03316	0.4
216.04207	0.5
226.02742	0.8
227.03395	2.3
243.02977	6.6
244.03368	1.1
245.04422	0.5
254.02155	1.6
255.02980	15.6
256.03320	1.0
271.02478	39.5
272.02908	3.4
273.04007	0.9
283.02356	0.5
299.01974	1.0
300.02737	64.6
301.03430	27.4
302.03867	1.7
343.04584	0.9
473.39017	0.4
609.14594	100.0
610.14941	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	608.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.3
59.01251	3.2
61.98702	100.0
71.01259	2.6
71.50928	0.4
73.02838	1.3
78.95768	1.6
78.98469	0.8
79.95625	1.3
80.96391	7.8
83.01252	0.5
85.02824	1.5
87.00770	0.8
89.02322	0.7
93.03343	1.1
94.97969	1.9
95.01277	0.5
96.95916	0.4
97.02872	0.5
97.06516	0.4
98.95467	0.4
101.02341	1.0
102.38534	0.3
106.98004	0.5
109.02844	0.4
113.02336	0.8
122.97498	0.6
125.02357	0.7
131.03432	0.4
133.02867	0.7
134.97484	0.8
135.04436	0.7
137.02316	0.4
148.99048	0.6
149.04509	1.1
152.98492	0.4
152.99570	0.6
161.02461	0.3
161.60352	0.3
164.98586	1.7
173.04498	1.4
173.05885	0.6
177.01840	0.3
179.03529	0.5
187.03978	0.4
187.07460	0.4
191.05467	1.6
201.05516	0.8
202.06070	0.4
206.99843	0.3
209.11830	0.5
211.13374	0.7
225.00645	1.9
229.08710	0.7
230.09344	1.1
231.09991	0.3
243.10155	0.3
255.03032	0.9
271.02280	1.7
283.02518	0.4
284.02997	0.6
298.05090	0.4
299.02032	0.9
299.04990	0.5
300.02695	1.4
314.04370	1.1
315.05066	0.7
606.52679	0.4
608.16309	0.4
608.24677	6.2
609.14923	3.0
609.26062	8.9
609.35681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27736	0.2
55.92177	0.2
59.01249	1.0
61.98701	100.0
63.00286	0.2
70.41502	0.3
70.41874	0.4
71.01255	0.2
78.95784	0.2
79.95605	0.4
80.96375	0.3
88.00360	0.2
89.53429	0.2
90.42473	0.2
91.00285	0.2
91.68416	0.2
133.02852	0.5
135.04446	0.3
161.02351	1.2
162.02568	0.2
163.63618	0.2
175.09566	0.2
271.02536	0.2
300.02780	0.5
313.79614	0.2
334.62653	0.3
376.27814	0.2
513.18280	0.2
523.18933	0.3
530.36151	0.2
547.12646	0.2
586.44556	0.2
609.15173	0.4
609.26666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09164	0.5
52.75114	0.6
53.14560	0.6
59.01243	3.1
63.02309	0.5
65.00198	1.3
69.29744	3.8
69.30159	1.3
71.01246	1.6
89.02326	0.6
93.03319	1.2
101.02334	0.7
107.01239	0.6
109.02843	3.0
113.33919	0.5
121.02846	5.4
140.66232	0.6
141.72656	0.6
151.00337	1.1
165.01837	17.2
191.05511	0.9
193.01358	3.3
194.46303	0.6
199.03934	2.5
211.13345	1.4
215.03354	1.8
226.02687	1.7
227.03448	3.5
228.04005	0.7
243.02991	6.6
244.03458	0.9
254.02237	2.3
255.02925	3.0
256.03500	1.0
269.04541	2.1
270.01688	1.0
271.02466	73.7
272.02875	6.3
285.03979	2.9
287.05637	1.3
297.03915	0.7
299.01953	100.0
300.02505	15.9
313.03696	1.0
314.04309	86.6
315.05042	48.8
315.09015	0.7
316.05307	3.5
390.85477	0.6
447.09503	1.4
589.41809	0.7
609.14594	86.3
610.05121	0.6
610.14941	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	607.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	91.0
58.03648	2.2
59.01248	100.0
59.07202	0.8
60.01574	1.3
61.98701	23.6
62.05088	0.8
69.99229	0.8
71.01257	3.7
73.02818	1.4
73.99378	0.8
75.59025	0.8
78.95777	3.3
80.96393	3.5
81.03315	4.0
83.01260	1.2
83.04885	0.9
85.02830	2.5
87.04391	7.0
89.02293	1.0
98.20535	2.7
99.04392	86.6
100.04737	2.6
101.02312	12.8
109.15095	0.9
125.02336	48.5
126.02686	1.5
143.03395	1.8
150.75098	0.8
152.99483	3.9
161.02293	1.8
161.04463	1.6
209.11757	1.2
217.13023	0.9
229.08766	0.9
230.09413	1.5
291.19687	1.9
377.21600	1.0
419.22989	1.2
457.42709	0.9
607.23944	6.9
608.25250	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	607.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03322	4.4
58.00470	1.5
59.01255	100.0
61.98716	10.9
69.03318	2.0
71.01261	35.4
71.50413	2.9
72.99184	3.7
73.02822	20.1
75.00745	1.7
78.95828	1.5
79.17564	1.4
83.01268	7.1
85.02826	16.5
87.00776	7.7
87.95309	1.9
89.02303	11.9
93.03352	4.8
93.06984	2.1
95.01273	3.5
96.95938	2.5
99.00742	5.3
101.02333	25.3
103.14884	1.6
112.58775	1.6
113.02333	15.0
113.03715	1.7
119.03410	2.5
121.10099	2.1
125.02374	2.9
133.02861	3.6
134.03700	1.8
135.04456	3.9
143.03392	2.8
149.04431	9.7
155.10661	1.9
161.02368	6.3
161.04482	9.0
171.10242	1.9
173.04465	3.7
179.03465	3.0
191.05495	8.3
199.03949	1.7
201.14774	1.7
209.11766	3.1
229.18094	9.1
271.02524	2.0
298.04657	1.7
299.01920	5.1
299.05136	1.8
339.04993	1.9
341.27002	1.6
343.21497	3.8
350.93692	1.7
359.28064	5.7
373.22287	2.2
391.23383	3.6
433.24377	1.9
473.27585	5.1
475.16617	1.8
475.25629	5.1
503.32285	68.1
504.32507	10.1
515.28888	2.1
521.33313	17.2
522.33765	3.4
533.29315	1.7
537.54736	1.9
563.33679	2.5
607.18341	4.1
607.29639	4.9
620.29810	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
56.77331	1.3
59.01249	100.0
61.98700	13.8
66.95840	1.2
69.03365	1.5
69.26596	12.4
71.01265	10.6
71.20514	1.5
72.99177	2.0
73.02809	2.2
75.00734	3.2
78.95768	1.9
83.01257	2.7
85.02820	6.5
87.00761	2.1
93.03333	1.8
96.95890	1.7
98.56790	1.3
99.00735	1.8
101.02320	6.8
113.02326	4.8
125.02288	1.8
135.04459	1.6
145.02803	1.5
149.04475	1.5
161.02353	3.8
161.04555	1.5
162.50896	1.6
173.04445	1.5
191.05469	3.1
209.11719	2.4
229.12181	1.8
229.72301	1.3
281.51392	1.5
297.24301	2.9
298.05164	1.5
305.14252	2.0
343.28271	3.2
475.26816	2.6
485.30655	1.8
487.32706	54.4
488.33453	7.3
505.33740	18.6
506.34235	2.6
547.35260	2.9
563.33936	1.7
604.53558	1.4
626.04663	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	607.2433
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03311	0.5
58.63942	0.3
59.01246	4.9
61.98710	2.2
63.96110	1.2
68.99683	0.4
69.03318	0.9
70.26530	0.8
70.26926	0.7
70.86060	0.3
71.01250	9.5
73.02826	3.4
73.05699	0.3
75.00735	0.4
78.95784	1.2
78.98465	6.8
79.95608	14.7
80.96389	72.6
81.03323	1.6
83.01263	0.9
83.04887	0.5
84.85564	0.3
85.02821	3.6
87.00744	3.7
89.02328	1.0
94.97959	17.6
95.01254	0.5
95.04930	0.3
96.95888	1.1
97.02840	1.6
97.06515	0.5
99.00781	0.7
99.04314	0.4
101.02326	4.7
106.97967	3.5
113.02326	1.3
114.71095	0.4
117.05450	1.1
122.97466	6.0
125.02325	3.9
126.02628	0.4
127.03978	0.7
133.02866	0.7
134.97470	4.7
135.04401	1.0
136.99043	0.9
143.03421	0.4
145.53935	0.5
146.97565	0.4
148.99046	6.5
152.98506	6.7
152.99503	0.6
159.04446	0.4
161.02361	1.8
161.04419	0.6
163.11140	0.4
164.98529	9.6
165.12759	1.2
167.00069	0.5
179.03485	0.5
182.99606	2.9
183.13890	1.8
187.07547	0.4
191.05644	0.5
201.05505	0.9
206.99599	3.2
209.11783	2.9
211.13232	0.9
225.00714	17.4
227.12805	4.9
228.13132	0.5
229.08673	1.1
230.09473	1.7
235.08192	0.4
241.00757	0.5
243.01689	1.7
291.19766	0.5
298.04694	0.5
299.04440	2.9
308.97742	0.4
317.05270	0.4
371.22354	0.5
397.13538	0.6
427.12387	0.6
441.14435	0.5
445.13071	0.4
509.17020	0.6
591.06744	0.4
607.24335	100.0
608.24664	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03331	0.5
59.01250	9.1
61.98702	27.1
63.96102	0.9
67.01769	0.6
69.03335	0.7
71.01248	10.7
71.51167	0.9
72.99194	1.1
73.02822	3.4
75.00724	0.7
78.95768	3.6
78.98461	6.8
79.95604	17.9
80.96387	71.7
81.03318	1.2
83.01240	0.8
83.04913	0.5
85.02821	4.2
87.00754	3.4
89.02332	1.3
93.03329	1.7
94.97963	17.5
95.01256	1.5
96.95870	1.1
97.02834	2.0
99.00764	1.1
99.04362	0.7
101.02319	5.2
106.97964	3.7
113.02336	2.2
117.05464	1.4
122.97471	5.6
125.02367	3.2
127.03919	1.2
130.40575	0.5
133.02808	1.0
134.97470	4.7
136.99040	1.7
138.96776	0.5
139.00247	0.6
140.07268	0.5
143.03398	1.2
148.70186	0.6
148.99043	5.5
149.04448	1.3
152.98524	5.5
152.99547	1.3
161.02325	1.0
161.04475	0.7
164.74188	0.5
164.98553	9.0
165.04105	0.5
173.04486	2.0
173.05960	0.6
179.76332	0.5
182.99609	2.8
187.03769	0.6
187.07469	1.6
191.05533	1.3
201.05414	1.7
201.09135	0.7
206.99634	3.7
209.11740	2.4
215.07062	0.9
216.55873	0.6
225.00705	18.5
226.00932	0.7
229.08601	2.7
230.09480	2.6
241.01047	0.6
243.01761	1.7
255.02846	1.2
283.02533	2.2
291.19748	0.9
298.04828	1.6
299.04483	2.5
305.13971	1.4
343.24475	0.6
382.53000	0.7
452.16409	0.6
453.85184	0.6
562.46576	0.6
607.24261	100.0
608.24603	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2032
Annotation	Isosyringalide 3'-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.47853	0.3
55.01756	0.2
57.03313	0.7
59.01252	6.7
61.98703	0.6
69.23189	2.8
71.01259	7.1
71.04309	0.3
72.12089	0.2
72.99187	0.6
73.02827	0.9
73.38383	0.3
74.73383	0.3
83.01277	0.4
83.04899	0.4
85.02825	7.9
87.00743	0.6
89.02314	3.9
89.03857	0.3
91.25683	0.3
93.03349	1.0
95.01276	2.7
97.02805	0.3
98.19817	0.4
101.02341	1.9
101.61343	0.3
113.01527	0.5
113.02329	12.7
117.03352	33.4
118.03695	1.2
119.03393	0.4
119.04913	8.8
120.05221	0.6
120.38924	0.3
123.04403	4.4
131.03442	0.4
133.02829	0.9
134.03600	0.6
135.04417	11.5
135.05449	0.6
136.04749	0.5
140.56920	0.3
143.03400	0.9
145.02856	100.0
146.03186	4.2
147.04433	0.4
149.04460	3.4
153.05482	4.3
161.02373	1.5
161.04466	0.5
163.03928	9.5
164.04271	0.6
191.05568	1.6
193.04984	0.5
235.06039	0.3
307.08447	0.3
315.10843	1.4
403.14017	0.7
443.15512	0.8
461.09952	0.6
461.16635	19.5
462.16995	3.0
607.20337	35.4
608.20685	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	607.2425
Annotation	Tiliasine
Peak:m/z	Relative Intensity
52.59185	0.7
59.01249	8.3
61.98704	16.6
63.96093	1.1
64.35172	0.8
69.57767	5.7
71.01244	8.8
71.27650	0.9
72.99174	0.8
73.02813	2.4
75.53169	0.8
78.95766	2.5
78.98451	6.6
79.95601	25.1
80.96387	70.5
81.66827	0.8
84.35302	0.8
85.02807	3.4
87.00751	2.8
89.02309	1.4
89.97453	0.8
92.01163	0.8
94.97961	16.7
95.01250	0.9
96.95876	1.0
97.02795	1.5
98.19944	1.8
99.04365	0.8
101.02317	4.1
106.97945	3.3
113.02360	1.2
122.97458	6.0
125.02371	4.3
127.03850	1.2
133.02847	1.9
134.97462	4.1
135.04413	1.8
136.98991	1.5
145.02844	1.0
148.99028	5.9
152.98495	6.2
152.99557	1.1
161.02328	4.3
164.98544	11.6
179.03444	1.1
182.99620	2.0
206.99579	3.8
209.11761	3.6
225.00684	20.0
227.12769	1.7
243.01657	1.1
298.04691	1.9
299.04486	2.5
334.12305	0.9
335.89627	0.9
343.12613	0.9
359.94476	0.9
371.06509	2.0
392.85992	1.0
509.17001	12.2
510.17285	1.5
589.23572	4.1
607.24292	100.0
608.24615	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	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.1
70.92326	0.6
70.99639	1.3
80.34029	0.5
89.10040	0.5
93.03329	1.0
101.94364	0.6
104.83442	0.5
108.16507	0.5
109.99987	1.2
125.02264	0.6
136.98729	0.8
151.00327	0.6
155.49020	0.6
165.01878	1.1
207.65428	0.6
211.03954	1.8
212.04668	0.7
225.05353	0.6
227.03453	18.1
228.03989	2.6
231.86090	0.5
243.06580	1.0
255.02948	51.0
256.03522	7.9
257.08041	1.3
271.06024	2.0
283.02460	62.6
284.03174	32.2
285.03586	1.9
298.04810	36.6
299.05579	100.0
300.05930	8.8
341.06619	1.3
375.01389	0.6
419.39648	0.5
501.16586	0.6
505.09235	0.5
607.16638	83.5
608.17065	14.7
608.26971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
65.00210	0.8
69.73956	4.1
69.88859	0.5
72.35622	0.5
85.53506	0.6
98.20552	0.8
101.23272	0.7
129.78336	0.6
133.49709	0.6
151.00212	0.6
165.01814	1.7
183.04420	1.9
187.03984	0.8
193.01262	0.8
211.03879	1.5
227.03494	3.1
255.02966	32.7
256.03287	3.3
269.04752	0.7
271.06052	2.1
280.23969	0.7
283.02469	100.0
284.02896	11.2
297.04095	1.0
298.04813	86.0
299.05399	17.0
300.06006	1.6
424.25473	0.7
441.48416	0.6
443.09567	2.0
444.11002	0.7
607.16687	55.2
608.16937	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	607.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03996	0.2
55.01766	0.2
57.03320	0.6
58.00453	0.2
59.01252	27.5
60.79821	0.2
66.77885	0.3
68.09158	0.2
69.47646	1.3
70.20576	0.2
71.01252	3.8
72.99184	0.5
73.02820	2.0
77.03884	0.3
80.02549	0.6
83.01269	0.6
85.02826	2.5
87.00748	0.3
89.02311	1.4
91.01768	0.9
92.02569	0.2
93.03338	4.9
95.01280	1.3
97.02861	0.3
98.19862	0.2
101.02326	4.0
103.03903	0.8
107.04903	4.1
108.02055	17.7
109.02354	0.4
109.03004	0.3
113.02359	1.7
115.03864	0.4
119.03374	0.4
121.02847	25.3
122.03190	0.9
123.04412	22.0
124.04753	0.8
125.02336	0.8
131.03395	0.2
133.02820	0.7
134.03656	0.3
135.00781	4.9
136.01526	0.9
137.02353	0.6
139.95177	0.2
143.03386	1.1
145.04980	0.3
149.02330	0.3
149.99553	0.2
151.03912	5.6
155.10704	0.6
161.04434	0.7
163.06021	0.6
166.02641	0.3
167.03394	1.2
179.03395	0.2
180.05666	0.3
181.06505	0.3
190.06125	0.2
193.05014	0.4
195.00694	0.2
195.04462	0.9
197.06049	1.5
201.14977	0.3
205.05005	0.6
205.07100	1.3
207.06516	0.3
209.04416	0.3
222.09027	0.2
224.04765	1.6
225.05521	14.9
226.05779	1.3
227.07059	1.3
229.08653	0.4
230.15187	0.3
237.11537	0.2
239.07072	0.9
242.05801	0.8
243.06273	0.2
255.02991	0.5
257.08173	100.0
258.08521	9.3
283.02518	0.9
284.03241	0.4
298.04736	0.7
299.05588	1.1
307.10306	0.5
311.07474	0.3
329.08768	0.4
359.27979	1.0
373.12964	1.1
388.15302	0.6
403.17624	3.8
404.17804	0.4
457.12967	0.2
475.26825	0.6
503.24744	0.4
503.32248	7.2
504.32660	1.2
521.33234	2.7
563.34973	0.3
565.19232	7.6
566.19452	1.5
607.17432	1.1
607.30200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66170	0.2
59.01251	0.9
61.29831	0.2
61.98701	100.0
69.25446	1.0
69.25875	0.8
73.19683	0.2
78.95786	0.7
89.02317	0.2
90.88618	0.2
102.79720	0.2
103.25858	0.2
125.06174	0.2
145.02773	0.2
152.99478	0.9
161.02437	0.2
191.05495	0.2
209.11826	0.3
210.12071	0.2
215.85509	0.2
241.01190	0.2
291.19641	0.5
298.05081	0.2
334.03494	0.2
454.23337	0.2
537.33893	0.3
607.24982	1.2
624.50873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46154	0.1
58.51007	0.1
59.01230	1.1
60.15779	0.1
61.98700	100.0
62.30003	0.1
66.05316	0.1
69.27058	1.5
71.01256	0.6
73.32424	0.1
78.95781	1.2
79.95592	0.2
80.81223	0.1
80.96400	0.7
83.04881	0.2
85.02847	0.2
87.00751	0.2
89.02323	0.2
91.69437	0.2
94.97998	0.2
101.02311	0.3
107.73970	0.1
111.08043	0.2
113.02338	0.3
133.02849	0.4
135.04420	0.2
139.69781	0.2
152.99509	0.9
161.02344	0.9
164.98529	0.2
179.03485	0.3
191.05502	0.2
209.11882	0.5
211.13425	0.2
223.61270	0.2
227.12804	0.2
241.01175	0.2
258.83978	0.2
283.02432	0.3
284.13135	0.1
287.65714	0.2
291.19705	0.6
307.29309	0.2
363.11914	0.2
445.36166	0.2
607.24713	2.5
607.33569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88966	0.5
57.03322	0.8
58.00457	0.6
59.01245	8.4
60.03841	0.5
61.98694	2.1
66.19193	0.5
69.03305	0.7
69.73378	3.0
71.01256	3.5
72.99171	0.5
73.02810	1.6
75.00797	0.5
78.95772	2.8
79.31908	0.5
79.95594	0.6
83.04873	0.6
85.02814	1.7
87.00770	0.9
89.02330	1.3
93.06972	2.9
96.95889	16.0
96.96803	3.7
97.06470	0.6
101.02332	1.3
109.06508	0.6
113.02331	1.3
123.04409	0.5
133.02779	0.7
133.92838	0.5
135.04428	0.4
137.02271	0.5
142.30638	0.5
149.04475	1.0
161.02370	1.0
173.04520	0.6
175.31564	0.5
187.07364	0.4
191.05531	1.8
201.05432	0.6
211.16931	0.6
215.06964	0.6
227.14348	0.9
227.16473	11.3
229.08769	0.5
241.17944	1.2
293.21457	0.7
297.24188	0.9
309.24274	0.8
327.25342	11.1
328.25595	1.3
339.25256	4.5
340.25220	0.6
355.24936	0.9
357.26443	100.0
358.26770	11.3
399.27536	1.2
473.26816	1.5
508.12711	0.8
561.32599	0.9
573.24500	0.6
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	Unknow
Peak:m/z	Relative Intensity
83.24598	0.2
98.19796	0.7
101.57864	0.2
106.06514	0.5
108.18288	0.3
160.76988	0.3
162.05534	0.3
169.53600	0.3
175.62030	0.3
181.86653	0.3
214.64191	0.3
321.25430	0.4
415.15524	1.1
416.16281	0.8
424.16351	0.3
429.17282	1.0
430.17984	1.5
431.18488	0.4
434.21188	0.3
442.17780	0.3
443.19360	0.6
444.19547	0.7
445.20270	0.5
455.19266	0.5
457.20752	2.2
458.21216	0.4
459.17737	3.4
460.18198	0.5
461.23389	0.8
467.18494	0.4
469.20859	0.3
470.21082	0.8
471.17889	1.8
472.18933	1.3
473.19565	5.6
474.20294	1.2
475.21106	0.4
485.18231	1.9
485.24033	1.4
486.20609	4.7
487.21390	1.9
496.19235	0.9
497.19745	0.4
499.17691	2.6
500.22150	0.5
501.23843	3.1
502.18997	0.5
511.21429	2.8
512.21375	0.5
513.19232	3.2
514.20020	9.7
515.20233	1.6
517.18390	0.6
518.19293	1.8
519.19525	0.4
527.20447	0.4
528.21271	0.7
529.22430	100.0
530.22736	22.6
532.21057	1.4
533.21692	2.8
534.22534	0.4
561.25122	1.3
562.25610	0.4
573.21576	1.0
574.22614	0.3
605.23566	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60691	0.7
52.57864	0.7
59.77346	0.7
78.95753	1.3
83.19547	0.6
92.26838	0.8
162.05573	0.8
196.03841	0.7
331.88483	0.8
416.16379	1.4
429.16580	0.8
430.17877	1.3
443.18927	1.0
444.19098	1.2
449.78625	0.8
457.20447	2.1
459.18143	2.4
460.18942	1.0
471.18280	1.6
472.18268	1.2
473.19525	5.2
485.18961	1.3
485.24591	1.2
486.21194	4.5
487.20999	1.5
496.19504	1.0
499.17764	3.1
501.23834	3.4
502.21548	1.0
511.21161	2.8
513.19330	2.6
514.20142	9.4
515.19989	1.6
518.19653	1.7
528.21759	1.1
529.22437	100.0
530.22791	19.3
532.20941	1.7
533.21967	2.6
561.25024	1.0
573.21399	1.1
605.24005	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.8
60.99174	5.1
61.98687	1.5
66.45854	0.8
72.99135	0.7
78.95775	10.4
87.00753	4.9
88.00278	9.6
88.98679	32.4
89.02315	100.0
90.02644	1.5
98.99442	0.8
152.99493	6.7
168.71860	0.7
171.10178	8.2
207.09712	0.7
234.32692	0.8
241.39467	1.0
246.33502	0.8
265.54309	0.8
277.21707	1.6
278.73318	1.0
295.22687	3.7
307.09448	3.0
313.06442	0.8
395.40839	0.8
416.78522	1.0
431.22086	2.1
449.23044	1.4
603.32660	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	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.01250	64.7
61.98705	12.6
70.31916	1.7
70.32271	4.1
71.01242	6.4
73.02825	1.9
75.00710	1.5
78.95764	2.5
80.02568	1.6
81.03337	2.2
83.01270	1.5
83.04887	5.5
85.02833	2.4
87.00742	2.2
89.02303	4.0
96.18459	1.2
97.02856	1.3
97.06465	1.9
101.02329	6.9
112.91738	1.4
113.02321	3.0
115.91943	2.5
119.03391	2.4
123.04383	1.5
125.09605	3.1
133.02872	1.3
135.04393	2.9
137.09526	2.4
141.22859	1.3
161.02318	2.4
161.04474	1.8
163.11169	6.1
171.10178	8.8
185.11745	2.0
191.05550	2.9
191.10672	1.6
191.14343	2.9
207.10286	1.3
209.11769	100.0
210.12146	6.0
211.13402	1.9
212.13849	1.4
222.90541	1.2
225.11327	1.6
226.09850	1.3
227.12859	10.1
229.08649	1.4
237.11227	2.1
245.19113	5.6
247.13304	1.9
253.09239	11.7
289.18097	30.6
290.18378	3.0
307.19107	26.4
308.19519	3.2
325.20160	1.7
326.15210	3.6
405.57663	1.5
493.28329	1.9
603.29266	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	604.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93024	0.3
55.01734	0.5
57.03313	0.6
58.00449	1.5
59.01252	26.5
61.98695	0.5
68.87776	0.3
69.18391	3.7
70.02843	1.8
71.01254	14.5
72.01553	0.4
72.99177	1.4
73.02815	0.9
76.54727	0.3
78.95738	0.7
83.01240	1.0
83.04907	4.0
85.02396	0.4
85.02831	3.2
85.39503	0.3
87.00767	0.4
87.88718	0.3
89.02319	11.8
95.01253	1.1
96.08031	0.5
97.69096	0.3
98.02378	0.8
99.04380	0.4
101.02327	8.6
108.08050	1.6
109.06474	1.7
113.02331	5.0
119.03385	4.7
124.07635	0.4
126.09123	3.2
136.07562	0.7
154.08629	0.6
161.04456	0.4
179.05510	0.7
199.70999	0.3
222.12120	0.3
223.20586	0.4
225.22194	9.1
226.22545	0.9
233.12483	0.4
253.21715	1.5
270.24326	1.6
271.22876	0.5
296.25803	0.7
297.98819	0.3
312.25357	1.3
325.26135	0.6
350.30701	0.8
362.30679	0.3
373.98004	0.4
380.31549	2.6
381.32040	0.4
398.32687	1.1
424.30566	0.7
477.66119	0.3
560.37970	0.9
604.37048	100.0
605.37390	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77050	0.8
57.03329	1.6
58.00471	3.0
59.01254	57.6
61.98709	5.0
69.03349	1.8
71.01257	33.3
72.99192	3.6
73.02838	4.5
75.00758	1.4
78.95780	1.0
79.54243	0.7
83.01273	2.5
85.02833	9.1
87.00780	2.6
89.02325	26.2
89.02845	1.6
93.03332	2.3
95.01283	3.2
96.95915	1.7
97.06491	1.1
98.19736	1.2
99.00777	1.5
101.02325	17.5
102.50353	0.8
113.02326	11.7
116.92699	0.9
119.03405	8.1
121.02876	1.2
133.02864	1.4
133.10063	1.5
134.03609	1.0
135.04417	2.5
137.02380	1.2
143.07051	4.8
149.04521	2.7
151.00296	1.8
157.08632	1.3
160.01598	1.8
161.02353	3.3
161.04483	2.2
173.04475	2.8
175.03972	1.8
178.99792	1.0
179.03467	1.7
179.05562	2.2
179.10773	1.7
183.10226	2.8
191.05524	4.7
203.18025	0.8
229.19687	1.6
247.17029	0.9
247.63438	0.9
273.18765	3.5
291.19714	10.9
293.21469	2.0
301.03589	5.9
309.20889	2.2
377.81161	0.9
386.26630	0.8
413.21735	1.7
453.25201	2.9
471.26035	100.0
472.26349	13.7
519.13513	0.9
543.28784	2.9
561.29114	3.9
603.30511	29.5
604.30713	4.9
613.80414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48950	2.5
54.27481	2.3
56.93101	2.6
57.03328	7.7
59.01247	100.0
59.57972	2.0
59.76283	2.1
60.01602	2.6
61.98696	39.1
68.95223	2.7
69.03333	2.6
71.01257	30.6
72.99194	3.1
73.00025	2.3
73.02813	3.7
78.87595	2.4
78.95782	4.5
83.04880	5.7
85.02841	8.4
89.02321	20.6
92.52584	2.5
93.03336	4.4
95.04929	3.7
97.02859	3.0
97.06452	11.3
98.20594	4.8
99.83085	2.4
101.02303	15.7
111.04403	3.1
111.08050	3.1
113.02326	10.8
119.03387	8.7
122.67373	2.3
123.04378	3.0
125.02418	2.8
125.05981	2.6
125.09631	4.0
127.05395	2.6
135.04449	4.8
143.03342	3.3
151.11177	8.5
155.10649	2.8
161.04520	7.0
163.11194	5.1
165.12798	12.2
173.04436	4.7
173.05913	2.6
179.05557	4.0
179.10690	5.0
181.12277	12.2
183.13832	5.6
191.05530	4.2
191.10683	8.5
200.04689	3.5
202.06267	8.3
209.11749	57.0
211.13342	9.7
226.09933	4.7
227.10858	3.1
227.12840	14.9
229.08667	11.9
243.18094	2.7
245.19003	13.0
246.08925	3.0
247.09775	3.8
253.09268	32.6
255.13858	10.2
263.20120	15.0
289.18094	22.1
290.18472	2.7
307.19144	94.4
308.19437	11.5
325.14658	3.4
326.15359	21.6
327.15460	2.7
445.20905	14.9
446.21042	3.5
506.21643	3.2
543.28070	9.8
603.28192	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	601.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	1.0
61.98698	2.9
68.56306	0.5
71.01256	0.5
71.49788	0.8
78.95793	0.8
93.03326	0.5
108.13000	0.5
152.99532	0.7
171.10175	1.2
177.12743	0.5
191.05507	0.5
192.24684	0.6
193.35765	0.6
211.13376	1.0
227.04576	0.5
250.08365	0.8
325.80515	0.6
361.65826	0.6
404.78897	0.5
599.71942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95681	0.4
57.03322	0.8
59.01250	100.0
59.42442	0.4
60.01571	0.6
61.98702	3.4
70.25118	0.4
70.65240	0.4
71.01251	1.4
71.49808	0.5
73.02758	0.4
80.36370	0.4
81.03326	0.9
83.04916	1.9
85.02845	0.5
85.22133	0.5
90.25475	0.5
95.04881	0.8
97.06459	0.6
107.04919	1.0
108.02077	0.5
109.06494	0.7
111.00781	0.8
111.04459	0.5
118.43221	0.4
121.06545	0.5
123.04421	1.3
123.08028	0.7
125.02380	0.4
133.02882	0.6
133.06519	0.6
135.04446	1.5
137.02345	0.7
145.31487	0.4
151.07550	0.5
154.99033	0.4
155.08562	0.4
161.09711	0.6
171.10170	6.1
179.07060	0.4
179.60530	0.4
183.13947	0.5
183.92442	0.5
201.11223	0.7
209.11726	0.6
210.57838	0.5
211.13327	7.6
211.15172	0.6
216.67854	0.4
253.09491	0.6
265.10733	2.8
343.24866	0.5
407.13828	1.7
447.22253	0.6
466.38861	0.4
495.24115	0.5
541.24329	0.6
601.26544	3.1
602.26740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03320	2.3
58.00465	2.9
59.01249	58.1
60.01581	0.8
61.98703	22.9
69.03325	1.2
71.01251	55.8
71.49630	0.5
72.01588	0.8
72.99181	5.0
73.02821	3.6
75.00731	0.5
78.95773	6.5
81.03316	0.5
83.01253	7.4
84.66206	0.4
85.02819	10.6
87.00749	19.8
88.01073	0.5
89.02314	60.2
90.02637	0.9
95.01251	3.7
96.96880	0.4
97.02805	1.2
99.00746	1.6
99.04402	0.6
101.02321	28.5
102.02680	0.5
111.00758	1.1
113.02328	29.8
114.02652	0.9
115.03888	1.1
117.01801	0.6
119.03384	21.5
120.03729	0.5
125.02347	1.7
129.01846	1.0
131.03397	3.6
141.01825	1.4
143.03384	7.5
149.04466	1.8
152.99480	4.4
161.04456	9.2
171.10167	3.6
179.05524	21.9
180.05910	0.4
195.13843	0.8
203.05507	0.6
218.85159	0.4
259.20767	0.9
273.22186	1.0
277.21710	100.0
278.22018	9.8
291.23276	8.0
292.23520	1.0
293.21176	1.7
301.21674	1.4
307.09448	1.0
319.22794	3.9
320.23245	0.5
323.09808	13.9
324.10275	0.8
325.10019	0.4
341.10858	41.9
342.11179	3.4
360.77945	0.4
365.17056	0.4
429.20432	1.9
447.21518	0.5
601.31927	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	601.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49357	0.2
59.01250	100.0
60.01596	1.0
61.98708	2.4
71.49972	0.4
77.20575	0.2
78.95801	0.7
113.33396	0.3
125.09679	0.3
148.16505	0.2
152.99481	0.4
171.10214	0.5
181.34837	0.2
205.84317	0.2
209.11859	0.5
211.13348	0.4
314.99191	0.2
359.25888	0.2
469.68036	0.2
541.32153	0.5
588.29785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	58.3
57.31427	2.1
58.11079	1.9
59.01250	100.0
61.98697	10.5
67.01747	4.5
71.01252	27.1
72.99181	6.8
73.02814	14.8
81.03308	5.2
83.01263	6.0
83.04891	2.0
85.02814	8.2
87.00742	4.6
88.98674	4.0
89.02323	14.9
89.50437	2.0
93.03335	27.4
96.95890	6.0
98.20564	5.4
99.04394	74.0
99.36022	2.2
101.02336	30.8
109.02852	3.5
111.04385	6.2
113.02320	10.4
118.68088	2.1
119.03371	8.5
125.01467	2.9
125.02333	38.8
129.12239	2.0
133.02795	3.0
134.03604	2.9
135.04379	5.5
137.02359	4.0
143.03412	7.0
149.04411	5.0
150.03059	5.7
151.03889	4.8
155.03419	3.0
161.02316	6.5
161.04443	5.2
165.05505	4.7
171.10213	12.8
172.05196	3.5
173.04494	29.3
173.05893	3.7
175.03865	4.9
175.07503	4.3
179.03284	3.4
179.05492	3.1
181.05060	2.6
186.06819	3.5
187.03957	3.9
187.07527	8.7
189.05525	2.3
189.12781	10.4
191.05531	44.5
192.48280	2.2
200.04706	5.1
201.05498	9.0
201.09140	5.2
202.06262	9.2
203.05443	2.4
203.07089	8.1
209.11780	8.6
211.13295	4.3
214.06335	4.1
215.06990	3.0
215.32762	2.0
223.03772	2.0
229.08653	27.0
230.09406	21.7
231.10257	2.1
232.07396	6.6
233.08188	3.9
247.09703	5.3
269.04572	4.0
269.11545	2.4
299.01999	2.5
327.15112	2.5
343.17584	2.6
389.16068	3.1
399.41821	2.2
403.13895	3.3
403.46475	2.4
407.17114	4.4
409.15149	13.4
410.15625	7.6
423.13919	2.8
425.18839	2.2
507.22385	4.7
563.21332	11.5
581.22473	16.2
599.22607	7.0
599.31488	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	598.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.2
61.98704	13.8
70.09794	1.1
70.10201	2.2
71.01259	3.2
73.02811	1.4
75.00726	2.8
81.03323	5.5
83.01254	0.7
83.04896	17.5
84.05229	1.9
85.02819	1.9
89.02306	2.8
93.03333	2.0
94.06487	2.6
96.95904	0.9
98.39913	0.6
100.07568	2.8
101.02319	1.2
106.06522	2.4
107.03651	3.6
108.04442	0.6
111.04509	0.6
113.02319	1.2
113.70760	0.5
119.03497	0.7
120.04424	0.7
122.06016	22.7
123.04348	0.7
123.06382	1.0
124.07556	4.0
132.04451	13.0
133.05284	5.5
134.06044	6.1
135.04424	1.3
139.02618	0.9
146.06026	1.8
148.03876	0.6
149.04495	3.4
150.05568	0.7
152.07079	64.4
153.07448	3.0
161.02362	2.7
164.03415	1.2
165.04207	8.9
166.04948	1.0
167.03426	0.7
168.06543	1.0
173.04472	1.6
179.03357	1.0
186.09264	0.7
191.05545	4.0
199.18121	2.0
213.06712	0.9
214.12314	1.8
215.11855	2.6
223.08812	0.8
225.16106	3.0
226.07494	0.9
226.12273	3.3
226.16389	1.3
227.08159	0.6
229.09842	1.9
239.11943	3.0
240.08966	0.7
241.09811	2.6
243.17110	6.8
244.17468	1.5
251.11691	1.1
253.09824	1.6
254.10622	1.5
255.11131	0.8
257.12921	25.8
258.13327	2.7
267.11407	2.4
269.12927	11.4
270.13455	1.8
279.11359	0.9
281.12918	0.9
283.10858	2.6
297.12430	9.7
298.13120	6.0
299.13672	0.7
301.11902	1.9
302.12704	2.7
303.21686	1.5
304.22180	1.1
330.12125	5.9
331.12598	0.9
353.20889	2.6
354.21179	1.0
394.21478	3.1
404.19446	0.7
422.20740	6.1
423.21072	1.4
438.20364	1.8
448.18771	1.7
465.26871	4.9
466.19843	100.0
466.27194	6.4
467.13708	1.1
467.20129	14.8
467.26724	0.9
469.34192	3.1
470.34119	3.3
508.20883	2.2
513.92010	0.7
579.37878	0.9
580.37646	1.0
597.29285	1.6
597.38678	27.6
598.24127	48.7
598.39154	30.9
599.15094	2.1
599.24213	10.8
599.39478	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	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97681	4.3
58.00472	6.6
59.01248	100.0
59.32628	3.8
60.65144	4.7
61.98698	14.1
62.76966	4.2
69.81735	25.5
71.01254	77.2
71.32473	4.6
72.99183	7.3
85.02824	10.0
87.00771	9.2
89.02319	94.5
92.84595	4.3
93.03348	13.0
95.01253	5.8
96.95927	4.7
101.02329	35.0
113.02373	22.7
119.03413	30.1
119.04900	16.2
121.02815	5.1
131.03415	4.7
135.04407	6.5
143.03325	13.0
149.04475	11.2
156.38681	4.9
157.03062	6.8
161.04456	8.6
162.03139	13.1
163.03908	9.6
166.06120	6.5
173.04474	9.6
173.11870	6.4
175.04184	5.8
177.05588	11.5
179.05545	26.2
187.07553	10.5
187.09618	7.0
191.05550	48.4
202.06401	10.5
217.49257	4.6
223.07552	5.6
231.10225	20.6
239.10806	5.3
258.53555	4.8
262.49310	4.5
282.07446	4.8
283.09793	11.0
327.08618	12.2
362.52844	4.9
411.16608	34.0
467.21243	10.5
492.32562	5.4
531.47162	5.0
533.38586	4.5
599.15942	83.9
599.24976	7.9
600.15649	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	597.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
58.02836	0.8
59.01249	15.2
60.54594	0.4
61.98703	8.2
62.23946	0.4
67.01743	0.8
69.03307	0.5
69.34982	2.8
69.35409	1.2
71.01252	8.5
72.99179	1.4
73.02826	3.5
75.00741	9.3
78.95761	0.4
81.03329	14.5
83.01270	1.2
83.04894	40.0
84.05231	0.9
85.02814	3.7
87.00763	2.2
88.98679	1.4
89.02305	3.0
91.01760	0.8
93.03338	1.7
94.06481	1.1
95.01253	1.0
96.95876	1.5
97.02846	0.6
99.00748	1.0
100.07550	5.8
101.02313	4.0
103.17963	0.4
106.06496	0.9
106.36746	0.5
107.03642	1.0
108.02121	0.7
109.02821	1.1
111.00772	1.1
111.04404	0.9
113.02322	1.4
116.92741	0.9
117.06432	0.5
119.03394	1.1
122.05998	10.9
123.00787	0.5
123.04421	3.2
124.07567	1.6
125.02342	0.8
125.07162	0.6
126.05489	1.3
127.03847	0.7
132.04433	5.3
133.02870	1.3
133.05240	2.7
134.06023	2.4
135.04457	2.3
137.02315	0.6
139.02675	0.5
146.06026	1.9
149.04422	3.0
151.00261	1.5
152.01047	1.6
152.07072	23.9
153.01782	0.5
161.02344	3.6
161.04489	0.7
163.03969	0.6
165.04202	3.0
165.05415	0.8
166.02644	1.4
166.05034	0.8
167.03406	8.7
167.78722	0.4
168.03864	0.4
168.06525	0.5
173.04459	2.1
173.05818	0.5
173.33513	0.5
177.05467	0.5
178.05072	0.5
179.03421	1.2
181.05022	1.6
182.15450	0.5
191.05553	6.5
192.26472	0.5
194.02171	1.1
199.18102	7.0
202.06302	0.6
203.03398	0.5
207.14990	0.9
209.04486	7.3
213.06685	0.6
214.12297	0.8
215.11914	1.2
224.17632	0.6
225.13805	0.7
225.16014	9.9
226.12369	1.2
229.09695	1.1
239.11877	1.3
240.08908	0.6
241.09795	1.1
243.17108	20.9
243.19450	0.7
244.17392	1.3
255.02931	0.7
257.12906	11.2
267.11520	0.9
269.06693	1.9
269.12915	4.1
269.15393	0.9
279.11533	0.7
283.02850	0.6
283.10815	0.6
285.20773	1.4
297.12442	4.5
298.13165	2.2
301.03510	0.7
301.11896	0.8
301.20251	0.6
302.12601	1.1
303.21704	8.0
304.21915	0.9
309.21909	1.3
330.12183	3.1
353.20782	8.0
394.21652	1.1
405.15283	0.7
422.20798	2.4
438.20490	1.2
447.26068	1.2
448.18927	0.8
451.33115	1.7
452.32962	0.7
465.20200	0.7
465.27002	39.8
466.19873	47.3
466.27237	4.7
469.33917	14.4
470.34232	2.0
508.20950	1.0
553.39996	0.5
579.37750	3.6
597.24969	5.2
597.31262	6.3
597.38812	100.0
598.24176	23.9
598.39178	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	597.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70108	0.3
54.29170	0.3
55.01749	1.2
57.03322	1.0
57.39205	0.3
58.00469	0.7
59.01251	11.5
61.98694	2.4
69.03320	0.6
70.98764	0.9
71.01250	10.5
71.04874	0.8
72.99174	1.0
73.02817	5.7
81.03312	0.4
82.49982	0.3
83.01254	2.2
83.04897	0.3
85.02820	4.7
85.06463	0.8
85.99973	0.7
87.00756	2.0
89.02305	3.0
95.01275	1.2
96.95901	0.8
97.02784	0.6
99.00757	1.2
99.04418	0.3
99.08028	1.5
101.02324	7.4
111.00745	1.4
112.01569	0.3
113.02319	2.5
116.92813	0.3
119.03366	0.6
124.01556	0.5
125.02337	0.9
127.11179	0.7
129.01869	0.3
129.09087	1.3
131.03400	0.5
133.02800	0.4
135.04375	0.5
143.10663	0.8
149.04433	2.2
155.10675	0.6
161.02354	0.3
161.04509	0.7
179.03474	0.8
191.05545	1.3
229.08603	0.5
239.20154	0.4
257.21161	0.4
285.20728	6.8
286.21313	0.4
289.78693	0.3
301.20175	0.7
303.21762	24.3
304.22162	1.8
327.21942	0.6
345.01395	0.3
345.22745	0.4
384.71219	0.3
421.03265	0.4
429.24826	1.1
447.25980	11.0
448.26382	1.3
465.27008	100.0
466.27319	11.8
477.47275	0.4
597.31256	28.3
598.31812	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	597.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66544	0.5
55.01759	10.8
57.03327	1.8
58.00460	0.4
59.01251	13.2
61.42347	0.4
61.98700	2.8
64.81152	0.4
67.01780	0.8
67.59840	0.4
69.03358	1.0
69.79507	2.6
71.01254	14.5
72.01602	0.4
72.99185	1.9
73.02818	4.5
73.03162	0.5
74.20180	0.5
75.00747	10.4
81.03329	0.5
83.01257	2.9
83.81036	0.5
85.02824	6.5
87.00746	3.5
89.02306	3.9
93.03340	2.1
95.01282	1.3
96.95897	0.9
97.02825	0.9
99.00764	1.4
99.08021	0.6
101.02332	9.2
111.00788	1.8
113.02339	3.3
116.92751	1.0
119.03405	1.2
123.00759	0.7
124.01575	0.5
125.02332	1.7
129.01843	5.8
135.04454	0.9
141.12781	0.8
147.02890	5.7
149.04546	1.0
151.03882	0.5
161.02382	1.5
161.04498	0.5
165.03926	1.6
168.04149	0.7
173.04526	2.2
173.05830	0.6
174.04883	0.8
179.03400	0.9
181.04980	1.6
191.05574	5.4
192.05794	0.6
196.07304	1.5
211.09695	1.3
269.21292	1.7
287.22281	32.2
288.22556	2.8
301.23499	0.7
312.12537	1.1
329.23187	0.6
342.16919	1.2
431.26376	5.1
432.27060	0.7
449.27548	100.0
450.27921	10.7
597.15894	1.8
597.31274	64.8
598.17633	0.6
598.31989	9.5
615.86963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
57.75566	1.3
59.01237	12.1
60.99179	16.7
61.98703	29.1
67.01753	1.4
69.03365	1.3
71.01252	6.4
71.50911	1.5
71.51303	1.3
73.02811	1.6
73.95509	1.2
78.95764	2.7
85.02820	2.9
87.00749	3.5
88.98676	100.0
89.02309	6.1
91.01766	1.6
91.39803	1.1
93.03341	10.7
94.03663	1.4
98.01703	1.1
99.00700	1.3
101.02317	2.7
105.03362	1.6
109.02826	1.4
111.04364	2.8
113.02300	1.8
119.03390	1.7
121.02892	1.5
123.04399	3.9
131.03336	1.2
133.02869	10.3
134.03654	7.6
135.04404	4.6
137.02303	5.6
149.04437	4.2
155.03381	2.0
161.02371	3.2
165.01897	1.5
167.03380	11.6
170.06076	1.3
171.10138	1.6
173.04497	17.5
174.04710	1.2
177.01880	9.9
178.02643	11.8
179.03355	4.0
181.85472	1.3
187.07597	1.5
191.05524	7.2
192.05742	1.5
199.09676	3.3
199.13379	1.9
201.05566	1.7
206.46637	1.2
209.11723	1.6
215.07021	1.3
229.08551	2.4
230.09312	2.8
231.10153	3.2
247.09631	2.0
275.09271	12.4
305.86478	1.2
404.25250	1.2
423.16403	1.5
449.14438	3.1
475.32553	1.3
579.22125	3.6
580.22089	1.5
597.21832	2.6
598.21655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01163	0.6
59.01231	1.6
60.99177	1.3
61.98704	3.9
64.46438	0.6
69.99358	2.3
71.01253	0.8
72.93128	0.6
85.02828	0.8
87.43084	0.5
88.98676	6.7
93.03333	0.9
108.02017	1.0
109.02852	2.9
109.16501	0.5
121.02822	2.4
122.03629	1.1
123.00751	2.5
123.04395	0.9
124.01521	1.8
125.02345	0.7
133.02849	1.4
134.03636	1.2
135.04395	1.0
136.01563	54.1
137.02386	7.9
139.00179	0.9
139.03897	1.0
145.02815	0.9
147.04424	1.1
149.02361	1.1
151.00290	11.3
151.03917	60.6
152.00966	1.0
152.04350	2.4
159.04436	1.0
160.05141	1.8
161.02356	1.1
161.06029	1.4
162.03140	1.6
163.03969	1.5
164.04671	0.6
166.02628	33.7
167.03415	3.5
172.05266	0.7
173.02382	0.9
173.04442	1.6
173.05865	0.8
174.03188	1.0
175.03896	2.5
176.04651	1.0
177.01888	2.2
177.05461	1.9
178.02576	0.8
179.03313	1.2
181.04985	41.1
182.05334	2.4
189.05441	2.5
190.06303	2.0
191.03389	2.2
191.06987	0.7
192.04111	1.1
193.05138	0.7
203.03427	0.7
205.04964	2.9
205.08545	1.2
206.05750	3.8
218.05795	0.6
219.06560	0.7
220.07341	1.6
221.08174	8.2
233.08194	1.0
266.05829	0.9
275.09235	0.7
282.05304	1.1
294.05228	1.5
297.07739	1.6
309.07523	2.8
324.10025	2.3
327.08713	2.5
327.12125	0.6
329.10303	2.5
341.13974	0.7
342.11087	8.1
343.11624	1.6
357.09662	12.7
357.13446	46.1
358.09991	1.6
358.13837	4.7
369.13400	2.6
369.30167	0.7
371.15195	2.2
372.12042	6.8
373.12531	1.4
387.14484	100.0
388.14810	11.5
401.16025	1.4
451.85846	0.6
482.53775	0.6
567.22351	2.4
578.09418	0.6
597.23004	5.0
598.24078	1.0
615.53516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.7
60.04019	1.5
66.18941	1.6
69.71735	8.8
71.01242	6.0
72.99181	1.9
73.02823	3.3
75.00764	1.8
81.03319	2.3
83.01262	4.3
83.04878	1.5
85.02819	3.6
87.00753	37.5
92.48977	1.6
93.03317	2.0
96.95882	2.3
99.00794	3.1
100.01516	2.3
101.02332	4.2
109.02836	2.9
109.99992	3.0
111.00761	45.0
121.02834	5.1
122.03621	10.1
123.00724	1.8
125.02267	1.9
129.01797	1.7
131.03410	2.2
133.02853	2.8
135.04373	3.3
136.01526	1.5
142.99776	1.8
147.02856	1.9
149.02354	32.7
150.03136	91.4
151.00244	2.0
151.03954	9.0
153.05484	2.8
161.02344	2.9
163.03951	1.7
164.04675	14.5
165.05482	100.0
166.02573	3.5
166.05814	4.7
172.81487	1.6
176.04665	3.1
179.03442	5.6
179.07025	13.0
180.04143	7.9
181.04944	7.6
191.03459	2.6
194.05711	8.7
195.06564	31.6
196.07005	1.6
205.05026	2.8
209.08151	11.0
234.05409	2.5
246.05272	2.0
247.05988	2.4
249.04085	4.6
249.07661	5.5
253.81908	1.8
263.05820	1.8
264.06384	13.9
265.07132	11.2
279.08673	2.6
291.08591	3.9
337.09280	10.1
357.13284	2.4
413.12473	7.5
461.14542	60.4
462.14911	9.2
473.14163	2.4
487.16022	2.5
505.17145	2.2
521.16760	3.2
579.16882	8.3
597.18250	90.7
598.19092	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12001	1.0
58.13297	1.0
59.01235	2.5
69.03320	1.7
69.34389	5.4
69.34811	2.3
71.01253	8.3
72.99190	1.0
73.02808	4.0
81.03328	1.3
81.46699	0.8
83.01256	3.5
85.02824	3.9
87.00755	29.3
93.03327	3.9
95.01271	1.5
97.02821	2.7
98.20634	1.7
99.00742	2.9
100.01514	3.7
101.02319	2.6
105.03304	1.0
109.02807	2.3
110.99997	1.0
111.00764	19.5
112.98691	4.7
121.02849	6.1
122.03630	14.0
123.00748	8.7
123.04401	3.0
124.01543	1.0
125.02245	1.0
127.03860	1.5
129.01778	1.8
131.03386	2.0
133.02892	1.4
134.03702	1.0
135.04399	1.8
136.01561	2.5
138.03128	1.7
142.99786	4.0
145.01294	1.1
147.02898	1.6
147.04478	1.0
149.02342	29.7
150.03127	100.0
151.00262	3.3
151.03934	8.0
153.05429	2.3
161.02350	5.5
162.03188	1.6
163.03897	4.6
164.04706	14.1
165.05481	95.7
166.02638	5.5
166.05809	4.6
167.03397	2.8
173.00806	7.6
173.02266	2.0
174.01579	3.2
175.03893	3.5
175.07489	1.7
176.04692	5.6
177.01695	1.2
177.05437	1.8
178.06206	2.7
179.03413	7.7
179.07040	7.6
180.04181	6.7
181.04948	7.8
188.04688	1.4
189.05464	1.8
190.02609	1.8
191.03458	6.5
191.05295	1.4
191.07072	3.6
191.91154	0.9
192.04196	1.6
192.07559	1.0
193.04836	1.3
193.08644	1.7
194.05789	8.2
195.06552	42.5
196.06860	2.0
203.03412	3.5
204.04356	1.9
205.05005	4.5
206.02179	1.4
206.05766	3.2
207.06589	1.4
209.08156	6.2
219.02922	3.9
219.06549	1.7
220.03596	1.3
221.08131	7.2
222.05223	1.0
231.02876	1.3
232.03673	1.3
233.04539	1.3
233.08170	1.9
234.05284	1.9
235.05783	0.9
245.04486	1.1
246.01695	1.0
247.02441	3.9
247.06189	1.4
249.04037	2.4
249.07574	4.0
261.04010	3.6
262.04767	6.8
263.05832	1.2
264.06372	4.8
265.07224	4.5
276.06415	4.1
277.07144	11.4
278.07599	1.2
291.08792	1.3
295.08536	1.1
320.42987	1.0
321.09601	1.0
322.07474	1.3
325.09201	1.1
337.09268	32.4
338.09564	4.0
339.08820	1.4
358.65417	1.0
369.13364	8.8
370.13589	1.5
397.12741	1.0
400.10190	1.1
413.12375	3.8
425.12244	1.2
443.13388	2.5
461.14493	35.4
462.14804	3.6
464.71323	1.1
467.36664	1.1
473.14578	3.6
485.14499	1.5
491.15295	2.6
521.16614	3.8
531.15234	1.7
533.16650	8.7
534.17114	1.7
579.17230	15.4
580.17633	2.0
597.18201	87.3
598.18549	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	595.2975
Annotation	Dictamnoside M
Peak:m/z	Relative Intensity
55.01743	4.4
57.03317	3.9
59.01250	70.6
61.98690	1.9
67.01761	2.3
68.61585	1.8
69.03337	4.8
70.10316	2.2
70.95238	5.6
71.01254	75.7
72.99177	7.6
73.02820	32.5
75.00735	3.0
81.03345	3.8
81.69408	2.0
83.01258	14.0
85.02825	23.0
87.00748	20.8
89.02312	52.4
93.03342	16.9
95.01236	5.4
96.95926	2.4
97.02827	17.6
99.00761	4.9
99.04418	3.3
101.02325	78.2
111.04369	4.4
111.56631	2.0
113.02327	28.3
115.03885	3.5
119.03382	20.8
121.53613	2.1
123.04371	2.8
125.02356	5.0
131.03394	6.0
135.04396	4.5
137.02336	2.2
143.03380	15.6
149.02338	2.8
149.04434	13.3
150.03154	2.3
155.03410	3.8
161.02399	3.3
161.04468	71.4
173.04500	25.4
173.05898	3.5
179.03377	4.8
179.05531	39.1
187.07579	2.9
191.05544	53.1
192.05923	3.3
200.75925	2.2
221.06602	9.2
254.09473	2.9
255.03084	2.5
255.10497	2.5
255.13846	3.0
263.07736	16.0
271.02563	4.9
271.19095	5.2
283.13461	5.5
300.02814	5.9
301.03391	3.5
311.12955	5.8
327.15689	4.6
353.14117	2.5
359.18744	3.5
371.14908	10.4
385.16391	7.4
389.16220	3.3
397.13788	2.3
403.18005	4.1
415.23395	3.7
433.24530	11.5
434.25397	2.4
463.25104	3.5
563.20575	3.4
577.22931	4.7
595.13092	6.7
595.29742	100.0
596.30219	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.0
61.98714	1.6
69.78873	7.5
71.01259	7.8
72.99199	1.8
73.02821	4.1
77.97356	1.1
83.01283	2.7
85.02799	2.9
87.00754	12.7
89.02303	3.3
93.03330	3.6
96.95923	1.2
97.02863	1.3
99.00760	2.8
100.01549	3.9
101.02355	2.9
111.00780	11.3
112.98666	4.3
113.02324	1.4
121.02859	7.2
122.03630	12.4
123.00755	6.3
127.03859	2.0
129.01921	1.5
133.02861	2.0
135.04422	2.8
136.01541	1.7
137.02333	1.9
140.22525	1.2
142.99739	3.6
145.01433	1.8
149.02345	22.1
150.03134	100.0
151.00259	2.0
151.03615	4.7
153.05527	1.3
161.02332	3.5
163.03902	4.7
164.04677	11.7
165.05495	93.0
166.02617	4.7
166.05821	3.3
173.00839	6.9
173.02271	2.0
174.01599	6.1
176.04622	2.8
177.01881	1.5
178.06142	1.5
179.03401	5.7
179.07069	7.4
179.08392	1.1
180.04221	6.3
181.04980	5.9
191.03392	3.3
191.05476	3.4
191.06995	2.4
192.04201	1.2
193.08623	2.7
194.05757	4.8
195.06561	60.9
203.03407	2.7
205.05107	2.5
206.05757	1.5
209.04520	2.3
209.08133	4.9
219.06677	1.6
221.08163	4.4
231.03177	1.5
234.05316	1.3
247.02412	4.7
249.07733	1.8
261.03894	1.4
262.04761	5.8
264.06342	4.0
265.07172	4.3
276.06293	2.8
277.07162	11.3
291.09048	1.4
295.08350	2.3
305.50473	1.4
312.10068	1.7
327.12338	11.5
328.12704	1.4
337.05420	2.5
337.09302	39.6
338.09586	3.8
375.14420	4.0
400.10074	1.3
435.13129	1.3
461.14566	30.8
462.15149	3.6
473.14401	3.1
491.15759	2.5
521.16699	3.3
522.17865	1.3
533.16638	3.0
534.16840	1.6
579.17365	9.4
580.17493	1.6
597.18268	97.0
598.18451	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	595.2795
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
57.03328	0.5
59.01249	2.6
61.98701	2.6
63.96117	1.0
69.03328	1.2
71.00898	0.6
71.01250	6.4
73.02812	2.1
78.98046	0.5
78.98462	4.5
79.95607	10.8
80.96391	64.4
81.03291	0.5
85.02834	3.1
87.00755	3.1
93.03333	0.4
94.23070	0.4
94.97962	15.5
95.01295	0.7
96.95869	1.1
97.02833	1.3
99.00782	0.7
101.02323	3.1
106.97984	3.3
110.19749	0.4
113.02312	1.0
121.02867	1.6
122.97468	4.7
125.02351	3.0
127.03894	1.0
134.97479	4.9
136.99055	1.3
146.97464	0.4
148.99049	5.9
152.98534	7.1
153.02063	0.4
164.98546	11.0
180.51514	0.4
182.99640	2.3
191.05611	0.5
192.12447	0.5
195.13783	1.2
206.99658	2.4
209.04507	0.8
209.11766	0.5
210.04860	0.7
225.00699	18.6
226.00967	0.6
229.60983	0.4
243.01804	1.6
267.70523	0.5
271.02405	0.8
295.22818	1.7
299.04398	3.2
300.02634	1.0
300.06421	0.4
319.61612	0.4
558.98737	0.4
595.27936	100.0
596.28259	18.0
596.35620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84084	0.5
59.01241	1.4
66.86307	0.5
67.37182	0.5
70.25642	0.6
70.25982	2.0
71.01234	0.7
71.27237	0.5
78.95772	64.1
96.96829	10.4
108.45385	0.5
144.19569	0.5
150.97876	1.1
152.99484	100.0
153.99808	1.7
171.00616	2.9
171.10271	0.5
209.11772	1.8
223.00063	9.6
241.01137	24.1
242.01468	0.7
259.02213	1.4
261.22147	0.5
279.23273	61.5
279.61618	0.5
280.23608	7.6
295.22684	0.8
311.22202	0.7
315.01297	1.1
315.04858	16.3
316.05298	1.5
333.05783	1.3
595.28864	93.6
596.29114	17.6
601.23743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01250	0.4
62.96281	0.4
70.88319	0.9
78.95780	67.3
91.37597	0.4
93.69148	0.4
96.96848	13.6
114.45055	0.4
117.40214	0.4
148.94695	0.5
150.97928	0.7
152.99498	100.0
153.99873	1.5
171.00560	2.6
178.40038	0.4
185.71246	0.4
209.11772	2.7
223.00096	10.4
241.01169	23.2
242.01527	1.0
259.02176	1.5
261.97583	0.4
267.56189	0.4
279.23303	65.6
280.23627	6.7
311.22223	1.2
315.04874	17.9
316.05298	1.0
333.05872	1.4
595.28918	86.7
596.29242	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	595.2892
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01243	3.8
61.07991	1.4
61.98709	1.6
71.01237	3.3
78.95773	79.1
85.64019	1.3
96.96844	19.2
103.76453	1.6
105.02734	1.5
108.67435	1.6
109.80445	1.7
121.02841	3.6
125.09647	1.5
150.98013	1.8
152.99487	79.0
171.10179	2.5
181.12212	2.0
182.03308	1.4
195.13818	1.7
197.11800	1.7
207.10239	2.9
209.11740	6.6
223.00047	2.6
225.11288	6.1
229.81624	1.5
241.01134	34.2
242.01648	2.1
243.12358	2.5
271.02676	1.8
277.21674	2.3
279.23288	66.9
280.23624	6.3
295.22855	5.3
299.57327	1.5
300.02728	5.7
301.03482	2.4
311.22296	5.1
315.01547	1.9
315.04831	11.3
415.22632	5.2
433.23560	2.9
595.13251	4.5
595.28943	100.0
595.37781	6.2
596.29370	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	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40900	1.7
58.00452	2.2
59.01249	71.5
67.01764	2.3
69.03329	3.1
71.01253	42.9
71.50074	2.3
72.99187	5.9
73.02825	6.6
75.00744	34.5
79.06283	2.0
80.00109	1.9
83.01260	5.0
85.02818	12.7
87.00760	8.3
89.02319	36.1
93.03354	12.4
95.01267	2.4
97.06527	2.5
99.00739	2.9
101.02312	23.7
101.33147	1.7
109.02842	2.6
111.00796	2.3
111.04424	3.2
113.02339	10.9
119.03414	12.3
121.02805	2.7
123.00800	5.7
125.02357	4.1
133.02870	4.5
135.04419	5.1
136.01500	2.7
137.02356	3.5
138.03156	4.6
139.00276	4.2
139.04099	2.2
147.04512	2.8
149.04475	7.8
151.00294	12.9
151.03979	2.9
153.01874	8.6
153.05502	2.6
155.03362	3.3
158.03635	4.9
159.04433	5.9
160.05214	9.3
161.02289	2.4
161.04439	2.7
163.03896	2.0
166.02617	20.9
173.04506	15.9
173.06015	6.8
174.03120	3.7
175.03929	10.9
175.07538	4.1
178.99765	3.4
179.03348	4.5
179.05521	3.8
181.04997	35.8
187.03943	4.8
188.04691	4.0
190.06323	6.4
191.05527	36.5
191.07103	3.1
192.05734	2.4
197.11765	2.6
200.04794	2.1
202.02696	2.4
202.06293	2.4
203.03415	11.6
205.08691	7.3
217.05087	5.6
218.05731	16.1
219.06528	3.0
233.08125	19.7
239.20007	2.4
254.09570	3.2
255.02977	6.4
271.02478	14.9
272.03070	2.8
283.13409	6.1
283.19058	5.7
298.12054	2.1
299.02136	4.3
300.02719	12.8
301.03534	6.8
311.12881	4.4
316.02332	3.2
323.05557	2.7
327.16019	4.8
331.07822	2.0
339.08862	4.0
355.08356	9.2
359.18692	3.6
370.10825	7.2
371.15167	3.7
385.12863	49.8
386.13519	7.7
397.13101	5.8
403.13168	2.1
403.17926	3.4
415.14063	17.7
416.14578	3.5
436.98416	2.3
445.24734	2.5
463.25681	24.2
553.20905	2.0
577.22437	3.7
595.12903	8.5
595.20612	100.0
595.29749	10.2
596.20758	17.7
602.09088	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	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01259	1.7
59.35464	0.7
65.00222	0.9
67.01765	0.9
68.99686	0.8
69.30853	5.8
71.01258	2.2
73.02819	0.8
75.00722	0.7
79.01780	1.5
81.03341	1.9
83.01254	3.3
85.02840	0.9
88.65695	0.6
93.03339	7.3
95.01249	1.6
95.04887	0.8
96.95902	1.3
97.02831	4.0
98.20597	1.2
101.02344	1.4
105.03368	0.9
107.01273	6.2
107.04898	1.0
109.02831	2.6
111.04388	2.0
113.02327	1.8
117.03368	1.3
119.04913	37.0
120.05270	1.2
121.02842	3.8
123.00770	2.0
123.04403	3.5
125.02333	8.7
133.02856	1.1
135.04422	3.8
137.02351	5.7
139.03873	5.3
143.04935	5.3
145.02852	7.4
147.04419	2.6
149.02344	5.2
149.04494	0.9
150.03172	1.5
151.00261	4.1
151.03932	2.4
155.03406	1.3
159.04375	1.1
161.02365	2.1
161.05986	2.6
163.00284	3.3
163.03932	5.2
164.01085	1.3
165.01817	5.6
165.05476	1.0
167.03404	11.5
177.01868	5.9
177.05441	0.8
178.02449	0.9
179.03438	2.6
179.07043	0.7
181.01277	0.8
181.04909	0.9
185.06065	1.2
187.03934	6.9
189.05515	1.4
191.03413	3.1
191.05321	1.2
192.00597	1.0
192.03978	0.9
193.01370	11.1
193.04961	1.3
197.04483	2.5
199.07616	2.2
201.05553	1.1
203.07033	0.6
204.00604	0.7
205.01353	7.4
205.04941	1.2
206.02007	0.9
207.02907	4.9
209.04506	5.4
213.09239	0.7
216.21439	0.7
217.01315	1.5
219.02939	3.2
221.04459	2.0
223.02461	2.7
225.05412	0.9
227.07265	3.3
228.07338	0.8
233.04514	1.5
235.02457	15.4
236.02800	1.1
238.97035	0.6
239.05421	3.5
240.88716	0.6
241.08696	1.1
243.06647	1.3
245.08156	1.1
247.02483	2.1
248.03123	0.7
249.03983	2.2
261.04105	2.7
265.03488	6.4
265.08517	1.3
267.06674	0.8
269.08270	1.1
271.06149	4.7
273.04056	0.8
283.06128	2.9
283.09579	1.1
285.07492	1.1
295.04446	1.3
299.09222	0.9
311.09262	1.0
313.07156	18.5
314.07458	2.5
325.07126	7.8
326.07571	0.9
327.08517	0.8
337.07098	0.8
339.08725	1.4
343.08221	7.1
344.08502	1.2
353.06348	1.1
355.08221	100.0
356.08640	9.1
367.08340	4.5
383.07803	1.0
385.09256	77.1
386.09613	10.1
396.88611	0.6
397.09323	4.4
415.10287	24.0
416.10645	2.8
427.10355	1.7
439.10281	1.6
457.11407	8.6
458.11636	1.1
469.10992	1.0
475.12427	41.4
476.12598	5.6
487.12573	7.0
488.12704	1.3
505.13470	9.8
506.13626	1.4
577.15344	4.4
578.16199	1.0
595.16675	82.2
596.17029	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	595.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24060	0.3
63.02230	0.4
65.00195	0.9
65.31832	0.4
69.43333	1.8
69.43752	0.7
71.71928	0.4
81.79577	0.3
83.01271	0.8
98.19878	0.7
107.01259	2.2
108.02054	1.0
109.02837	1.1
111.26080	0.3
121.02822	1.8
125.02321	0.4
126.75593	0.3
128.85384	0.3
135.00780	0.5
137.02243	0.3
148.01564	0.9
151.00267	9.7
163.00298	1.8
163.01550	0.3
169.01378	0.6
178.99779	5.2
183.04454	0.4
197.97563	0.3
199.03824	0.5
201.05560	0.5
211.03893	0.8
215.03384	0.4
226.02672	1.3
227.03409	2.8
228.04103	0.4
229.05060	0.7
239.79237	0.3
243.02940	6.8
244.03465	0.7
245.04530	0.8
254.02141	1.7
254.32883	0.3
255.02969	18.5
256.03339	1.3
257.04364	0.3
271.02469	40.4
272.02914	4.5
273.04004	1.2
283.02463	0.9
299.01944	1.6
300.02731	75.1
301.03470	38.5
302.03842	3.1
309.82272	0.3
343.04489	0.9
463.08521	0.4
595.13000	100.0
596.13318	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	593.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.5
59.01255	100.0
60.99178	1.9
61.98710	69.8
70.37846	7.4
71.01252	18.9
72.99196	4.4
73.02833	6.9
78.95779	5.1
83.01270	4.1
85.02829	8.9
87.00744	4.9
88.98680	4.6
89.02322	11.7
93.03342	11.5
95.01250	2.0
99.00775	2.5
101.02339	13.0
104.60768	1.7
111.00742	3.6
113.02345	7.4
133.02859	1.8
135.04436	3.6
143.03441	2.8
149.04488	5.4
158.03636	2.3
159.04506	2.0
161.02293	2.2
173.04503	20.3
173.05894	3.1
179.03241	2.2
186.06789	3.5
187.07553	3.5
191.05566	17.0
201.05511	2.1
201.09230	1.9
202.06226	2.2
203.07008	1.9
209.11838	2.2
211.13208	2.0
227.03522	1.8
229.08653	7.3
230.09464	7.8
248.06892	3.5
255.03033	2.9
284.03125	4.4
345.30063	4.8
375.13284	1.9
461.28867	3.2
489.34344	38.7
490.34631	6.9
507.35498	19.6
508.35861	3.0
593.15070	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	593.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55473	0.7
57.03306	2.5
58.58876	0.7
59.01233	3.1
66.85343	0.7
67.48383	0.8
68.99699	1.0
69.03328	8.2
71.01255	2.1
71.04931	4.3
75.05180	0.7
78.95779	2.2
83.04900	1.2
95.04884	0.9
97.06457	1.4
112.46140	0.7
113.09625	1.8
119.03576	0.7
121.02863	1.1
123.08030	2.0
125.09606	3.3
137.09637	1.0
149.09596	1.4
151.11194	6.1
152.99469	2.2
153.12749	2.3
161.09613	10.2
162.09973	1.1
171.10306	0.8
179.10690	28.0
179.14224	1.3
180.10992	2.5
195.13840	12.2
196.14203	1.2
197.11758	88.6
198.12088	4.9
209.04604	1.0
209.11722	2.2
223.09663	5.0
225.11214	0.8
241.10791	12.4
246.35847	0.7
267.02606	2.1
277.21729	11.0
278.22046	0.9
284.03268	1.0
293.21426	1.6
295.22769	45.3
296.23245	3.9
297.13425	6.4
315.14447	14.1
593.36926	100.0
594.37262	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	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.00959	1.6
59.01246	25.0
61.98705	10.2
65.36177	0.7
65.49070	0.8
71.01246	4.3
71.50314	1.0
73.02805	1.1
78.95782	9.9
78.98473	3.0
79.95603	15.1
80.96390	26.7
82.95971	2.7
85.02818	1.3
87.00737	1.5
93.03307	1.6
94.97961	5.8
96.95872	1.2
101.02320	1.0
106.97990	1.3
113.09582	1.8
122.97480	1.4
125.02370	1.8
132.86237	0.9
134.97464	2.3
139.58472	0.7
148.99031	2.0
152.98438	1.7
152.99487	3.1
164.98503	4.0
168.04245	2.3
173.04468	1.4
179.14308	1.0
191.05501	3.1
195.13824	24.1
196.14107	1.3
202.31189	0.9
206.11578	0.9
206.99611	0.9
209.11781	1.4
224.06921	1.6
225.00723	6.0
226.00891	1.7
242.07993	5.1
255.03061	1.1
269.73209	0.7
271.02460	1.7
277.21756	18.5
278.22040	1.2
295.22772	100.0
296.23053	8.7
299.04321	1.2
300.02606	1.9
301.03732	1.1
449.23206	1.4
520.30438	68.9
521.30731	9.5
594.26636	42.7
595.12970	1.0
595.26733	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	593.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14398	3.9
59.01252	24.0
61.98705	20.5
71.01245	7.8
71.50230	7.5
72.66297	3.8
78.50003	3.2
78.95782	5.8
78.98456	5.2
79.95599	13.3
80.96388	75.8
85.02831	5.7
93.03309	4.2
94.97970	12.8
121.02836	15.4
142.43996	3.9
143.61148	4.2
148.99063	6.4
152.98526	6.6
164.98528	11.4
173.04457	4.9
175.16435	4.2
182.99527	4.0
191.05521	10.6
209.04501	7.1
209.11667	5.8
225.00705	18.3
227.03517	4.2
239.45082	3.7
251.38327	3.7
255.02869	5.0
272.86688	4.2
284.03165	9.9
287.80960	4.1
293.21509	5.0
343.96674	4.0
419.11160	3.5
593.15790	8.0
593.26349	100.0
593.35736	9.6
594.26538	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.8
59.01254	100.0
61.98702	4.9
71.01255	13.5
72.99178	2.5
73.02827	5.1
83.01270	3.3
85.02817	11.1
87.00748	2.7
89.02329	3.5
99.00741	1.8
101.02316	9.0
107.94997	1.6
113.02327	5.7
135.56818	1.6
149.04518	3.2
161.04379	2.0
173.04483	4.9
173.05920	2.3
173.94508	1.7
187.07632	1.8
191.05508	5.5
201.05544	3.9
202.06314	3.0
213.18518	2.4
227.03400	3.2
229.08696	5.5
229.67542	2.3
230.09378	2.9
255.02954	4.9
284.03290	5.9
299.25745	2.2
336.22293	2.1
345.30103	4.8
346.30597	2.1
374.49649	1.8
405.07162	1.8
489.34326	51.2
490.34305	8.0
507.35303	20.7
508.35638	4.4
549.36340	2.6
593.14893	2.9
594.15778	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.4
57.49026	0.3
59.01252	41.8
60.01573	0.5
61.98695	1.2
62.13593	0.3
67.01747	0.4
68.74937	0.3
69.03330	0.3
69.47126	1.0
69.47553	1.5
71.01253	9.5
72.99179	0.7
73.02820	7.3
75.00763	0.4
83.01255	1.1
85.02825	3.0
87.00757	2.9
89.02318	27.2
93.03336	1.2
93.70957	0.3
95.90559	0.3
96.95910	0.4
97.02861	0.4
98.20575	0.5
99.00768	0.7
101.02316	4.4
103.00259	0.6
103.03873	2.0
104.76143	0.3
111.00784	0.5
113.02346	2.1
131.03398	7.3
133.02869	0.9
135.04425	1.2
136.01608	0.4
137.02354	0.6
149.04463	100.0
150.04826	2.7
161.02364	1.0
161.04469	1.8
165.01933	0.3
167.03459	0.5
173.04494	1.7
179.03415	0.8
191.05508	3.6
192.62920	0.3
202.06320	0.4
227.03444	0.5
255.03046	1.3
276.72101	0.3
284.03259	1.5
285.04150	0.6
299.02130	0.6
351.07199	0.7
359.11017	0.4
375.23856	4.3
376.24200	0.4
389.12259	0.8
389.25281	0.5
417.24896	1.3
425.62439	0.4
461.23981	0.6
576.22412	0.3
593.15485	0.9
593.27863	2.7
594.27948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88231	0.3
54.09246	0.2
54.66133	0.2
55.01772	0.5
55.93810	0.3
57.03326	0.5
58.00488	0.3
59.01250	41.4
60.01598	0.6
60.99209	0.3
61.98699	0.8
69.03329	0.4
71.01250	9.5
71.50223	0.4
72.99190	0.6
73.02819	5.9
75.00735	0.4
81.03365	0.3
83.01276	0.8
85.02816	3.3
87.00750	2.5
88.24032	0.2
88.98689	0.5
89.02316	24.5
90.02643	0.5
93.03342	1.6
93.03838	0.3
95.01299	0.5
99.00776	0.7
101.02310	3.9
103.03867	1.5
109.02818	0.4
111.00811	0.4
113.02335	1.9
119.03416	0.3
125.02322	0.5
129.01831	0.3
131.03395	7.5
133.02838	0.7
134.03636	0.3
135.04462	1.7
136.01518	0.3
137.02371	0.6
146.03679	0.2
149.04459	100.0
150.04819	2.5
151.03850	0.7
161.02354	0.9
161.04472	1.2
167.03455	0.3
173.04456	1.2
176.16324	0.3
177.01874	0.3
178.02617	0.3
178.40833	0.2
179.03377	0.7
179.07002	0.4
191.05531	4.7
191.07156	0.4
192.05934	0.4
202.18103	0.3
229.11969	0.3
255.02975	0.9
280.07724	0.3
284.03287	1.0
285.04178	0.4
307.35089	0.3
323.63080	0.3
343.11731	0.4
351.07037	0.7
351.49048	0.3
352.07550	0.4
371.11337	0.4
375.23831	4.2
389.12341	0.6
417.24506	1.3
419.22357	0.3
461.24042	0.4
533.30511	0.3
549.29169	0.3
562.95923	0.3
593.13507	0.5
593.28546	2.6
594.27991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50070	0.5
56.16434	0.5
59.01248	2.7
62.96288	0.7
69.78456	3.6
71.01250	1.2
78.95775	80.6
84.36552	0.5
86.15949	0.5
87.00698	0.5
89.02334	0.8
96.96842	16.4
98.19752	0.6
99.94477	0.6
117.11316	0.5
119.03348	0.6
121.02850	1.0
150.97943	1.4
152.99489	74.1
153.99799	1.2
171.00517	0.8
178.02617	0.6
179.03410	0.6
179.05371	0.6
197.11720	0.5
209.11775	3.3
211.13495	0.6
222.99963	3.1
225.11111	1.0
241.01152	35.6
242.01567	1.1
259.02341	0.7
259.20422	0.5
275.20282	0.8
277.21710	55.5
278.22046	5.6
309.20526	1.0
311.22272	1.0
315.04886	12.8
413.20926	6.6
414.21597	0.7
431.21915	1.2
593.27295	100.0
594.27667	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	593.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46392	0.3
55.01755	0.4
57.03319	0.6
59.01250	50.0
60.01591	0.6
61.98705	1.2
69.03326	0.6
69.72410	1.0
69.72821	0.6
71.01252	9.8
72.99184	1.1
73.02821	5.9
75.00753	0.7
83.01273	0.9
85.02827	3.1
87.00748	2.4
89.02317	25.7
90.02666	0.7
93.03365	1.5
96.95903	0.4
97.02834	0.5
97.27302	0.3
99.00754	0.9
101.02323	4.5
103.03886	1.7
109.99979	0.6
111.00754	1.6
113.02335	2.5
113.59399	0.3
114.02640	0.3
119.03407	0.5
125.02329	0.4
131.03398	7.9
132.03757	0.3
133.02794	0.5
135.04391	0.5
149.04460	100.0
150.04817	3.1
159.04474	0.4
161.04445	1.0
165.01825	0.5
167.61217	0.3
172.05287	0.3
173.00830	0.3
173.04506	2.2
179.03329	0.5
183.04443	0.8
187.03894	0.4
191.01877	0.6
191.05560	3.3
211.03882	0.6
217.65977	0.3
227.03479	5.0
228.03957	0.8
240.04161	0.4
255.00290	0.7
255.02968	13.7
256.03601	2.2
271.06073	0.3
283.02481	14.6
284.03210	8.8
285.03635	0.8
298.04834	8.4
299.05588	27.8
300.05966	2.7
315.82004	0.3
348.36218	0.3
371.14838	0.5
375.23932	4.9
376.24164	0.4
417.25061	3.6
419.22876	0.5
445.24295	0.6
451.43982	0.3
549.23798	0.5
593.14984	19.2
593.27887	4.9
594.15143	3.6
594.28522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.3
56.97688	0.3
57.03327	0.2
58.00447	0.3
59.01249	40.1
60.01584	0.3
61.98696	0.4
62.81254	0.3
69.03316	0.3
69.78594	1.2
71.01252	8.4
71.01624	0.5
72.99189	0.4
73.02817	6.8
83.01254	0.7
85.02828	2.3
87.00749	2.7
89.02316	26.2
90.02647	0.5
95.01259	0.3
99.00731	0.7
101.02323	3.9
103.00243	0.6
103.03889	2.0
113.02325	2.3
119.03405	0.5
125.38011	0.3
131.03404	7.7
135.04404	0.6
137.02409	0.4
145.02681	0.3
147.21873	0.3
149.04459	100.0
150.04810	2.6
157.34692	0.3
159.02869	0.4
161.02332	0.6
161.04437	1.3
165.03911	0.3
173.04439	0.6
179.03362	0.5
187.07547	0.5
191.05556	1.3
201.39781	0.3
209.08046	0.4
227.03519	0.5
248.72388	0.3
255.02904	1.2
283.02441	1.2
284.03076	0.8
298.04816	0.5
299.05603	1.7
375.19376	0.3
375.23859	4.9
376.24075	0.4
410.15390	0.3
417.25070	1.3
418.25119	0.3
419.22772	0.4
593.14667	1.0
593.28259	3.2
594.15137	0.4
594.28284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
59.72833	0.5
61.06380	0.6
62.96280	0.5
69.26649	4.4
75.00757	0.6
78.95774	64.4
83.04900	0.5
89.19619	0.5
90.41326	0.7
96.96839	12.2
114.29255	0.5
150.97946	1.4
152.99489	100.0
153.99808	1.9
171.00542	3.6
223.00064	11.1
241.01147	29.9
259.02277	1.9
259.20566	0.7
260.16748	0.7
263.08923	0.6
277.21710	48.7
278.22009	3.8
315.04871	15.6
316.05264	0.9
333.05591	0.7
357.23398	0.5
593.27307	82.8
594.27637	14.7
624.32385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.7
71.26609	1.2
78.95773	66.2
80.50915	0.6
86.19731	0.6
88.65003	0.7
96.96833	11.0
150.97920	0.9
152.99487	100.0
153.99843	1.5
164.77576	0.7
171.00548	3.4
223.00084	10.3
241.01146	27.1
259.02283	1.9
277.21710	50.3
278.22110	3.8
315.04852	17.3
333.05756	1.3
381.53668	0.8
593.27307	85.6
594.27631	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	593.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01247	2.0
61.98710	1.8
63.96095	0.9
69.03320	0.6
70.04144	0.4
71.01255	6.5
73.02824	1.3
75.00719	0.4
75.78085	0.3
78.95789	0.6
78.98464	4.5
79.26136	0.3
79.95609	35.5
80.96389	59.7
81.03329	0.5
81.96336	0.7
83.01245	0.5
85.02824	2.3
87.00749	2.1
94.41423	0.5
94.97962	14.0
96.95880	1.4
97.02821	1.0
98.19804	1.0
98.63552	0.4
99.00776	0.5
99.04363	0.5
101.02319	2.8
106.97945	2.7
113.02279	0.7
122.97476	5.2
125.02330	3.2
134.97487	4.1
136.99019	1.6
146.97496	0.6
148.99054	5.1
152.98528	6.9
161.04446	0.6
164.98541	8.9
179.00119	0.8
182.99615	2.4
191.05618	0.8
206.99635	3.7
209.58128	0.5
224.00131	0.4
225.00700	20.0
226.01073	0.6
229.64209	0.5
233.18861	0.4
241.00179	1.3
243.01735	2.1
293.21378	0.7
299.04422	3.8
315.03818	0.9
317.05658	0.5
371.06561	1.2
385.07944	0.9
399.09671	1.8
413.11160	1.0
427.12711	0.6
441.14566	0.8
455.15939	2.3
481.17447	0.7
495.19153	1.3
523.18640	0.9
524.19049	0.9
593.26349	100.0
594.26636	18.9
594.36151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
56.23235	0.2
57.03279	0.2
59.01237	1.1
61.98692	0.8
63.96107	1.1
69.03329	0.6
69.26862	2.5
71.01254	6.0
73.02815	1.6
78.98463	4.5
79.95605	33.5
80.96387	53.8
81.03316	0.6
81.96350	0.3
85.02821	2.3
87.00755	2.1
94.97960	11.7
95.01263	0.3
96.95898	0.7
97.02824	1.6
98.20679	0.5
99.00804	0.3
101.02317	2.3
106.97972	2.7
111.94604	0.3
113.02297	0.5
122.97466	5.2
125.02317	2.8
127.03909	0.6
134.97461	4.0
136.99019	2.0
148.99040	5.2
152.98546	6.0
153.36783	0.3
161.04475	0.6
164.98537	10.3
167.00142	0.4
179.00061	0.8
182.99602	2.2
188.98640	0.3
191.05482	0.5
195.13716	0.3
197.01073	0.3
206.99615	3.5
223.13498	0.3
225.00682	18.6
226.00981	0.7
241.00189	0.8
243.01738	2.4
288.74481	0.3
293.21158	0.5
296.46799	0.3
299.04370	4.0
315.03857	0.9
317.05429	0.3
371.06470	1.3
385.07959	0.9
399.09573	1.8
413.11069	1.4
427.13058	0.4
441.14413	0.8
455.15921	2.6
495.19086	1.7
504.16522	0.3
523.18518	0.8
524.19067	0.9
593.26331	100.0
594.26666	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	593.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30746	2.8
51.76026	2.7
52.18679	3.3
57.03330	3.0
59.01250	100.0
60.70187	3.4
61.98700	19.0
64.08037	3.1
71.01253	99.8
71.50864	6.4
72.99174	10.0
73.02821	45.4
75.00751	6.4
78.95775	4.4
83.01264	17.0
85.02811	14.8
87.00765	11.3
89.02329	23.3
93.03339	13.0
98.95207	3.1
99.00732	4.4
101.02323	38.0
103.45331	3.2
111.04420	5.0
113.02307	14.6
119.03391	8.4
119.04919	2.8
131.03362	5.2
133.02876	6.9
135.04410	11.2
137.02377	5.5
143.03397	5.0
149.04457	12.8
161.02354	12.0
161.04489	7.5
163.03920	4.0
172.10626	2.9
173.04446	12.4
173.05824	3.3
178.02638	3.9
179.03394	4.3
191.05550	31.8
195.06619	3.3
209.06766	3.2
209.11882	3.1
227.03490	15.5
227.07103	3.8
227.10754	3.9
229.08585	7.6
230.09372	4.4
255.02975	23.9
255.13860	12.9
256.03537	4.6
270.12552	8.5
271.02594	3.5
284.03326	37.3
285.03946	12.6
287.22177	3.4
299.01886	9.4
299.16470	15.1
300.16757	3.5
309.14758	3.5
327.15860	7.9
329.17493	5.0
400.07031	3.8
449.27576	11.7
477.21494	14.2
479.22824	8.5
521.23669	33.8
522.24432	3.7
531.22528	6.8
533.33038	10.2
549.23407	38.5
550.23761	4.6
593.15106	27.5
593.30981	5.8
594.14948	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	593.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88541	0.6
55.01760	1.2
57.03331	1.1
57.11174	0.7
59.01250	100.0
60.01581	1.0
61.04675	0.6
61.98720	0.9
65.20367	0.6
67.01767	1.0
69.03345	0.6
69.47434	5.4
70.13803	0.6
71.01247	6.3
72.99193	2.5
73.02820	4.1
75.00741	1.0
83.01277	1.6
85.02812	3.4
87.00730	1.8
89.02321	7.0
93.03332	3.7
101.02321	3.6
101.46851	0.7
110.00008	1.2
111.00768	4.8
111.04479	0.7
113.02320	1.3
119.03349	0.7
121.02842	9.9
129.03525	0.6
131.03403	3.2
135.04407	3.2
137.02274	1.1
149.04453	22.5
159.04382	1.4
161.02351	2.0
161.04439	2.0
173.04504	2.6
173.05986	0.8
179.03397	2.0
187.07645	0.8
191.01923	1.2
191.05502	7.3
200.04878	1.0
211.03925	1.0
214.96480	0.7
227.03479	10.6
228.03949	1.7
243.06546	0.7
255.02983	24.0
256.03571	3.6
271.06036	1.1
283.02472	27.2
284.03238	18.1
285.03726	2.4
298.04834	16.2
299.05597	45.9
300.05954	4.1
326.70184	0.7
327.15961	0.7
356.12613	18.1
357.12964	1.9
371.14969	26.6
371.19672	1.3
372.15280	3.0
375.23987	1.0
417.21265	0.7
497.67453	0.8
540.13141	0.7
593.15015	26.9
593.29211	1.1
594.15875	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02054	0.3
59.01236	0.3
59.54385	0.3
63.02264	0.6
65.00191	0.7
67.36869	0.2
70.65387	0.6
83.01247	0.6
86.04913	0.3
93.03352	0.4
95.01254	0.3
107.01268	2.1
132.02071	1.7
134.99834	0.3
135.00743	1.5
139.74637	0.3
143.04877	0.4
151.00288	3.3
159.04443	0.3
163.00291	1.3
164.01062	0.7
167.04965	0.4
171.04472	0.3
178.99779	2.0
183.04427	1.6
185.02425	0.6
185.05916	0.5
187.03894	0.9
195.04292	0.3
199.03896	0.7
200.04686	0.4
210.03117	0.3
211.03889	2.4
227.03448	52.8
228.03790	3.9
229.04953	1.9
230.05513	0.4
239.03485	1.3
255.02968	95.0
256.03433	10.5
257.04501	1.7
283.02441	1.8
284.03253	100.0
285.03842	18.4
286.04263	0.7
309.03772	0.3
323.55444	0.3
327.05038	0.6
369.06421	0.3
418.53821	0.3
429.08167	2.3
447.09506	0.7
489.30280	0.3
521.60144	0.3
593.15094	85.4
594.15442	13.7
594.25208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31381	0.3
57.03334	0.7
59.01253	3.4
61.98711	0.8
62.91828	0.4
65.00214	0.5
66.62252	0.3
67.01778	0.4
71.01244	1.8
72.99178	0.9
73.02808	0.6
83.01258	0.5
85.02840	1.8
87.00756	1.6
89.02316	1.1
90.41377	0.4
93.03339	0.9
97.02786	0.4
98.19827	0.8
101.02340	1.1
108.02105	0.4
109.02853	0.7
111.00766	9.2
111.04385	0.5
113.02330	0.6
121.02850	1.6
129.01784	0.6
133.02835	0.8
135.00838	0.5
135.04442	1.0
137.02412	0.4
145.02895	0.5
149.04442	1.1
151.00298	1.2
159.04449	0.4
161.02309	0.8
161.04469	0.8
165.01819	3.9
171.04387	0.5
172.70239	0.4
173.00829	0.7
173.04533	1.1
175.03949	0.7
179.03366	0.6
183.04422	0.5
187.03943	1.4
191.01897	3.5
191.05522	2.5
193.01366	2.1
199.04008	2.5
201.01889	0.6
203.03387	0.5
214.24005	0.4
215.03429	1.2
226.02588	0.5
227.03459	3.5
242.02173	0.7
243.02940	3.6
243.06593	0.5
248.06747	0.4
254.02124	0.5
255.02882	2.1
269.04572	1.6
270.01657	1.0
270.04709	0.4
271.02469	57.0
272.02826	4.8
282.01907	0.7
283.02353	0.7
284.03168	1.1
285.04050	3.2
286.04578	0.7
298.01758	0.5
298.04895	0.9
299.01962	97.4
300.02368	8.6
313.03519	1.2
314.04312	100.0
315.04816	13.9
447.76938	0.4
477.20673	0.4
503.11838	0.9
509.54218	0.5
593.15088	83.9
594.15442	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	593.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	69.4
61.98708	12.8
69.03328	3.0
69.48841	17.0
71.01251	100.0
71.86135	2.2
72.01597	2.4
72.99171	6.8
73.02823	30.4
78.38338	2.1
81.81475	2.1
83.01244	9.0
83.67259	2.1
85.02808	10.7
87.00748	7.9
89.02309	16.5
93.03327	7.3
98.20525	4.0
101.02322	30.3
113.02313	8.0
118.97865	2.5
119.03394	8.5
123.04361	2.9
127.03883	2.8
130.82132	2.7
133.02826	4.0
135.04424	6.0
137.02348	4.5
149.04434	9.8
161.02356	5.8
161.04399	3.7
164.04659	5.2
173.04449	11.7
173.05908	4.1
175.03862	3.1
179.03427	5.9
179.07072	5.1
187.03850	3.2
187.07564	3.5
191.05554	28.7
199.07716	3.9
213.05530	2.8
226.09897	4.8
227.03426	5.6
227.10362	3.9
228.11388	3.0
229.08495	2.9
231.10141	3.0
255.02917	6.6
255.13831	10.1
270.12585	3.1
284.03314	6.1
299.01877	7.0
299.05579	6.5
299.16302	11.9
309.15073	6.1
327.15955	5.6
380.80392	2.7
431.27625	5.5
435.20163	4.3
461.28641	6.8
475.28574	3.5
477.21317	12.4
479.22687	10.1
507.22498	10.7
521.24030	17.7
531.22278	9.5
533.33313	3.8
549.23468	36.2
549.31909	4.2
550.23578	5.1
566.53931	2.7
593.14465	5.6
593.31458	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54054	0.5
57.01037	0.6
57.21503	0.5
61.41553	0.6
63.02245	0.7
63.61661	0.6
65.00191	0.7
70.27691	2.3
75.03632	0.6
80.89412	0.6
83.01264	1.0
93.03336	2.4
107.01247	3.4
109.02847	0.8
112.71609	0.6
117.03365	0.7
127.27723	0.6
132.02075	0.7
133.02892	0.8
135.00755	2.7
143.04927	1.8
145.02827	0.6
145.06465	0.6
151.00270	2.9
157.06418	1.0
159.04402	1.7
163.00294	3.0
164.00998	0.6
169.06454	1.1
171.04411	0.9
183.04443	1.5
185.05974	4.6
187.03874	3.6
189.05511	0.8
191.05592	1.2
195.04420	0.7
197.06026	1.3
199.03978	1.2
211.03967	3.2
212.04755	0.7
213.05496	2.6
227.03445	44.2
228.03798	2.7
229.05017	13.7
230.05298	1.2
239.03456	1.1
241.04990	1.5
255.02971	74.5
256.03488	8.2
257.04520	6.9
267.02838	1.4
283.02438	1.2
284.03259	65.0
285.04010	91.5
286.04425	6.3
327.04987	1.0
359.22104	0.6
593.15088	100.0
594.15332	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47828	0.1
59.01253	1.2
61.98702	100.0
62.98421	0.2
63.99127	0.2
65.86077	0.2
69.18841	1.1
69.19266	0.6
70.27470	0.2
71.01255	0.4
75.92928	0.1
78.95769	0.2
79.95596	0.3
80.96387	1.8
85.02763	0.2
87.00742	0.2
93.03326	0.3
94.97981	0.5
122.97485	0.2
125.02345	0.2
125.43864	0.2
126.96470	0.2
133.65936	0.1
135.04388	0.2
152.99588	0.2
161.02310	0.3
171.10175	0.2
173.04485	0.2
191.05563	0.5
201.05513	0.2
209.11771	1.5
225.00737	0.5
227.03372	0.2
245.75285	0.2
300.02826	0.1
493.26013	0.2
556.72180	0.2
592.24927	1.3
593.16266	0.3
593.26080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43471	0.2
55.09045	0.2
55.85838	0.2
59.01242	0.8
65.00221	0.3
70.47507	0.8
71.31638	0.3
74.97089	0.2
76.66635	0.3
85.02838	0.3
89.02297	0.4
93.03329	0.9
97.02794	0.2
109.99970	1.7
117.03397	0.5
133.99973	0.5
136.98708	0.3
149.04456	0.7
151.00272	0.4
161.99529	0.6
165.01875	1.1
173.04617	0.2
177.32925	0.2
182.03578	0.3
183.04407	1.6
187.03864	0.3
190.99864	0.3
191.05536	0.3
200.04674	0.6
209.77742	0.2
211.03928	2.4
212.04672	0.6
219.74442	0.2
224.04608	0.2
226.02589	0.3
227.03444	19.1
228.04070	2.8
239.03586	0.3
240.04144	0.4
241.05026	0.3
243.06702	1.1
249.04248	0.2
255.02969	45.2
256.03568	7.6
271.06128	1.4
281.04428	0.3
283.02469	51.0
284.03207	30.1
285.03577	2.7
298.04819	27.5
299.05585	100.0
300.02481	0.4
300.05920	8.1
341.06500	0.7
482.85941	0.2
593.15088	65.7
594.15442	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	591.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24302	2.0
59.01249	10.2
61.98690	3.1
65.53265	2.0
67.53785	2.0
68.99696	2.5
69.03323	10.6
70.74390	2.0
71.01257	5.5
71.16749	3.7
80.96418	2.9
81.03293	1.8
111.57430	1.9
116.82853	2.1
123.08025	2.3
125.09612	4.9
128.23164	2.2
133.02863	3.2
135.04396	2.7
139.80727	1.9
151.11201	7.2
153.12752	3.1
159.38925	1.8
161.02394	4.3
161.09622	12.3
171.10210	2.5
179.10707	32.7
195.13823	7.2
197.11769	95.1
198.12134	6.8
200.98984	2.0
207.10329	2.1
207.56154	1.8
209.11798	3.7
211.13322	2.8
217.66544	2.3
223.09654	3.9
223.13380	7.3
225.11198	4.1
241.10817	14.0
258.22156	2.2
293.21243	32.6
294.21646	3.1
297.13477	11.3
315.14493	21.6
316.14764	2.8
343.13205	2.0
537.30780	2.0
557.80060	2.2
591.35443	100.0
592.27924	2.6
592.35828	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
61.98700	100.0
62.98409	0.2
63.25927	0.1
65.57962	0.1
69.19016	1.6
71.01269	0.2
79.95618	0.3
80.96379	1.3
83.16491	0.2
87.00735	0.2
94.97979	0.2
135.60606	0.1
203.16907	0.1
225.00737	0.3
291.40207	0.1
306.97733	0.1
405.79526	0.1
446.83524	0.1
592.25018	1.6
593.25842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.4
57.03313	4.2
59.01252	100.0
60.01599	2.4
61.98698	19.0
69.73114	7.4
71.01262	16.7
73.02817	6.6
78.95786	4.1
80.96409	2.2
83.01254	6.2
83.02383	1.5
83.04902	2.3
85.02841	8.9
85.25819	1.4
87.00748	2.8
89.02306	4.2
91.14396	1.5
93.03323	2.1
96.95918	1.6
97.02814	2.2
97.06448	6.6
98.20450	3.3
99.00760	3.5
101.02336	12.7
106.09127	1.4
111.00713	2.0
111.08024	1.6
113.02362	10.2
119.03382	1.9
119.04932	1.7
125.02365	4.5
133.02821	5.1
135.04398	3.6
149.04471	5.8
152.99474	4.0
161.02382	7.7
161.04465	5.6
171.87946	1.5
173.04451	4.0
173.05859	1.5
179.03415	1.9
191.05479	8.6
209.08095	1.6
209.11743	2.8
211.13387	4.2
230.09415	2.0
244.94403	2.0
276.54321	1.5
459.27649	7.5
460.27567	2.0
469.31696	2.2
487.32800	35.6
488.33047	7.2
505.33710	17.2
506.34271	2.8
554.51447	1.9
591.24231	2.8
591.32800	1.9
592.33618	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	591.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03326	0.3
58.00451	0.5
59.01251	31.7
61.98709	0.8
62.02742	0.3
64.51958	0.3
69.03329	0.7
70.83746	0.5
70.84073	0.5
71.01254	13.7
72.01597	0.3
72.99184	0.8
73.02818	13.5
74.03156	0.4
80.77356	0.3
83.01266	3.1
85.02830	1.6
85.88346	0.3
87.00759	2.5
89.02318	29.2
90.02650	0.4
92.61476	0.3
93.03329	0.6
94.25275	0.3
95.01250	0.5
96.95870	0.4
99.41592	0.3
101.02326	10.9
103.00237	0.8
103.03885	2.2
113.02337	4.0
119.03400	1.5
121.02840	1.0
122.03572	0.4
123.00745	0.4
125.02326	0.8
131.03398	8.4
135.04405	0.5
136.01558	7.8
137.02336	1.0
143.03395	1.0
149.04462	100.0
150.04773	2.6
151.00304	2.9
151.03914	10.3
151.97981	0.3
152.04263	0.4
155.03465	0.3
161.02325	0.8
161.04489	2.9
166.02625	8.5
167.03369	0.5
173.04480	0.8
175.03940	0.6
177.01866	0.4
179.05515	0.6
181.04987	10.1
182.05296	0.4
189.36195	0.3
191.05582	1.4
193.04985	0.3
203.05472	0.4
221.06628	0.9
269.13571	0.3
285.04083	0.3
301.03561	0.5
310.17355	0.3
311.09265	0.3
339.08838	1.0
357.09799	2.1
358.10254	0.3
369.13367	1.0
372.12167	1.2
373.22397	1.3
387.14471	21.5
388.14877	3.2
415.23413	0.8
459.22574	0.5
472.32986	0.3
591.26794	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.5
57.03329	0.5
59.01250	38.4
61.98690	1.2
62.42854	0.4
71.01255	8.9
71.26456	0.4
71.50730	0.7
73.02820	7.2
83.01261	0.9
85.02821	2.2
87.00770	2.6
89.02320	26.6
99.00761	0.7
101.02316	4.6
103.00257	0.6
103.03897	1.9
113.02317	1.4
119.03373	0.7
131.03398	6.1
133.02818	0.5
135.04391	0.6
149.04457	100.0
150.04791	2.9
161.02356	0.9
161.04485	1.7
167.76410	0.5
173.04480	1.1
179.03378	0.6
181.05112	0.6
191.05566	2.4
217.03491	0.7
271.02383	0.5
301.03690	0.6
373.22336	9.3
374.22571	1.0
415.23657	4.2
547.27222	0.8
591.27051	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	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08811	0.4
55.01747	0.5
57.03338	0.6
59.01251	44.5
60.01570	0.7
61.98703	3.7
66.54247	0.5
71.01259	11.2
71.50628	0.8
72.99169	0.8
73.02820	8.0
75.00766	0.6
78.95788	0.6
83.01262	1.2
85.02834	4.2
87.00746	3.4
89.02316	30.7
93.03332	0.9
95.01325	0.6
96.95891	0.6
99.00760	0.9
101.02321	5.7
103.03891	2.5
105.01813	1.4
113.02336	3.2
119.03349	0.6
125.02480	0.6
131.03406	9.1
133.02832	0.6
135.04430	1.4
149.04463	100.0
150.04810	2.4
151.00287	0.7
161.02380	2.0
161.04486	0.9
163.03760	0.6
173.04437	1.6
178.99783	0.5
179.03455	1.0
190.83624	0.5
191.05511	3.3
317.12671	0.5
373.22229	4.8
415.23474	2.1
443.23120	0.8
573.19720	0.8
591.26740	3.3
592.27332	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	591.2483
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03322	0.7
57.35462	0.4
59.01246	3.1
61.98706	1.7
63.96113	1.4
67.69823	0.5
69.03315	0.8
69.21143	4.5
71.01257	7.3
73.02817	2.1
78.98462	5.5
79.95612	11.7
80.96395	62.1
81.03323	0.8
85.02838	3.2
87.00758	2.3
94.97969	14.5
95.01259	0.5
96.95895	1.2
97.02795	1.1
99.00759	0.9
99.04395	0.6
101.02328	3.4
102.68941	0.4
106.97953	3.3
113.02355	0.6
114.79475	0.4
122.97471	5.6
125.02386	2.5
127.03891	0.7
131.67996	0.4
134.97475	4.7
136.99023	1.2
148.99078	5.6
152.98546	7.5
164.98560	11.3
165.12782	0.9
167.00070	0.5
182.99660	2.4
191.05571	0.6
206.99657	3.4
225.00699	18.8
226.01082	1.1
243.01703	2.0
247.20628	0.8
269.03137	0.6
273.18460	0.4
291.19614	2.6
299.04388	2.4
352.19110	0.4
387.18082	0.6
397.47159	0.5
397.91656	0.5
591.24817	100.0
592.25073	16.5
609.77490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01254	7.0
61.98710	5.2
63.96115	0.8
69.03331	0.5
70.99184	0.9
71.01260	7.9
73.02824	2.2
74.98954	0.5
78.95782	0.7
78.98467	5.7
79.62472	0.5
79.95609	10.6
80.96394	62.0
81.03345	1.0
83.01260	0.6
85.02821	3.3
87.00771	2.6
89.02339	1.0
93.03342	1.0
94.97966	14.6
96.95894	1.3
97.02827	1.1
99.00757	1.0
99.04436	0.7
101.02311	3.8
106.97964	2.8
113.02348	1.5
118.64713	0.4
122.97460	4.9
125.02360	3.2
127.03925	1.1
133.02831	0.4
133.94809	0.5
134.97478	4.2
136.99026	1.3
137.02364	0.5
146.97591	0.5
148.99052	5.7
149.04465	2.3
152.98547	6.2
161.02380	1.5
164.98547	10.4
165.12726	1.0
165.98984	0.5
167.00119	0.7
169.12842	0.5
171.10167	0.5
173.04509	1.2
179.03407	0.4
182.99644	2.1
191.05566	1.9
192.00589	0.7
201.05533	0.5
206.99628	3.7
225.00710	19.3
226.01024	0.7
229.08586	0.8
235.06018	0.7
243.01799	2.0
250.04727	0.4
265.07095	2.1
280.09570	2.4
291.19537	2.0
299.04477	3.1
357.13306	0.9
387.18176	1.1
417.19101	0.8
459.27487	1.3
591.24823	100.0
592.25189	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.98077	0.5
62.67411	0.7
71.41518	0.6
73.60483	0.5
76.37920	0.6
77.86861	0.5
106.06499	0.8
125.09685	0.5
125.56774	0.6
216.84592	0.6
246.10162	0.6
303.43784	0.6
305.08093	0.7
443.22379	2.1
444.19003	1.0
445.19943	1.7
456.23282	1.0
459.21780	1.4
462.20639	0.8
471.21118	1.9
471.26126	2.0
472.22928	1.1
473.23398	1.1
481.20230	0.8
482.21176	1.6
484.18933	1.5
485.19437	1.4
487.25186	4.2
497.23630	4.3
499.21274	3.9
500.22058	12.7
501.22580	2.1
504.21420	1.1
514.23920	1.0
515.24518	100.0
516.24805	21.3
518.23413	0.8
559.23413	4.6
560.24036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2478
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
50.39538	0.3
57.03318	0.4
59.01250	4.2
61.98699	100.0
62.38261	0.3
63.96107	1.1
67.01752	0.4
68.56306	0.4
69.03313	0.8
71.01247	7.6
71.50076	0.4
72.99185	0.4
73.02811	1.6
78.95786	1.3
78.98451	5.7
79.95605	10.6
80.96386	66.4
81.03326	0.8
83.01267	0.7
83.04894	0.4
85.02827	3.2
87.00742	2.9
89.02307	0.4
93.03328	0.9
94.97959	14.2
95.01266	0.5
96.95889	1.1
97.02828	1.7
99.04396	0.4
101.02317	2.9
106.97968	3.3
113.02351	0.6
122.97471	5.0
125.02322	2.8
127.03864	0.9
133.02858	0.6
134.97481	3.6
135.04454	0.5
136.99065	1.4
146.97430	0.4
148.99052	5.9
152.98523	7.4
152.99506	0.4
161.02359	1.0
161.05981	0.5
164.98544	10.9
167.00212	0.4
171.10153	0.6
173.04440	0.9
182.99631	3.1
191.05569	0.8
195.13898	0.5
202.61224	0.3
206.99577	3.2
207.99576	0.4
209.11705	0.5
225.00694	16.9
226.00989	0.7
243.01758	1.6
288.80801	0.4
291.19693	1.5
292.19727	0.4
295.21826	0.4
299.04449	2.5
345.11786	0.4
591.24768	92.3
592.25055	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	591.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74171	0.7
59.01249	37.0
61.98682	1.5
69.03342	0.7
71.01249	14.2
71.43787	1.1
73.02820	12.0
75.00762	0.9
83.01254	2.9
85.02827	3.0
87.00739	2.9
89.02312	27.1
89.75769	0.7
93.03364	1.3
95.01269	0.8
96.95885	0.9
97.19297	0.7
99.00745	0.8
99.14763	0.7
101.02328	11.8
103.00243	0.8
103.03899	1.1
107.04867	0.8
113.02322	4.7
119.03391	2.0
119.04946	1.3
121.02869	1.9
125.02326	1.9
131.03378	9.0
135.04388	1.1
136.01559	23.4
137.02409	4.2
143.03412	1.2
149.04457	100.0
150.04800	2.5
151.00279	6.1
151.03911	35.0
152.04329	2.1
159.04504	0.7
160.01563	0.7
161.02351	2.4
161.04465	3.7
162.03043	0.8
163.03918	1.3
166.02611	17.6
166.04019	1.0
167.03217	1.4
173.04486	1.8
175.03839	0.9
177.01865	1.2
177.05609	0.7
179.03372	1.7
179.05403	0.7
181.04979	23.6
183.54335	0.8
187.07570	0.7
191.03659	0.6
191.05511	3.9
221.06404	0.7
261.79556	0.8
268.07370	0.8
283.09677	1.2
296.06952	1.2
309.07541	1.1
323.09158	2.1
324.09796	1.0
338.11475	0.9
339.08716	7.3
340.09119	1.0
341.13736	0.9
354.11060	2.5
357.09732	7.0
369.13373	8.1
370.13550	1.4
372.12253	3.7
387.14496	62.1
388.14780	6.4
567.17749	0.7
579.15906	0.8
591.26471	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	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81543	0.2
59.01249	2.2
61.36191	0.2
69.44578	1.7
71.01252	5.0
72.99174	0.3
73.02813	3.4
85.02811	0.5
87.00760	1.6
89.02316	24.0
90.02661	0.4
93.03339	3.9
98.20605	0.2
101.02333	0.5
103.03880	1.7
106.04146	0.6
108.02063	0.4
113.02314	0.3
118.56640	0.2
119.04914	28.7
120.05247	1.2
131.03397	6.5
131.04955	0.8
132.05727	0.8
133.02847	0.5
133.06462	0.3
135.04422	0.5
143.04929	2.5
145.06491	1.2
149.04457	100.0
150.04814	2.7
159.04433	0.2
160.76505	0.2
163.03915	24.9
164.04274	1.2
171.04390	0.3
191.05544	0.8
211.07602	1.5
221.09644	0.3
223.07603	0.3
232.73804	0.2
235.07590	0.4
236.08340	0.3
237.09215	1.9
239.10768	1.6
248.82579	0.2
253.08723	0.3
255.03029	0.3
265.08719	2.7
283.09735	4.6
295.08435	0.3
302.24283	0.3
309.07617	1.1
327.08716	35.6
328.09058	3.1
459.13043	1.9
591.17365	2.6
592.17181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36512	0.2
59.01244	0.9
61.98698	0.5
70.06776	0.8
71.01243	0.3
72.99179	1.8
75.00745	100.0
75.09186	0.2
76.01086	1.1
78.95777	0.8
139.73035	0.2
151.03911	0.3
152.99510	0.4
157.08583	0.3
229.16272	0.2
277.21735	0.6
371.05710	0.2
441.72760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03317	4.9
59.01251	100.0
61.98703	22.9
69.36312	12.2
69.36729	5.0
71.01253	20.5
73.02818	7.7
74.16481	1.9
78.91755	2.2
78.95770	5.2
80.91545	6.8
83.01258	5.3
83.04910	3.5
84.55403	2.1
85.02814	11.6
87.00755	3.8
89.02335	6.0
93.03335	3.1
101.02311	10.4
107.04929	2.4
109.06425	2.2
113.02314	6.5
123.08092	9.2
133.02821	6.6
135.04384	3.2
149.04436	6.8
152.99446	4.8
161.02335	9.3
161.04449	3.9
163.11203	2.2
167.07021	4.4
171.10254	2.9
175.03902	2.4
177.01868	6.1
178.02342	2.2
179.03281	2.9
187.07616	2.3
191.05489	9.6
197.06049	2.2
202.06250	3.7
203.07092	1.9
209.11798	8.0
229.08386	2.2
231.10162	2.8
249.35962	2.1
255.02832	3.2
283.02432	3.4
289.18314	2.1
299.05582	8.9
304.45917	2.6
327.25366	5.1
343.12961	2.4
413.25699	3.5
432.13904	5.4
457.26028	13.0
458.26083	2.7
467.30078	3.7
485.31158	25.4
486.31567	5.2
500.00516	2.1
503.32211	16.5
504.32513	2.9
563.21423	2.4
589.30249	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.0
59.01253	30.3
60.97187	2.1
61.98706	46.6
64.21014	1.7
71.01244	6.1
78.95744	2.5
83.04903	2.4
85.34830	2.0
87.00742	2.8
89.02303	2.7
98.19753	3.4
101.02322	4.9
113.09594	12.0
139.11122	2.1
146.78433	1.8
171.10161	5.9
199.09698	2.4
253.09308	17.4
275.20340	2.2
278.20313	1.8
293.21219	100.0
294.21582	8.3
318.78214	2.2
401.17749	1.8
488.46527	2.2
527.27673	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	590.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12741	0.4
54.45542	0.5
55.01757	1.1
57.03321	1.6
58.00467	4.9
59.01252	100.0
60.01565	1.3
60.99173	0.7
61.98694	1.8
62.66463	0.5
69.17762	1.0
69.18094	5.8
70.02013	0.4
70.02840	1.4
70.35545	0.5
71.01254	67.9
71.56123	0.7
72.01592	1.1
72.99181	7.7
73.02831	1.8
78.95768	0.8
81.03345	0.9
83.01257	3.4
83.04889	2.4
85.02824	12.4
85.03303	1.0
85.06474	2.2
87.00745	4.0
88.03925	2.1
89.02318	77.2
90.02647	1.2
94.36161	0.5
95.01263	4.4
95.04893	0.7
96.04383	0.7
96.75626	0.5
97.06507	0.5
98.02380	0.7
99.00758	0.7
101.02322	43.8
101.59911	0.5
102.02663	0.5
108.08079	4.5
113.02333	27.3
113.05981	0.5
115.07561	1.1
119.03390	40.1
120.03800	0.8
124.07565	0.7
125.02317	0.6
126.09132	6.3
127.07563	0.5
131.03400	3.8
138.09114	1.7
143.03389	6.1
149.04486	3.0
150.36392	0.6
152.99554	0.7
154.08627	1.2
156.10214	1.9
161.04468	6.2
166.08643	1.9
171.10153	0.9
177.17229	0.5
179.05539	13.8
184.09764	1.8
197.11893	0.7
223.20763	0.8
225.11349	0.6
225.22202	14.1
226.22554	1.1
253.21767	2.9
270.24374	1.9
271.22760	6.6
272.23151	1.1
294.24307	0.9
296.25980	4.9
309.20590	0.6
312.25522	1.6
315.70459	0.7
324.25668	1.3
362.30759	1.0
380.31750	2.3
382.33118	0.8
392.31705	3.8
410.32745	43.8
411.33069	5.6
428.33804	17.5
429.34155	2.6
590.39087	56.3
591.39563	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	588.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71391	1.4
52.06081	1.3
52.51027	1.2
55.10900	1.2
56.41794	1.2
57.03325	2.2
58.00464	3.5
59.01250	100.0
60.01589	1.6
61.98693	3.2
65.03841	7.6
69.03324	3.9
70.78841	1.6
70.79179	2.5
71.01254	64.3
72.99180	8.0
73.02817	3.0
73.22957	1.3
75.00362	1.7
75.00749	13.8
78.54961	1.3
78.95741	2.4
81.03326	6.3
83.01261	3.1
83.04878	4.3
85.02835	11.0
87.00740	3.7
89.02321	75.7
90.02636	2.1
93.03334	13.9
95.01258	4.6
95.04887	3.4
101.02326	43.9
106.02000	1.2
111.04395	1.7
113.02326	24.8
119.02590	2.7
119.03391	41.1
131.03378	3.6
136.07587	4.0
137.05974	4.8
143.03404	6.6
149.04440	2.3
152.99538	1.6
161.04480	5.4
179.05525	12.5
182.08232	2.2
214.70839	1.6
225.22211	15.0
253.21741	3.9
270.24387	12.0
271.22733	7.4
272.23215	1.6
296.25900	4.3
312.25391	1.7
326.26859	1.5
390.30206	9.2
391.30380	1.7
408.31195	28.0
409.31583	3.5
426.32251	12.0
427.32428	2.3
588.37518	35.7
589.37720	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	589.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	27.9
61.98702	7.0
70.06488	1.6
70.31887	1.4
71.00888	1.4
71.01252	6.4
71.50039	2.9
73.02828	2.4
75.22965	1.4
85.02842	2.8
87.00761	5.7
88.00239	1.8
89.02305	3.8
93.03351	2.5
95.01280	1.9
96.95914	1.8
101.02345	5.2
108.66299	1.4
113.02341	3.4
119.03367	1.8
124.18687	1.4
133.02800	3.4
134.03600	3.0
135.04388	2.9
137.02345	2.3
156.99004	1.5
161.02359	7.1
161.04590	1.5
164.04701	97.4
165.05045	7.2
173.04454	3.2
179.07054	100.0
180.07407	5.1
182.02165	1.8
185.05998	2.1
191.05548	5.5
193.04982	2.3
197.04506	5.0
203.07068	1.7
259.21194	1.3
263.52200	1.8
341.12335	11.3
365.68750	1.7
383.13416	14.7
384.13971	2.4
589.18182	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	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03314	0.7
59.01250	43.8
60.01586	0.6
61.98701	4.8
69.03330	0.4
71.01254	11.0
71.08347	0.5
71.08662	0.5
73.02824	6.6
83.01261	0.7
85.02827	3.5
87.00744	2.0
88.37669	0.3
89.02315	27.9
90.51920	0.3
93.03320	0.6
95.01236	0.6
97.02846	0.4
99.00740	0.8
101.02318	4.6
103.00276	0.9
103.03894	2.2
111.00748	0.3
113.02333	2.3
117.03349	0.6
119.03388	0.9
119.04855	0.4
123.04445	0.7
125.02367	0.4
131.03395	8.6
133.02785	1.7
135.04436	0.9
140.02188	0.3
143.03490	0.3
145.02863	2.0
149.04459	100.0
150.04842	2.8
159.03004	0.4
161.02313	2.8
161.04419	2.0
173.04442	0.9
175.03871	0.3
177.01822	2.5
179.03424	0.8
187.07555	0.4
191.05588	1.9
202.06436	0.4
211.13414	0.5
217.03442	0.6
260.00211	0.3
367.30179	0.3
371.20770	4.5
413.21634	1.8
457.20685	0.5
557.20306	0.4
571.17755	0.4
589.26117	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	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88295	1.2
57.03320	3.5
59.01255	80.5
61.28594	1.3
61.98707	12.7
69.03351	1.9
71.01261	52.1
72.99178	3.8
73.02826	13.1
75.00732	1.8
78.95780	4.3
81.03347	1.3
83.01256	2.6
85.02818	7.7
87.00751	4.3
89.02327	49.8
90.97588	1.0
93.03307	1.6
95.01250	2.1
97.02850	3.1
97.06449	1.6
99.00763	22.8
101.01645	1.3
101.02327	25.8
110.77787	1.0
113.02347	10.1
115.03953	1.2
119.03377	9.7
119.04794	1.1
121.02865	3.1
121.06448	1.2
121.55788	1.0
121.56655	1.1
123.04393	1.5
123.08102	1.8
125.02361	3.5
131.03389	5.5
132.02069	1.6
133.02858	4.6
134.03630	18.0
135.04391	4.0
136.01549	1.4
137.02280	1.1
143.03432	2.1
147.04449	2.5
148.05208	1.9
149.02354	1.7
149.04547	6.3
149.05972	4.3
150.03137	1.2
151.03917	2.9
151.84978	1.2
152.99530	2.0
158.03664	1.9
159.85268	1.3
160.01584	10.1
161.02382	6.0
161.04510	3.1
162.02998	1.2
171.10156	10.0
173.04503	1.9
173.05917	2.0
175.03932	12.6
176.04747	6.1
177.01869	1.9
178.02646	1.9
178.99734	1.2
179.03427	2.2
179.05547	2.2
179.10680	1.1
187.03931	1.4
187.07629	2.6
191.05499	7.6
191.07076	12.2
193.05009	14.5
197.04495	1.8
197.11774	6.5
201.11208	2.3
207.06551	5.8
207.10201	3.9
209.11797	5.6
211.13315	1.5
217.04935	1.5
220.03651	2.2
223.13324	2.6
225.11351	2.5
229.08704	2.4
229.14394	1.5
230.09474	1.4
231.10051	1.9
235.06091	32.7
236.06465	3.1
265.07187	4.9
275.20081	8.4
277.21729	2.2
293.21210	25.5
294.21460	2.3
295.08224	15.1
337.09088	1.4
339.25232	2.3
355.10364	10.1
361.10495	1.5
407.22397	1.7
411.16577	2.4
438.68045	1.1
455.26532	58.9
456.26880	8.0
489.14063	4.8
490.15115	1.3
587.30682	100.0
588.30798	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.68333	0.6
57.03313	1.7
58.00475	0.7
59.01251	27.0
61.98700	3.7
62.97684	0.8
70.30994	0.7
70.31326	2.5
71.01254	9.9
71.04877	0.6
73.02801	1.7
78.76298	0.7
78.95792	1.7
80.96450	0.7
83.01245	1.6
83.04919	0.9
85.02826	2.4
87.00739	2.2
89.02328	6.4
93.03320	1.8
97.06460	1.1
99.00799	1.1
101.02310	7.8
107.04910	0.8
107.40629	0.6
109.02821	1.0
109.06411	0.7
111.00701	0.7
113.02335	3.0
115.84386	0.6
119.03379	3.1
123.04475	0.9
133.02875	1.7
134.03647	5.5
135.04376	2.6
135.08040	0.8
137.02440	1.0
147.04408	1.1
148.05206	1.0
148.08821	1.4
149.04448	1.4
149.05963	1.2
149.53062	0.7
151.07565	1.3
152.99457	1.2
159.04349	0.8
160.01614	2.4
161.02348	2.7
161.04433	1.7
163.11195	1.1
165.12764	11.9
166.13187	1.1
171.10201	5.9
173.04404	0.8
173.05869	0.7
175.03958	4.1
175.07529	0.8
176.04698	2.5
177.01706	0.8
179.03403	2.1
179.14273	0.8
187.07603	1.4
191.05518	3.0
191.07080	1.7
193.05003	3.5
197.11792	6.6
201.05507	0.9
201.09399	1.2
201.11263	4.1
202.06236	1.2
207.06604	1.6
208.92332	0.7
209.11717	1.8
211.13278	1.0
211.46071	0.6
212.02560	0.7
212.89500	0.8
215.07027	0.7
227.12779	0.8
229.08548	1.4
230.09390	2.7
230.54167	0.8
231.09999	1.3
235.06100	7.7
235.08282	0.7
236.06342	1.1
237.75299	0.7
247.20615	6.1
253.09262	15.0
262.63998	0.7
265.07126	1.4
273.18677	4.0
274.19037	0.8
291.19659	100.0
292.20026	10.7
295.08066	3.8
308.35242	0.7
339.25351	1.9
355.10321	1.9
411.16348	1.6
455.26047	1.3
489.14078	2.0
587.20752	1.1
587.28906	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	586.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56417	1.4
59.01249	57.1
60.01584	6.5
61.01673	6.8
61.98701	100.0
65.80912	1.4
69.78782	2.7
69.79174	5.0
71.01263	3.6
78.95770	2.3
86.97673	1.6
89.02306	3.4
91.18678	1.4
98.19775	1.5
110.23038	1.7
159.05440	1.3
168.94301	1.4
225.71213	1.6
226.23663	1.5
254.13051	1.6
255.23250	5.9
270.73166	1.7
276.88773	1.5
325.14423	2.3
360.34424	2.0
418.14346	1.9
457.18619	2.5
543.22406	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49203	0.2
57.03320	0.4
57.71902	0.2
59.01253	100.0
59.77807	0.2
60.01590	1.1
61.98715	1.6
69.03333	0.4
69.14655	0.9
69.15076	1.9
71.00861	0.3
71.01256	6.7
73.02820	8.1
74.63271	0.3
77.41195	0.2
83.01271	2.2
85.02837	1.0
87.00740	0.4
89.02312	2.1
93.03343	0.4
95.01281	0.3
97.02850	0.3
98.20581	0.6
101.02328	9.0
113.02345	3.1
119.03412	1.0
125.02370	0.7
129.17801	0.2
131.03381	1.3
133.02861	0.4
143.03444	1.0
149.04524	1.4
150.03142	0.4
153.29366	0.2
155.03423	0.6
161.02419	0.7
161.04515	2.7
173.04596	0.3
191.05605	0.8
203.05510	0.3
221.06607	0.5
296.37747	0.3
298.97366	0.3
358.16470	0.3
391.10345	0.3
601.63837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.07839	0.7
60.01591	1.4
63.28473	0.7
71.16931	1.1
71.17273	0.8
75.88460	0.7
121.75101	0.6
231.56818	0.9
315.49030	0.7
493.54074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98712	0.8
66.30172	0.6
68.02431	0.7
69.11313	0.7
69.32333	1.7
69.32755	4.4
76.72359	0.6
78.95804	0.8
88.98683	3.9
89.02325	1.0
98.19775	1.1
143.83150	0.6
152.99481	0.8
168.14857	0.6
220.71216	0.6
387.06735	0.7
406.47922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03324	19.1
59.01249	28.9
59.91996	0.4
61.98689	2.1
65.89962	0.4
69.03323	0.5
71.01257	2.8
72.99174	0.7
75.00729	0.3
79.05422	0.3
81.03345	0.8
83.01255	1.2
83.04912	1.0
85.02835	1.5
88.80441	0.4
89.02323	2.0
93.03355	0.9
95.01276	0.4
95.04912	1.7
97.02824	4.3
97.06475	1.0
99.04397	11.8
101.02324	5.2
107.04901	1.6
107.48982	0.4
109.02846	2.8
109.06466	3.0
111.00803	0.5
111.04388	2.6
113.02331	2.3
117.92224	0.4
119.03398	0.8
119.08572	0.8
121.06491	2.2
122.03621	5.1
123.04444	2.1
123.08038	1.0
124.05182	7.5
125.02351	3.2
125.05993	4.0
133.04979	0.6
133.06485	3.3
135.04431	1.6
135.08086	0.7
136.05194	0.5
137.05981	7.2
137.09613	0.5
139.07544	63.6
140.07883	2.5
145.06546	0.5
145.10095	0.4
146.05957	0.7
147.08083	1.6
149.04619	0.4
149.05981	2.1
151.03925	1.5
151.07542	1.1
153.05464	1.1
161.04451	8.8
161.05685	0.7
161.09615	0.4
162.04802	0.5
162.06717	0.5
163.07552	1.0
163.11241	0.9
168.07829	13.2
169.08641	7.5
170.08839	0.6
171.08118	0.8
175.11192	0.6
177.12772	1.1
181.08607	2.1
187.11197	10.4
188.11572	0.9
189.05452	2.1
189.09169	1.2
190.09874	1.6
191.05559	0.8
193.05049	0.6
199.11250	0.6
205.12277	20.0
206.12584	1.7
210.08791	0.5
211.09682	2.3
213.09094	0.8
216.07889	0.4
217.12297	2.1
221.11739	0.8
227.08182	0.5
229.12344	1.3
230.12570	0.4
231.10220	2.8
235.13347	3.9
236.13780	0.4
241.09894	0.6
249.11311	4.7
255.10187	0.4
259.13220	0.4
261.11423	2.1
273.11215	2.5
279.12357	100.0
280.12720	9.7
285.11285	0.8
291.12329	0.6
303.12369	5.0
304.12497	0.5
306.07562	0.7
321.13443	8.8
322.13831	1.3
361.16663	2.3
363.14243	0.7
387.16382	0.4
420.54807	0.5
423.16571	19.9
424.17123	2.6
441.17618	5.4
442.18106	0.6
454.19940	3.2
465.18024	0.8
585.21948	9.2
586.22754	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28745	0.9
55.28927	1.1
57.03057	1.8
57.03326	28.0
59.01252	59.4
60.01565	1.3
61.98701	13.2
69.03337	2.0
71.01255	15.0
71.50442	2.3
72.01646	1.0
72.99190	1.4
73.02814	2.3
81.03325	2.0
83.01250	4.0
83.04904	2.4
85.02822	4.8
87.00742	2.5
89.02320	8.5
93.03316	3.5
94.04134	1.1
95.01279	1.3
95.04893	3.0
97.02834	4.5
99.00785	1.2
99.04395	20.7
101.02326	11.7
107.04903	1.9
109.02831	5.3
109.06459	3.2
111.00780	2.3
111.04405	3.7
113.02333	6.0
116.92783	1.2
119.03391	1.6
121.02840	0.9
121.06491	3.1
122.03613	7.1
123.04356	2.7
124.05211	14.9
125.02339	9.7
125.05967	4.8
131.03410	1.3
133.06482	6.7
134.03616	3.2
135.04399	3.7
137.02333	1.3
137.05966	9.8
139.07549	87.2
140.07892	4.0
145.10130	1.2
147.04436	1.2
147.08063	2.0
149.04478	3.1
149.05975	4.1
150.03093	1.9
151.03886	4.3
153.05501	1.1
155.03397	3.3
161.02371	2.0
161.04471	13.4
162.03217	1.0
163.03914	1.5
165.05469	2.7
168.07852	15.3
169.08633	9.1
171.08093	1.9
173.04495	2.7
177.12669	1.2
179.03490	1.3
179.05467	1.2
181.08595	3.1
187.11243	10.4
189.05435	1.8
189.09105	1.2
190.09958	1.3
191.05521	7.7
193.04964	5.3
205.12288	23.4
210.08936	1.2
211.09619	4.2
217.12268	2.3
221.11775	1.3
229.12253	1.1
231.10104	1.7
235.13445	4.0
249.11322	4.3
261.11386	2.2
273.11279	4.0
279.12375	100.0
280.12769	7.8
285.04053	1.3
303.05069	1.8
303.12286	7.0
321.13446	8.5
322.13779	1.3
323.09708	1.1
339.08575	2.0
361.16751	1.5
369.13303	8.6
391.64108	1.3
423.16577	34.2
424.17075	4.5
441.17715	1.2
499.88605	1.4
538.82587	1.1
585.21838	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	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.9
61.41949	0.2
61.98702	100.0
71.01257	1.6
72.22873	0.2
72.99195	0.3
73.02816	0.5
75.00753	0.3
79.86768	0.2
81.44415	0.2
85.02830	1.1
87.00761	0.3
89.02327	0.8
93.03358	0.8
94.73212	0.2
98.20563	0.8
99.00762	0.3
101.02350	1.0
109.02865	0.3
111.04440	0.4
113.02336	0.7
115.91897	0.2
119.03391	0.7
121.02821	0.5
122.03631	0.3
123.04425	0.4
125.02351	0.8
127.05039	0.6
130.08653	1.3
131.03468	0.3
133.02858	0.6
135.04410	1.4
136.01535	0.4
137.02374	0.5
149.02362	1.0
149.04478	0.7
149.29323	0.3
150.03159	2.1
151.03772	0.9
159.04475	0.6
161.02361	1.2
165.01830	1.8
165.05467	2.3
166.05896	0.7
170.10895	0.2
171.80493	0.2
173.04501	1.1
173.05891	0.3
175.04004	0.3
177.05443	0.3
179.03430	1.9
179.05641	0.3
180.04152	1.4
187.07574	0.3
191.05537	3.4
192.05794	0.4
194.05746	0.5
195.06583	2.5
196.06996	0.4
199.18044	0.4
208.10892	0.3
209.08195	0.6
210.05301	0.3
210.08545	0.3
222.12538	0.3
225.07626	1.2
230.09285	0.2
240.13654	0.3
254.09619	0.2
258.14600	0.5
266.05774	0.2
329.14096	0.4
353.08569	0.3
387.14633	0.4
388.14902	0.7
452.18390	0.9
507.20773	0.3
524.35443	1.0
536.20435	0.9
537.20709	0.4
546.83850	0.2
584.22668	0.2
584.36823	2.0
585.25067	0.4
585.37830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.2
60.01611	0.2
61.98707	100.0
70.63835	0.3
70.64170	0.3
71.01269	1.0
72.99189	0.1
73.02827	0.3
75.00737	0.4
81.03298	0.1
85.02834	0.4
87.00751	0.4
89.02307	0.7
93.03354	0.5
94.03703	0.2
101.02330	0.7
111.00819	0.2
113.02367	0.4
116.92774	0.3
118.97903	0.1
119.03398	0.2
133.01376	0.2
133.02878	0.3
134.03642	0.3
135.04439	0.5
137.02402	0.3
147.04420	0.2
149.04443	0.6
150.03174	0.3
155.03397	0.2
161.02341	0.8
165.05460	0.3
173.04510	0.5
175.03963	0.4
175.07585	0.2
175.09113	0.1
179.03442	0.5
187.03908	0.2
191.05550	2.2
191.07137	0.2
192.05930	0.3
203.07155	0.2
223.76915	0.1
229.08626	0.2
230.09460	0.3
231.10393	0.2
245.81975	0.1
261.11404	0.3
285.12564	0.5
392.17612	0.2
449.13824	0.2
452.18372	0.5
566.22430	0.2
584.19727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.2
60.01611	0.2
61.98707	100.0
70.63835	0.3
70.64170	0.3
71.01269	1.0
72.99189	0.1
73.02827	0.3
75.00737	0.4
81.03298	0.1
85.02834	0.4
87.00751	0.4
89.02307	0.7
93.03354	0.5
94.03703	0.2
101.02330	0.7
111.00819	0.2
113.02367	0.4
116.92774	0.3
118.97903	0.1
119.03398	0.2
133.01376	0.2
133.02878	0.3
134.03642	0.3
135.04439	0.5
137.02402	0.3
147.04420	0.2
149.04443	0.6
150.03174	0.3
155.03397	0.2
161.02341	0.8
165.05460	0.3
173.04510	0.5
175.03963	0.4
175.07585	0.2
175.09113	0.1
179.03442	0.5
187.03908	0.2
191.05550	2.2
191.07137	0.2
192.05930	0.3
203.07155	0.2
223.76915	0.1
229.08626	0.2
230.09460	0.3
231.10393	0.2
245.81975	0.1
261.11404	0.3
285.12564	0.5
392.17612	0.2
449.13824	0.2
452.18372	0.5
566.22430	0.2
584.19727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01574	1.1
61.98694	0.3
64.24297	0.3
68.60651	0.2
69.31746	1.9
98.20602	0.4
98.58533	0.2
119.33468	0.2
172.04283	0.2
262.84402	0.3
455.46777	0.2
583.27271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77831	0.2
58.64535	0.1
59.01249	100.0
60.01579	1.0
69.36224	0.5
69.36647	0.8
73.38368	0.2
78.95801	0.5
90.88030	0.2
96.96840	0.2
98.19746	0.3
145.02943	0.2
152.99492	0.3
346.05698	0.3
542.50378	0.2
583.28986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60683	0.8
57.03321	1.6
59.01252	11.4
61.98707	31.5
64.95160	0.8
67.01752	0.9
69.03344	0.9
70.20033	3.7
71.01266	4.9
72.99152	1.0
73.02825	1.7
73.32011	0.8
75.00750	2.7
83.01276	1.5
83.04874	1.9
85.02814	2.9
87.00790	2.3
87.09395	0.9
89.02322	2.1
92.19761	0.8
93.03338	7.5
95.01288	1.4
99.00770	1.9
101.02338	2.5
109.02869	1.5
111.00764	1.4
111.04379	1.9
111.08057	4.6
113.02348	3.2
118.97996	1.3
119.03358	1.0
119.04868	1.7
121.02863	5.7
122.03646	14.1
123.00738	1.0
133.02827	2.4
134.03624	1.5
135.04405	3.1
136.01541	2.5
137.02322	3.9
145.02812	1.3
147.04428	1.1
149.02364	30.8
149.04353	1.3
150.03140	96.5
151.03709	5.1
155.03400	3.9
155.23254	0.8
157.03029	1.1
158.43945	0.9
159.04448	0.9
161.02354	3.3
163.03905	2.4
164.04701	6.2
165.01878	8.9
165.05493	100.0
166.05836	4.0
173.04486	2.8
173.08112	7.6
175.03986	2.8
176.04803	1.2
177.01920	1.3
177.05525	3.6
179.03452	4.8
179.07179	1.1
180.04201	10.4
183.34497	0.8
189.05568	1.5
190.06265	1.2
191.05551	8.5
192.05995	1.4
195.06580	59.2
196.06937	3.9
203.07161	1.1
210.05257	1.5
216.07553	0.9
224.56851	0.8
225.05548	1.1
225.07600	2.9
231.10115	1.1
240.07971	1.0
241.98003	1.2
267.06915	0.9
268.07413	1.5
277.05481	1.9
279.06339	1.1
287.22336	2.2
288.22736	1.7
295.09677	1.4
297.11365	1.3
305.12494	1.7
307.09470	1.6
308.07248	1.2
308.10471	2.1
309.07581	2.7
323.09177	3.1
324.10013	1.4
325.10687	2.7
326.11514	4.2
327.08679	7.0
337.10757	1.4
338.11868	1.5
339.08716	7.2
339.12454	2.4
340.09140	1.5
342.11075	4.3
343.11874	2.8
354.11063	3.2
357.13455	23.0
358.13724	1.9
369.13443	20.7
370.13663	2.9
437.16470	2.2
449.27393	2.6
450.27930	8.4
451.28311	7.8
452.28360	1.0
457.13193	1.2
481.11526	0.9
487.17252	1.3
489.15762	1.0
505.18973	6.0
517.18231	1.2
535.19751	45.0
536.20160	8.1
553.20270	1.2
565.22101	1.8
582.31964	1.6
583.20520	3.2
583.31909	2.3
607.27997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29370	0.5
57.86706	0.5
59.01264	1.6
61.98708	0.9
66.18845	0.5
71.01256	1.1
75.00749	1.7
85.02818	0.8
86.29634	0.5
93.03326	5.9
95.01275	0.6
95.04897	0.8
99.96795	0.5
105.03351	0.7
107.89607	0.5
108.02030	0.5
109.02866	1.1
120.12572	0.5
121.02837	12.1
121.03682	0.9
122.03635	17.6
123.00777	1.5
123.04464	1.5
124.01579	1.5
132.02037	0.9
133.02853	2.1
134.03679	1.2
135.04408	9.1
136.01564	13.8
137.02383	3.2
139.03889	0.7
146.03645	0.6
147.04419	1.6
148.01523	0.5
149.02344	29.9
149.05963	1.4
150.03128	96.6
151.00215	3.6
151.03922	14.1
152.01021	1.9
152.04489	0.6
154.02669	0.9
160.05173	0.8
161.02348	1.7
161.05994	1.0
162.03113	1.1
163.03896	3.0
164.04704	6.3
165.05479	100.0
166.02634	10.4
166.05803	3.1
167.03429	3.3
172.05206	1.6
173.04489	0.6
175.03940	4.2
177.01866	0.5
177.05475	0.6
179.03400	0.6
180.04199	6.2
181.04980	12.2
184.21420	0.4
189.05510	3.6
190.06297	5.5
191.03413	0.7
191.05539	2.0
193.08340	0.5
195.06551	52.8
196.06903	2.8
205.04915	0.7
205.08627	1.6
211.72362	0.5
221.08063	0.8
230.09180	0.6
265.05002	0.6
266.05783	0.6
282.05304	0.7
297.07797	1.2
314.07941	0.6
315.08813	1.0
325.07013	1.0
325.10483	0.7
329.10312	3.6
341.10236	1.0
342.11035	1.3
356.12689	2.3
357.09595	2.5
357.13373	11.7
358.09793	0.7
358.13754	1.2
358.27408	0.5
369.13416	1.0
372.12003	1.6
373.12924	2.1
386.13846	1.0
387.14505	29.2
388.14771	3.6
480.19690	0.5
490.16217	0.8
500.31647	0.5
505.18741	6.0
517.18329	1.8
520.16675	0.9
535.19702	46.9
536.20026	7.8
543.48749	0.6
553.20850	0.6
583.21149	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
61.98705	1.1
70.37486	0.5
70.37885	0.5
71.01257	0.7
72.65655	0.2
73.02839	0.3
75.00745	2.7
93.03340	4.0
95.01278	0.4
97.24410	0.2
105.03291	0.3
108.02061	0.6
109.02866	0.8
113.02327	0.3
121.02854	5.0
122.03629	14.4
123.00842	0.4
123.04411	0.6
124.01555	0.5
133.02875	2.1
134.03645	0.5
135.04413	1.1
136.01563	7.1
137.02347	1.8
139.03883	0.3
146.03590	0.3
147.04364	0.5
149.02345	16.9
150.03128	91.2
151.00261	1.8
151.03914	8.0
152.04329	0.3
159.04391	0.3
161.02348	0.9
161.06003	0.5
162.03215	0.6
164.04715	4.0
165.05481	100.0
166.02628	4.5
166.05807	4.9
166.07092	0.4
167.03409	0.5
171.06230	0.3
172.05180	0.3
173.04501	0.4
174.03142	0.3
175.03937	0.9
175.07684	0.3
177.01828	0.6
177.05556	0.3
179.03427	0.7
180.04205	7.0
181.04985	6.0
187.04008	0.4
187.07605	0.3
189.05484	0.8
190.06255	0.8
191.03601	0.3
191.05469	1.3
195.06554	65.7
196.06917	3.9
205.04973	0.4
206.05824	0.3
221.08084	0.8
229.08798	0.4
309.07559	0.5
310.48016	0.3
324.10086	0.3
329.10208	0.6
337.11353	0.3
337.15231	0.3
342.11047	0.9
357.09610	1.0
357.13458	7.3
358.13843	0.6
359.01636	0.3
369.13260	0.5
372.12018	1.3
373.12878	0.8
387.14499	11.9
388.15024	1.2
505.18741	0.6
535.19775	1.8
536.19653	0.6
553.19958	0.3
583.20892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00840	0.5
55.01777	1.0
57.03341	1.1
58.00487	0.9
59.01257	11.7
61.98729	1.6
67.01805	0.9
69.03373	1.0
69.69587	2.9
71.01256	11.2
72.99226	1.9
73.02822	4.6
75.00765	0.9
78.95807	0.7
79.72972	0.4
83.01273	2.6
83.04924	0.8
85.02828	5.7
86.00032	0.5
87.00764	4.4
87.01229	0.5
89.02309	2.6
93.03336	5.7
95.01292	1.0
97.02887	0.6
97.06498	0.5
99.00813	1.4
101.02334	5.2
111.00808	1.7
111.04408	1.0
113.02351	2.9
116.83253	0.4
124.01660	0.5
125.02395	1.2
140.19952	0.4
149.04605	0.5
150.32832	0.4
153.05537	0.5
155.03500	0.5
172.05249	0.6
173.04494	8.0
173.05843	0.6
175.03929	0.8
175.07562	1.0
177.05537	0.4
187.07567	0.8
191.05553	11.5
191.07133	0.9
192.05960	0.4
201.05522	1.1
201.09294	0.8
203.07166	1.6
204.07788	0.7
214.06328	0.8
215.07111	0.7
229.08694	1.7
230.09477	1.3
232.07419	1.3
233.08197	0.6
246.86784	0.4
247.09908	1.1
248.10667	0.9
269.21280	1.3
285.20844	0.5
287.22305	27.3
288.22623	2.8
301.23792	0.5
371.15280	0.6
389.16028	1.6
407.17172	1.3
431.26721	4.2
449.27588	100.0
450.27930	13.7
511.96500	0.5
524.07440	0.8
555.39178	0.5
563.21423	4.9
564.22131	0.9
581.23096	1.8
581.31787	26.4
582.32147	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	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16708	0.1
56.58699	0.1
59.01256	0.9
61.98703	100.0
62.98407	0.2
68.39802	0.1
71.01261	0.2
71.49539	0.2
78.95786	0.5
80.96389	0.3
82.95988	0.6
152.99512	0.3
163.25969	0.1
177.12775	1.0
177.84315	0.1
179.71280	0.1
181.05031	0.5
196.07448	0.3
196.48712	0.1
211.09764	0.5
216.29216	0.2
255.42314	0.1
275.94775	0.2
279.23312	2.3
279.26144	0.2
280.23627	1.4
281.23871	1.0
282.24158	0.9
321.97983	0.2
354.62122	0.1
383.87027	0.1
504.30930	0.7
505.31451	0.4
507.31851	0.8
577.27948	0.2
581.26941	1.7
582.27557	0.2
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
55.13691	0.4
59.01239	1.1
59.26879	0.4
61.98704	100.0
62.96812	0.3
66.34838	0.4
69.31437	1.0
69.31840	2.8
78.95794	1.4
84.30197	0.4
85.46004	0.4
97.01759	0.6
121.02877	0.5
129.11588	0.4
191.05528	0.5
258.32373	0.4
275.82040	0.4
279.23184	2.2
280.23642	1.5
281.24002	0.6
282.24319	0.5
382.88785	0.5
504.31323	0.7
507.31979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45084	0.2
56.87030	0.2
57.03337	0.2
58.00450	0.2
59.01249	3.2
60.01566	0.2
61.98702	100.0
63.27869	0.2
67.01771	0.3
69.03304	0.3
71.01246	1.7
71.50909	0.3
72.99184	0.3
73.02825	0.9
73.11728	0.2
74.98955	0.4
75.00757	0.4
77.56548	0.2
78.95799	0.3
83.01261	0.4
83.04874	0.4
85.02819	1.5
87.00752	1.2
88.23837	0.2
89.02324	0.9
93.03326	2.2
96.95901	0.3
97.02873	0.3
99.00743	0.3
101.02332	0.9
109.02857	0.6
111.00790	0.3
111.04436	0.7
111.08024	1.3
113.02338	0.6
119.03403	0.2
119.04920	0.4
127.00204	0.2
133.02864	0.5
134.03667	0.3
135.04425	0.9
137.02370	0.5
149.04453	0.5
155.03442	0.7
157.03044	0.3
158.71988	0.2
161.02333	1.2
161.04468	0.3
161.05890	0.2
162.02780	0.2
163.03967	0.3
163.11163	0.2
165.05347	0.2
173.04485	2.2
173.05896	0.4
173.08096	2.1
174.03186	0.2
174.04836	0.6
174.06436	0.2
175.07494	0.2
177.01799	0.5
178.02551	0.3
179.03453	0.8
187.07558	0.3
191.05540	5.3
192.04367	0.2
192.05843	0.9
202.06261	0.3
203.06998	0.3
204.07635	0.4
214.06436	0.3
215.06825	0.4
229.08740	0.5
230.09209	0.5
231.09756	0.2
253.89326	0.2
275.09418	0.3
305.12488	0.4
361.07620	0.2
390.16458	0.4
408.17917	0.4
437.16714	0.8
451.27075	0.4
466.42828	0.2
522.33850	0.7
523.34821	2.0
531.37866	0.3
564.21826	1.2
582.23798	1.0
582.31342	0.3
583.19104	1.0
583.31537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03334	1.0
58.00475	0.5
59.01251	11.9
60.99189	0.3
61.98701	2.4
67.01780	1.0
69.03340	1.0
71.01254	12.2
72.99177	1.5
73.02818	3.9
73.03195	0.3
75.00779	1.1
78.95792	1.0
81.03329	0.3
82.55726	0.2
83.01253	1.9
83.04916	0.4
85.02822	5.7
87.00748	4.5
89.02328	3.4
93.03331	6.6
95.01274	1.0
97.02882	0.5
97.06480	0.6
99.00787	0.9
99.04441	0.2
99.08037	0.5
101.02320	5.8
101.02911	0.4
102.02661	0.3
103.08452	0.2
105.84319	0.2
109.02853	0.5
111.00771	1.0
111.04408	1.3
112.01578	0.2
113.02339	3.5
114.32997	0.2
115.91988	0.4
119.03410	0.9
120.62386	0.2
123.00825	0.3
124.01558	0.4
125.02348	0.9
127.03951	0.5
129.01859	0.5
129.09116	0.5
131.03377	0.3
135.04463	0.7
137.02344	0.6
138.68181	0.3
141.12790	0.3
143.03448	0.3
146.03586	0.2
147.04427	0.7
149.04463	0.6
155.03432	0.9
155.14302	0.3
159.04385	0.3
161.02345	0.4
161.04536	0.3
161.05989	0.3
172.05214	0.3
173.04482	9.7
173.05972	0.8
174.03275	0.3
174.04880	0.5
174.06734	0.3
175.03961	0.5
175.07581	1.0
176.08298	0.4
176.17754	0.2
177.05409	0.3
177.09143	0.2
179.03410	0.4
186.06871	0.9
187.03973	0.2
187.07581	1.2
191.05527	13.9
192.05891	0.8
200.04651	0.3
201.05414	1.2
201.09189	0.9
202.06303	0.7
202.09926	0.4
203.07098	1.3
204.07898	0.9
205.08511	0.4
214.06339	1.0
215.07057	0.8
219.06555	0.4
229.08611	2.1
230.09341	1.8
232.07401	0.9
233.08101	0.5
239.20142	0.3
241.21777	0.4
247.09743	0.8
248.10567	0.7
249.11140	0.3
255.03056	0.3
269.21201	2.6
283.02359	0.3
285.20660	0.7
287.22272	30.6
288.22662	3.1
291.08847	0.3
301.14453	0.4
301.20340	0.4
301.23798	0.5
311.12888	0.4
327.15900	0.7
329.13776	0.3
329.23370	0.4
345.13477	0.4
345.17133	0.5
371.15103	0.8
389.15936	3.0
390.16342	0.5
394.12689	0.3
407.17090	2.1
431.26422	2.6
432.26993	0.3
449.27542	100.0
450.27878	13.7
521.33240	1.4
539.31158	0.2
563.21326	6.5
564.21460	1.2
581.22626	2.1
581.31708	27.0
582.22931	0.5
582.32001	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
63.96099	1.1
67.54874	0.5
69.03350	0.6
71.01253	8.8
72.99152	0.6
73.02827	2.2
78.98466	6.8
79.95604	11.6
79.96038	0.8
80.96389	82.2
81.03322	0.9
82.86755	0.5
85.02841	3.3
85.74680	0.5
87.00760	3.2
94.97961	18.6
95.01258	0.8
96.95890	1.0
97.02821	2.1
98.20556	1.6
99.00758	0.6
101.02327	2.9
106.97986	3.5
111.41288	0.5
116.21002	0.4
120.91986	0.4
122.97465	5.4
125.02328	4.1
127.03938	0.7
130.88332	0.6
134.97482	4.9
136.98988	1.4
148.97955	0.7
148.99054	7.5
151.31541	0.5
152.98537	8.2
164.98553	13.2
182.99672	3.0
188.98590	0.6
197.16019	0.5
199.69588	0.4
206.99666	3.5
225.00708	19.1
226.00998	1.0
243.01794	2.2
281.24911	3.3
299.04468	3.4
302.84723	0.5
406.84171	0.5
465.03491	0.5
550.84717	0.5
581.29993	100.0
582.30298	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	581.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03319	2.0
58.00465	0.6
59.01252	22.1
60.99187	0.8
61.98709	4.2
64.45300	0.5
67.01758	3.2
68.99695	1.4
69.03319	1.5
71.01251	14.9
72.99183	3.2
73.02818	6.0
75.00746	1.3
78.95775	2.3
81.03343	1.3
83.01263	3.6
83.04925	0.9
85.02825	8.7
87.00755	9.1
87.04413	0.6
89.02309	4.1
93.03338	16.6
94.03686	1.1
95.01254	1.4
97.06496	0.6
99.00758	1.1
99.04373	0.7
101.02326	10.8
109.02865	0.8
111.00779	2.1
111.04408	3.8
111.08018	0.5
113.02347	3.8
119.03415	0.6
119.04900	1.0
121.02793	0.7
125.02322	1.4
127.03919	2.4
129.01860	0.6
131.03450	0.9
134.03613	0.8
135.04420	1.6
136.01552	0.6
137.02321	1.7
139.00272	0.6
141.12720	0.9
143.10643	0.5
146.03647	1.9
146.64063	0.6
147.04433	2.2
149.04477	1.7
150.03113	0.8
151.03998	0.6
151.07561	2.9
153.05493	0.5
155.03407	2.7
158.07306	0.8
159.04379	0.7
161.02364	1.4
161.04466	0.7
163.03908	0.9
163.07578	0.6
171.02930	1.2
172.05194	0.8
173.04486	23.3
173.05946	1.9
174.03238	1.2
174.04768	1.0
174.06696	0.5
175.03905	2.6
175.07559	3.0
176.08223	0.6
177.01836	0.8
177.05530	1.0
177.09160	0.5
179.03366	1.3
186.06731	2.3
187.03906	1.1
187.07518	3.3
189.05460	1.0
191.05536	30.2
192.05907	1.5
195.06593	1.7
199.03990	0.7
200.04710	0.9
201.05513	2.5
201.09166	2.6
202.06238	0.9
203.03687	0.6
203.07086	3.4
204.07787	2.5
205.08475	1.0
214.06270	3.6
215.07104	3.1
218.09435	0.7
219.06631	1.5
220.07376	0.7
229.08710	4.6
230.09401	3.3
231.06677	0.6
231.10211	1.2
232.07368	3.1
233.08133	1.4
241.21829	0.6
247.09789	2.0
248.10522	1.5
249.11143	0.7
269.10254	0.9
269.21188	2.1
275.09430	1.0
287.22281	29.4
288.22598	2.3
291.08795	5.3
292.09467	0.9
301.14453	0.7
311.12842	1.1
315.12201	1.5
317.10281	1.7
327.16064	1.4
329.13980	0.8
329.23337	0.8
345.17059	1.5
359.11554	0.9
371.14673	2.4
389.16089	6.6
407.17014	3.4
408.17371	0.7
431.26587	5.2
432.26569	0.7
449.27554	100.0
450.27872	13.7
451.15738	0.7
451.50110	0.5
521.33582	3.4
522.33710	0.7
533.20966	0.8
545.20294	0.7
549.23895	1.1
563.21307	12.7
564.21753	2.1
581.22321	5.2
581.31769	19.0
582.22351	1.6
582.32025	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01936	1.2
57.03321	1.5
59.01247	35.4
61.98701	100.0
69.47847	9.9
71.01254	22.9
72.99202	1.5
75.00746	2.3
77.27511	1.1
85.02829	5.6
87.00754	4.1
89.02316	25.7
93.03357	3.5
93.19534	1.2
94.72784	1.2
101.02309	10.4
111.04445	1.7
113.02319	7.0
119.03387	9.1
119.30740	1.4
131.03436	2.0
135.04340	2.1
137.02353	1.7
143.03400	2.6
149.04462	2.7
161.02371	4.8
161.04428	2.9
173.04427	5.2
175.04141	1.3
176.04773	2.2
179.03436	6.5
179.05563	6.0
191.05530	16.3
191.07033	2.2
194.05743	4.2
209.08199	8.5
255.10326	1.3
269.11325	1.3
283.09811	7.0
283.12585	1.3
311.09283	15.7
312.09726	1.6
325.10828	1.9
326.11560	8.6
341.13959	13.2
342.14227	1.9
345.17267	1.4
377.28949	1.5
389.15814	1.4
465.26947	1.9
489.27106	1.6
507.27975	1.6
521.32983	5.0
563.21429	1.8
577.81641	1.3
581.22778	1.9
596.17603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.4
61.98672	1.0
71.01218	3.0
71.49733	1.4
73.02775	1.3
79.95567	1.6
80.04884	2.7
80.96390	9.9
80.98007	2.0
81.95137	3.7
82.95969	20.0
82.96766	2.7
84.96371	1.2
85.02783	1.2
86.73042	0.9
87.00680	1.0
94.97920	1.9
96.97492	4.1
106.06504	24.4
107.06801	0.9
108.04430	5.3
108.08006	3.0
129.34999	0.9
132.04416	2.2
132.08061	1.0
134.05994	8.7
134.09583	2.5
136.96938	1.3
150.05527	8.1
150.98535	1.2
152.07101	5.2
160.03954	41.3
160.05261	1.3
161.04323	2.9
162.05484	7.1
166.97952	1.8
174.05373	2.5
176.07063	5.4
178.04788	1.1
182.08272	0.9
193.03615	2.5
196.06282	1.2
210.05392	1.9
210.07703	1.3
211.08646	4.9
212.07022	1.5
213.07765	1.6
225.00490	1.3
225.10130	1.9
226.01013	0.9
226.11053	22.3
227.00201	1.7
227.11797	11.8
229.00490	0.9
239.08076	3.7
240.10440	5.3
241.09583	13.2
241.13223	43.3
242.13618	3.5
249.10010	1.1
251.11839	1.6
252.09048	7.1
253.09764	11.5
254.10188	3.4
267.11365	16.2
268.11630	1.2
269.12952	15.2
270.13187	1.4
277.09601	4.1
285.12302	1.4
295.10840	10.0
296.10931	1.0
300.97739	0.9
311.10394	15.1
313.11932	100.0
314.12213	8.5
339.09796	12.5
340.10056	1.0
343.48187	1.0
355.09439	5.8
355.91284	1.1
420.19272	15.8
421.19330	1.0
449.26413	1.2
493.43167	1.0
515.81262	1.1
537.24634	1.2
580.27344	11.8
581.23993	86.0
582.24274	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	581.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02423	1.7
55.13950	2.0
55.20017	1.6
57.03328	2.6
59.01251	66.2
61.98698	13.2
67.01762	5.5
69.03335	3.4
71.01254	30.8
72.99170	16.1
73.02818	35.6
75.00742	4.0
79.46783	1.6
80.62374	1.7
83.01263	9.4
85.02836	15.2
87.00764	9.1
89.02316	10.0
92.29172	1.6
93.03339	28.4
95.01289	3.3
97.06484	2.2
101.02319	33.5
106.68780	1.7
109.02858	2.5
111.00784	2.4
111.04421	6.0
113.02329	17.8
115.52043	1.7
116.60551	1.9
119.03400	7.5
121.02843	5.6
123.04402	5.9
125.02377	1.9
127.03902	2.3
133.02850	22.7
134.03636	34.7
135.02873	2.8
135.04437	31.5
136.04721	2.3
137.02341	33.1
139.03931	11.2
143.03407	3.8
146.03653	2.7
147.04425	10.7
149.02275	2.0
149.04463	8.0
150.03114	4.0
151.03946	12.3
155.03447	4.8
158.03622	5.6
159.04440	5.4
159.08145	2.6
160.05179	1.9
161.02348	10.3
161.04471	7.6
161.05888	3.3
162.03047	2.0
165.01891	3.0
165.05318	2.2
172.05203	6.7
173.04477	38.0
173.05997	11.5
173.09724	3.1
174.03142	4.6
174.04753	1.6
174.06746	5.2
175.00336	3.5
175.03833	4.0
175.07568	13.9
176.08218	5.0
177.01878	3.3
177.05562	3.3
177.09216	2.0
178.00972	3.0
178.02637	56.8
178.06201	2.4
179.03421	100.0
180.04051	10.0
185.06009	4.1
186.06755	4.8
187.03918	8.5
187.05914	2.4
187.07552	21.0
189.05547	2.4
191.05540	77.0
192.05998	2.9
193.05035	11.8
193.08487	2.0
194.05783	54.2
195.06560	17.0
199.03941	6.8
200.04710	17.7
201.05521	29.3
201.09163	14.8
202.06271	24.1
203.07056	16.8
204.07640	2.6
205.08681	4.5
209.08124	30.8
210.08469	1.9
211.03911	8.2
211.07603	2.0
214.06305	4.9
215.03461	2.4
215.07082	5.9
217.04866	1.9
218.05811	3.5
219.10378	2.4
227.03427	6.1
228.04230	12.0
228.07948	3.1
229.04991	4.0
229.08649	77.7
230.09425	79.6
231.09909	9.5
232.07411	5.5
233.08302	17.0
239.03481	7.6
240.04041	2.6
243.06555	4.4
245.04648	1.8
246.09033	3.4
247.09680	14.5
248.10138	2.0
249.05440	2.1
251.09233	6.2
256.03687	19.1
257.04483	9.3
262.12079	15.3
271.06116	86.9
272.06671	16.3
274.08405	2.3
285.07657	5.1
286.08456	92.0
287.09113	27.8
288.09659	2.6
292.09546	2.8
327.15958	5.0
343.11151	2.1
369.09805	13.5
371.11316	4.8
389.16101	6.1
407.17300	3.9
409.14886	2.5
423.12848	5.1
427.14084	3.6
449.27676	3.6
451.16055	18.3
452.16733	18.2
453.17282	3.9
479.17197	10.9
480.17075	2.4
497.18179	43.2
498.18536	8.9
563.21222	44.2
564.21283	8.1
581.20599	58.6
582.20648	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	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01251	6.1
62.96276	1.3
63.61488	0.9
63.63759	0.8
67.71916	1.0
69.70659	4.9
71.01231	1.3
78.95771	100.0
80.12504	1.0
80.51129	0.9
85.84700	0.9
96.95890	4.7
96.96819	5.2
98.95432	1.9
99.92458	11.7
100.93185	1.5
115.91958	36.8
116.91931	2.4
116.92742	28.4
117.92716	1.8
120.74084	0.9
120.96841	1.1
150.97902	4.7
152.99480	26.7
155.95122	1.4
163.89598	2.8
164.90404	2.0
171.00536	12.3
172.95378	9.1
176.90891	0.9
178.88303	4.3
179.89145	36.8
180.89934	29.9
181.90643	4.0
194.87849	2.8
194.89709	1.1
196.89409	56.4
197.89482	2.2
204.89830	1.4
205.90659	4.0
206.91463	3.7
208.89409	2.1
219.92242	1.3
221.90144	2.4
223.20683	1.1
234.91031	2.4
235.91750	9.7
236.92577	34.0
237.92979	0.9
245.04291	1.2
252.92088	4.7
253.92816	1.0
270.93079	2.1
276.95581	2.4
278.93610	5.5
281.24838	3.7
282.25092	1.6
292.95184	3.3
309.95416	1.4
310.96265	8.4
473.13968	7.7
490.14346	7.1
491.14737	1.7
506.32547	1.8
533.16199	4.2
534.16119	1.0
545.16589	4.9
545.24048	1.0
546.16803	1.2
563.17096	7.7
581.18182	69.4
582.18372	14.1
583.33575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01248	8.8
61.96603	1.0
61.98712	1.1
62.96289	1.1
64.09573	1.0
71.01255	4.5
71.49658	1.8
76.57288	1.0
78.95770	100.0
79.95608	1.5
80.96383	10.7
85.02789	1.8
87.00722	1.3
89.02313	3.6
94.97934	1.6
96.95898	2.5
96.96819	5.2
99.92455	8.6
101.02327	1.7
115.91959	28.4
116.91996	1.8
116.92744	26.0
117.92757	1.9
122.97464	1.3
125.02352	1.0
143.10672	8.8
148.99040	1.3
150.97911	3.6
152.98370	1.5
152.99501	20.2
163.89592	1.7
164.98543	1.5
171.00565	9.7
172.95364	4.4
174.09822	1.0
178.88348	4.2
179.89117	34.3
180.89948	24.4
181.90768	2.6
182.99471	1.0
194.87814	1.9
196.89409	48.4
197.89409	2.4
205.90683	2.6
206.91550	2.0
208.89442	1.5
209.11784	4.0
210.12082	3.3
219.92311	1.2
221.90216	1.6
225.00700	3.5
234.90759	1.5
235.91791	7.5
236.92581	20.3
237.92841	2.3
252.92113	2.2
253.92938	1.7
255.23221	3.1
256.23615	2.4
278.22089	1.3
278.93680	3.7
281.24942	1.2
292.95251	2.1
295.22733	1.7
296.23032	2.1
309.95526	1.7
310.96378	5.5
335.54459	1.0
339.41397	1.0
472.64398	1.3
473.13977	3.6
490.14059	4.6
533.15808	2.3
545.15778	5.4
563.17023	5.8
580.38550	1.6
581.18188	52.8
581.29791	13.2
582.18304	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	579.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28962	0.3
55.01755	2.0
57.03323	5.2
58.00463	1.1
59.01249	87.6
60.01600	0.8
61.98710	0.6
68.99686	0.4
69.03331	1.2
70.62494	0.6
70.62826	0.7
71.01251	31.3
71.04890	3.6
72.01581	0.6
72.99183	2.0
73.02817	8.8
75.00746	1.0
81.03320	3.4
83.01257	5.5
83.04886	0.7
84.02029	0.5
85.02821	18.2
85.06435	1.7
85.99988	0.4
86.03149	0.5
87.00742	3.8
87.04398	0.4
89.02315	9.7
93.03348	0.9
93.06974	5.0
95.01259	4.2
95.04937	0.3
96.95898	0.5
97.02834	1.9
97.06464	0.5
99.00761	3.3
99.04399	6.6
101.02320	20.3
101.05959	0.4
101.31802	0.3
102.02679	0.6
102.48373	0.3
109.06447	0.8
111.00786	1.3
111.08060	0.7
112.01556	0.8
113.02329	18.7
113.09595	0.8
114.02668	0.5
117.03498	0.4
119.03406	3.5
119.04857	0.3
123.08011	0.5
124.01552	0.5
125.02318	2.7
125.09595	0.4
127.07557	0.3
129.01828	0.6
129.09113	5.7
131.03404	0.5
134.03662	1.6
135.04353	0.5
137.02350	0.4
137.09647	0.4
139.11169	0.6
141.01997	0.3
141.09163	1.0
143.03401	2.5
143.10672	2.7
147.11685	1.1
149.04463	0.5
149.05923	0.4
153.09119	1.0
153.12770	1.6
155.10698	2.9
159.02925	2.3
161.02364	0.7
161.04468	4.2
167.10692	0.5
171.13821	0.5
173.04401	0.4
173.11760	0.4
179.03354	0.5
179.05562	1.0
179.14365	0.4
181.12276	0.7
187.07677	0.3
191.05533	2.9
193.05038	1.0
195.13794	1.3
197.15416	1.8
199.09708	2.2
207.13879	0.4
209.15517	0.5
213.14886	0.9
215.16475	15.0
216.16800	1.1
227.03496	1.4
227.16492	2.0
229.05022	0.5
243.12306	0.7
245.17535	14.4
246.17920	1.2
255.03026	1.7
256.03540	0.4
269.13919	0.7
284.03238	1.9
285.04031	3.6
300.02609	0.5
315.25415	0.7
339.12491	0.4
345.26440	0.7
357.26407	5.9
358.26849	0.7
375.27573	8.4
376.27805	0.7
389.21771	7.8
390.22171	1.0
407.22852	7.4
408.23093	1.1
417.21262	1.6
459.29831	0.7
471.29691	0.4
483.29645	0.6
489.30731	0.9
501.30481	1.9
519.31720	100.0
520.24121	0.4
520.32037	16.9
537.32800	28.1
538.33112	4.3
579.13324	2.2
579.24963	0.5
579.33838	3.8
580.13806	0.5
580.34204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.8
61.98701	100.0
68.66242	0.1
70.98023	0.2
78.95786	0.6
93.58923	0.1
96.79391	0.1
107.89867	0.1
151.00304	0.1
152.99541	0.4
165.97807	0.1
208.63747	0.1
211.33607	0.1
213.51117	0.1
277.21686	2.5
278.22040	1.7
279.22360	0.8
280.22751	0.5
295.91296	0.1
298.53467	0.1
485.30664	0.1
502.29236	0.7
503.29953	0.3
504.30408	0.2
505.30206	0.7
531.86383	0.1
568.14960	0.2
579.31171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92662	0.4
59.01256	8.8
61.98706	23.9
63.96106	1.7
68.78693	0.4
69.03317	0.9
69.29937	2.1
69.30360	1.5
71.01257	7.8
73.02817	1.7
78.95776	3.0
78.98463	6.1
79.95612	10.0
80.96393	70.5
81.03352	0.9
85.02818	2.9
87.00747	2.8
87.04377	0.4
90.55290	0.4
94.97968	15.8
96.95876	3.7
97.02850	1.4
99.00761	0.8
99.04414	0.5
101.02332	3.0
106.97968	3.6
113.02309	0.4
122.53642	0.5
122.97475	6.4
125.02361	2.8
127.03904	0.8
134.97481	4.7
136.99066	1.7
145.02892	1.9
146.97426	0.5
148.99055	6.2
152.98528	6.6
152.99583	0.7
163.91795	0.5
164.98547	11.4
168.04260	0.5
168.51170	0.4
182.99643	2.0
206.99684	3.3
225.00711	17.5
242.07986	1.1
243.01750	1.9
279.23358	3.0
281.24866	56.0
295.22757	0.4
299.04446	2.5
353.54166	0.4
506.32529	16.9
579.28455	100.0
580.28809	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	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51127	0.8
58.00459	0.7
59.01254	5.6
59.81071	0.8
61.98704	18.5
69.03329	1.6
71.01254	8.9
71.50304	1.4
73.02796	2.0
78.95777	7.6
78.98456	4.9
79.95605	10.9
80.96391	68.6
83.01276	1.0
85.02812	3.5
87.00759	4.3
89.02320	3.4
93.68510	0.9
94.97959	14.5
96.95891	22.8
97.02840	1.0
100.04620	0.9
101.02300	3.2
106.97945	3.0
113.02304	1.3
117.03355	3.9
119.04901	1.4
122.97447	2.5
125.02303	3.1
134.97498	6.0
136.99065	1.4
145.02858	19.0
148.99054	6.0
152.98476	5.1
152.99559	1.1
163.03877	1.0
164.98540	11.8
175.76302	0.8
177.89670	0.9
179.06876	0.9
206.99629	1.5
225.00684	14.3
253.21605	1.2
255.23267	3.3
279.23239	1.0
281.24844	13.7
299.04526	1.7
309.14731	1.0
343.01297	1.1
351.94281	1.0
506.32504	8.5
574.76050	0.9
579.28467	100.0
580.28735	16.2
600.87286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63676	2.1
55.01745	3.3
57.03323	6.0
59.01250	100.0
61.98704	6.3
69.35043	3.3
69.35390	23.9
70.45135	2.5
71.01256	36.7
71.04889	2.8
71.18463	2.5
72.99194	3.7
73.02821	11.3
74.02314	3.0
75.00747	3.7
81.03333	2.7
83.01252	5.9
85.02818	17.2
87.00768	7.5
89.02312	20.5
91.09106	2.5
93.03338	9.7
95.01261	2.9
96.95932	3.3
99.04356	2.6
101.02327	23.8
107.04851	2.9
111.04399	2.7
113.02343	13.7
119.03408	8.1
121.02886	3.7
125.02396	4.7
136.01538	18.9
136.03297	2.9
137.02348	2.9
143.04497	5.0
149.04419	5.4
151.03911	30.0
152.17912	2.4
161.02187	2.6
161.04491	7.6
166.02620	2.8
173.04437	7.6
173.05920	2.5
177.03313	6.2
179.05540	4.4
187.07521	3.8
191.05557	24.1
192.06056	2.5
220.18143	2.6
233.04463	2.6
281.08426	2.5
309.07706	10.0
315.18161	3.0
324.09985	4.0
339.12326	9.5
342.11075	7.2
357.13422	39.4
358.13794	4.0
375.27701	6.0
387.14719	5.1
389.25333	2.7
417.15433	4.7
447.21979	4.0
449.27866	3.8
464.88242	2.7
513.51740	2.8
519.32098	49.3
520.32013	7.0
536.73303	2.5
537.33350	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03313	2.1
58.00478	1.0
59.01249	26.1
61.98696	2.0
69.03321	0.9
71.01251	18.7
71.04883	0.7
71.29457	0.9
71.29803	1.1
72.99172	1.4
73.01019	0.6
73.02815	7.9
77.79443	0.6
81.03321	0.8
83.01270	2.9
85.02821	7.9
87.00735	2.1
88.53345	0.6
89.02315	8.9
93.03327	3.1
95.01251	1.4
96.95901	3.2
97.02821	1.3
99.00747	4.9
99.04385	1.9
100.24023	0.7
101.02322	13.9
107.01261	2.5
108.02052	1.5
109.02801	1.1
111.00748	1.1
113.02322	6.8
115.03881	1.6
119.03382	1.8
121.02804	1.0
123.04401	2.0
125.02303	2.8
129.09097	1.1
131.03386	0.9
134.03613	0.8
135.00761	1.8
135.04408	0.7
137.02298	0.7
143.03415	1.9
147.76942	0.6
148.01555	1.0
149.04454	3.0
150.03140	0.7
151.00270	3.9
155.10706	1.0
159.04401	1.1
161.02301	0.7
161.04494	3.4
161.05721	0.6
163.00241	1.9
165.01871	0.7
165.05460	0.7
167.04848	0.7
171.04437	1.2
171.24248	0.6
173.04488	1.5
175.03896	1.5
178.99715	2.1
183.04477	0.8
185.06006	1.4
187.03912	2.1
191.05534	6.1
192.05896	0.9
199.04005	1.2
199.09740	0.8
201.05525	0.8
203.03552	0.7
211.03937	1.3
213.05493	1.4
215.03397	1.0
215.16429	2.3
223.06065	0.6
226.02602	1.3
227.03447	17.3
228.03777	2.0
229.05000	5.6
230.05443	0.8
233.06610	1.1
239.03461	1.0
243.02962	10.1
244.03290	1.0
245.17535	2.6
254.02115	1.8
255.02960	48.6
256.03403	5.3
257.04553	4.7
271.02472	48.2
272.02890	6.8
284.03256	27.5
285.04004	45.6
286.04462	5.6
293.08749	1.4
299.01993	1.6
300.02740	85.3
301.03198	11.2
302.03699	0.7
325.14233	0.8
327.05060	0.8
357.26370	1.2
375.27527	1.7
387.14737	1.0
387.20239	2.8
407.22870	2.0
519.24402	30.8
519.31805	21.5
520.24683	4.1
520.32190	2.9
537.32843	7.1
538.33185	1.0
579.13538	100.0
580.13855	20.6
580.22913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.8
57.03321	3.1
59.01250	43.8
61.98702	2.5
66.70228	1.0
71.01255	22.9
72.99181	4.7
73.02810	6.8
83.01256	3.2
83.02380	1.1
83.62112	1.2
84.42822	1.3
85.02829	12.1
87.00749	4.1
88.98673	2.7
89.02312	11.1
91.00250	1.3
93.03310	5.4
95.01251	2.1
96.95878	5.8
97.02834	1.6
97.06482	2.5
99.00744	4.2
101.02322	15.0
105.83892	1.3
106.94038	1.3
107.01266	2.8
109.02830	2.7
111.04419	2.2
113.02334	10.8
119.03388	2.6
119.04898	1.8
123.04437	1.4
123.66002	1.6
125.02332	4.2
131.03381	2.0
135.00815	2.0
135.04362	2.9
137.02287	2.8
137.09569	1.3
143.03384	1.5
148.01572	1.4
149.04482	3.4
151.00308	6.9
151.03891	1.0
153.01808	1.3
155.03474	1.1
159.03020	1.5
159.04366	1.8
161.02347	4.0
161.04448	3.3
163.00250	1.4
164.04735	7.5
165.01804	1.7
165.03931	1.2
165.05472	1.3
173.04485	6.0
175.03888	1.4
178.99777	4.7
179.03465	2.1
179.05647	1.3
179.07045	7.2
185.06041	1.4
187.03844	2.3
191.05550	20.0
192.05904	1.5
211.03922	1.8
214.91989	1.2
225.11354	1.6
227.03447	27.2
228.03728	1.5
229.05031	6.6
239.03386	1.7
243.02960	8.0
244.03374	1.3
245.17499	4.1
254.02202	1.6
255.02971	56.9
256.03351	7.7
257.04489	3.5
271.02466	43.9
271.05569	2.0
272.02914	4.9
282.89420	1.3
284.00073	1.6
284.03253	29.3
285.04037	71.9
286.04248	4.3
298.01785	1.1
300.02734	81.0
301.03076	9.5
343.15323	1.8
357.26398	2.2
375.27661	2.4
387.14578	2.5
389.21780	1.4
407.22974	2.5
417.11859	1.4
447.22101	1.7
519.24432	7.9
519.31732	38.6
520.24615	1.6
520.32025	1.7
537.32819	10.7
579.13544	100.0
579.21301	3.8
580.13837	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.5
63.02266	0.7
65.00192	0.6
69.30411	2.4
73.02813	0.7
83.01260	0.7
85.02827	0.5
89.02314	0.3
91.01765	0.5
91.28685	0.3
93.03338	1.9
95.54168	0.3
96.95900	0.3
97.25848	0.2
98.19812	0.6
101.02309	0.9
106.24916	0.3
107.01272	2.6
109.02828	0.8
111.33192	0.2
113.02377	0.3
117.03357	0.5
123.00758	0.3
132.02052	0.6
135.00760	1.6
143.04929	1.1
151.00250	2.3
153.01845	0.4
154.04118	0.4
155.04834	0.4
157.06503	0.8
159.04449	1.7
163.00246	3.5
164.01085	0.5
165.01852	0.8
167.04875	0.6
169.06476	1.0
171.04405	1.2
173.05978	0.4
174.03148	0.3
183.04446	1.0
185.06013	3.1
187.03922	3.4
189.05478	1.1
195.04448	0.9
196.05199	0.4
197.05997	1.1
199.03903	1.0
200.04552	0.3
201.05501	0.9
211.02138	0.4
211.03941	3.0
212.04807	0.6
213.05447	2.2
214.02562	0.3
215.03369	0.3
226.02745	0.3
227.03447	33.5
228.03793	2.4
229.05013	15.4
230.05399	1.2
233.82095	0.3
239.03450	2.5
240.04182	1.1
241.04968	1.8
243.03073	0.6
255.02968	54.7
256.03476	7.8
257.04532	7.8
258.04932	0.7
267.02930	1.2
268.03485	0.3
283.02444	0.9
284.03256	53.7
285.04013	100.0
286.04364	8.5
327.05017	0.9
339.12518	0.5
519.28094	2.0
537.29181	1.1
579.13538	71.5
580.13849	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	579.1358
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
57.03358	0.3
59.01252	9.1
59.33246	0.2
60.01588	0.4
60.81517	0.2
61.51355	0.3
63.02271	0.5
65.00185	0.5
70.76101	0.2
70.80722	0.5
73.02837	0.8
78.17828	0.2
83.01278	0.9
85.02824	0.9
87.00783	0.3
87.25953	0.2
89.02328	1.2
93.03335	1.6
96.95897	1.5
101.02321	1.5
107.01287	2.1
108.02110	0.3
109.02839	0.9
113.02322	0.9
117.03342	0.5
117.97449	0.2
119.76143	0.3
125.02374	0.3
131.04927	0.3
132.02075	1.0
135.00771	1.3
137.02347	0.3
141.07054	0.3
143.04936	0.7
149.04463	0.3
150.08441	0.2
151.00275	2.6
153.01843	0.5
154.04070	0.3
155.04951	0.2
157.06482	0.8
159.04431	1.7
161.04420	0.7
161.05798	0.2
163.00293	3.0
164.01053	0.7
165.01862	0.6
165.05450	0.3
167.04918	0.9
169.01270	0.3
169.06496	1.0
171.04419	0.7
173.04559	0.2
173.05933	0.3
178.99799	0.4
182.03729	0.2
183.04424	1.0
185.06038	2.5
187.03946	3.1
189.05463	1.1
191.05560	1.2
192.00674	0.2
195.04475	0.9
196.05283	0.5
197.05989	1.4
198.03261	0.3
199.03960	0.9
201.05531	0.7
210.03322	0.3
211.03954	2.3
212.04727	0.5
213.05487	1.8
213.07321	0.3
214.02592	0.4
215.03375	0.3
223.04008	0.4
227.03468	29.3
228.03809	2.6
229.05035	13.4
230.05284	1.1
239.03471	1.9
240.04178	0.9
241.05020	1.6
242.77740	0.3
243.03003	0.4
255.02989	48.8
256.03513	6.3
257.04562	7.3
258.04837	0.7
267.02988	1.0
283.02438	0.9
284.03275	50.3
285.04037	100.0
286.04428	8.3
327.04990	0.8
327.12152	0.5
339.12122	0.4
357.82446	0.2
494.16187	0.3
519.28113	3.5
520.27887	0.4
537.29077	1.8
579.13550	79.8
580.13910	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31204	0.3
56.96112	0.3
59.01250	17.0
60.01556	0.3
63.96111	0.3
70.80578	0.5
70.80900	0.4
71.01263	1.2
78.10732	0.3
78.95778	6.1
78.98473	1.0
79.95604	1.6
80.96390	12.3
81.70690	0.3
81.96340	0.6
82.95972	1.1
83.04915	0.3
87.00755	0.3
94.35445	0.3
94.40916	0.3
94.97968	2.3
96.97545	0.3
101.02354	0.7
111.06610	0.3
122.97475	0.8
125.02301	0.5
134.97501	0.5
148.99094	1.0
152.98532	0.9
152.99533	1.1
159.29782	0.3
163.40410	0.3
164.98572	1.4
165.98912	0.4
168.04228	1.4
224.06885	0.9
225.00696	2.4
226.00911	0.8
242.07912	2.7
243.01865	0.3
261.22137	0.4
278.22009	0.3
279.23285	100.0
280.23618	10.5
299.04517	0.3
504.30984	25.0
505.31271	4.9
565.86224	0.3
578.27185	17.4
579.27112	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.9
61.98698	0.8
70.80762	1.1
71.01235	0.7
78.95776	23.9
78.98438	0.4
79.95601	0.9
80.96394	7.1
82.95982	0.7
90.00034	0.4
94.97963	1.6
96.96810	0.4
122.97527	0.4
122.98413	0.8
136.49529	0.4
152.98529	0.7
152.99518	3.7
164.98511	0.6
168.04207	3.9
198.17786	0.5
209.11769	0.8
224.06894	8.8
225.00737	0.7
225.07283	0.4
242.07999	2.1
261.22083	0.5
279.23282	100.0
280.23627	11.6
427.49402	0.4
492.31546	0.4
504.30966	64.2
505.31265	11.5
578.27148	9.1
579.26965	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	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
63.96114	1.2
69.03325	0.5
70.48225	1.3
71.01253	8.1
73.02824	2.0
78.98466	5.5
79.95608	11.2
80.96394	71.5
81.03336	0.9
85.02821	2.7
87.00765	3.0
94.97964	16.7
96.95893	1.2
97.02842	1.6
99.00787	0.5
101.02322	2.8
106.97973	2.9
113.02313	0.7
122.97469	5.9
125.02338	2.9
127.03905	0.6
134.97482	5.3
136.99049	1.6
148.99048	5.6
152.98541	6.9
164.98547	11.1
167.00128	0.4
176.21652	0.4
182.99580	3.0
188.98523	0.4
206.99614	3.0
225.00699	16.0
226.00986	0.6
243.01776	1.4
277.21921	2.3
299.04456	2.3
310.32181	0.5
577.26874	100.0
578.27234	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87130	0.3
59.01244	1.0
63.96093	1.2
69.03329	0.7
69.41097	0.4
69.92253	1.5
71.01251	8.9
72.99151	0.4
73.02823	2.0
74.71932	0.4
76.97132	0.3
78.98459	6.3
79.95606	9.5
80.96389	76.2
81.03323	0.8
81.96314	0.5
85.02811	3.3
87.00768	3.1
94.97960	17.5
96.95901	0.9
97.02827	2.1
99.00751	0.7
101.02317	3.0
105.06197	0.4
106.97961	3.5
122.97459	7.2
125.02354	3.5
126.64078	0.4
127.03899	1.0
134.97476	5.7
136.99014	1.5
148.99042	7.0
152.98538	8.7
164.98547	13.0
165.98790	0.6
167.00111	0.6
178.19308	0.4
179.00165	0.5
182.99649	2.8
206.99648	3.8
219.50740	0.4
223.00510	0.4
225.00688	18.4
226.01033	0.5
243.01796	2.3
277.21631	2.7
299.04349	3.1
577.26843	100.0
578.27203	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.8
61.98696	8.1
63.96087	1.1
64.77348	0.6
69.17291	2.3
69.17697	4.8
71.01250	9.0
73.02808	2.1
76.19841	0.7
78.95770	5.4
78.98466	6.5
79.74107	0.7
79.95597	8.6
80.96385	67.6
81.03313	1.3
85.02814	3.6
85.40621	0.6
87.00749	3.4
94.73309	0.7
94.97955	13.2
96.95862	0.9
97.02785	1.2
99.00734	1.1
101.02296	2.9
106.97984	3.2
113.02335	0.9
122.97452	2.8
125.02335	2.8
134.97435	5.2
136.99002	1.6
148.99040	6.0
152.98497	6.3
164.98543	14.0
168.04099	0.7
169.43773	0.6
176.74873	0.7
180.30444	0.7
206.49664	0.6
206.99641	2.3
209.11765	2.8
212.00771	0.6
224.06897	2.4
225.00703	12.7
225.11012	0.7
242.08000	1.1
250.28105	0.7
277.21710	2.2
279.23273	25.0
299.04407	3.3
308.25577	0.7
311.22256	0.8
324.81128	0.7
337.99823	0.8
504.30887	15.9
577.26819	100.0
578.27148	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	1.1
59.01250	18.0
71.01250	4.1
71.49871	0.8
71.50297	1.2
73.02856	0.7
75.40153	0.8
78.21458	0.7
80.96383	0.7
83.04895	1.2
89.02319	1.8
89.53433	0.7
101.02312	3.0
102.40605	0.7
109.06484	1.1
113.02341	1.2
113.09611	2.3
163.11002	0.9
171.10085	1.0
181.12303	1.0
191.05399	0.8
201.88475	0.8
207.10178	2.9
209.11732	10.7
216.71263	0.7
225.11217	6.9
227.12856	1.1
235.08148	1.0
253.09256	12.5
255.23363	1.0
281.24854	100.0
282.25232	11.8
293.21210	10.6
294.21487	0.9
295.22809	8.2
296.22949	1.0
331.22662	0.9
400.58057	0.8
542.06805	0.9
577.37653	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
61.98689	0.4
65.00217	0.5
67.01767	0.3
69.33089	2.2
71.01266	1.7
73.02827	0.5
80.38535	0.2
83.01250	0.5
85.02823	1.1
85.64899	0.2
87.00744	2.7
89.02332	0.8
93.03334	2.4
93.98368	0.3
98.80574	0.3
101.02340	0.9
109.99971	0.6
111.04382	0.6
113.02345	0.7
114.55000	0.3
117.03315	0.4
142.82423	0.2
147.21223	0.3
149.04413	0.4
151.00262	0.7
155.03424	0.4
155.04892	0.2
159.04402	0.5
163.00235	0.3
165.01848	1.2
172.05183	0.4
173.04495	2.8
173.05893	0.4
182.03656	0.4
183.04454	1.8
186.03101	0.3
186.06728	0.7
187.03928	0.4
187.07484	0.5
191.05534	5.5
193.01353	0.5
211.03986	2.3
211.07501	0.3
212.04553	0.3
214.06248	1.7
215.06999	0.8
227.03450	7.0
228.04082	0.9
229.08678	0.9
239.03447	0.4
240.04199	0.3
243.06587	0.6
244.07140	0.3
254.02390	0.3
255.02971	44.7
256.03439	5.2
268.22168	0.3
269.04550	0.5
270.01672	0.4
271.06097	1.4
283.02466	100.0
284.03015	16.4
285.03647	0.5
297.04181	0.4
298.04813	84.9
299.05511	32.4
299.08264	0.2
300.05914	2.4
311.12802	0.6
327.16153	0.6
371.14902	0.7
385.16931	0.3
395.07794	0.4
403.17596	0.6
412.96179	0.3
413.08850	1.0
414.09225	0.4
487.12878	0.4
517.30328	0.3
577.15582	75.6
578.15930	13.2
578.23212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01255	9.5
65.00201	0.6
67.01752	1.2
68.95995	0.4
71.01249	3.0
73.02821	0.7
85.02806	2.9
87.00751	14.1
89.02319	1.3
93.03334	7.6
97.02805	0.5
97.06477	0.7
101.02339	1.8
109.02840	0.5
111.04391	2.5
113.02328	1.3
117.03347	0.8
121.02872	0.8
127.03860	0.7
133.02841	0.5
137.02374	0.7
145.02882	0.6
147.04483	0.5
149.04504	1.0
150.94902	0.4
151.00182	0.6
155.03360	1.5
159.04399	1.1
162.06520	0.4
165.01840	2.6
167.03413	0.6
171.10117	0.6
172.05281	0.5
173.04485	9.5
173.05966	1.0
174.06758	0.5
179.03354	0.7
182.03685	0.6
183.04468	2.0
185.06004	0.6
186.06773	4.7
187.03903	0.8
187.07619	2.4
191.05536	15.1
192.05820	1.1
193.01341	3.0
193.12276	0.6
200.04707	0.6
201.05504	2.1
201.09142	1.2
204.59616	0.5
211.03990	2.6
211.07498	0.7
214.06279	10.1
215.07048	4.7
225.14868	1.2
227.03462	4.1
229.08607	4.2
229.77821	0.6
230.09406	1.3
231.10123	0.9
233.06734	0.6
243.06496	0.6
253.09239	2.0
255.02968	44.7
256.03448	3.4
271.06100	0.9
274.08414	1.0
283.02469	100.0
284.02908	10.7
298.04822	78.0
299.05386	15.3
300.06033	0.9
306.11160	0.5
311.12857	2.5
327.16214	0.7
341.23389	6.2
353.14038	0.9
371.14966	3.7
372.15485	0.8
385.16681	1.1
403.17529	2.8
413.08838	1.7
504.44037	0.6
505.33682	0.8
517.30176	0.6
545.20032	1.0
577.15588	65.8
577.31665	2.0
578.15924	12.8
578.24652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55656	0.2
59.01251	19.4
60.01593	0.3
61.98692	0.4
65.53792	0.2
71.01254	0.3
78.95772	7.4
106.34863	0.2
124.56998	0.2
127.07555	0.2
152.99469	1.6
168.04216	1.9
178.35710	0.2
203.15599	0.2
205.19583	0.2
224.06927	1.2
233.22667	0.3
242.07954	3.5
259.20694	0.4
275.20020	0.4
277.21710	100.0
278.22061	9.9
315.21460	0.2
377.65625	0.2
502.29395	29.0
503.29742	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52711	0.4
59.01251	30.8
61.98709	0.6
63.96090	0.9
69.03333	0.6
71.01247	6.1
71.49383	0.3
71.49833	0.5
73.02810	1.1
78.95773	27.0
78.98456	4.1
79.95603	7.9
80.96390	55.1
81.03303	0.9
81.60800	0.4
85.02824	2.1
86.40136	0.4
87.00763	2.1
94.97961	12.3
95.01250	0.5
96.95905	1.0
96.96841	0.5
97.02839	1.2
99.00755	0.5
99.16474	0.5
101.02328	2.0
103.29499	0.4
106.97984	2.5
113.02330	0.5
122.97488	3.9
122.98325	0.8
125.02330	3.0
127.03867	0.9
134.97498	4.3
136.99045	1.0
148.99046	5.6
152.98512	5.1
152.99527	3.5
164.98544	8.7
168.04221	4.6
175.99921	0.4
182.99704	2.1
206.99689	2.5
209.11699	0.6
216.75333	0.4
224.06885	11.5
225.00703	12.8
226.27148	0.4
233.22809	0.7
242.07977	2.6
243.01787	1.6
259.20618	0.5
275.19995	1.0
277.21716	100.0
278.22031	10.0
299.04422	2.4
394.29202	0.4
428.67856	0.5
502.29395	73.0
503.29712	10.8
517.73108	0.5
577.26843	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24907	0.2
59.01256	0.4
61.98705	100.0
62.98402	0.3
64.05772	0.2
69.48470	0.3
69.48869	1.2
71.01250	0.4
78.98478	0.4
79.95602	0.5
80.96392	3.2
85.02858	0.2
94.97974	0.8
98.20557	0.4
152.98518	0.4
164.98587	0.5
225.00752	0.7
277.21899	0.7
278.22064	1.2
279.22479	0.6
280.22751	0.4
312.39764	0.2
577.17841	0.2
577.26837	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
61.98702	100.0
65.05259	0.2
70.62627	0.4
70.62968	0.2
71.01260	0.3
78.95774	3.0
80.96396	0.8
94.98001	0.2
96.96835	0.2
100.31604	0.2
115.91965	0.7
116.92758	0.2
127.39047	0.2
149.32335	0.2
152.99576	0.2
160.13878	0.2
164.98599	0.3
179.89148	0.6
180.89870	0.4
191.05623	0.2
194.83566	0.2
196.89473	0.8
209.11778	0.5
236.92613	0.3
277.21783	0.2
278.22095	0.7
279.22366	0.4
312.70279	0.2
468.16135	0.2
476.27707	0.2
485.16089	0.3
576.20386	1.2
577.19897	0.2
577.27246	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	575.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63306	0.7
52.18410	0.7
59.01255	100.0
60.01599	1.2
61.98705	4.2
71.01276	2.2
78.95804	1.0
80.56618	0.7
83.01304	0.7
89.02325	1.9
96.75064	0.8
96.79077	0.7
101.02345	0.9
119.03409	1.8
161.02429	1.2
163.75943	0.8
179.05635	1.0
191.05629	1.4
217.08694	0.9
263.64014	0.8
298.15799	1.5
388.94235	0.8
575.29578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83644	0.7
59.01253	16.4
71.01261	5.0
72.99169	0.8
73.02819	1.1
78.95779	2.1
83.01293	0.7
83.04890	0.6
85.02832	1.1
87.00772	0.6
87.75983	0.5
89.02298	3.1
98.20552	2.5
101.02322	4.8
108.02044	4.3
109.02832	1.7
111.08018	0.9
113.02336	1.8
119.03396	1.8
135.04434	2.5
140.74808	0.7
152.01091	3.6
152.99538	1.2
153.01845	0.7
161.02347	1.2
191.05486	1.2
207.10240	0.7
209.11760	6.2
225.11261	1.7
227.12778	0.9
229.54611	0.9
235.08295	1.1
253.09276	12.9
254.09691	1.0
279.23297	100.0
280.23660	10.8
291.19724	5.9
291.22839	1.0
293.21201	2.3
297.09711	1.6
315.10873	1.9
329.20929	1.0
351.81967	0.7
465.38214	0.7
512.90851	0.8
575.27997	3.4
575.36389	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	575.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24027	0.7
53.52940	0.6
55.01738	0.8
58.00474	3.9
58.06659	0.7
59.00959	1.4
59.01251	23.2
61.98700	2.3
65.03823	0.9
69.03310	1.4
70.18612	3.2
71.01249	14.2
72.99181	1.8
73.02811	2.6
75.00784	0.8
78.95784	1.4
81.03344	1.0
83.01254	2.6
83.04901	1.8
85.02818	9.6
85.99969	3.8
87.00745	14.7
89.02316	4.8
93.03334	3.1
96.53222	0.7
97.02813	1.1
97.06473	3.0
99.00758	16.7
99.04375	1.8
101.02324	5.9
106.04084	1.0
109.02843	3.1
109.06523	1.1
111.04406	2.4
113.02329	3.6
117.01853	0.8
119.03391	2.5
119.04855	1.0
121.02775	1.0
122.03628	1.6
123.04407	2.1
123.65723	0.9
125.02331	1.7
133.02818	3.8
134.03645	5.1
135.04420	8.3
137.02361	1.9
138.06766	2.0
139.07561	6.7
146.03659	3.8
147.04405	2.9
149.05992	10.7
150.03113	0.9
151.03879	1.7
151.07576	0.9
158.03618	1.7
159.04417	9.3
161.02361	9.0
161.04453	1.0
161.05995	2.6
162.02713	1.7
163.07518	5.2
172.05223	4.2
173.04581	1.6
173.06006	4.8
174.03143	1.0
174.06738	1.7
175.07570	5.2
176.04387	0.9
177.09113	2.1
179.03476	3.7
180.04207	1.0
183.04347	1.0
184.05173	1.6
185.05969	6.0
185.09511	1.0
185.39517	0.9
186.06779	2.8
187.03981	1.6
187.07565	29.1
188.08023	1.6
189.09166	2.6
191.05591	2.7
194.20390	0.8
196.05186	2.3
197.06017	14.9
198.06711	6.5
199.04047	1.0
199.05869	1.5
199.07587	20.0
200.08289	6.6
201.09177	8.8
202.06285	2.5
202.09789	1.9
203.07085	5.0
204.04214	1.0
209.05969	1.7
209.11777	2.3
211.03979	1.5
211.07608	6.0
211.13342	2.7
212.04704	1.2
212.08231	1.0
213.09157	12.9
214.09894	2.1
215.07138	1.4
215.10832	3.9
223.07591	2.7
224.04742	3.0
224.08153	1.1
225.05534	7.0
225.09126	5.7
225.11201	1.1
226.06334	10.4
226.09924	2.0
227.07033	2.2
227.10713	27.1
228.11411	4.7
229.12286	34.7
230.12653	3.0
231.13919	1.7
238.06364	0.9
240.07814	1.1
241.08546	2.0
243.06593	2.4
243.10258	2.6
244.07372	1.2
245.12000	1.0
253.08688	11.2
253.12221	1.9
254.09279	2.1
255.10243	39.3
256.10648	4.4
257.08224	1.4
257.11996	1.1
268.07394	5.6
269.08142	1.7
269.11743	2.0
271.09744	13.3
272.10297	3.8
273.11319	32.4
274.11740	2.6
285.07605	1.0
285.11679	1.1
285.15067	1.0
287.12726	4.3
295.09763	1.9
297.11517	3.7
297.14520	1.4
300.02554	1.0
313.07526	1.5
313.10870	13.4
314.11057	1.5
315.12372	44.5
316.12759	4.1
329.10272	1.2
331.11813	1.8
343.12329	3.7
345.13605	1.7
355.11819	1.0
373.12943	11.6
374.13565	7.3
375.14438	10.1
376.14914	1.5
407.65219	0.8
433.15033	36.7
434.15762	100.0
435.16257	13.9
461.67300	1.6
477.20905	1.2
478.14603	1.0
531.22150	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	573.2187
Annotation	Iandonoside B
Peak:m/z	Relative Intensity
58.00462	1.3
59.01254	23.7
61.98703	1.3
70.06128	2.1
70.06513	2.6
71.01259	11.9
72.99180	1.5
73.02824	1.6
83.01279	0.9
85.02821	2.4
86.10316	1.0
87.00754	0.9
89.02315	13.6
101.02329	10.4
113.02340	2.9
119.03383	7.0
134.03636	1.8
144.10490	0.9
146.03554	0.8
159.04396	2.1
161.04517	1.1
172.05255	1.0
173.04634	1.2
173.05994	4.4
187.03992	1.3
187.07567	16.2
191.05551	1.8
201.05530	3.9
202.06317	21.4
203.06606	1.8
216.07715	1.4
231.10231	29.5
232.10576	2.1
249.11290	1.2
277.49814	1.0
386.30872	1.1
411.16602	100.0
412.16934	12.6
529.22858	0.9
573.22064	6.3
574.21863	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	574.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48706	0.1
57.03335	0.2
58.04609	0.1
59.01252	1.3
60.44428	0.1
60.46700	0.1
61.98701	100.0
62.98394	0.2
69.79191	0.8
71.01257	0.4
72.81107	0.2
82.24896	0.1
82.70812	0.1
85.02837	0.2
87.00760	0.5
89.02309	0.2
93.03300	0.2
97.06444	0.2
98.20558	0.2
99.00783	0.6
99.10816	0.1
101.02342	0.3
133.02884	0.2
135.04384	0.3
136.58170	0.1
139.07599	0.2
149.05998	0.3
159.04419	0.3
161.02368	0.5
173.05933	0.2
175.55554	0.1
185.05928	0.2
187.07576	0.9
197.06113	0.5
199.07613	0.7
199.10997	0.2
201.09178	0.2
209.11690	0.2
211.07762	0.2
213.09100	0.3
225.09122	0.2
226.06378	0.2
227.10669	0.8
229.12344	1.2
243.10207	0.2
253.08676	0.6
255.10213	1.4
268.07538	0.2
271.09772	0.5
273.11298	1.2
285.89618	0.2
287.12912	0.2
297.11563	0.2
313.10867	0.3
315.12421	1.3
373.12943	0.4
374.14001	0.2
375.14523	0.2
433.15024	1.3
434.15817	3.2
531.22308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03428	1.0
58.00458	4.2
59.01256	20.9
61.95972	0.9
61.98692	2.6
65.03835	1.3
67.38793	1.0
71.01254	11.4
72.99177	2.1
73.02821	4.4
78.95786	2.5
80.32250	0.9
81.03313	1.0
83.01249	2.9
84.01985	1.0
85.02810	10.1
85.99964	3.3
87.00757	12.2
89.02332	5.4
93.03352	2.6
95.04892	1.2
97.02789	1.4
97.06473	2.3
99.00752	13.0
99.04427	1.9
101.02332	7.8
109.02832	3.1
111.04388	3.0
113.02332	3.9
119.03424	1.8
122.03673	1.7
123.04414	1.8
125.02289	2.1
127.03868	1.6
133.02829	6.4
134.03662	5.6
135.04417	8.2
137.02330	1.8
139.03900	1.0
139.07594	5.4
141.01886	1.0
145.02838	1.8
146.03601	3.3
147.04422	3.2
149.06003	9.5
151.04004	1.8
151.07509	1.2
152.99495	2.4
158.03633	1.4
159.04436	8.4
160.05190	1.0
161.02357	7.8
161.05969	2.9
162.02731	2.5
163.03918	1.4
163.07524	7.5
170.58900	1.3
172.05251	4.9
173.04507	2.7
173.06009	4.3
174.06755	2.7
175.07553	7.6
177.09116	3.0
179.03429	4.4
181.06548	1.1
183.04398	1.1
185.05975	3.8
186.06728	2.3
187.07573	27.1
188.08018	2.2
189.09151	2.9
191.05521	6.0
196.05185	1.9
197.06004	14.3
198.06786	6.4
199.07582	18.0
200.04651	1.2
200.08270	6.6
201.05428	1.4
201.09111	9.1
202.06291	3.0
203.07033	4.6
209.06064	1.8
209.11765	2.3
211.04094	1.6
211.07547	7.6
211.13423	1.4
212.08270	2.2
213.05653	1.3
213.09174	12.2
214.09825	2.1
215.10703	3.4
223.07509	1.9
224.04782	4.8
225.05594	7.7
225.09052	5.8
226.06340	9.7
226.09822	1.7
227.07111	2.4
227.10712	26.7
228.11249	5.5
229.12286	37.1
230.12749	2.4
240.07979	1.6
241.08652	1.6
242.09506	1.0
243.06577	1.9
243.10255	2.8
244.07327	1.3
253.08665	11.6
253.12253	1.6
254.09306	3.2
255.10242	42.2
256.10559	2.8
268.07364	9.2
269.11877	2.9
271.09750	12.6
272.10507	5.6
273.11310	28.5
274.11624	2.3
287.12836	3.9
295.09784	3.1
297.11255	5.3
313.10727	11.2
314.11548	1.7
315.12369	41.4
316.12769	3.9
327.25259	2.9
329.10529	1.5
343.11862	1.6
373.12891	12.3
374.13513	5.5
375.14536	11.7
376.14536	1.3
416.15356	1.2
431.42615	1.1
433.15009	38.5
434.15787	100.0
435.16238	15.1
531.22137	3.9
533.33313	1.5
575.33929	7.5
576.22571	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	572.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81439	0.2
59.01255	1.5
61.98702	100.0
69.72810	1.0
74.91180	0.1
78.95769	0.3
83.04905	0.2
88.28131	0.2
93.03301	0.2
101.02367	0.2
124.01941	0.2
133.02867	0.6
134.03687	0.2
135.04390	0.4
161.02335	1.9
173.04472	0.2
179.03455	0.5
188.25998	0.2
191.05388	0.2
201.97231	0.1
211.13373	0.2
231.13029	0.2
235.48836	0.2
293.62692	0.2
317.62546	0.2
341.08926	0.3
358.68579	0.2
382.22638	0.2
469.18903	0.2
573.20465	0.2
573.30334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
58.90047	0.5
59.01247	0.6
68.38534	0.6
75.00728	0.6
78.95777	65.8
96.96845	12.4
103.31902	0.6
112.22846	0.6
113.75221	0.6
150.97955	1.2
152.99495	100.0
153.99867	1.9
171.00557	2.0
223.00073	10.1
229.43431	0.6
237.22281	0.6
241.01167	26.8
242.01515	1.2
255.23271	76.6
256.23572	7.3
259.02313	1.2
315.04910	14.4
333.05692	1.3
391.22437	1.0
571.28882	96.9
572.29248	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	571.2912
Annotation	Ganoderic acid H
Peak:m/z	Relative Intensity
57.03324	18.5
59.01250	41.1
60.01585	0.6
61.98702	5.8
63.84520	0.3
65.03834	0.4
69.03325	2.7
69.44077	1.3
69.44498	1.6
71.01236	0.8
71.04880	0.8
72.63064	0.3
78.95761	0.5
79.05397	1.1
81.03326	1.2
83.04897	5.4
85.02816	1.5
89.89125	0.4
91.05399	0.7
93.03331	1.5
95.04903	1.5
96.19138	0.3
97.02807	1.2
97.06471	2.0
98.03603	1.4
99.04379	1.1
105.06955	0.7
107.04901	1.3
109.02832	1.6
109.06468	2.3
111.04420	0.8
118.78554	0.3
119.04848	0.6
119.08570	0.7
120.05695	0.3
121.06478	1.5
123.08041	2.5
127.03817	0.5
131.08559	7.8
132.08871	0.4
133.02847	0.7
133.06506	1.7
133.10013	0.4
134.03644	0.5
134.07190	0.4
135.04463	0.7
135.08040	0.5
137.09598	0.4
143.10693	0.6
147.08078	2.3
148.08434	0.4
149.05920	0.6
149.09628	7.2
150.09941	0.5
159.11696	3.4
161.02359	1.8
161.09613	1.5
165.08992	0.4
175.07564	1.4
175.11142	0.6
179.03493	0.4
183.11746	0.9
185.13243	0.9
191.05496	0.5
191.14342	0.6
193.15886	0.5
201.12798	1.9
203.10648	0.5
203.14311	3.5
209.11787	0.6
219.13841	0.9
221.11766	0.7
221.15491	0.5
227.10703	0.4
229.12215	0.7
245.11838	1.3
247.13365	4.2
263.12866	25.3
264.13208	1.6
265.14450	12.0
265.17331	0.7
266.14767	1.2
281.13953	2.0
305.14212	0.5
323.15024	1.5
404.63501	0.4
459.13885	0.4
511.27051	2.8
553.28363	0.5
571.29089	100.0
572.29437	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	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86487	1.1
59.01250	45.7
61.98698	13.4
69.16506	4.3
69.16923	9.0
71.01245	5.0
73.02818	1.8
78.95754	1.7
81.03346	1.8
82.47855	1.2
83.04882	5.0
85.02817	3.3
87.00737	2.6
89.02335	2.3
93.03353	2.5
97.06432	1.1
101.02304	3.1
107.04918	1.1
109.02815	1.4
113.02335	3.0
121.02828	2.0
123.07990	1.6
132.02075	2.0
133.02847	21.5
134.03645	3.7
135.03441	2.1
135.04417	27.7
137.02286	2.8
139.03859	1.9
144.05659	1.1
146.03513	1.1
149.04378	1.7
149.05978	2.0
159.04335	1.2
160.01588	1.3
161.02345	56.5
161.04413	2.1
162.02721	1.6
163.11134	3.6
165.12793	2.4
171.10175	6.2
172.05357	1.3
173.04483	2.3
173.05885	2.1
174.06711	1.4
175.03920	3.1
177.05492	2.0
178.02602	3.2
179.03403	34.9
179.06853	1.1
181.04962	5.0
181.12271	1.5
187.03902	3.2
187.07503	3.9
189.05472	1.4
191.05544	8.2
191.10739	1.2
200.04626	1.6
201.05513	4.3
201.09137	2.7
202.06308	4.7
203.03461	15.2
209.11777	100.0
210.12076	6.4
215.07060	1.5
221.04558	3.6
221.11749	1.6
223.06055	3.0
227.03616	1.3
227.12843	10.5
228.07814	1.7
229.08629	3.9
230.09406	2.6
231.10211	1.8
250.08481	1.2
281.06613	6.4
340.07886	1.2
341.08771	17.3
397.20206	2.2
409.14838	1.7
571.18036	4.0
571.27972	3.7
572.18463	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	570.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50861	0.2
59.01245	0.8
61.98700	100.0
70.71495	0.4
86.28616	0.2
87.00768	0.6
89.02304	0.3
89.52230	0.2
98.19641	0.2
144.64244	0.2
149.04468	0.3
151.16376	0.2
161.02411	0.3
179.02065	0.2
187.07523	0.2
201.05615	0.3
214.06378	0.3
215.07115	0.2
229.08839	0.3
269.79474	0.2
311.13571	0.2
389.16306	0.3
432.14346	0.2
509.47089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
61.98700	100.0
62.98413	0.2
70.94730	0.2
80.68610	0.2
87.00751	0.3
99.89785	0.2
163.92120	0.2
168.41248	0.2
229.08624	0.6
230.09427	0.3
287.03357	0.2
300.98315	0.2
390.37766	0.2
409.15005	0.3
500.67291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37967	0.9
52.41145	1.0
55.01754	7.4
57.03021	1.1
57.03321	32.9
59.01250	53.0
61.98687	3.1
69.03320	1.1
69.27426	9.2
71.01254	5.9
72.99184	1.2
73.02811	1.3
74.26247	0.9
75.00745	14.9
76.56827	0.8
78.95760	0.8
81.03334	1.2
83.04900	2.1
85.02833	4.4
87.00706	1.4
87.90019	1.0
89.02325	4.9
93.03333	1.2
94.04170	1.2
95.04903	2.3
96.95879	5.3
97.02811	4.1
97.06438	1.2
99.04391	22.5
101.02309	11.9
107.04889	1.2
109.02831	4.4
109.06474	3.0
111.04386	3.5
113.02324	1.9
119.03393	1.4
121.06472	2.6
122.03615	7.3
123.04423	2.2
124.05190	14.5
125.02326	5.5
125.06026	4.6
129.01834	5.5
131.03397	1.1
133.02846	1.5
133.06479	8.1
135.04408	3.6
135.08119	1.6
137.02434	1.0
137.05966	11.5
139.07542	100.0
140.07889	5.0
140.08835	0.9
147.02916	6.7
147.08043	3.7
149.05986	2.5
149.09602	1.3
153.05431	1.1
157.10071	1.3
161.02419	5.2
161.04462	14.3
161.05844	1.5
165.03958	24.8
165.05244	0.9
168.07832	17.6
169.08595	10.8
171.08133	1.2
173.04477	2.0
177.12703	1.4
179.10715	1.2
181.08647	3.8
187.11197	11.6
188.11406	1.0
190.09955	2.4
191.05598	5.0
202.06137	1.0
205.12276	25.7
206.12639	2.0
207.05113	1.9
210.08888	1.6
211.09711	4.9
217.12206	1.6
221.11682	1.1
229.08720	1.0
231.10228	1.7
235.13350	4.4
249.11314	6.5
250.11847	1.6
251.12999	1.3
261.11234	1.7
279.12357	96.9
280.12723	8.3
291.07190	1.0
309.08215	1.8
321.13397	5.5
339.91861	1.0
419.70544	1.0
423.16589	21.5
424.16876	3.3
553.18951	1.2
571.20325	57.9
572.20496	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	567.2451
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
50.85896	0.8
57.03316	1.5
59.01249	24.7
61.98706	7.9
62.52882	0.8
66.47932	1.0
69.22149	2.3
69.22550	7.6
71.01253	14.1
72.99184	3.2
73.02819	4.0
75.00747	1.0
83.01276	1.3
83.04897	1.7
85.02853	5.1
86.91716	1.1
87.00748	2.0
89.02316	11.8
93.03340	38.4
94.03634	0.9
95.01279	2.4
99.04394	1.2
101.02323	10.0
107.04899	1.9
108.02050	2.0
111.00717	1.1
113.02339	7.1
115.91972	3.3
116.92759	1.5
119.03411	3.7
121.02879	1.6
125.02354	1.0
133.02791	1.4
135.04419	3.0
136.01550	12.5
137.02348	86.8
138.02710	3.0
149.02348	2.6
149.04498	3.7
149.09621	1.9
151.03918	5.3
161.02341	1.6
161.04526	0.9
162.14734	1.1
165.03918	1.3
173.04463	2.0
175.04071	1.1
179.03427	53.2
180.03734	3.0
187.07675	1.2
191.05554	5.1
193.08662	1.4
195.06522	1.4
209.04520	8.5
219.02805	1.2
229.08574	2.2
239.05586	28.7
283.09976	1.2
299.07761	2.9
327.15869	1.2
343.11295	5.9
435.10651	1.3
435.22345	1.7
493.20923	2.8
507.22357	8.3
508.23080	1.3
567.24500	100.0
568.24896	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	569.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05534	0.5
52.78930	0.5
59.01247	2.8
61.98694	3.0
62.95867	0.5
69.76202	2.8
71.01252	1.4
73.02777	0.7
81.53279	0.6
83.77497	0.5
85.02824	0.8
87.00748	0.6
89.02333	1.3
89.14690	0.6
93.03345	1.7
95.01237	0.8
101.02316	1.5
108.02054	2.1
109.02821	0.7
109.99977	3.7
119.03464	0.7
121.02856	4.5
122.03629	2.3
123.00778	1.8
123.04423	2.2
125.02332	5.0
132.02072	0.6
133.02846	2.2
136.01566	9.0
136.62819	0.5
137.02310	2.1
137.99489	7.3
138.03093	2.9
139.00259	2.0
139.11725	0.6
148.01530	1.6
149.02345	12.3
149.04375	1.2
150.03134	15.3
151.00296	1.3
151.03917	25.8
152.04224	1.0
153.01840	100.0
154.02129	3.6
155.03452	0.6
160.89951	0.6
162.03119	0.6
163.03929	0.8
164.04718	6.4
165.01884	2.6
165.05482	20.0
166.02603	3.4
168.04190	39.8
169.04782	2.3
169.06371	0.5
171.10179	3.8
179.03397	3.9
179.07056	0.5
180.04227	2.4
181.04979	12.8
182.05232	0.6
182.67982	0.6
191.03777	0.5
191.05531	3.2
193.01385	3.5
195.06557	17.2
196.06894	1.2
208.03723	2.5
223.06096	6.7
227.03371	0.9
241.07089	2.4
255.03011	1.1
256.03870	0.7
259.06302	0.9
270.05292	1.1
271.06088	1.7
273.07645	1.1
287.05588	1.8
299.05515	1.3
302.07901	3.4
303.08682	2.1
314.08078	1.3
315.08752	0.8
317.10287	36.2
318.10657	3.9
329.10220	2.4
333.09796	12.1
334.10309	1.4
347.11417	1.8
365.12390	31.4
366.12872	3.6
373.11337	0.6
397.13675	1.1
569.19025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03327	31.3
58.00450	2.9
59.01252	99.4
61.98711	7.4
69.18955	29.4
69.82548	2.6
71.01253	38.2
72.99208	3.7
73.02829	13.8
74.02350	4.8
76.02174	3.0
83.01263	6.5
85.02847	12.5
87.00774	10.1
89.02314	34.4
98.20554	7.1
99.00758	4.5
99.04405	12.2
101.02320	44.1
101.02943	4.8
101.28648	2.8
113.02316	15.9
119.03378	24.3
125.02340	12.1
150.03107	4.5
155.08183	5.4
156.25146	3.0
158.03650	6.7
161.02338	4.6
161.04442	10.4
172.05237	9.5
173.06027	10.1
173.09694	5.0
174.06726	5.6
175.07600	4.6
179.03436	4.8
179.05537	9.5
183.07666	5.8
186.06790	7.9
187.03955	11.0
187.07562	17.1
191.05655	3.2
195.12808	2.7
200.04755	11.4
201.05507	36.5
201.09135	20.3
202.06276	32.5
203.07018	10.7
211.07491	3.4
214.06340	4.1
215.06909	4.5
227.06816	22.6
229.08655	100.0
230.09395	84.3
231.09929	10.7
246.08788	3.3
247.09799	7.1
257.12308	2.9
261.05490	22.9
262.05771	3.6
291.15289	3.1
291.18115	13.9
327.15988	3.4
389.13852	2.9
405.21329	14.0
409.15073	41.5
410.15665	24.9
411.16461	2.9
423.16983	5.7
423.22357	72.3
424.22778	9.6
465.23123	4.2
480.64423	2.9
507.22150	8.6
507.35361	10.7
567.26459	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	567.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.0
58.00463	1.6
59.01252	59.6
69.54239	4.6
69.54664	4.2
71.01254	41.5
72.99178	2.4
73.02816	5.6
75.00748	1.8
81.03312	1.5
83.01261	4.1
85.02824	10.9
87.00747	3.4
89.02316	41.6
93.03320	6.9
95.01250	3.2
98.19754	1.2
99.00783	2.0
99.50029	1.2
101.02325	24.6
109.02847	1.5
113.02325	15.2
119.03383	18.5
121.02856	4.7
122.03619	15.5
123.04421	2.1
125.02328	3.1
131.03368	1.3
133.02835	3.8
134.03621	1.3
135.04495	1.8
136.01532	1.2
137.02351	1.9
139.11247	1.3
143.03409	5.5
147.04437	1.4
149.02342	44.7
149.04459	4.7
150.03133	100.0
151.03563	5.4
153.05492	1.1
159.02957	1.1
159.04324	1.4
161.02443	3.1
161.04486	9.4
162.03122	2.1
163.03912	1.4
163.07576	1.8
164.04681	11.4
165.05484	90.9
166.05832	4.8
173.04639	1.4
173.05998	2.2
175.03902	2.2
179.03455	3.7
179.05530	15.0
180.04242	6.4
183.10255	2.3
187.03873	1.6
187.07533	5.4
191.05534	8.1
191.07082	1.7
193.08702	1.3
194.05769	1.8
195.06560	75.3
196.06915	4.1
202.06305	5.8
209.08133	8.4
209.11792	1.3
216.07863	1.3
225.11456	1.2
227.12833	3.4
231.10188	11.8
243.12372	5.4
247.09764	1.9
287.15082	5.0
313.10815	1.4
316.44943	1.2
342.11133	5.3
345.09857	1.9
357.13419	71.0
358.13754	7.4
376.85251	1.3
405.15472	6.3
411.16611	28.2
412.16779	2.3
435.18259	2.5
471.39569	1.2
487.14001	1.4
519.18585	2.0
567.21063	19.1
568.21906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.6
61.98704	11.0
67.56290	0.5
69.24486	4.9
71.01249	2.2
84.02035	1.0
85.02809	1.9
87.00753	1.8
89.02296	0.8
93.03327	1.0
95.01260	0.8
98.20585	1.0
101.02314	1.2
103.20872	0.7
108.02069	0.9
109.02853	2.7
111.00700	0.6
111.04372	0.5
121.02834	2.3
122.03647	1.1
122.99970	0.7
123.00745	3.1
123.04370	1.3
124.01530	1.7
125.02338	1.2
133.02820	1.5
134.03532	0.8
135.04399	1.6
136.01558	51.2
137.02393	9.0
139.00262	0.7
139.03891	2.2
145.02788	0.8
146.03629	0.8
147.04419	0.6
149.02313	1.4
149.04411	0.9
149.05978	0.8
151.00304	9.9
151.03914	63.7
152.00999	1.8
152.04221	3.1
153.01773	0.6
159.04388	1.4
160.05193	1.6
161.02347	5.8
161.06041	0.9
162.03067	1.2
163.03944	1.6
165.01833	0.8
166.02625	35.4
167.03394	3.0
169.72234	0.5
172.05226	1.6
173.02310	1.7
173.05920	0.6
174.03088	1.5
175.03912	3.2
175.07512	1.2
176.04674	0.8
177.01874	2.9
177.05499	1.3
178.02750	0.5
179.03397	1.6
181.04979	42.3
182.05338	2.1
184.03651	1.3
186.06770	0.7
187.03931	0.5
187.07535	0.9
188.04581	0.8
189.05531	4.6
190.06256	3.0
191.03418	3.7
191.05324	0.9
191.06969	0.6
192.03943	0.6
193.04904	1.0
195.02887	1.0
203.03407	1.1
203.06967	0.6
205.04993	3.6
205.08632	2.0
206.05797	4.7
207.06523	0.7
209.11743	1.3
211.13330	1.1
220.07402	1.4
221.08128	10.4
229.08614	1.4
230.09492	1.2
233.08095	0.8
238.06352	0.7
266.05798	0.8
277.05203	0.7
281.07669	0.5
282.05368	1.0
293.04449	0.7
294.05334	1.3
296.06924	0.8
297.07568	2.0
299.09256	0.9
309.07739	3.7
312.06348	1.2
324.10043	1.9
327.08914	3.0
327.12167	1.0
329.10248	2.9
341.13950	0.5
342.11111	8.6
343.11737	1.6
357.09644	12.9
357.13446	48.0
358.10052	1.3
358.13788	5.3
369.13248	3.8
370.13232	0.6
371.15015	2.3
372.12045	8.1
373.12833	2.3
380.58295	0.6
383.14819	0.7
387.14478	100.0
388.10013	1.2
388.14810	13.1
401.16016	1.0
409.21170	0.8
416.46600	0.7
436.22430	1.2
537.21399	3.9
538.21375	0.7
554.47137	0.5
567.22479	5.6
568.22925	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49515	0.5
57.03320	1.3
58.00474	0.8
59.01249	25.7
61.98703	2.4
70.62749	1.4
71.01254	21.2
72.01585	0.7
72.99187	2.0
73.02792	2.5
75.00748	1.3
81.03316	0.5
83.01246	1.0
85.02821	5.0
87.00764	1.7
88.10711	0.5
89.02319	25.5
93.03339	4.4
95.01254	0.9
96.95880	1.1
97.02823	0.6
99.00759	1.0
99.04382	0.6
101.02325	11.0
109.02849	0.6
111.04401	0.4
111.08060	1.0
113.02332	8.1
117.05460	0.7
119.03394	10.2
119.04243	0.6
121.02840	4.8
122.03634	10.9
123.00700	0.4
123.04449	0.9
124.01537	0.7
124.95734	0.4
125.02368	1.3
129.01877	0.5
131.03384	1.7
133.02859	2.0
134.03581	1.0
135.04385	1.8
136.01559	1.5
137.02290	1.0
137.05951	0.4
138.03168	0.5
139.11201	0.8
141.01793	0.5
143.03407	2.4
149.02350	20.6
149.04242	2.4
150.03130	87.2
151.03464	3.9
153.05507	0.6
161.02341	1.1
161.04468	4.4
164.04691	5.5
165.05479	100.0
166.05836	4.5
173.04480	1.1
173.08102	0.6
177.05421	0.5
178.02696	0.6
179.00076	1.5
179.03445	1.5
179.05522	6.7
180.04213	7.4
183.10123	0.6
191.05557	3.3
193.04970	1.0
194.05415	0.6
195.06557	83.3
196.06909	4.2
196.71936	0.4
209.08154	4.9
210.08525	0.6
215.34874	0.4
243.12361	1.5
257.69943	0.4
300.46997	0.5
342.11264	0.8
349.87793	0.5
357.13437	9.1
358.13739	0.8
405.15463	1.9
411.16718	0.9
435.17331	0.8
435.23257	2.9
507.22797	0.5
519.18292	0.7
567.20953	5.6
568.21429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
58.02851	9.0
59.01249	28.4
60.50943	0.9
61.98690	3.7
66.03375	1.0
69.21425	6.1
69.21850	3.8
70.02863	1.1
71.01246	8.9
73.02802	1.5
74.02348	17.4
82.02862	4.9
83.01238	3.6
85.02809	2.3
87.00764	1.3
87.05518	8.4
89.02307	4.9
96.04430	9.8
97.03956	9.2
98.02341	4.5
99.05522	12.2
100.00295	1.9
101.02322	8.3
105.45901	1.0
108.04424	7.9
109.03945	2.4
110.02346	2.3
112.03924	10.7
112.07569	9.1
113.03467	6.1
116.01611	1.2
119.03380	4.5
122.05997	3.0
124.03957	6.8
125.03471	2.3
125.04697	2.9
126.04289	1.1
126.05492	3.0
127.05014	9.6
131.04483	1.0
137.07108	5.3
138.05534	1.3
140.07089	12.7
142.03212	1.3
143.04529	3.4
150.04218	1.2
152.03438	4.5
153.06499	1.3
155.08170	19.8
160.00694	1.6
161.02287	2.5
165.06595	18.2
166.04959	1.4
172.05255	1.7
173.05957	3.6
177.03313	2.0
179.05486	1.7
181.06110	1.6
183.07675	35.2
186.06635	1.3
187.03902	3.3
187.07573	5.0
200.04698	3.8
201.05467	7.6
201.09096	5.2
202.06239	6.5
203.07063	1.6
209.05629	1.3
209.11699	1.4
214.06227	1.7
215.06683	3.4
225.05215	1.4
227.06686	73.7
228.07123	3.1
229.08656	18.9
230.09416	14.7
247.09601	2.4
261.05487	100.0
262.05734	5.2
343.12830	1.6
343.62936	1.3
409.14877	8.7
410.15665	4.9
423.22363	2.3
459.75629	0.9
507.34921	1.4
527.83423	1.1
558.34875	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	567.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
56.37382	0.6
57.03316	1.0
57.97406	0.6
58.00467	1.0
58.02847	8.0
59.01249	25.8
61.98698	11.7
69.21472	4.9
69.21896	2.1
70.02831	1.0
71.01252	9.6
72.00800	0.9
72.04401	0.9
72.99172	1.1
73.02815	3.2
74.02338	14.6
80.04932	1.3
81.03335	0.8
82.02853	3.0
83.01250	4.6
83.04892	0.9
84.93970	0.6
85.02811	2.3
85.03951	1.4
86.02367	0.8
86.05994	1.7
87.00734	1.4
87.05514	6.4
87.67562	0.7
89.02317	8.4
90.00061	1.4
93.03380	1.0
95.01267	0.8
96.04440	7.8
97.03949	8.4
98.02342	4.2
99.04440	1.4
99.05518	11.2
100.00272	1.9
100.03946	0.7
101.02327	9.3
108.04418	6.1
109.02817	1.0
109.03948	2.9
110.02363	2.3
110.05990	0.9
111.04369	0.8
112.03925	8.0
112.07571	7.7
113.02323	3.6
113.03459	5.3
114.05538	0.8
116.01667	1.4
119.03391	5.8
122.06025	2.5
123.04413	0.9
124.03934	6.3
125.03459	1.9
125.04700	4.1
126.04238	1.0
126.05498	2.3
127.05018	8.8
127.08652	1.2
131.04523	0.7
134.03589	1.4
135.04410	1.3
135.05428	0.7
137.07108	4.6
138.05486	1.7
139.08618	0.7
139.61092	0.7
140.07071	11.9
142.03223	1.5
143.03511	1.1
143.04453	3.1
147.04468	0.8
149.04553	0.8
150.03163	0.8
150.04268	1.2
151.03885	0.8
152.03427	4.7
155.08163	23.3
158.03650	1.4
158.07318	0.8
159.04424	1.0
159.08156	0.9
160.00574	1.2
161.02354	2.0
161.04489	0.8
165.06599	16.2
166.05013	1.7
166.06906	1.2
168.75198	0.7
169.06116	1.1
172.05238	2.6
173.04538	0.9
173.05949	2.2
173.09680	1.3
174.03136	1.0
174.06776	1.2
175.03897	1.3
175.07495	1.8
176.08345	0.9
177.03287	1.7
179.03436	0.8
179.05525	1.0
181.06075	1.1
183.07669	34.2
184.07996	1.2
185.05983	1.2
186.02144	1.2
186.06796	1.1
187.03914	2.7
187.07558	3.7
191.05571	1.4
197.05573	0.9
199.07506	0.7
200.04626	2.2
201.05493	10.2
201.09119	3.5
202.06256	8.4
203.07028	4.0
204.07724	0.8
209.05475	0.7
209.11781	0.8
211.07533	1.1
211.13348	1.9
215.06821	3.5
225.05109	2.2
227.06686	81.2
228.06970	4.3
229.08662	25.2
230.09410	19.4
231.10068	1.4
247.09702	1.9
257.08337	0.8
261.05481	100.0
262.05746	5.9
327.15829	1.1
409.15067	9.4
410.15665	5.1
423.22543	0.9
435.27264	1.2
507.22589	1.5
507.35132	4.8
567.24384	1.3
567.33051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31092	0.3
55.01765	1.5
57.03325	7.7
58.00474	0.6
59.01251	100.0
60.01587	1.4
60.99149	0.3
61.98707	4.1
66.91361	0.3
67.00095	0.3
69.03332	1.5
69.27180	0.8
69.27591	2.6
71.01251	20.2
71.04895	0.9
71.24840	0.3
72.99195	1.5
72.99548	0.3
73.02821	6.1
73.03200	0.5
73.13924	0.3
75.00740	0.3
78.95766	0.6
81.03343	0.6
83.01259	6.0
83.04902	0.4
85.02823	11.9
85.06477	1.2
85.76054	0.3
85.99978	0.4
86.03174	0.4
87.00742	2.4
87.04396	0.6
89.02316	3.2
93.03337	1.3
95.01280	3.1
96.01612	0.3
96.95892	1.2
97.02839	1.3
99.00748	3.2
101.02324	13.8
102.02658	0.5
111.00748	1.7
111.04407	0.5
112.01534	1.1
113.02331	10.3
118.87550	0.3
119.03379	0.8
121.02866	0.3
124.01555	0.7
125.02333	2.2
125.09612	0.7
125.41961	0.3
129.01840	0.7
133.02870	0.7
135.04391	1.5
137.02386	0.6
137.09639	0.4
137.59680	0.3
139.11172	0.8
143.03366	2.1
147.04422	0.4
149.04439	1.7
155.10712	1.2
157.12256	2.1
159.02917	1.2
161.02374	1.0
161.04462	2.9
161.05771	0.5
163.03897	0.4
173.04498	1.6
173.11774	1.6
174.03267	0.3
174.04810	0.4
175.03937	0.7
179.03470	0.9
185.06061	0.5
185.15375	0.8
187.07611	0.7
189.05519	0.6
191.05544	3.3
192.05882	0.4
203.06981	0.3
205.54556	0.3
209.15468	0.8
211.13309	1.7
227.16417	0.5
229.18066	2.9
230.18314	0.4
245.08167	0.5
245.13828	0.4
246.08691	0.4
271.15552	2.5
315.25388	2.2
343.28491	1.6
359.27908	0.7
361.29568	18.2
362.29944	1.8
403.19818	0.4
433.24341	2.3
457.31793	1.4
469.31790	0.5
475.32828	1.4
476.32706	0.4
487.32501	0.4
505.33804	95.2
506.34134	13.9
523.34857	37.6
523.43121	0.8
524.35272	5.5
565.16803	0.4
565.28314	0.4
565.35944	4.6
566.36218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42895	0.3
54.81906	0.3
55.01762	1.8
57.03324	4.5
57.81808	0.3
58.00473	0.6
59.01253	100.0
60.01592	1.5
60.99178	0.4
61.98708	1.0
64.75748	0.4
67.01762	0.6
69.03320	1.9
69.69702	1.6
69.70109	0.8
71.01255	22.0
71.04879	0.5
72.01608	0.4
72.99191	1.6
73.02822	6.7
75.00771	0.7
75.73886	0.3
81.03338	1.0
83.01262	6.6
83.04907	0.7
85.02824	14.5
85.30514	0.3
86.00008	0.4
86.03156	0.4
87.00760	8.3
89.02330	2.1
93.03333	4.5
95.01261	2.5
97.02822	1.8
97.06490	0.6
98.19843	0.4
99.00760	3.0
101.02327	12.8
109.02869	0.7
111.00748	2.5
111.04414	1.6
111.08052	1.0
112.01576	1.3
113.02331	8.5
113.09609	0.4
115.03918	0.7
119.03420	0.8
124.01546	0.9
125.02364	2.3
127.03893	0.7
127.11192	2.0
129.01857	0.7
132.25888	0.4
133.02896	0.6
135.04396	0.7
137.02344	0.4
137.09625	2.6
143.03389	1.6
147.04407	0.5
149.04457	0.4
149.09642	0.4
153.12785	1.4
154.66690	0.4
155.03419	1.0
155.10724	4.4
157.12262	2.6
159.02936	1.7
159.04337	0.5
160.01579	0.7
161.02341	0.8
161.04469	2.5
165.01985	0.5
171.13763	0.5
173.04480	8.9
174.04854	0.7
174.06502	0.4
175.03922	1.1
175.07518	0.5
179.03337	0.5
183.13701	0.4
186.06842	1.8
187.07584	1.1
191.05556	13.7
192.05882	0.4
200.04515	0.4
201.05525	0.5
201.09097	0.8
201.14900	5.1
203.07010	0.5
204.07889	0.4
214.06345	2.9
215.07043	2.2
229.08678	1.9
229.14490	0.9
229.18018	0.5
230.09334	0.8
230.15184	3.1
232.07518	0.5
247.09630	0.7
248.10455	0.5
262.14099	0.4
271.02499	2.4
271.22885	0.5
283.13492	0.6
299.01971	4.7
301.16632	0.5
311.12842	0.9
313.24142	0.5
314.04367	3.4
315.05115	2.0
327.16049	1.0
329.19565	0.4
334.77014	0.4
335.17056	0.5
341.26996	1.2
345.16925	0.7
353.14078	0.6
357.26431	1.0
359.28052	14.7
360.28168	1.8
371.14963	2.9
372.14987	0.6
383.27777	0.4
389.15988	2.6
391.23419	0.7
413.29269	0.7
421.95865	0.4
429.28726	0.5
433.27954	1.8
437.28888	0.4
455.30133	1.4
467.29825	0.9
473.31058	1.0
485.31192	1.4
503.32269	89.2
504.32568	15.0
504.39975	0.7
519.11475	2.9
520.11224	0.6
521.33307	35.8
522.33606	6.8
545.20282	1.0
545.33234	2.4
546.33820	0.4
563.21136	2.5
563.34418	2.0
564.21173	0.8
564.35510	0.4
578.00122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.5
57.03325	4.9
58.00474	0.7
59.01250	100.0
60.01585	1.1
61.98697	0.7
65.06211	0.4
67.01762	0.8
69.03321	1.3
70.63849	0.7
70.64209	0.9
71.01253	24.3
71.04875	0.8
72.01602	0.5
72.99178	1.0
73.02815	8.1
75.00750	0.7
80.06104	0.3
81.03345	0.6
82.17035	0.3
83.01254	6.0
83.04894	0.8
85.02823	15.2
85.99982	0.3
86.03191	0.5
87.00746	9.0
87.04410	0.5
88.05347	0.3
89.02327	3.8
93.03333	5.6
93.06975	3.5
94.03654	0.4
95.01255	3.0
96.95919	0.4
97.02836	1.9
97.06474	1.4
99.00755	3.8
99.04371	0.5
101.02322	18.6
109.02835	0.8
111.00780	1.6
111.04395	1.7
111.08047	0.7
112.01595	0.5
113.02328	14.4
114.02666	0.5
119.03391	1.3
124.01544	0.4
125.02346	2.6
127.03904	0.5
129.01848	0.7
133.02818	0.5
134.03621	0.4
135.04391	0.5
137.02332	0.4
143.03410	2.7
147.04457	0.5
149.04431	0.6
155.03351	1.0
159.02914	2.3
159.04160	0.5
161.02409	0.5
161.04474	9.7
161.05835	0.5
169.12279	1.4
171.10182	0.7
172.05125	0.7
173.04466	10.2
173.05847	0.5
174.03130	0.5
174.04704	0.4
174.06660	0.4
175.03928	0.7
175.07600	0.6
179.03423	0.4
181.15910	2.5
186.06769	1.3
187.03954	0.4
187.07568	0.9
191.05536	20.5
192.05936	1.4
197.15408	5.5
198.15816	0.4
201.05473	0.6
201.09155	0.9
203.07256	0.8
204.07755	0.5
211.13300	0.4
211.16968	1.1
214.06308	1.9
215.07111	1.6
225.09048	0.6
226.09796	0.6
229.08633	1.4
229.14491	0.5
229.18053	10.0
230.09315	0.7
230.18416	0.7
239.11017	0.4
243.19545	0.6
247.09459	0.4
253.09137	1.5
254.09483	0.9
255.10146	0.6
255.13939	1.0
283.10077	0.5
283.13193	2.6
284.13870	0.6
297.24384	0.5
298.12158	0.6
301.14285	0.5
309.14920	1.1
311.13013	2.1
323.25864	0.5
327.12451	0.6
327.16006	4.5
327.21820	3.3
327.25485	0.5
329.14008	0.5
329.27090	0.5
341.26926	2.0
345.17044	1.0
353.13895	2.4
354.14105	0.6
359.27954	6.6
360.28397	0.8
371.15009	7.4
372.15143	0.9
373.22171	5.4
373.25934	0.5
374.22516	0.8
383.27716	0.4
389.16040	3.0
390.16327	0.5
391.23334	7.9
392.23553	0.7
405.24918	0.6
423.58624	0.4
443.30334	0.5
455.29913	0.9
467.30185	0.5
473.31039	0.9
485.31168	1.9
503.32257	63.4
504.32581	10.8
521.33289	28.9
522.33563	4.9
539.79779	0.4
545.20422	2.5
563.21295	3.2
563.34564	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88535	1.0
54.05182	1.2
56.16312	1.0
58.00459	3.8
59.01253	100.0
60.00498	1.0
60.01566	1.1
61.82940	1.2
61.98687	2.0
67.39959	1.0
69.85552	5.8
71.01257	57.1
72.99177	6.4
73.02813	3.3
83.01225	1.3
85.02830	9.1
87.00751	6.0
89.02321	88.1
93.03318	1.9
94.39990	1.1
95.01262	2.8
96.95885	6.0
98.98981	1.7
99.00800	1.2
101.02328	27.5
111.04379	1.5
113.02336	22.4
115.00275	1.3
116.04208	1.1
119.03395	31.6
125.02337	1.6
131.03394	5.1
142.97935	2.9
143.03403	9.4
149.04454	7.6
160.98993	1.9
161.02348	1.3
161.04463	10.8
164.04622	1.6
173.04411	5.4
175.02397	2.1
179.05548	57.2
179.07034	2.1
180.05759	1.9
191.05566	15.9
199.84622	1.2
239.07555	1.6
281.04510	1.2
283.70364	1.1
309.04382	1.1
339.43652	1.1
345.16974	1.5
371.15256	1.5
410.14249	1.4
523.51056	1.2
563.19122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
57.03320	4.0
58.00461	0.7
59.01250	100.0
60.01182	0.3
60.01590	1.2
61.98694	0.7
67.01767	0.7
68.99678	0.3
69.03333	1.5
71.01254	18.3
71.04885	0.5
72.01593	0.4
72.99178	0.9
73.02822	6.3
75.00761	0.5
81.03349	0.6
83.01259	5.8
83.04893	0.4
85.02821	11.7
87.00751	3.9
89.02315	3.4
92.11611	0.3
93.03339	2.7
93.06966	3.6
95.01265	1.8
97.02850	1.2
99.00751	3.1
101.02324	14.8
102.02660	0.3
111.00768	2.0
111.04414	0.7
111.08025	0.6
112.01574	0.7
113.02328	9.6
119.03389	1.1
124.01568	0.4
125.02328	1.4
125.17639	0.3
129.01857	0.3
131.03395	0.6
133.02858	0.3
136.01541	0.3
141.01813	0.4
143.03378	2.2
143.10683	1.2
149.04457	1.1
155.03435	0.7
159.02919	1.9
159.04047	0.3
161.02419	0.4
161.04472	6.6
161.05840	0.4
161.13353	0.4
168.73918	0.3
173.04446	5.5
173.05836	0.4
187.07541	0.5
191.05547	11.0
192.05901	0.4
201.05531	0.4
211.07468	0.4
211.16998	0.4
215.06990	0.4
225.09230	0.4
229.08589	0.5
229.18033	8.0
230.18222	0.7
239.07143	0.5
253.08926	0.3
255.13832	0.4
265.12320	0.4
283.13452	1.2
305.16159	0.5
309.14841	0.4
311.12878	1.3
327.15903	2.1
329.26999	0.4
341.26886	0.8
345.17178	1.1
353.13965	1.5
354.14304	0.3
357.13623	0.4
359.13992	0.4
359.27954	3.2
371.14993	2.8
372.15814	0.3
373.22318	9.6
373.26218	0.4
374.22629	1.0
383.15067	1.9
389.16272	1.4
391.23364	15.0
392.23663	1.4
431.22751	0.6
452.30164	0.4
455.30142	0.5
467.29895	0.4
473.30817	0.7
485.31149	1.5
503.32266	58.4
504.26898	0.2
504.32553	9.8
521.33301	23.8
522.33636	3.8
545.20471	0.7
563.20770	1.7
563.34387	1.3
564.21710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45931	0.9
55.42283	0.8
57.03313	5.0
58.00455	1.0
59.01253	70.8
60.99166	1.4
61.98704	6.3
65.43109	0.9
67.01746	3.4
69.03316	2.5
71.01254	20.4
71.50488	1.4
72.99162	2.4
73.02811	5.9
74.03142	0.8
75.40459	0.8
81.03307	2.1
83.01256	3.1
83.04890	3.2
84.90687	0.8
85.02821	16.7
87.00753	30.5
89.02322	14.0
93.03334	28.6
93.03925	1.6
93.06985	1.6
93.80061	0.8
94.03650	0.9
95.01260	1.9
96.95881	0.9
97.02818	2.1
97.06451	1.3
99.00757	5.9
99.04430	1.1
101.02325	13.1
109.02831	1.0
111.00720	2.1
111.04403	7.9
113.02353	7.7
114.02697	1.1
119.03381	1.2
119.04924	0.8
123.04392	2.2
124.01524	1.0
125.02372	1.7
127.03879	2.5
129.01810	1.8
131.03375	2.8
133.02859	2.1
135.04411	2.6
137.02325	3.1
137.36981	0.9
140.25923	0.8
143.03407	1.6
147.04408	1.2
149.04468	12.4
151.03877	1.1
155.03387	7.8
156.03529	0.9
159.02898	1.0
161.02289	2.2
161.04433	3.5
161.05682	1.0
162.03119	1.0
165.05392	0.9
173.04480	53.5
173.05875	2.1
174.04817	3.0
175.03819	1.3
175.07564	1.2
177.01855	1.1
179.03471	1.0
181.12128	0.8
182.03650	0.9
183.04436	0.9
186.06747	2.5
187.03957	1.5
187.07510	3.2
187.09030	0.8
189.05498	1.0
191.05542	100.0
192.05954	4.0
197.05988	1.8
199.07520	1.8
200.04724	1.6
201.05505	3.0
201.09097	1.5
202.06084	1.0
203.07115	1.3
204.07741	0.9
211.07555	4.6
213.05452	1.2
214.06413	3.8
215.07022	4.9
217.08572	1.0
221.06462	0.9
224.08337	1.5
225.09135	5.1
225.11130	1.3
226.06186	1.2
226.09819	2.9
227.07089	1.3
227.10632	1.9
228.07927	1.4
229.08633	4.1
229.18002	3.5
230.09274	1.3
231.10236	0.8
233.06450	1.2
237.09314	0.9
239.06967	2.5
239.10725	3.5
240.07733	1.1
248.10550	0.9
253.08658	2.8
254.09476	5.7
255.10146	3.0
255.13878	4.2
257.11798	1.3
265.12341	2.0
267.10178	2.2
269.11627	1.1
270.12607	1.5
271.13306	1.0
273.15039	1.2
281.08289	1.0
281.15454	1.1
282.09232	0.9
283.13379	18.7
284.13788	2.7
298.12012	2.8
299.12775	1.3
299.16373	1.7
301.14453	1.5
309.14816	4.5
311.09497	1.3
311.12854	15.2
312.13266	1.4
325.14368	0.9
327.12323	3.5
327.15945	22.8
328.16248	2.8
329.13538	1.2
344.37698	1.0
345.17065	7.1
346.17340	1.0
353.13925	15.8
354.14182	1.9
359.28128	1.5
371.14990	36.0
372.15237	5.1
373.22195	3.1
373.26279	1.5
389.16055	9.2
390.16339	1.6
391.23447	4.9
431.22656	2.2
503.25037	2.2
503.32272	27.6
504.32437	3.2
507.22476	0.9
521.33307	9.5
545.20428	11.5
546.20428	1.4
563.20825	11.2
564.21051	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97906	3.8
57.03362	3.3
59.01254	52.7
61.98695	9.5
71.01249	22.5
71.49548	4.4
72.99191	3.8
73.02848	6.5
74.74714	3.0
75.00741	5.2
83.01254	4.3
85.02816	14.3
87.00772	8.5
88.98734	3.3
89.02325	30.2
93.03345	13.7
96.95913	8.5
98.98961	4.8
99.00760	9.8
101.02302	14.4
105.21180	2.7
113.02342	9.3
119.03383	4.6
124.38866	2.7
125.02314	7.4
129.01802	3.4
135.04433	5.7
142.98016	6.4
149.04463	18.9
151.00316	2.8
160.99091	8.2
161.02344	5.5
164.04724	88.3
165.05043	5.3
173.04472	13.5
179.03558	3.4
179.05499	5.7
179.07072	100.0
180.07500	4.9
185.44444	2.9
187.07782	3.0
191.05557	50.7
192.05875	3.6
194.01131	2.9
327.12396	3.5
327.15939	4.5
341.12439	44.6
342.12808	3.9
371.14694	3.1
436.25012	2.9
563.18329	9.3
563.27313	6.3
564.16986	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	563.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01252	25.8
65.30257	0.6
66.36478	0.7
71.01248	5.9
73.02817	1.8
75.73409	0.6
78.95766	1.0
83.01248	0.9
85.02826	1.9
89.02311	4.0
93.03362	0.8
96.95891	13.8
96.96854	1.9
101.02319	2.8
108.02041	2.3
113.02316	2.0
119.03445	0.9
119.04906	1.7
121.02876	1.4
123.04410	3.4
124.01532	0.9
125.02363	1.2
134.03629	2.2
135.04425	10.9
136.05203	7.2
149.04489	2.2
149.05930	0.7
150.03139	1.0
151.03947	3.4
151.07520	6.3
173.04500	1.2
177.05484	0.9
191.05563	2.2
195.06564	59.3
196.06921	2.6
207.38400	0.8
251.08853	0.8
269.10242	3.5
293.04721	0.9
395.37692	0.7
431.15570	100.0
432.15939	11.1
505.68103	0.8
563.19769	15.9
563.28528	0.9
564.20135	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	563.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27488	4.1
59.01258	32.6
62.78031	3.8
65.14687	4.1
69.61366	11.2
69.61786	16.7
71.01243	19.9
73.02820	19.9
85.69815	3.7
87.16794	4.2
89.02317	13.3
90.29595	4.5
96.95887	7.9
101.02312	23.0
119.03381	13.2
135.04410	77.9
139.18852	4.3
156.52606	4.5
195.06609	6.9
219.98122	5.1
224.03133	4.7
231.79198	4.8
315.10941	46.6
357.11948	100.0
358.12265	11.1
431.15421	8.7
465.76309	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03719	0.3
58.47548	0.3
59.01248	2.7
61.92231	0.3
62.59485	0.3
69.27538	2.9
73.02821	0.6
77.24548	0.3
85.02835	0.5
87.00768	1.0
89.02307	0.9
93.03329	1.4
99.04374	0.3
101.02335	1.0
107.01260	1.2
107.88816	0.3
109.02854	0.5
119.52124	0.4
125.02325	0.4
131.03323	0.3
132.02071	1.0
133.02841	0.8
135.00768	1.2
135.04414	0.7
143.04907	0.4
149.04414	0.6
151.00258	1.8
155.03406	0.4
159.04414	0.8
161.02307	1.6
163.00298	0.9
164.01039	0.5
167.04793	0.4
173.04526	1.2
175.07513	0.4
178.99783	1.1
183.04422	1.0
185.06024	0.5
187.03883	1.0
189.05568	0.6
191.05568	2.7
192.05759	0.3
199.03967	0.6
202.25577	0.4
211.03935	1.4
227.03453	32.9
228.03833	2.5
229.05029	3.1
239.03526	0.9
240.04047	0.6
255.02965	66.7
256.03455	8.1
257.04453	2.9
269.13885	1.1
283.02551	0.8
283.13345	0.7
284.03253	100.0
285.03934	30.4
285.12857	0.4
286.04437	1.8
311.12836	0.6
327.16394	0.4
329.13989	1.1
338.01120	0.5
371.14999	0.7
399.07306	0.9
475.06967	0.4
563.14056	73.8
564.05463	0.8
564.14349	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	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00962	1.7
59.01252	22.8
62.87881	1.1
67.39904	1.1
68.47482	1.0
69.55934	9.2
71.01257	11.4
73.02817	15.6
73.77542	1.2
77.14838	1.0
83.01245	2.7
89.02316	7.9
101.02331	15.6
113.02296	2.3
119.03415	6.2
135.04411	57.3
136.04724	1.3
143.03467	1.1
144.03778	1.1
147.48210	1.2
153.05450	1.6
180.87709	1.3
195.06514	1.3
196.63930	1.3
271.96790	1.2
315.10867	28.3
316.11075	2.1
339.25082	1.3
357.11890	100.0
358.12338	8.0
431.15424	1.3
477.16302	1.8
519.17175	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.5
59.88577	0.4
61.98695	2.7
62.29306	0.5
71.01242	0.8
78.95773	10.1
83.04856	0.5
93.03343	0.5
94.77660	0.5
98.20567	1.3
108.77004	0.5
111.04414	0.7
118.20627	0.5
118.77137	0.6
133.02855	0.6
140.01103	3.0
152.99484	1.2
155.14334	0.6
165.12750	1.3
171.10172	1.4
173.04501	0.7
178.02643	0.6
181.12256	1.4
191.05513	2.4
196.03687	2.0
199.13322	21.5
200.13647	0.9
214.04791	4.1
263.19955	0.8
279.19684	4.0
347.25864	5.8
348.26419	0.5
363.25458	0.6
365.26944	100.0
366.27286	12.5
526.50702	0.5
562.31525	20.1
563.32074	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	563.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54499	1.4
54.57447	1.3
55.01732	1.9
55.27126	1.5
57.03328	3.6
59.01249	82.5
61.98689	1.7
65.00204	1.5
67.01744	2.7
69.03326	1.9
69.34451	9.4
69.34871	4.2
71.01251	18.9
72.99175	3.0
73.02814	8.3
83.01242	4.6
83.04902	1.5
84.58659	1.4
85.02818	14.4
87.00754	36.3
89.02311	4.1
93.03339	20.5
95.01299	1.9
97.06494	1.8
99.00676	2.2
101.02322	13.2
105.31847	1.4
107.01306	1.7
109.02840	2.4
111.00764	2.2
111.04381	4.8
112.03809	1.3
113.02287	8.4
119.03417	1.7
121.02854	2.3
127.03939	1.8
129.01823	2.1
133.02908	1.7
137.02304	2.1
147.04407	3.1
149.04480	1.5
151.00307	2.0
155.03355	5.7
155.10593	1.5
159.04407	2.2
161.02383	1.5
161.04492	5.0
165.01852	11.7
173.04477	48.7
173.05823	2.2
175.03790	1.9
175.07550	1.6
177.01932	2.3
186.06761	7.5
187.07568	5.8
191.05536	56.1
192.05937	2.5
193.01346	2.8
199.03938	2.6
200.04662	2.0
201.05534	3.5
201.09198	3.5
201.14780	2.0
203.07004	3.0
214.06313	18.4
215.03500	2.0
215.07068	7.3
226.02682	1.7
229.08623	8.1
230.09447	3.2
243.02965	5.6
247.09724	2.1
248.10466	2.5
255.03165	2.2
269.04547	2.0
271.02484	62.2
272.02881	4.9
274.08426	2.5
283.13449	2.6
287.05515	2.0
299.01953	100.0
300.02444	15.8
309.14630	1.9
311.12857	6.8
314.04315	91.0
315.05029	56.1
316.05405	4.8
327.15894	4.5
345.17096	4.0
353.14026	3.3
359.28024	6.8
371.14880	11.9
389.15982	13.3
390.16626	1.7
433.27899	5.0
477.10074	4.7
503.32257	63.9
519.11426	96.1
520.11792	15.7
521.33344	24.0
545.20135	8.6
563.21307	15.5
564.21393	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	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96268	0.6
57.03325	0.7
58.00475	2.1
59.01254	100.0
60.01583	1.1
69.36536	1.1
69.36948	3.1
71.01260	34.9
72.01579	0.7
72.99186	2.2
73.02834	1.3
85.02827	5.2
87.00768	2.3
89.02322	57.6
90.02657	0.8
93.03388	0.6
95.01287	2.0
96.95926	0.8
101.02330	17.6
105.03324	1.1
113.02345	14.7
119.03394	23.1
120.03730	0.5
125.02347	0.6
129.64876	0.5
129.73872	0.6
131.03409	3.4
133.02844	5.4
135.04428	1.2
143.03397	5.9
149.04448	3.7
151.00334	1.2
161.04477	5.7
173.04507	0.9
177.01875	5.4
179.05551	31.7
180.05917	1.0
182.31026	0.5
191.05626	0.9
223.13452	1.5
239.07643	0.5
240.58569	0.6
243.12427	0.6
267.12479	2.4
274.40930	0.5
429.17416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01246	2.6
67.01784	0.6
68.41359	0.3
70.99285	0.7
70.99624	0.5
71.01252	0.7
73.02824	0.7
83.01254	0.4
84.32153	0.3
85.02833	1.9
87.00777	0.9
89.02338	0.8
90.84595	0.3
93.03342	4.3
99.04405	0.8
101.02326	0.6
106.84512	0.3
108.02052	0.7
109.02860	0.6
111.04391	0.5
111.40525	0.3
113.02386	0.3
113.08369	0.3
115.41777	0.3
121.02845	4.5
122.03638	2.5
123.00794	0.5
123.04454	0.5
124.01576	0.7
131.03333	0.4
132.02020	0.5
133.02863	1.4
134.03641	1.0
135.04413	0.6
136.01567	65.8
137.02231	1.8
138.03102	0.4
149.04471	1.2
149.05937	0.4
151.03918	100.0
152.04256	3.9
159.04425	1.0
160.01558	0.9
160.05260	0.9
161.02368	2.1
162.03152	1.0
163.03943	1.3
173.04492	1.2
175.04010	0.6
175.07559	1.2
177.01836	0.6
177.05504	1.0
179.03415	1.0
187.03867	0.4
191.05537	13.9
192.05893	0.5
193.04985	0.4
203.07054	0.4
208.38875	0.3
215.05573	0.8
223.13429	0.6
238.37253	0.4
256.07272	0.4
257.97430	0.3
267.12433	0.4
309.08038	0.5
311.12881	0.9
339.12308	0.4
342.11084	4.6
351.07169	1.8
357.13431	84.5
358.13779	9.7
369.09729	2.6
411.07266	0.5
429.08441	0.8
444.27454	0.4
561.16382	0.5
570.94489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.0
58.00441	1.0
58.79808	0.9
59.01250	100.0
61.98691	1.7
69.62396	1.7
69.62801	5.8
71.01253	11.7
71.04875	2.0
73.02816	4.0
75.00751	1.1
83.01263	2.0
83.04901	3.1
84.47811	0.9
85.02832	4.9
87.00753	8.5
89.02311	11.3
90.83736	1.1
90.98472	2.6
93.03348	5.1
93.99033	1.1
95.01257	1.7
95.04917	1.7
96.95872	3.1
98.19843	2.0
99.04382	1.5
101.02315	7.2
105.03339	4.3
107.04906	3.2
111.04406	3.3
113.02328	6.4
119.03387	3.6
120.05650	1.4
121.02817	4.9
125.02307	1.7
131.03397	3.6
133.02832	23.8
134.03574	3.5
135.04416	11.0
136.01559	43.3
137.02249	4.0
149.02356	1.0
149.04459	8.0
151.03914	68.9
152.04263	1.7
155.03391	2.4
155.06412	0.8
159.04446	1.1
161.02347	2.6
161.04497	1.9
161.09619	7.9
161.13274	5.3
161.14407	0.9
163.11166	2.4
173.04463	11.5
177.01860	19.4
177.05406	1.0
178.02507	3.0
179.03395	5.1
187.11174	10.1
189.09140	3.8
191.05531	11.9
193.05049	1.6
195.06415	1.2
203.10779	1.2
205.12277	4.8
207.10095	4.8
209.08093	3.5
223.13333	48.8
224.13579	5.0
229.12257	1.1
249.11285	5.1
267.12360	95.9
268.12668	9.2
276.73859	1.0
291.12402	1.0
305.57336	1.0
309.13538	2.0
342.10974	2.4
357.13434	53.6
358.13794	7.9
381.15536	2.6
387.10562	7.6
387.14987	1.9
399.11398	1.0
399.16510	16.0
400.17099	1.2
429.17493	20.1
430.18219	1.3
441.17953	1.2
501.17813	2.1
561.22296	12.3
562.22186	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	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45148	0.9
57.03323	1.5
59.01250	24.4
61.98707	1.0
67.01762	1.0
68.78843	0.9
69.32912	8.0
70.17723	0.8
71.01256	6.8
73.02831	2.7
75.34583	0.8
77.03853	1.2
81.03345	1.3
83.01244	1.2
83.04902	1.5
84.02057	1.0
85.02840	3.7
87.00738	1.6
89.02315	5.3
93.03329	7.2
95.04916	3.9
96.95879	1.7
99.00755	1.0
99.04407	2.3
101.02312	5.0
103.89747	1.0
105.03346	10.8
107.01183	0.9
111.04409	3.1
113.02342	2.3
119.03382	1.2
119.04917	0.9
121.02854	4.5
122.03626	2.8
123.04405	1.9
125.02335	1.0
129.01819	1.0
131.03435	1.5
132.02135	1.1
133.02850	72.7
134.03580	3.8
135.04436	6.1
136.01561	71.6
137.02405	6.5
138.02780	0.8
147.39389	0.8
149.02299	0.9
149.04446	4.7
151.03915	100.0
152.04295	4.1
155.03419	3.4
159.04417	1.3
160.01582	0.9
160.05161	1.2
161.02312	2.7
161.04480	2.1
161.09618	1.4
161.13217	1.3
163.03931	2.3
173.04491	11.4
175.07555	2.2
177.01852	60.4
178.02560	8.6
179.03435	4.8
187.11172	2.1
189.05559	1.1
191.05556	11.9
198.42145	0.9
207.10120	1.3
209.08112	1.6
220.89743	1.0
223.13332	8.0
249.11389	1.6
267.12390	18.9
268.12915	1.0
342.11121	3.9
343.11865	1.2
351.07187	4.9
357.13425	88.3
358.13705	10.6
369.09735	1.6
387.10526	4.4
399.16336	2.1
429.17139	5.5
561.16101	3.6
561.23193	2.8
561.32379	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	561.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28441	0.4
57.03328	1.0
59.01246	7.5
60.99174	0.9
61.98709	0.4
67.01762	2.7
69.03328	0.8
69.47672	3.5
71.01252	3.7
72.99168	0.6
73.02811	1.3
77.03845	1.5
81.03330	1.0
82.50834	0.4
83.01255	1.0
83.04904	2.1
85.02814	5.0
87.00748	4.8
89.02316	1.9
89.03841	0.9
93.03334	20.4
94.03651	0.9
95.04899	4.3
96.95868	0.8
97.02852	0.7
99.00764	0.9
99.04407	0.8
101.02346	1.6
105.03339	13.7
109.02864	2.1
111.00755	0.6
111.04395	4.9
113.02334	1.3
121.02835	1.6
123.04404	1.9
125.02328	2.1
127.03889	1.7
129.01764	0.7
132.02061	1.2
133.02846	100.0
133.21524	0.5
134.03566	4.9
135.04413	12.7
137.02325	6.0
139.03908	1.7
149.02298	0.7
149.04443	1.4
150.03094	1.1
151.00290	1.5
151.03893	1.5
153.01811	1.0
155.03392	4.5
160.01547	3.2
161.02353	6.0
161.04335	0.5
163.00334	0.6
165.01924	0.6
171.02928	0.5
173.04463	26.1
174.04852	0.7
177.01849	73.2
178.02589	11.9
178.99806	0.6
179.03398	7.1
179.06947	0.7
181.01378	0.8
191.05539	52.0
192.05887	1.8
193.04918	0.7
194.05789	1.0
195.06572	0.8
209.08041	2.1
209.57777	0.5
215.05484	2.1
223.13377	1.2
267.12360	1.6
273.07593	0.9
295.09348	0.4
303.71887	0.4
307.08032	0.5
308.08963	0.6
313.10760	0.7
332.47726	0.4
343.11554	0.6
351.07184	12.7
352.07715	1.8
357.09787	1.4
365.07108	0.5
369.09772	10.2
370.10159	1.0
381.09747	1.1
387.10693	5.1
399.10684	1.1
399.16412	0.8
429.21194	1.2
511.71075	0.5
543.15143	0.6
561.15857	6.1
561.23651	0.6
562.16058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	86.6
61.98682	55.9
62.72895	27.6
71.49310	25.4
78.95762	45.3
80.96389	29.8
104.73388	35.3
107.54239	29.5
126.16906	26.7
140.79176	28.1
191.05495	100.0
209.11797	31.5
390.01852	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.3
59.01249	100.0
61.66743	0.6
61.93708	0.6
61.98707	2.3
71.01270	0.7
73.02840	0.8
78.95774	0.8
83.04910	1.8
97.06477	5.5
110.00012	3.6
116.33823	0.6
120.89457	0.6
121.02735	0.6
125.02332	2.5
137.99490	3.0
153.01837	20.4
154.02277	1.3
191.05568	0.9
194.05760	0.8
275.70361	0.7
293.21539	0.8
381.27570	0.8
462.15253	1.9
472.97940	0.6
499.30411	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	561.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30494	0.5
57.03318	1.5
59.01251	11.2
60.99171	1.4
67.01756	6.2
69.03321	1.8
69.25151	4.2
69.25571	1.0
70.58719	0.5
71.01248	7.4
72.99173	0.8
73.02815	1.5
77.03862	0.6
81.03313	1.4
83.01251	1.0
83.04891	1.5
85.02817	4.4
87.00743	2.4
89.02314	3.0
89.03806	0.5
93.03332	38.9
94.03659	1.3
95.04894	1.4
96.95918	0.7
99.00755	0.6
101.02332	2.0
105.03342	3.6
109.02812	2.2
111.00745	1.3
111.04394	7.0
113.02342	1.1
113.35217	0.5
115.91956	1.3
116.92719	4.1
119.03393	0.5
121.02849	2.0
122.03658	0.6
123.04372	1.1
125.02326	1.4
127.03889	1.5
132.02071	0.7
133.02846	23.8
134.03654	2.6
135.04425	6.7
136.01552	21.8
136.03162	0.7
136.04706	0.4
137.02362	6.4
143.03300	0.5
149.04448	1.5
150.03174	0.8
151.03909	32.3
152.01076	0.6
152.04266	1.7
155.03410	5.1
155.94878	0.5
160.01576	2.3
161.02356	5.5
161.04482	0.7
161.05937	0.8
163.03854	1.4
163.06038	0.5
164.04739	0.6
165.01662	0.5
173.04466	100.0
174.03342	0.9
174.04807	4.1
175.07529	0.7
176.04587	0.5
177.01859	15.4
178.02632	3.8
178.06235	0.7
179.03369	4.8
179.07100	0.8
191.05537	38.1
192.05861	1.4
193.05003	0.6
209.08109	1.6
215.05533	1.2
227.07080	0.6
293.08728	1.0
307.07962	0.6
325.14502	0.7
342.10989	1.9
351.07193	8.3
352.07614	0.9
357.13419	27.8
358.13846	2.5
369.09695	7.0
370.10144	0.8
381.09857	0.5
387.10648	5.1
431.92929	0.5
517.17444	0.6
561.15448	3.7
562.16791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83897	0.7
59.01249	10.8
60.38594	0.7
61.98688	1.2
70.15522	1.8
71.01249	1.2
72.99180	1.8
73.62009	0.8
76.66480	0.7
78.95745	1.1
85.02779	0.7
96.89573	0.7
97.06465	33.4
98.06794	1.8
109.99982	19.2
125.02329	8.4
137.99484	11.7
139.00267	1.4
141.81174	0.7
153.01839	100.0
154.02252	4.9
161.02374	2.4
175.03802	1.2
177.01869	1.4
179.03386	3.7
190.06297	1.2
191.05518	4.1
194.05739	3.3
205.08548	1.1
207.06580	2.1
209.08112	5.1
218.05815	1.1
233.08138	1.3
250.08395	1.1
253.09326	1.0
266.68420	0.8
291.19736	0.9
323.22247	2.2
341.38522	0.7
462.15347	8.3
463.15735	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	559.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39260	0.3
57.03316	0.6
59.01249	9.4
61.98692	1.1
68.83421	0.3
68.99675	0.5
69.03344	0.4
69.93830	1.9
71.01247	2.0
73.02826	0.6
81.03335	0.5
83.01231	0.3
83.04895	0.3
85.02808	1.2
87.00741	0.7
89.02320	0.7
93.03325	1.6
93.06972	1.9
95.01259	0.4
95.04892	0.9
97.06467	0.6
98.08710	0.3
99.00752	3.2
101.02316	0.9
105.03300	0.4
106.04073	0.4
107.04899	0.8
108.02071	0.6
109.02843	0.6
109.06514	0.5
109.99976	0.9
111.00762	2.3
113.02342	0.7
117.03357	0.4
118.04155	0.7
121.02837	0.9
121.06487	5.6
122.03640	2.1
123.04392	0.9
125.02312	0.6
131.04855	0.6
133.02824	1.2
133.06427	0.6
134.03633	1.2
135.04414	2.8
135.08031	1.8
137.02316	0.7
137.05989	0.7
139.00266	11.6
140.01064	7.8
145.02867	1.1
145.06490	3.3
147.04449	0.7
147.08011	0.9
148.05139	0.9
149.02318	2.5
149.04269	0.5
149.04758	0.4
149.05975	4.7
150.03134	4.0
151.00273	0.5
151.03938	2.3
153.01848	1.3
156.35181	0.4
159.04437	0.6
160.05132	0.7
161.02356	7.5
161.05957	0.9
162.02931	1.5
163.03905	0.9
163.07542	6.7
164.04744	0.6
165.05424	1.0
167.07014	0.7
172.05292	0.4
173.04538	0.8
173.06000	3.0
174.03120	0.6
175.03871	0.5
176.04704	2.2
177.01833	1.1
178.02632	5.6
179.03436	7.9
179.07028	3.7
180.03821	0.6
181.12215	0.6
187.07588	0.4
188.04688	2.2
189.01900	0.6
189.05484	6.1
190.06245	0.8
191.03490	4.7
191.05481	2.5
191.07031	6.3
192.04211	35.3
193.04649	2.5
194.05766	5.1
195.06160	0.5
201.05403	0.9
203.07002	0.7
205.01413	0.6
205.04994	0.5
206.02147	15.0
206.05696	1.2
207.02481	1.2
207.06561	41.7
208.06911	2.4
208.37204	0.4
209.08127	12.2
209.11725	1.5
210.08461	0.8
211.13359	0.5
215.07095	0.7
217.04985	3.4
218.05522	0.8
219.06607	2.3
219.84959	0.4
221.04491	6.6
222.04965	0.6
222.08891	1.9
225.11255	0.7
229.08644	0.6
231.06664	0.5
234.05356	0.9
235.06073	48.5
236.06380	3.8
249.07671	13.3
250.08429	100.0
251.08772	8.0
289.10834	0.8
323.22443	0.8
343.63162	0.9
407.15125	0.5
407.65466	0.8
454.42102	0.5
478.47437	0.4
527.28503	0.9
559.21741	7.3
559.32031	0.7
560.22095	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67995	0.4
59.01243	1.3
63.93873	0.3
63.96095	1.0
69.03318	0.6
69.14494	4.0
71.01254	5.0
73.02815	1.3
78.98461	3.5
79.95608	6.8
80.96390	48.3
81.03293	0.6
85.02847	2.1
87.00737	2.0
93.03346	0.4
94.97960	11.0
96.95860	0.6
97.02818	1.0
99.00792	0.5
101.02324	2.1
106.97972	2.5
113.02317	0.8
114.09740	0.3
122.97477	3.3
125.02332	2.7
127.03902	0.6
134.97472	3.0
136.99020	1.1
148.99028	4.4
149.04373	0.4
152.98540	4.5
164.98541	8.0
165.12790	0.4
168.82901	0.4
173.04413	0.9
181.57347	0.4
182.99611	1.4
184.34421	0.4
188.98512	0.3
191.05577	1.2
192.47783	0.4
206.99663	2.1
209.11829	1.7
225.00700	13.9
243.01682	1.0
243.33040	0.4
299.04355	1.9
311.72272	0.4
361.18854	0.5
433.47400	0.4
527.18298	1.6
559.20630	100.0
560.20959	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
55.19051	0.7
57.03323	40.7
57.64310	0.7
58.00473	1.1
59.01251	44.9
61.98706	12.7
69.03323	1.3
69.42213	6.0
70.99770	0.9
71.01254	31.9
72.99185	2.7
72.99719	0.7
73.02818	12.6
75.00725	1.2
81.03333	2.5
83.01256	4.1
85.02827	13.7
87.00746	4.4
89.02318	13.4
93.03317	2.6
94.80625	0.7
95.01272	2.8
97.02837	2.5
99.00772	7.3
99.04393	22.4
101.02325	32.5
102.02654	1.0
108.02007	0.8
111.00745	1.1
113.02341	15.5
114.02678	1.0
115.03910	2.0
117.01826	7.2
119.03391	2.2
123.04411	1.9
124.01542	1.0
125.02329	16.3
129.01811	1.0
131.03400	2.1
133.02831	2.1
135.04398	3.4
137.02350	1.0
143.03406	3.9
147.02914	1.0
149.04462	4.2
150.03178	1.0
151.03798	0.9
155.03287	1.1
159.02882	2.6
161.02327	3.0
161.04471	14.5
162.04895	0.8
163.03886	1.3
173.04486	3.7
179.03389	1.5
179.10660	2.4
191.05560	7.0
207.05032	2.6
223.09712	1.6
233.06642	1.2
265.10797	1.1
271.09869	0.9
281.55762	0.8
283.08688	0.7
283.11859	13.7
337.20386	1.3
353.06641	1.0
393.11746	1.0
397.15082	17.3
398.15512	2.7
415.16092	100.0
416.16428	10.7
449.76340	0.8
456.15857	0.8
457.17154	7.7
458.17514	0.9
467.15390	0.9
545.74957	1.0
559.20264	9.3
560.20721	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
55.19051	0.7
57.03323	40.7
57.64310	0.7
58.00473	1.1
59.01251	44.9
61.98706	12.7
69.03323	1.3
69.42213	6.0
70.99770	0.9
71.01254	31.9
72.99185	2.7
72.99719	0.7
73.02818	12.6
75.00725	1.2
81.03333	2.5
83.01256	4.1
85.02827	13.7
87.00746	4.4
89.02318	13.4
93.03317	2.6
94.80625	0.7
95.01272	2.8
97.02837	2.5
99.00772	7.3
99.04393	22.4
101.02325	32.5
102.02654	1.0
108.02007	0.8
111.00745	1.1
113.02341	15.5
114.02678	1.0
115.03910	2.0
117.01826	7.2
119.03391	2.2
123.04411	1.9
124.01542	1.0
125.02329	16.3
129.01811	1.0
131.03400	2.1
133.02831	2.1
135.04398	3.4
137.02350	1.0
143.03406	3.9
147.02914	1.0
149.04462	4.2
150.03178	1.0
151.03798	0.9
155.03287	1.1
159.02882	2.6
161.02327	3.0
161.04471	14.5
162.04895	0.8
163.03886	1.3
173.04486	3.7
179.03389	1.5
179.10660	2.4
191.05560	7.0
207.05032	2.6
223.09712	1.6
233.06642	1.2
265.10797	1.1
271.09869	0.9
281.55762	0.8
283.08688	0.7
283.11859	13.7
337.20386	1.3
353.06641	1.0
393.11746	1.0
397.15082	17.3
398.15512	2.7
415.16092	100.0
416.16428	10.7
449.76340	0.8
456.15857	0.8
457.17154	7.7
458.17514	0.9
467.15390	0.9
545.74957	1.0
559.20264	9.3
560.20721	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	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38851	0.1
59.01242	0.8
59.33703	0.1
61.98700	100.0
62.98395	0.1
69.20213	0.1
71.05062	0.3
78.95775	0.9
80.96279	0.2
152.99516	0.5
191.05507	0.7
193.11935	0.1
224.06841	0.3
255.23236	2.1
256.23618	1.5
257.23932	0.7
258.24289	0.4
305.68549	0.1
480.31018	0.9
481.31516	0.3
482.31519	0.5
483.31992	1.2
545.45905	0.1
557.31982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.0
63.96106	1.2
64.74770	0.3
69.03330	0.4
70.62666	1.1
71.01254	6.3
73.02831	1.4
78.98021	0.2
78.98459	6.5
79.95605	10.4
80.96391	66.8
81.03323	0.6
83.01241	0.5
85.02825	2.8
87.00754	2.1
94.97958	15.4
95.01255	0.4
96.95887	1.2
97.02853	1.5
99.00750	0.8
101.02348	2.6
106.97980	2.5
109.73300	0.3
122.97480	3.8
125.02358	2.8
127.03904	0.5
134.97472	4.5
136.99007	1.0
148.99052	5.9
152.98534	6.1
164.98544	12.9
167.00116	0.4
188.98674	0.5
206.99602	2.1
225.00700	16.5
255.23245	1.8
299.04434	2.9
388.33405	0.4
459.08304	0.3
555.28412	100.0
556.28760	15.6
584.98383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00813	1.1
57.03052	1.8
57.03327	34.6
59.01255	11.1
60.92931	0.9
61.98704	5.9
69.15221	11.7
71.01266	6.8
73.02769	1.2
81.03333	3.1
85.02818	4.1
89.02325	4.6
90.63759	1.0
95.01250	2.2
96.95894	1.1
99.04398	40.9
100.04736	1.3
101.02329	6.2
113.02337	13.1
119.03350	1.5
125.02346	36.0
126.02682	1.1
134.03621	2.9
135.04422	1.4
143.03383	1.5
149.04437	1.2
150.03098	1.2
151.03867	2.1
161.04477	4.9
173.04549	1.1
179.05585	1.7
191.05562	4.1
205.98517	52.6
206.98891	1.5
221.00877	100.0
222.01198	7.3
236.03246	71.3
237.03607	5.9
246.08269	1.0
251.05598	84.6
252.06035	6.8
311.09244	1.7
339.12454	1.9
341.13846	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	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57666	0.4
57.03308	2.1
59.01249	7.5
61.98705	1.2
69.03325	8.0
69.93404	1.0
69.93828	1.4
71.01251	2.3
71.04877	2.7
78.95759	0.4
80.02541	1.6
81.03336	2.2
83.01257	1.2
83.04900	6.9
84.02045	1.9
85.02809	0.5
89.02323	0.7
91.03832	0.6
93.03331	1.0
95.04905	1.4
96.41623	0.4
97.02805	0.9
97.06473	2.8
101.02316	0.7
108.02086	0.5
109.06459	1.0
111.04430	0.8
111.08043	0.4
113.02325	0.8
121.02795	0.5
121.06441	0.6
121.62776	0.4
123.04396	0.5
123.08050	2.4
125.05909	0.8
125.09608	4.7
133.02827	1.8
133.06458	0.8
133.10072	0.5
134.14163	0.5
135.04419	1.9
135.08040	0.9
137.09631	1.0
145.02849	1.2
149.09644	1.1
151.11200	5.5
153.12724	2.1
161.02347	3.9
161.09636	8.7
163.11194	5.3
165.12737	2.6
171.10231	0.8
177.09088	0.6
179.03391	2.2
179.10699	22.8
180.11028	1.3
181.12231	1.1
185.11752	1.1
185.13266	0.6
187.07500	0.7
191.10684	1.3
197.11757	82.1
198.12085	4.3
207.10118	0.8
209.11760	65.8
210.12096	2.9
211.13347	0.6
223.09674	2.9
225.11241	0.8
227.12816	7.4
229.12267	0.5
230.09288	0.5
241.10747	10.7
242.11145	0.6
247.13409	4.8
249.14937	0.8
263.16483	1.0
267.16019	1.6
271.02466	0.9
289.14490	1.6
293.21298	0.5
297.13437	4.2
299.01956	0.9
307.15579	1.1
309.24463	0.5
315.14450	15.1
316.14905	0.9
353.23242	0.6
389.23352	1.0
407.15131	1.6
416.15814	1.3
444.16995	0.6
453.17728	1.0
463.27075	1.1
507.25949	1.3
525.27039	100.0
526.27429	12.6
557.22125	0.9
557.29913	4.7
558.30737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.78111	0.4
63.96117	0.8
69.03339	0.6
71.01255	6.2
71.07066	0.9
73.02819	1.5
78.98464	5.0
79.95606	8.0
79.96046	0.7
80.96391	60.1
81.03334	0.8
84.65657	0.5
85.02829	2.4
87.00748	3.1
89.05015	0.4
94.97958	13.8
96.95901	0.9
97.02824	1.7
99.00736	0.9
99.04441	0.5
101.02306	2.5
106.97951	2.8
113.02333	0.6
122.97469	5.5
125.02325	2.6
127.03906	0.6
134.97499	4.4
136.99074	0.6
148.99059	5.4
150.13190	0.7
152.98553	6.3
164.98558	10.8
182.99606	1.7
184.41896	0.5
202.14886	0.5
206.99622	2.5
225.00690	17.4
226.00923	0.7
243.01736	1.8
255.23253	3.9
299.04416	2.0
299.15842	0.5
382.00629	0.5
555.28400	100.0
556.28760	17.2
578.28143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
59.01245	8.8
61.98706	2.7
71.01248	3.5
71.31466	0.6
71.50193	0.8
72.99194	0.6
73.02833	1.5
79.95638	0.7
80.96395	4.1
81.03331	1.2
84.41383	0.8
85.02803	1.4
87.00766	1.4
89.02345	2.8
93.03336	5.3
94.97967	0.7
95.01306	0.8
96.95886	13.6
100.66936	0.6
101.02331	2.5
103.93934	0.6
108.02075	1.2
109.02844	1.6
111.04421	1.1
113.02323	0.8
116.92787	0.8
119.03378	0.8
119.04915	1.1
121.02852	5.8
122.03637	12.5
123.04459	0.9
124.01602	1.1
125.02337	2.0
131.03433	0.8
132.02034	0.9
133.02829	4.0
134.03647	1.1
135.04411	2.4
136.01558	2.0
137.02316	1.7
137.06026	0.8
145.02812	0.6
147.04410	3.6
148.05191	0.8
149.02347	21.6
149.04227	3.1
149.05994	1.7
150.03131	91.0
151.03545	4.5
157.05009	0.7
158.03619	1.3
159.04419	3.2
160.05222	8.1
161.02396	1.2
161.04695	0.7
161.05957	2.8
162.03276	0.6
163.03880	3.6
164.04694	7.5
165.05479	100.0
166.05804	5.4
173.04518	1.4
173.05971	1.8
175.03851	1.0
175.07535	8.1
176.04594	1.2
177.01770	1.2
177.05495	3.9
178.06242	2.5
179.03368	1.3
180.04163	5.3
181.04845	0.9
189.63823	0.7
191.05518	4.1
193.08698	1.1
195.06561	63.6
196.06860	2.8
223.13248	0.8
225.00806	0.8
267.06747	0.6
285.11371	1.1
315.12357	0.7
329.13937	23.3
330.14102	2.3
423.16104	1.3
447.17810	1.7
458.14273	1.5
477.19208	20.6
478.19397	2.6
507.20050	1.5
525.21271	7.4
526.21533	1.3
534.22241	0.8
555.17200	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	555.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.7
59.01252	8.1
61.98690	2.8
65.57515	0.8
68.40130	0.8
69.54234	5.2
71.01252	3.3
72.99182	0.9
73.02817	1.8
73.85701	0.8
85.02846	1.7
87.00764	0.8
89.02312	2.3
91.90848	0.9
93.03329	3.5
96.95896	20.7
96.96848	1.1
99.00741	0.8
101.02328	1.8
102.37173	0.8
108.02069	1.2
109.02839	1.9
111.00811	1.0
111.04436	1.1
113.02357	1.3
119.04934	1.3
121.02853	7.6
122.03671	6.9
123.00790	1.9
123.04417	2.1
124.01434	0.8
125.02415	0.9
131.03415	1.5
131.04973	1.0
132.02028	1.9
133.02834	9.2
134.03615	3.4
135.04436	1.9
136.01579	1.6
137.02344	3.1
139.03864	1.3
140.79955	0.8
145.02864	1.0
146.03636	1.3
147.04425	15.2
148.05193	3.2
149.02361	26.2
149.04288	4.4
149.05954	4.4
150.03142	62.4
151.03616	3.2
153.05495	0.7
155.03384	1.2
156.00610	0.9
158.03651	4.1
159.04430	6.8
160.05223	14.2
161.02368	2.3
161.04645	1.2
161.05959	5.3
162.03139	1.4
163.03900	4.4
164.03452	1.2
164.04721	12.4
165.05492	49.5
166.05815	2.4
169.87178	0.8
173.04468	2.1
173.05977	5.7
175.03963	1.7
175.07588	15.9
176.04753	7.1
177.05530	9.2
178.06250	3.7
179.03384	1.2
179.06989	1.9
180.04276	3.8
181.01321	0.8
189.44763	0.9
190.06255	0.9
191.05498	3.4
191.07074	1.9
193.08623	1.8
195.06575	22.6
196.06837	1.0
267.12238	1.0
270.08881	2.1
284.10480	1.7
285.11343	1.1
297.11435	1.1
299.12744	1.0
315.12424	3.6
329.10001	1.8
329.13940	33.5
330.14279	2.5
337.10577	1.2
345.22986	2.2
416.53732	0.9
432.15530	1.9
447.18121	4.5
458.14401	1.1
459.17960	2.4
477.19205	100.0
478.19592	15.5
489.18970	1.8
507.20102	2.7
525.21307	15.1
526.21448	2.1
555.21753	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	554.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
64.88870	0.7
70.96631	0.5
71.01258	1.4
71.15353	0.6
71.49699	0.8
78.95779	6.2
78.98457	0.9
79.95564	1.2
80.96387	10.7
83.04884	1.0
87.00746	0.6
94.97971	2.3
96.98322	0.6
97.02810	0.7
122.97465	1.0
123.08052	0.6
125.09555	1.1
148.99036	0.9
152.98482	0.8
152.99565	0.7
164.98563	1.6
168.04248	1.3
192.70866	0.7
194.86018	0.6
209.11795	1.0
225.00708	2.3
242.07913	2.0
254.22044	0.7
279.23282	100.0
280.23645	10.5
296.33130	0.6
504.30951	28.6
505.31323	3.8
553.27240	0.6
554.27502	22.4
555.26874	3.1
555.34827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.0
60.97848	0.2
66.63230	0.2
70.12572	0.2
71.70649	0.2
78.95776	19.4
80.96386	1.5
81.25403	0.2
96.96833	0.3
106.01731	0.2
108.68445	0.2
122.98425	0.3
149.83881	0.2
152.99506	2.9
168.04228	3.1
168.91205	0.2
224.06882	8.2
225.00783	0.4
229.76033	0.3
237.22076	0.3
239.67609	0.2
242.07915	1.7
255.23265	100.0
256.23618	9.0
268.39801	0.2
317.05637	0.2
349.05267	0.3
457.98264	0.2
480.30945	60.0
481.31253	8.4
543.15515	0.3
554.27087	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	555.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	31.8
59.01250	46.1
60.01596	0.8
60.56301	0.6
61.98698	3.7
70.68409	1.9
71.01253	2.2
73.02823	1.3
75.00754	0.9
81.03368	0.8
83.04887	1.3
85.02850	1.2
89.02334	2.8
93.03342	1.1
95.04910	2.3
97.02826	5.2
97.06458	0.7
99.04395	22.5
101.02328	6.4
107.04894	1.4
109.02833	2.5
109.06450	4.7
111.04420	3.2
116.92726	0.7
119.08508	1.0
121.06456	3.4
122.03637	7.3
123.04419	1.6
123.08020	0.9
124.05190	14.8
125.02345	3.3
125.06019	2.9
131.03397	1.2
133.06509	5.4
135.04420	2.3
135.08051	1.1
136.05157	1.2
137.02325	0.8
137.05984	6.9
137.09608	0.8
139.07552	100.0
140.07912	4.2
144.03601	0.7
147.08058	1.7
148.25595	0.6
149.04454	9.2
149.05945	1.9
151.07562	0.9
161.02428	1.4
161.04469	10.0
163.07492	1.3
163.11203	1.7
167.23763	0.6
168.07849	17.3
169.08626	12.1
171.08089	1.0
173.04471	0.8
177.12695	0.8
179.03334	1.0
181.08643	5.0
185.09694	0.6
187.11238	9.3
188.11641	0.6
190.09969	2.8
191.05609	3.3
202.09990	1.0
205.12292	26.2
206.12566	1.6
210.08978	1.3
211.09721	4.7
217.12267	2.0
221.11868	1.2
223.13329	1.0
231.10309	0.9
235.13371	5.9
249.11330	6.2
250.11923	0.6
251.12785	1.4
261.11313	1.2
279.12372	82.8
280.12796	6.9
293.08575	1.1
312.12366	0.7
321.13422	4.5
339.12247	0.7
361.16571	1.2
399.16458	1.0
403.96027	0.6
423.16565	15.6
424.17053	2.3
555.20825	18.3
555.28217	0.7
556.21552	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	553.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77663	0.6
57.88783	0.5
59.01256	1.3
61.98706	0.7
63.96093	0.8
69.03338	0.7
70.36736	2.1
71.01253	6.4
73.02816	1.8
75.18254	0.5
78.95761	0.8
78.98463	5.1
79.95603	8.0
80.96391	54.9
81.03336	1.3
85.02831	2.3
87.00739	2.4
90.21598	0.6
94.97964	14.8
96.95894	1.3
97.02821	1.7
99.00787	0.6
101.02342	2.6
106.97957	2.8
122.97486	4.6
125.02333	2.0
127.03922	1.2
133.68140	0.6
134.97469	3.7
136.99031	0.8
148.99042	5.0
152.98547	5.6
164.98543	10.0
165.84433	0.6
182.99590	2.8
201.11259	0.5
206.99605	2.7
225.00693	13.0
243.01695	1.1
253.21811	2.5
279.23038	0.7
289.72961	0.6
295.22733	0.6
299.04413	2.4
405.31772	0.7
553.26862	100.0
554.27185	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	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00961	0.8
59.01249	12.9
70.98241	0.8
71.01254	2.9
73.02804	1.0
79.95564	0.5
80.96390	1.8
83.01268	0.4
85.02814	0.9
86.88612	0.4
87.00766	0.8
89.02306	2.3
93.03333	0.7
101.02328	3.3
113.02313	1.4
119.03383	0.8
125.02331	0.5
133.04932	0.7
134.03671	0.3
138.23520	0.4
143.03307	0.4
161.04424	1.3
173.04495	0.6
191.05524	1.5
192.05757	0.5
235.08171	2.7
253.09258	12.8
254.09741	0.5
255.23259	100.0
256.23596	9.9
271.02643	0.4
322.06052	0.4
414.73602	0.4
441.72443	0.6
463.71796	1.0
464.22403	0.6
477.23300	0.4
491.32266	0.4
550.74463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.3
61.98367	0.4
61.98687	1.4
62.65723	0.5
65.48528	0.4
69.31911	0.7
69.32314	3.9
74.61574	0.4
78.95773	8.0
80.96386	0.6
85.02812	0.6
87.42610	0.5
108.88987	0.5
124.64932	0.5
146.62100	0.5
152.99518	1.3
168.04250	2.6
224.06824	0.9
229.08627	0.6
242.07904	2.5
259.20627	0.7
277.21716	100.0
278.22073	11.7
292.79483	0.5
469.57925	0.6
502.29373	32.4
503.29697	6.0
553.25586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00861	0.5
59.01252	3.7
61.98697	0.8
63.33265	0.4
71.01253	1.5
76.78042	0.4
85.02830	1.2
86.73667	0.4
87.00772	1.6
89.02328	1.2
93.03345	3.0
95.04864	0.4
96.95879	0.8
105.03313	0.4
108.02018	0.5
109.02843	1.1
119.04948	0.5
121.02852	5.8
122.03635	12.2
123.04427	0.9
125.38417	0.6
133.02812	2.1
134.03687	0.5
135.04422	2.0
136.01567	11.8
137.02376	2.0
147.04427	0.8
149.02353	17.3
149.04393	1.1
150.03131	86.9
151.03932	14.7
152.04272	0.8
159.04364	1.1
161.02367	0.8
161.05907	0.6
162.03098	0.8
163.03931	0.7
164.04691	3.5
165.05481	100.0
166.05832	4.9
173.05943	0.5
175.03920	3.2
175.07526	0.5
177.01929	0.6
179.03365	0.9
179.81302	0.5
180.04187	6.1
187.07500	0.6
189.05530	1.6
190.06216	2.4
191.05540	1.9
195.06555	61.7
196.02435	0.8
196.06923	3.7
200.04839	0.5
205.08803	0.5
214.06401	0.7
252.04207	0.4
266.62747	0.6
296.39645	0.4
299.09235	1.3
311.13007	0.7
313.10794	1.0
325.97781	0.5
327.12408	4.8
328.12793	1.0
343.11700	1.4
357.13422	9.9
358.13708	1.3
371.15143	1.0
389.16208	0.6
475.17831	2.5
476.17822	0.9
487.17734	0.7
489.16891	0.5
505.18747	9.9
506.18781	1.8
553.21509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38932	0.8
57.03334	1.1
59.01252	5.8
61.98689	1.5
65.38472	0.8
68.55386	0.8
69.29378	4.1
69.29812	4.8
71.01260	3.2
85.21238	0.9
87.00767	4.7
89.02339	1.7
93.03342	5.5
101.02313	1.3
108.02054	1.8
109.02835	2.8
119.04895	1.0
121.02851	22.7
122.03652	15.2
123.00745	1.6
123.04433	2.1
124.01524	1.1
132.02090	2.1
133.02864	2.0
134.03609	1.7
135.04417	17.3
136.01569	24.7
137.02354	9.2
145.02808	1.0
146.03659	1.9
147.04414	3.8
149.02364	46.7
149.04346	2.0
149.06007	1.3
150.03142	80.5
151.03938	27.7
152.04205	1.1
153.39090	0.9
154.02620	2.7
159.04442	1.7
160.05209	2.8
161.02423	1.3
161.05991	3.2
162.03117	2.2
162.06528	1.2
163.03935	6.4
164.04739	10.9
165.05492	73.7
166.05774	2.6
168.04140	1.1
172.05229	3.5
173.05933	2.1
174.03197	1.2
175.03934	10.6
176.04761	1.9
176.58279	0.9
177.05486	2.7
178.02603	0.9
179.03365	2.5
179.07057	0.9
180.04178	3.5
187.07538	2.6
189.05446	6.1
190.06281	13.5
191.05510	1.6
191.07037	2.0
194.05777	2.6
195.06563	26.9
196.06946	1.5
201.05534	0.9
203.07118	1.3
204.07869	0.9
205.08723	2.0
209.08134	1.5
214.06358	1.2
215.07027	1.5
225.05220	1.2
229.08618	1.1
230.09486	1.4
236.04781	1.3
239.07079	1.1
240.07880	0.9
241.05087	1.1
245.62292	0.9
251.07118	1.0
252.04192	1.6
267.06638	2.0
271.09906	1.4
279.06653	1.2
283.10068	1.1
283.13318	1.9
284.06903	2.7
285.07681	2.1
299.09280	6.7
311.09418	1.1
311.12823	2.2
312.10068	0.9
313.10883	1.3
327.12372	7.5
343.11990	3.5
353.10291	1.1
357.13446	20.0
358.13773	2.2
359.18695	1.2
371.14944	3.5
403.17889	1.1
456.22604	1.0
460.15161	1.0
475.17719	9.2
476.17908	1.5
487.17404	2.7
490.16333	1.3
497.08191	1.1
505.18710	100.0
506.19061	15.8
553.20752	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01250	95.6
60.01583	1.0
60.27228	0.7
61.98689	1.3
69.62967	4.6
71.01250	9.0
71.64642	0.6
72.99182	1.0
73.02822	4.4
75.00757	1.5
83.01244	1.1
83.04893	1.7
83.70933	0.8
85.02846	2.8
85.27383	0.6
87.00732	3.4
89.02312	5.9
93.03354	1.8
95.01255	0.7
97.06410	0.7
98.19900	1.2
99.04395	3.3
101.02314	4.1
103.03879	0.8
109.02853	1.4
113.02319	2.8
115.03842	0.8
117.01904	0.9
119.03373	1.6
125.02332	0.8
131.03348	1.2
133.01387	0.8
133.02760	0.9
134.03603	0.8
135.04420	3.0
137.02367	1.0
143.03365	0.8
149.04448	7.3
150.04785	1.3
160.01611	1.2
161.02327	2.6
161.04500	0.8
165.12767	1.8
167.10663	0.9
173.04530	1.0
175.03860	1.6
179.03418	1.7
182.45860	0.7
187.07524	1.2
191.05536	7.4
193.04926	1.5
207.13876	3.7
209.11771	10.7
225.14920	7.4
227.12846	55.3
228.13222	2.8
251.12842	1.3
269.13940	12.5
270.14175	1.0
287.14999	100.0
288.15298	7.1
313.10919	1.2
359.14993	1.5
361.18375	1.0
375.14163	0.9
419.19189	55.6
420.19543	6.7
465.27115	2.4
491.28598	2.9
509.29733	1.4
551.23480	48.0
551.30847	6.9
552.23676	7.2
552.31073	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06016	0.6
55.01738	1.0
57.03326	1.4
58.00462	1.9
59.01250	39.1
59.70119	0.5
60.01552	0.6
61.98695	1.4
68.66871	0.5
69.35445	4.4
69.35862	1.1
70.19057	0.5
71.01253	32.0
72.01582	0.7
72.99181	2.7
73.02818	4.1
75.00754	1.1
81.03318	0.8
83.01251	2.0
83.04885	1.7
85.02828	7.0
87.00764	3.4
89.02316	31.6
91.00156	0.6
93.03314	2.5
95.01242	2.4
96.00801	0.6
97.02802	0.9
97.06441	0.7
98.34363	0.6
99.00739	1.4
101.02318	17.0
107.04897	0.7
108.02053	0.8
109.02823	1.9
111.04406	0.6
111.08042	3.1
113.02332	12.0
114.02659	0.5
115.03893	0.9
119.03387	10.7
119.04797	0.6
121.02845	2.1
122.03618	1.1
123.04372	1.2
125.02356	1.4
129.05391	0.7
131.03406	2.6
133.02838	1.7
134.03638	0.8
135.04416	3.8
136.01508	0.6
136.66302	0.7
137.02344	1.8
143.03383	1.9
145.02824	2.2
146.03641	46.8
147.04207	2.6
149.02361	8.1
149.04434	5.1
150.03131	12.7
151.03831	1.0
152.01041	2.0
159.02921	0.7
159.04443	0.6
161.02434	2.7
161.04466	4.1
161.05965	13.9
163.03911	3.6
164.04706	38.1
165.05482	11.8
165.07681	0.6
166.05774	0.7
167.03394	0.7
173.02277	0.7
173.04434	2.0
173.08090	2.1
174.03262	0.6
175.03955	0.9
177.05440	0.9
179.03540	2.2
179.05568	8.2
179.07042	100.0
180.04211	1.4
180.07359	5.3
181.12234	0.7
185.05980	1.1
191.05533	6.1
193.01407	3.4
194.01752	0.7
195.06564	9.6
208.03740	7.2
208.90402	0.5
209.04204	0.7
209.08080	1.0
223.06059	21.0
224.06381	1.4
227.12801	0.8
230.05742	0.9
231.10194	0.6
239.16544	0.8
257.10284	1.0
283.06064	1.4
298.08517	1.9
313.10855	4.0
341.10535	0.9
344.08615	0.6
359.14828	0.7
371.11200	1.1
375.14398	2.5
389.12289	1.3
389.16321	7.1
390.16376	1.0
419.13950	1.0
419.18829	2.5
419.22894	2.9
491.15851	0.7
491.28333	0.9
503.15576	1.2
521.20410	5.7
522.20648	0.9
533.20349	6.0
534.20337	1.2
536.16724	0.6
551.22815	5.0
551.30817	5.1
552.21393	0.8
552.31079	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	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03302	1.1
58.00475	5.3
59.01250	100.0
61.98709	1.2
62.88188	0.9
69.03326	5.8
69.72579	4.9
71.01253	68.4
72.99176	6.3
73.02818	21.5
75.00758	1.5
76.82597	1.0
78.23369	0.9
81.03317	4.5
83.01273	7.7
83.04887	1.1
83.10165	1.1
85.02821	26.6
87.00745	4.9
87.04378	1.1
89.02314	36.9
89.49723	0.9
93.03304	1.1
95.01238	2.0
96.95892	1.3
97.02840	9.1
99.00740	2.8
101.02321	46.2
102.01848	2.0
103.00228	0.9
103.03212	1.8
103.03893	35.4
109.99988	1.3
113.02330	6.2
115.03909	1.1
119.03385	20.9
120.99554	1.1
125.02339	42.2
125.03255	2.2
127.03868	2.5
131.03378	1.8
134.03682	0.9
137.99458	1.1
143.03413	5.6
145.04999	5.9
149.04376	1.1
151.03897	0.9
153.01845	34.7
154.02158	1.4
161.04454	3.6
163.06038	36.3
165.01836	1.2
168.04187	22.4
169.04529	1.7
179.03464	1.1
179.05511	2.6
183.06561	6.5
191.05467	2.1
193.04993	2.0
205.07091	2.9
247.08215	9.6
248.08672	0.9
289.09415	1.8
307.10349	27.6
308.10672	2.3
340.33896	1.0
372.14728	1.1
389.03488	1.1
389.21457	4.7
431.22348	0.9
551.27185	8.8
552.27026	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64437	0.8
57.03320	1.9
58.00442	1.9
59.01251	41.0
59.51116	0.9
61.98709	7.3
64.96385	1.1
71.01250	36.3
71.50644	1.1
72.99169	2.9
73.02816	5.8
75.00747	2.1
83.01254	2.2
85.02824	8.0
87.00732	4.6
89.02318	34.8
93.03331	3.4
94.33127	1.1
95.01252	2.5
97.02807	1.0
98.93275	0.9
99.00764	2.1
101.02315	19.8
106.76921	1.0
109.02834	1.3
111.04398	1.0
111.08038	2.6
113.02330	13.8
117.01805	1.2
119.03391	11.9
121.02854	5.3
122.03609	3.8
123.04381	1.4
130.64247	0.9
131.03406	3.3
134.50887	0.9
135.04420	4.9
136.01530	1.8
137.02324	3.0
137.03346	0.8
143.03398	3.7
145.02847	2.3
146.03633	44.3
147.04184	2.1
149.02332	17.8
149.04405	5.9
150.03139	25.7
151.03809	2.9
152.01016	2.2
159.04543	1.1
161.02281	2.0
161.04448	3.7
161.05966	13.5
163.03929	5.1
164.04706	36.6
165.01747	1.4
165.04124	1.6
165.05476	23.7
166.05803	1.5
167.03278	1.0
173.04477	3.4
176.04752	1.1
179.03642	2.2
179.05531	12.4
179.07033	100.0
180.04247	2.3
180.07346	4.9
191.05530	5.1
193.01334	6.6
195.06551	21.9
196.06816	1.4
200.69569	0.9
208.03697	12.2
223.06071	45.8
224.06375	3.4
268.55222	1.0
283.06100	1.0
298.08328	1.4
311.09631	1.4
312.09741	1.1
313.10727	2.5
341.10040	1.2
371.11224	4.2
375.14493	2.5
389.12152	1.4
389.16037	9.9
390.16385	1.4
419.13382	5.1
419.23575	7.6
420.13721	1.4
420.22845	1.2
491.15216	2.2
503.15497	2.9
518.18085	1.1
521.20367	14.0
522.20477	1.7
533.20270	17.0
534.20532	3.2
551.21509	4.1
551.31476	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	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.3
59.01249	12.1
61.98685	1.4
65.97478	1.2
67.01761	1.1
71.01273	6.3
71.46467	1.2
73.02814	3.3
75.00723	1.5
85.02811	2.6
87.00710	1.7
89.02316	4.8
90.01970	1.2
91.67255	1.2
98.10149	1.3
98.20600	2.4
98.50290	1.2
99.00732	1.6
101.02328	3.8
113.02283	2.4
117.01836	2.3
119.03405	1.4
121.02865	1.7
125.02316	1.4
131.03427	2.2
133.02829	1.5
134.03636	48.8
135.04378	1.6
136.01538	1.8
137.02344	17.4
139.03920	1.8
149.04451	5.5
149.05971	12.0
150.03102	3.8
151.03931	3.1
159.23380	1.3
160.01561	3.3
161.02347	2.1
164.01068	2.0
165.01848	61.1
165.04018	3.5
165.05348	2.5
166.02202	2.9
173.04376	1.3
175.03896	3.9
177.01828	1.7
178.02638	22.9
179.03419	18.4
180.04208	32.2
180.05779	2.4
181.04604	2.8
182.89600	1.1
187.04512	1.5
191.05545	6.4
193.04994	100.0
194.05486	5.8
195.06557	41.3
196.07025	1.9
199.09744	1.6
209.05978	3.2
210.05278	5.1
211.05832	1.8
225.07634	52.0
226.08096	3.0
237.05443	2.1
243.12463	1.6
265.05011	1.5
269.08203	3.3
287.15009	5.6
297.07681	7.7
298.07959	1.5
312.10025	4.7
313.07190	1.5
337.09274	3.7
341.06384	2.5
359.14969	4.1
371.11359	49.0
372.11685	3.8
419.13297	8.3
419.19290	2.9
551.17047	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	550.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12059	0.2
51.12692	0.2
59.01247	3.7
59.61165	0.2
61.98701	100.0
62.98407	0.2
71.01258	2.6
71.49615	0.2
71.49992	0.3
72.99194	0.5
73.02817	0.6
75.00756	0.3
83.01271	0.2
83.04914	0.2
84.02063	0.2
85.02820	0.7
87.00769	0.8
89.02316	2.4
93.03348	0.7
95.01320	0.2
97.02878	0.2
101.02322	1.3
109.04524	0.2
113.02341	0.7
119.03370	0.9
121.02876	0.4
122.03593	0.2
131.03363	0.3
134.03677	0.2
135.04398	0.6
136.01514	0.9
137.02371	0.3
145.02808	0.2
146.03647	1.2
149.02374	1.3
149.04443	1.4
150.03159	1.7
150.04283	0.2
150.04819	0.2
151.00311	0.3
151.03905	1.4
152.01039	0.2
152.04312	0.4
161.02368	0.4
161.04541	0.3
161.06000	0.4
161.50531	0.2
163.03926	0.4
164.04715	1.9
165.05482	1.9
166.02611	0.9
167.03117	0.3
173.04555	0.4
179.03477	0.3
179.05545	0.5
179.07022	3.3
181.04985	1.3
182.05397	0.5
191.05522	1.4
193.01389	0.6
195.06526	1.6
208.03746	0.8
212.24423	0.2
223.06068	3.2
285.02695	0.2
287.14865	0.3
338.87006	0.2
370.13852	0.3
371.11145	0.2
387.14609	1.4
388.14822	3.1
389.15753	0.7
417.21506	0.3
418.21811	0.6
419.13763	0.4
503.16080	0.3
533.20410	0.3
550.16235	0.2
550.24005	0.4
551.30951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
59.01250	16.1
61.98701	0.6
69.23235	4.4
69.23651	1.6
71.01247	2.5
73.02807	0.7
78.95753	1.6
81.23446	0.7
83.01263	0.7
85.02859	0.6
89.02316	1.8
101.02328	2.7
110.93086	0.6
113.02331	1.0
119.03392	0.9
136.41933	0.6
152.99461	1.0
161.04425	1.0
191.05565	0.8
193.97221	0.6
235.08174	2.2
253.09291	12.9
253.21706	100.0
254.22043	9.6
338.45001	0.7
539.05267	0.7
549.27655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66999	0.2
53.77079	0.2
55.01752	1.1
57.03319	1.8
58.00462	0.8
59.01250	100.0
60.01593	1.5
61.98708	0.4
62.24272	0.2
68.99674	0.2
69.03339	0.9
71.01253	17.4
71.51044	0.3
72.01600	0.3
72.99182	0.8
73.02819	12.4
74.03168	0.3
75.00755	0.3
81.03330	0.4
83.01257	5.1
84.01594	0.2
84.02076	0.3
85.02824	9.4
85.06451	0.2
85.99981	0.2
86.03172	0.3
87.00742	1.4
87.04412	0.2
89.02319	3.0
93.03343	0.2
95.01255	2.1
97.02826	1.0
97.06494	0.4
99.00748	1.6
101.02324	15.3
102.02672	0.4
109.40108	0.2
111.00765	0.8
113.02330	12.5
115.03900	0.3
115.07522	0.4
119.03381	2.0
124.01554	0.3
125.02319	1.6
129.01825	0.3
130.04123	0.3
131.03409	0.6
131.04913	0.2
135.04401	0.4
143.03395	1.9
143.04517	0.2
143.04965	0.2
145.06488	0.7
146.03603	0.5
147.04433	0.4
149.04471	0.8
155.04913	0.2
157.06462	0.2
158.03645	1.8
158.07268	0.6
159.02924	0.6
159.04399	1.4
159.08055	0.7
160.05083	0.3
161.02376	0.3
161.04460	3.6
161.05820	0.3
163.07513	0.2
167.03470	0.2
171.04395	0.3
172.05231	2.6
173.04640	0.2
173.05997	3.6
173.09647	1.2
174.03114	1.9
174.06769	1.1
175.03941	0.3
175.07520	0.8
179.05464	0.2
181.05008	0.3
183.04378	0.2
185.05945	0.6
186.03143	0.3
186.06812	1.9
187.03952	3.8
187.07568	6.0
188.04478	0.6
188.07886	0.4
191.05566	0.4
199.03912	0.3
200.04726	2.8
200.08356	0.4
201.05501	12.9
201.09128	4.6
202.06274	7.9
202.09567	0.6
203.07048	2.8
211.07649	0.3
211.16951	0.6
213.09323	0.2
214.06265	0.5
215.07086	1.3
221.06709	0.3
228.07880	1.0
229.08656	20.0
230.09416	28.8
231.09851	2.8
246.08963	0.3
247.09738	1.1
249.11220	0.3
251.23807	1.0
272.06848	0.2
281.24951	0.2
297.24283	0.5
299.25812	1.4
300.26428	0.2
327.16052	0.4
327.28998	0.6
343.28494	0.3
345.30084	7.5
346.30447	0.8
378.07990	0.2
409.15005	1.1
410.15796	0.4
411.16385	0.3
427.45493	0.2
441.32312	0.4
451.16083	2.7
452.16837	5.6
453.17273	0.7
459.33206	0.4
489.34311	34.9
490.34647	5.9
490.40140	0.1
507.35321	18.4
508.35818	2.7
549.23499	0.4
549.36523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56989	0.5
55.01570	0.5
55.01803	1.0
55.66158	0.5
57.03404	1.6
58.00519	1.0
59.01002	4.3
59.01331	31.3
61.98757	0.6
64.31369	0.5
69.03401	1.1
69.98727	2.1
71.00916	2.7
71.01352	25.0
71.81404	0.5
71.98580	0.5
71.98969	0.6
72.01647	0.8
72.98891	0.7
72.99271	1.8
73.02464	2.0
73.02918	16.9
75.00842	1.7
82.77953	0.5
83.01370	4.8
83.04987	0.6
83.53404	0.5
85.02934	9.6
87.00868	3.3
88.98795	2.5
89.01840	1.0
89.02432	10.3
93.03438	1.3
95.01377	1.8
97.02898	1.2
97.06545	0.9
98.20490	0.8
99.00865	2.2
101.01720	1.6
101.02442	20.5
102.05585	0.9
111.00828	0.6
111.04461	0.9
111.27084	0.6
113.02340	8.1
115.92085	1.3
117.01978	0.7
119.03526	2.9
119.05017	0.5
125.02406	0.7
128.03525	0.9
130.76195	0.6
131.03462	1.3
133.02919	0.9
134.03737	1.0
135.04543	1.5
136.04721	0.5
143.03503	0.7
149.04446	7.2
150.55975	0.6
159.03004	0.6
161.02461	1.2
161.04597	2.5
163.11363	1.0
165.04068	0.7
173.04623	1.2
175.04047	0.6
179.03500	0.8
179.05702	0.6
179.10837	1.5
181.12331	5.0
181.13438	0.5
183.03265	0.6
191.05554	4.1
199.07721	0.6
200.04967	0.8
201.05634	0.9
203.03224	0.6
207.03238	0.6
225.11278	2.9
226.06007	0.6
229.08833	0.8
230.09517	1.9
237.14980	1.1
243.10422	0.6
254.09483	0.8
255.10367	1.2
255.13789	0.9
255.16071	2.7
269.14117	1.7
270.12582	0.7
283.13516	2.3
298.12115	3.5
299.16638	0.7
325.78500	0.6
327.16000	6.2
343.11508	0.7
417.21301	100.0
418.21591	12.4
459.42245	0.6
473.79416	0.6
505.20694	0.8
507.21979	4.2
549.24249	35.8
550.24548	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	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56989	0.5
55.01570	0.5
55.01803	1.0
55.66158	0.5
57.03404	1.6
58.00519	1.0
59.01002	4.3
59.01331	31.3
61.98757	0.6
64.31369	0.5
69.03401	1.1
69.98727	2.1
71.00916	2.7
71.01352	25.0
71.81404	0.5
71.98580	0.5
71.98969	0.6
72.01647	0.8
72.98891	0.7
72.99271	1.8
73.02464	2.0
73.02918	16.9
75.00842	1.7
82.77953	0.5
83.01370	4.8
83.04987	0.6
83.53404	0.5
85.02934	9.6
87.00868	3.3
88.98795	2.5
89.01840	1.0
89.02432	10.3
93.03438	1.3
95.01377	1.8
97.02898	1.2
97.06545	0.9
98.20490	0.8
99.00865	2.2
101.01720	1.6
101.02442	20.5
102.05585	0.9
111.00828	0.6
111.04461	0.9
111.27084	0.6
113.02340	8.1
115.92085	1.3
117.01978	0.7
119.03526	2.9
119.05017	0.5
125.02406	0.7
128.03525	0.9
130.76195	0.6
131.03462	1.3
133.02919	0.9
134.03737	1.0
135.04543	1.5
136.04721	0.5
143.03503	0.7
149.04446	7.2
150.55975	0.6
159.03004	0.6
161.02461	1.2
161.04597	2.5
163.11363	1.0
165.04068	0.7
173.04623	1.2
175.04047	0.6
179.03500	0.8
179.05702	0.6
179.10837	1.5
181.12331	5.0
181.13438	0.5
183.03265	0.6
191.05554	4.1
199.07721	0.6
200.04967	0.8
201.05634	0.9
203.03224	0.6
207.03238	0.6
225.11278	2.9
226.06007	0.6
229.08833	0.8
230.09517	1.9
237.14980	1.1
243.10422	0.6
254.09483	0.8
255.10367	1.2
255.13789	0.9
255.16071	2.7
269.14117	1.7
270.12582	0.7
283.13516	2.3
298.12115	3.5
299.16638	0.7
325.78500	0.6
327.16000	6.2
343.11508	0.7
417.21301	100.0
418.21591	12.4
459.42245	0.6
473.79416	0.6
505.20694	0.8
507.21979	4.2
549.24249	35.8
550.24548	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	549.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23595	0.5
51.69075	0.5
58.00464	1.0
59.01254	48.1
59.68054	0.5
61.21803	0.6
71.00853	0.9
71.01257	18.8
71.37852	1.0
72.99199	0.8
73.02822	41.6
81.03331	0.7
83.01263	9.5
85.02828	4.0
87.00770	1.6
89.02320	3.8
95.01314	0.9
97.06497	0.8
101.02328	27.2
102.02644	1.1
113.02342	9.1
119.03409	3.1
125.02380	0.8
130.04126	1.5
131.03384	2.2
143.03369	2.1
145.02859	0.9
145.06461	2.8
146.03738	0.6
149.04468	1.8
150.03189	0.7
155.04962	1.0
157.06441	0.7
158.03627	6.4
158.07339	1.5
159.04469	3.5
159.08043	2.4
161.02412	0.8
161.04482	6.4
172.05205	9.7
173.06018	14.5
173.09587	4.1
174.03162	3.6
174.06767	5.3
175.04015	0.6
175.07570	2.8
175.38254	0.6
183.04459	1.1
185.06004	2.6
186.03130	1.2
186.06796	6.6
187.03964	8.1
187.07587	22.6
188.04572	0.7
188.07996	1.2
199.04124	0.7
200.04694	9.0
200.08411	1.4
201.05527	51.3
201.09138	17.9
202.06284	23.2
202.09523	1.2
203.07080	7.8
204.07500	0.7
211.07532	1.1
214.06259	2.1
215.07085	4.2
217.08571	0.6
221.06755	1.0
228.07883	3.6
229.08667	73.1
230.09433	100.0
231.09863	10.3
246.08952	1.7
247.09651	3.8
254.34653	0.6
311.45898	0.6
327.16171	1.3
400.91476	0.6
402.90985	0.6
409.14807	2.0
410.15573	0.7
451.16180	10.0
452.16849	11.5
453.17456	1.4
489.34393	0.7
549.23608	1.7
551.24060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
57.03304	1.8
58.00471	1.8
59.01250	100.0
60.01572	1.2
61.98698	1.8
68.30735	1.0
69.47482	7.0
71.01251	50.7
72.99185	2.7
73.02818	55.7
73.13754	0.8
74.03146	1.0
83.01257	16.1
85.02826	10.2
87.00744	5.8
89.02315	13.4
91.23045	1.0
93.03331	2.4
95.01253	2.4
97.02830	1.6
99.00766	2.2
101.02325	58.3
113.02322	21.7
115.91974	2.4
119.03396	13.5
123.04405	5.9
125.02342	1.6
130.52263	0.9
131.03389	3.7
134.03638	8.1
135.04419	19.9
143.03427	5.3
145.02858	1.2
145.06511	1.1
146.03600	1.3
149.02367	1.3
149.04488	6.2
150.03122	2.2
151.03914	27.9
152.04164	0.9
153.05493	1.1
158.03618	3.8
158.07260	1.8
159.04391	1.8
159.08064	1.3
160.05180	1.3
161.02309	2.6
161.04457	16.5
163.03912	13.9
172.05179	6.9
172.77626	0.9
173.06017	7.7
173.09648	3.4
174.03125	2.9
174.06699	3.2
175.07555	3.3
178.06270	12.8
179.03329	1.5
185.05965	2.3
186.06758	3.4
187.03922	9.5
187.07553	15.0
188.07918	1.1
191.05530	3.3
193.08640	20.3
194.09009	1.5
200.04726	7.6
200.08388	1.6
201.05508	27.6
201.09167	12.1
202.06293	27.7
202.09244	1.2
203.07133	8.7
205.08627	1.2
211.07532	1.5
214.06326	1.7
215.06978	2.3
215.25211	1.0
221.06578	3.8
228.07893	2.7
229.08665	64.1
230.09428	58.6
231.09871	5.6
246.08987	1.7
247.09618	2.1
255.13780	2.0
257.86432	1.0
299.16611	2.8
313.09061	1.0
315.10776	2.3
327.16092	2.5
355.10468	6.2
357.11996	2.6
409.15051	2.4
451.16135	11.3
452.16846	11.7
477.21298	3.0
479.22659	3.7
488.32635	2.0
489.33823	2.6
507.22293	3.7
521.23688	3.3
549.23853	11.9
550.23456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	5.2
58.00468	4.2
58.93357	2.7
59.01253	100.0
61.98695	6.0
69.40495	7.6
69.40917	17.8
71.01258	44.9
72.99178	8.5
73.02827	12.7
75.00739	4.0
79.83058	2.8
83.01250	4.5
85.02830	12.3
87.00720	3.4
89.02318	51.0
93.03340	10.3
99.00737	4.4
101.02338	33.4
111.04498	2.7
113.02337	16.4
119.03378	17.5
119.96259	3.1
121.02850	5.8
128.73949	3.3
131.03368	4.7
135.04437	3.6
136.01505	3.8
137.02330	12.2
143.03342	3.7
149.04463	46.9
151.03900	5.0
153.09119	5.7
161.02347	5.7
161.04430	6.4
173.04524	3.7
175.04022	4.3
177.05515	3.7
179.03427	10.6
179.05516	5.2
179.07019	3.1
181.12277	9.1
184.86450	3.3
188.03249	3.4
191.05525	15.1
191.07120	4.8
225.11320	5.1
239.05702	3.8
244.07332	4.5
267.10001	4.1
268.07443	9.5
279.06741	2.9
280.07071	4.0
283.09729	3.1
296.07013	5.6
298.12302	4.5
308.06906	8.8
309.07562	6.0
311.09070	4.3
322.08578	5.7
323.05823	3.1
323.09143	16.5
324.06470	5.4
324.09933	4.2
327.16162	5.0
338.11472	4.6
339.08670	46.5
339.12180	2.8
340.09039	3.3
354.11072	13.8
369.09216	5.8
369.13400	60.5
370.13712	9.8
387.14185	8.1
417.21655	24.3
418.21860	4.1
507.22006	7.1
549.22601	25.1
550.22913	5.7
577.79449	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	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.5
57.03318	6.2
58.00457	3.0
59.01252	100.0
61.98702	5.2
66.83482	2.0
66.91685	1.9
69.03342	2.6
69.38396	4.5
69.38808	12.8
71.01255	55.9
72.18958	2.0
72.99184	7.0
73.02829	17.6
75.00734	5.4
79.61600	2.1
83.01249	6.2
85.02805	12.5
87.00748	7.5
89.01768	3.7
89.02316	54.8
92.41857	2.2
93.03331	15.1
95.01274	2.8
96.95889	2.7
97.02850	4.5
97.06528	2.7
99.00791	3.6
101.02326	41.9
103.03923	2.4
111.00778	2.4
111.04371	3.2
113.02331	22.6
115.91937	2.3
119.03399	20.3
123.00765	3.2
131.03397	8.4
133.02864	7.8
135.04428	10.9
136.01598	3.6
137.02353	11.3
143.03351	2.6
149.03316	3.8
149.04463	57.2
149.05684	4.8
151.03931	5.9
153.09108	2.6
159.04424	4.4
160.01620	4.6
161.02351	17.5
161.04472	5.9
173.04440	7.9
175.03868	2.6
177.05325	2.5
179.03407	10.8
179.05516	6.2
181.12265	18.6
187.07527	6.0
188.08221	2.4
191.04045	2.5
191.05496	16.8
193.05081	2.0
203.07062	2.4
207.13940	2.1
209.06377	2.1
225.05702	2.5
225.11241	18.1
229.08592	4.4
230.09328	2.3
237.07574	2.3
239.05684	3.0
240.07980	4.5
251.07085	3.0
268.07336	7.9
269.13846	6.2
280.07446	4.5
283.09714	4.8
294.05176	2.3
296.06894	3.5
298.12000	3.1
308.06912	5.4
309.07581	7.0
311.09137	3.8
323.09183	15.7
324.06277	7.5
324.09909	3.7
327.16086	5.0
331.17661	6.8
337.10587	2.6
338.11655	5.4
339.08691	47.7
339.12631	3.5
340.08960	6.4
354.11066	16.2
355.12311	2.4
369.13419	67.2
370.14209	10.3
387.14484	9.9
417.21680	30.4
418.21643	6.4
481.57388	2.7
507.22162	8.9
549.22595	32.1
549.30310	4.1
550.23560	6.7
553.36945	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	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98708	0.2
69.32735	1.2
69.33145	0.2
71.01275	0.2
73.02827	0.2
77.03825	1.9
88.08733	0.1
93.03339	0.4
98.04066	0.2
98.20601	0.4
121.02840	100.0
122.03176	3.5
135.04422	0.2
137.02289	0.2
137.93077	0.2
147.04439	0.4
165.01837	53.4
166.02162	2.1
179.04889	0.2
180.05696	0.6
181.06511	2.6
191.03560	0.2
194.32185	0.2
197.06003	2.1
206.07332	0.2
207.04410	0.9
207.08080	0.2
223.04042	0.4
225.05544	1.5
229.08688	0.4
230.09415	0.5
243.02867	0.2
251.07169	0.2
257.09729	0.8
285.09100	0.2
295.06110	0.2
301.08832	0.2
313.07181	1.2
357.06119	0.7
383.07761	0.7
417.09711	2.1
418.10391	0.2
505.11578	1.6
505.19278	0.2
506.11484	0.2
549.10358	27.6
550.10693	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	549.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	2.7
59.01250	14.8
70.39583	3.0
70.39973	1.6
71.01246	3.4
72.99167	3.2
73.02824	1.3
74.99500	1.0
83.01257	1.3
89.02316	5.8
99.00755	2.2
101.99472	1.2
113.02354	1.5
117.01823	95.2
118.02168	2.1
133.42638	1.0
145.02867	1.5
159.02785	1.0
164.92654	2.0
189.03952	2.3
191.05540	1.3
192.05928	1.2
199.21199	1.0
206.93694	2.0
207.05035	100.0
208.05389	3.9
248.83800	1.0
336.64627	1.2
477.42163	1.2
537.16693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.089
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.45539	1.1
57.25529	1.0
59.01257	10.4
65.00198	1.2
69.14762	12.8
71.01260	5.9
73.02837	2.3
85.02849	1.7
87.00754	1.3
89.02328	5.0
93.03330	2.3
96.95898	1.8
98.19833	2.3
101.02330	4.0
106.61620	1.2
107.01282	1.7
108.02081	1.9
109.02819	1.6
113.02330	2.5
117.87648	1.1
119.03394	1.3
131.03419	1.3
143.03491	1.0
146.04536	1.2
146.69843	1.0
148.01567	2.1
149.04451	6.6
151.00266	12.2
161.02321	1.4
163.00313	1.8
163.03883	1.0
173.04521	2.4
178.99779	4.6
179.10649	1.3
187.03888	1.6
191.05551	4.0
199.38667	1.1
211.01247	1.1
211.03870	1.3
215.55994	1.4
226.02623	1.5
227.03470	2.3
243.02937	11.2
254.02127	1.5
255.02989	26.4
271.02490	56.6
272.03021	5.8
273.03894	1.2
277.18076	1.1
283.02783	1.4
299.01895	1.8
300.02747	100.0
301.03470	48.3
302.03937	4.2
306.64218	1.2
347.88120	1.1
369.09885	1.5
417.21780	2.1
463.08875	5.0
480.67310	1.1
497.68048	1.3
505.09906	80.3
506.10239	10.8
549.21930	2.7
552.29663	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	547.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	14.4
68.21172	1.5
71.01243	4.1
71.08323	1.7
71.08664	3.8
73.02823	2.7
85.02834	2.1
87.00745	3.5
89.02304	1.8
93.03345	4.2
101.02321	2.2
110.00083	1.6
133.02840	4.4
135.04439	3.3
173.04506	2.1
177.01863	2.2
178.02536	2.8
183.04527	1.9
189.73865	2.0
191.05522	3.5
211.03871	3.0
227.03453	14.7
255.02971	51.8
256.03546	6.9
283.00031	1.9
283.02475	73.6
284.03152	31.5
298.04819	55.9
299.05603	100.0
300.06058	9.1
373.11850	2.1
402.56451	1.8
415.22775	2.1
503.11926	52.5
504.12341	7.6
505.33826	1.9
535.56689	2.1
571.30951	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	548.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46861	0.2
59.00956	0.4
59.01250	6.5
60.01597	0.7
60.99178	0.2
61.01684	0.4
61.98703	100.0
62.98395	0.3
69.03340	0.2
71.01260	2.4
72.01603	0.3
72.10883	0.2
73.02824	1.6
83.01264	0.4
85.02847	0.7
87.00759	0.5
88.98672	0.9
89.02309	1.7
93.03387	0.4
95.01237	0.2
96.95913	0.2
97.02858	0.5
98.20607	0.5
101.02319	1.4
107.83379	0.2
111.92869	0.4
113.02316	0.9
115.91974	0.5
118.97980	0.5
119.03394	0.3
125.02346	0.4
135.04437	0.5
149.04477	0.7
161.02403	0.2
173.04550	0.3
179.03441	0.2
179.05577	0.3
183.60144	0.2
187.03938	0.2
187.07683	0.2
191.05605	1.0
201.05496	0.2
202.06360	0.3
213.05768	0.2
213.08902	0.2
229.08687	0.5
230.09453	0.3
255.10461	0.3
256.21414	0.2
298.12131	0.4
301.20132	0.2
327.16156	0.7
347.58041	0.2
385.67612	0.2
434.59695	0.2
489.21606	0.3
507.22668	0.7
532.72571	0.2
549.23279	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
58.00454	1.5
59.01250	100.0
60.01600	0.9
69.35987	1.5
69.36414	1.5
71.01252	20.4
72.99191	1.4
73.02815	0.7
80.96399	0.4
81.49917	0.4
83.01278	0.5
85.02829	2.8
85.94183	0.4
87.00744	1.0
89.02316	33.3
90.02663	0.6
95.01267	1.2
98.20599	0.9
99.04406	0.5
101.02323	10.9
101.36932	0.4
113.02337	10.7
113.03075	0.6
114.01269	0.4
119.03394	13.7
125.02381	0.7
131.03419	1.9
137.08737	0.4
143.03410	3.5
148.22720	0.4
149.04491	2.0
161.04488	3.1
178.36375	0.5
178.38054	0.4
179.05527	11.0
191.05591	0.8
292.28223	0.4
351.67599	0.4
361.81094	0.4
401.14508	0.6
468.33313	0.4
545.19189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71780	1.7
56.81416	1.4
57.03326	4.0
59.01252	28.5
60.01640	1.4
61.45098	1.5
61.98697	3.8
67.01746	2.2
71.01250	14.0
71.21524	3.2
71.74720	1.6
73.02820	2.6
75.43159	1.7
83.04864	3.1
85.02803	6.0
87.00748	5.4
89.02297	7.5
93.03332	8.0
96.95860	2.6
101.02332	10.2
111.08050	12.4
113.02316	4.9
119.03387	1.8
119.23404	1.7
135.04463	1.9
137.09616	2.1
150.36140	1.7
155.03387	1.8
161.04501	3.6
167.10785	1.8
171.10172	2.5
173.04486	11.2
174.06892	1.9
177.01921	1.7
177.12733	2.5
179.05533	3.1
179.10649	3.2
186.06735	1.8
191.05525	15.6
195.13869	9.1
197.11723	3.1
198.99907	1.9
215.07098	3.0
229.08615	1.9
247.20544	3.0
253.09236	15.8
254.09721	2.1
273.18481	1.9
281.15320	1.7
291.19653	100.0
292.20132	11.7
309.20676	11.1
328.38779	1.7
345.05423	1.8
364.39828	1.7
411.25720	1.6
527.04034	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	545.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75464	0.8
55.01752	1.3
57.03325	51.4
57.69794	0.8
58.00488	0.9
58.03677	1.4
59.01249	57.0
60.01581	1.2
61.28895	0.7
61.98695	0.9
67.01759	0.9
69.03315	2.0
70.65011	2.7
71.01254	39.6
72.99167	1.9
73.02821	20.1
73.54621	0.7
75.00760	1.2
80.96372	2.1
81.03323	2.2
83.01254	7.0
85.02821	19.8
87.00739	6.0
89.02321	13.5
93.03333	3.1
95.01241	2.5
96.95851	1.5
97.02799	3.4
99.00758	8.3
99.04395	26.1
101.02325	42.2
109.02835	1.8
109.72673	0.9
111.00768	1.0
111.04435	1.3
113.02327	16.3
115.00266	1.2
115.03890	1.6
115.83694	0.8
119.03402	1.1
121.02833	0.8
123.04390	1.4
124.01536	1.6
125.01465	1.4
125.02336	22.8
126.02664	0.9
127.03866	1.0
129.01782	1.0
131.03354	2.4
133.02882	1.1
134.03674	1.6
135.04390	1.4
137.02345	0.9
143.03363	3.6
146.03627	1.7
147.04398	2.7
149.04448	4.1
151.03874	1.8
155.03421	1.0
159.02869	3.5
161.02376	1.0
161.04468	18.9
165.05551	1.1
173.02353	1.0
173.04442	2.0
191.05525	20.4
229.01292	1.8
233.06514	2.7
265.05118	2.4
266.05878	4.8
267.06805	1.0
269.10303	18.6
278.11044	0.9
281.08170	2.0
281.63257	1.0
293.04565	1.3
294.05243	2.0
309.07486	2.1
353.06601	12.6
354.06918	1.6
383.13489	19.0
384.13770	1.9
401.14514	100.0
402.14847	8.1
443.15665	7.2
527.17651	2.3
545.18512	12.1
546.19043	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	545.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49482	0.3
57.03322	0.7
57.95025	0.3
58.00469	1.9
59.01249	100.0
60.01586	1.3
60.29345	0.3
61.98714	0.3
67.01753	0.6
69.54964	2.2
69.55379	0.5
71.01252	23.4
72.01594	0.5
72.99181	1.2
73.02822	0.5
81.03352	0.6
83.01239	0.8
83.04905	0.4
84.03659	0.3
85.02821	4.6
87.00745	3.4
89.02316	36.1
90.02666	0.5
93.03326	3.9
95.01295	0.9
101.02321	10.6
111.04435	0.9
113.02331	9.5
113.03082	0.6
119.03397	12.9
125.02401	0.4
131.03427	1.8
137.02403	0.4
143.03386	3.2
149.04439	1.9
155.03445	0.6
161.04472	3.5
173.04466	8.0
173.05830	0.6
174.04880	0.4
179.05533	14.1
180.05876	0.4
191.05534	8.1
191.07146	0.5
209.06149	0.3
211.07611	0.6
216.70186	0.4
221.19525	0.3
222.65546	0.4
225.09251	0.6
227.10703	0.4
239.07329	0.4
255.10353	0.4
283.13559	1.2
309.15231	0.4
311.12946	1.4
312.13376	0.4
327.12482	1.0
327.16180	1.8
353.14026	1.8
371.11096	0.5
371.15131	3.0
372.15732	0.3
439.12836	0.4
545.20117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01248	9.6
59.46820	0.5
60.99178	3.3
65.03856	0.4
67.01759	10.2
69.03325	3.1
70.52760	1.7
71.01261	4.5
72.05482	0.4
73.02809	0.9
79.49660	0.4
81.03339	2.8
83.04884	2.4
85.02822	7.6
87.00748	27.5
88.01123	0.6
93.03333	70.5
94.03658	2.8
98.19865	0.5
99.00764	1.0
99.04392	0.7
101.02309	0.7
105.03316	0.7
109.02861	2.1
111.00705	0.6
111.03645	0.6
111.04407	10.7
113.02317	1.6
113.63992	0.4
115.03884	0.5
121.02808	0.5
125.02332	0.5
127.03899	2.1
129.01814	1.6
132.02061	0.9
133.02856	7.8
134.03648	2.8
135.04419	15.4
137.02348	2.7
139.03848	0.5
143.03342	0.6
149.15472	0.5
151.03859	0.6
155.03397	3.5
158.03586	0.5
159.04395	2.0
160.01558	2.0
161.02351	4.3
171.02998	0.5
172.05257	2.2
173.04485	43.3
173.05904	2.3
174.04810	1.5
174.06674	2.2
177.01866	4.2
178.02664	2.8
178.06255	0.7
179.03439	5.4
179.07024	0.6
183.04442	0.8
185.05968	0.6
186.06790	7.1
187.07588	5.2
189.09108	0.6
191.05547	100.0
192.05873	3.7
193.08640	0.7
199.03682	0.5
200.04681	2.1
201.05487	4.5
201.09132	3.7
211.07607	0.9
212.08376	0.9
214.06329	9.0
215.05640	1.4
215.07179	10.4
216.07426	0.9
222.57074	0.4
228.07724	0.6
229.08672	11.5
230.09415	3.9
255.06575	0.9
256.07343	2.7
273.07599	0.6
274.08527	2.7
283.13220	0.5
308.08990	1.1
309.14954	1.0
311.12692	2.6
327.15958	1.1
351.07224	5.9
352.07706	1.0
353.10104	5.0
353.14029	0.7
354.10449	0.9
366.09604	2.4
367.10342	2.3
371.11121	1.0
371.14859	4.8
418.50452	0.5
485.31137	0.8
545.16382	19.0
546.16614	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	545.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
58.00468	0.2
59.01247	3.4
60.99169	1.3
61.98696	0.4
65.03847	0.3
67.01758	4.5
69.03345	1.1
71.01253	2.9
71.50613	0.3
72.99171	0.3
73.02817	0.7
75.00739	0.2
78.58646	0.2
81.03331	1.3
83.01277	0.4
83.04897	1.2
85.02822	7.2
87.00747	7.3
89.02316	1.1
90.98460	2.2
93.03333	25.3
93.86873	0.2
94.03671	0.8
95.01251	0.2
97.02835	0.3
97.06428	0.2
99.00742	0.7
99.04395	0.8
101.02343	0.6
109.02843	1.0
111.04398	4.2
113.02309	0.8
115.03880	0.3
117.03299	0.2
119.03381	0.3
127.03912	1.9
129.01810	0.3
131.03395	0.3
133.02827	0.3
134.04590	0.4
135.04388	1.0
137.02336	0.7
143.03406	0.4
145.91969	0.2
149.02356	0.2
149.04442	1.1
151.03842	0.2
154.99748	0.3
155.03384	1.0
161.02394	1.2
161.04506	0.2
163.03918	0.9
164.04283	0.3
166.05026	0.8
171.02939	0.5
172.05214	0.2
173.04468	11.3
174.04886	0.4
174.94563	0.2
178.06308	0.4
179.03465	0.4
179.06693	0.5
180.06696	0.2
181.12224	0.4
185.06000	0.2
187.03905	0.5
191.05534	100.0
192.05867	4.1
193.08563	1.0
194.08986	0.5
195.09279	0.3
199.03940	0.3
200.04706	0.2
202.06152	0.2
209.05850	0.2
211.03831	0.2
211.07593	0.4
223.07523	0.3
225.05594	0.3
225.09242	0.4
225.11162	0.4
227.10637	0.2
229.08745	0.2
233.06094	0.3
235.07669	0.2
239.07019	0.3
249.05626	0.3
251.07101	0.7
253.08812	0.5
254.09448	0.3
255.10020	0.4
255.13876	0.7
267.06668	0.3
267.10083	0.3
277.05194	0.6
279.06619	1.4
279.09763	0.2
281.08154	0.3
282.05267	0.2
283.10074	0.3
283.13345	1.5
284.13724	0.3
295.06100	0.4
295.09637	0.3
297.07715	0.8
298.11984	0.2
305.04459	0.8
306.05298	0.4
307.05875	0.4
308.03284	0.4
309.11679	0.2
309.15002	0.7
311.12793	1.3
312.09964	0.8
321.07727	0.4
323.05612	2.1
324.06015	0.2
327.12341	1.9
327.16061	1.6
328.12936	0.3
328.16400	0.3
337.07034	0.3
338.07941	0.7
339.08438	0.4
339.72113	0.2
353.10260	15.3
353.14044	2.7
354.10596	1.6
354.14514	0.3
371.11136	0.9
371.15039	2.6
372.11429	0.4
372.15665	0.4
503.19962	0.2
545.15900	1.8
545.28931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38478	0.5
59.01244	4.4
67.01777	0.7
69.03322	0.5
69.22889	5.7
71.01244	2.5
75.30268	0.5
77.03841	2.0
81.03356	0.9
83.04898	2.2
85.02812	2.5
87.00743	5.9
89.02293	0.8
89.03895	0.6
93.03331	9.9
95.04900	5.0
99.00800	0.6
99.32849	0.5
105.03336	16.8
105.04024	1.1
106.03671	0.7
109.02875	0.7
111.04404	6.9
121.02827	2.1
123.04429	1.7
127.03899	1.0
129.01833	0.8
132.02028	0.8
133.02844	100.0
134.03693	13.8
135.04410	30.9
135.05461	1.2
136.04758	1.3
137.02345	10.7
139.03893	3.1
149.02281	0.6
149.04475	0.6
150.03093	2.1
151.03932	0.6
155.03412	7.3
161.02361	0.5
163.03880	2.1
165.01933	0.6
173.04463	22.5
174.04831	0.8
177.01849	88.6
178.02618	38.7
178.06149	2.7
179.03400	19.7
180.03810	1.1
186.06712	1.3
187.07515	0.9
191.05537	21.5
193.05061	0.6
193.08618	13.1
194.09093	0.7
201.05490	0.5
201.09137	0.7
211.07565	1.6
212.08298	0.8
214.06306	1.3
215.07005	0.9
225.09171	2.1
226.09933	0.7
227.10791	0.6
229.08765	0.7
237.09370	0.5
239.07150	1.1
241.08617	0.6
253.08577	0.6
254.09473	1.6
255.10350	0.9
255.13976	1.9
280.11194	0.7
283.13364	4.3
309.14987	1.5
311.12982	3.8
327.12308	6.5
327.16049	6.5
328.12778	0.7
351.07190	1.8
353.10275	0.6
353.13895	4.8
354.14398	0.7
371.11279	26.0
371.15170	7.4
372.11578	3.6
372.15308	0.9
545.15833	3.2
546.16766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38478	0.5
59.01244	4.4
67.01777	0.7
69.03322	0.5
69.22889	5.7
71.01244	2.5
75.30268	0.5
77.03841	2.0
81.03356	0.9
83.04898	2.2
85.02812	2.5
87.00743	5.9
89.02293	0.8
89.03895	0.6
93.03331	9.9
95.04900	5.0
99.00800	0.6
99.32849	0.5
105.03336	16.8
105.04024	1.1
106.03671	0.7
109.02875	0.7
111.04404	6.9
121.02827	2.1
123.04429	1.7
127.03899	1.0
129.01833	0.8
132.02028	0.8
133.02844	100.0
134.03693	13.8
135.04410	30.9
135.05461	1.2
136.04758	1.3
137.02345	10.7
139.03893	3.1
149.02281	0.6
149.04475	0.6
150.03093	2.1
151.03932	0.6
155.03412	7.3
161.02361	0.5
163.03880	2.1
165.01933	0.6
173.04463	22.5
174.04831	0.8
177.01849	88.6
178.02618	38.7
178.06149	2.7
179.03400	19.7
180.03810	1.1
186.06712	1.3
187.07515	0.9
191.05537	21.5
193.05061	0.6
193.08618	13.1
194.09093	0.7
201.05490	0.5
201.09137	0.7
211.07565	1.6
212.08298	0.8
214.06306	1.3
215.07005	0.9
225.09171	2.1
226.09933	0.7
227.10791	0.6
229.08765	0.7
237.09370	0.5
239.07150	1.1
241.08617	0.6
253.08577	0.6
254.09473	1.6
255.10350	0.9
255.13976	1.9
280.11194	0.7
283.13364	4.3
309.14987	1.5
311.12982	3.8
327.12308	6.5
327.16049	6.5
328.12778	0.7
351.07190	1.8
353.10275	0.6
353.13895	4.8
354.14398	0.7
371.11279	26.0
371.15170	7.4
372.11578	3.6
372.15308	0.9
545.15833	3.2
546.16766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06394	0.6
55.50532	0.6
57.03317	1.0
59.01249	15.7
61.98666	1.3
62.94636	0.6
64.55093	0.6
67.01754	2.3
68.99603	0.7
69.03342	1.1
69.81027	0.8
69.81318	4.1
71.01262	6.5
73.02813	1.4
77.03832	2.1
81.03344	2.0
83.04890	3.3
85.02818	6.1
87.00748	19.1
89.02332	1.5
89.03822	0.8
90.98454	1.2
93.03336	19.7
95.01221	1.0
95.04889	5.0
99.00763	0.8
101.02330	2.5
105.03336	16.2
106.04153	1.0
107.04900	1.0
109.02826	2.0
111.04404	11.1
113.02339	1.0
119.03402	0.9
119.08557	0.7
121.02798	3.5
123.04428	1.7
127.03914	2.2
129.01869	1.3
133.02849	100.0
134.03688	20.8
135.04417	80.9
136.04755	3.2
137.02338	16.9
139.03914	4.5
146.94716	0.6
150.03110	1.9
151.03886	1.5
155.03391	11.3
159.04457	1.0
161.02350	1.4
161.04472	1.1
161.43761	0.6
163.03899	4.7
172.05257	0.7
173.04472	33.6
173.05803	1.3
174.04845	1.3
174.06720	1.0
177.01851	92.5
178.02623	48.9
178.06093	4.1
179.03413	44.0
179.06836	1.1
180.03781	2.1
183.04373	0.6
185.09741	0.7
186.06770	6.9
187.07443	2.0
187.61655	1.0
191.05534	37.9
192.05872	1.3
193.05064	0.8
193.08621	24.9
194.08968	1.8
197.06238	0.8
198.06833	0.7
199.03906	0.7
200.04846	0.9
201.05482	2.4
201.09221	1.6
211.07564	1.2
212.08302	0.8
214.06290	13.4
215.07086	7.3
225.05385	0.9
227.03372	1.1
229.08691	7.4
230.09348	1.7
255.13873	1.5
256.07339	1.5
267.10306	0.8
273.07700	1.0
274.08386	1.8
283.13327	1.9
299.16678	1.1
309.14917	1.1
311.12915	4.6
325.14905	0.8
327.12350	10.6
327.16074	3.6
328.12827	1.5
351.07333	1.0
353.13882	8.2
367.10275	1.0
371.11221	53.2
371.15128	8.5
372.11499	6.4
372.15289	0.9
485.31442	0.8
522.43958	0.7
545.17407	5.3
545.26575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03323	0.9
58.00460	0.3
59.01252	3.5
60.01595	0.2
60.99176	1.3
65.03825	0.3
67.01761	5.0
69.03325	1.4
70.28437	0.2
71.00856	0.2
71.01245	2.9
71.04906	0.2
71.30475	0.3
73.02811	0.4
81.03341	1.3
83.01253	0.3
83.04907	1.1
85.02823	5.6
87.00747	11.0
88.01012	0.2
89.02293	0.5
89.03813	0.1
90.98479	1.0
93.03332	31.5
94.03673	0.8
95.01299	0.2
95.04874	0.2
96.95885	0.6
97.02778	0.2
99.00739	0.8
99.04397	0.6
99.94992	0.2
101.02331	0.7
105.03364	0.8
109.02827	1.6
110.03065	0.2
111.04404	4.6
112.04775	0.2
113.02338	0.8
115.03906	0.3
119.11578	0.2
121.02821	0.3
123.04412	0.2
124.01651	0.2
125.02405	0.2
127.03895	1.4
127.75244	0.2
129.01834	1.0
132.02031	0.6
133.02846	7.9
134.03676	1.6
135.04419	5.3
137.02325	1.9
139.03912	0.4
143.03381	0.5
149.04468	0.3
150.03185	0.3
151.00270	0.2
151.03920	0.4
155.03409	1.5
160.01556	2.1
161.02348	5.3
162.02692	0.4
163.03891	0.4
164.04718	0.2
171.02985	0.4
172.05200	0.2
173.04468	22.6
174.04820	0.7
177.01857	2.9
178.02646	2.3
178.06294	0.4
179.03406	2.5
179.07024	0.3
184.23859	0.2
185.05984	0.2
186.06776	1.3
187.07501	0.5
191.05534	100.0
192.05884	3.7
193.08611	0.7
200.04778	0.3
201.05585	0.3
201.09238	0.3
214.06296	2.6
215.05276	1.7
215.07446	1.1
225.09396	0.2
227.10803	0.2
229.08630	0.9
230.09506	0.5
255.10333	0.2
256.07401	0.2
269.11768	0.2
273.07806	0.3
274.08450	0.3
283.13458	0.7
296.44751	0.2
299.16605	0.3
308.08948	0.3
309.14996	0.4
311.12949	0.7
327.12418	0.6
327.15991	0.7
351.07175	4.4
352.07626	0.4
353.10287	6.4
353.14081	0.9
354.10638	0.5
366.09528	0.8
367.10355	0.7
371.10944	1.0
371.15311	1.8
372.15683	0.2
375.57642	0.2
413.21915	0.9
435.20148	0.2
479.22791	0.2
507.22296	0.4
545.16455	4.4
546.17261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03333	0.4
59.01249	8.8
59.01532	0.5
60.40146	0.3
60.99207	0.5
61.56884	0.2
65.75018	0.3
67.01762	2.8
67.37817	0.3
69.03351	0.9
69.86472	0.6
69.86861	0.9
71.01251	2.3
73.02850	1.1
81.03349	0.7
83.01264	0.4
83.04926	1.1
85.02821	10.2
86.03159	0.4
87.00750	15.8
89.02305	0.4
93.03334	17.3
99.00809	0.4
99.04417	1.0
101.02343	0.6
105.03378	0.6
108.02085	0.3
109.02858	1.0
109.70451	0.3
110.78277	0.3
111.04397	3.5
113.02337	0.8
116.38686	0.2
116.92755	0.6
119.03387	0.4
125.02393	0.3
127.03912	2.7
129.72261	0.3
130.04201	0.3
132.02052	0.7
133.02843	5.5
134.03665	0.8
135.04411	5.7
136.04718	0.3
137.02364	1.8
138.56900	0.3
139.47528	0.3
151.03925	0.7
155.03413	1.6
158.03694	0.4
159.04453	1.1
160.01559	2.7
161.02344	6.9
163.03963	0.4
164.04755	0.4
171.02917	0.8
172.05240	1.2
173.04472	15.1
173.05882	0.8
174.04727	0.4
174.06761	0.6
177.01848	2.1
178.02672	0.3
179.03433	1.3
179.07011	0.4
183.04462	0.5
186.06808	4.9
187.07513	1.6
191.05536	100.0
192.05901	3.9
200.04675	1.2
201.05553	1.7
201.09106	1.7
211.07661	0.6
212.08371	0.4
214.06282	7.5
215.07074	5.5
216.07527	0.4
225.05434	0.4
227.03386	0.4
227.07088	0.3
229.08638	5.4
230.09381	1.5
233.06660	0.4
255.13885	0.5
256.07388	0.9
273.07733	0.4
274.08401	1.4
283.13345	0.5
308.08926	0.5
309.14886	1.0
311.12912	2.1
327.15918	0.8
345.68820	0.3
351.07178	1.2
352.07889	0.7
353.10123	3.9
353.13922	2.9
354.10321	0.7
366.09418	1.3
367.10040	0.9
371.11273	0.5
371.15073	3.7
372.55670	0.3
423.05542	0.3
503.32327	0.5
545.16388	10.9
546.17169	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	543.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.6
57.03318	5.0
58.00460	2.6
59.01249	100.0
61.98693	6.6
69.03306	1.9
69.74189	10.0
71.01250	81.8
72.04389	1.6
72.44171	1.7
72.44601	1.8
72.99174	4.6
73.02433	1.2
73.02817	29.0
74.98505	1.6
75.00752	2.2
79.95605	3.1
80.96394	15.2
81.03318	2.3
83.01261	12.0
83.04906	1.9
83.81767	1.5
85.02820	29.7
85.99950	1.8
87.00753	12.3
89.02318	62.9
93.03330	8.7
94.61829	1.6
94.97963	4.7
95.01272	2.2
97.28081	2.0
99.00750	13.8
101.02319	44.7
109.02787	2.6
111.00771	5.5
113.02332	17.2
115.03890	1.8
119.03364	2.6
125.02335	5.2
125.82705	1.6
131.03397	39.4
132.03705	2.3
133.01320	7.5
133.02852	7.5
134.03606	4.7
135.04417	13.4
137.02348	3.8
143.03407	2.3
148.05183	6.6
149.02419	1.8
149.04451	48.2
154.99805	4.3
155.03401	1.9
161.02371	13.0
161.04387	3.7
161.13295	2.1
162.02678	2.9
163.07588	4.6
163.11169	1.9
164.98532	2.1
173.04504	14.9
177.01843	2.4
179.03403	9.2
179.10651	7.9
180.11040	1.9
181.12263	9.4
191.05542	71.6
192.05872	3.4
203.05524	4.3
205.12262	4.1
224.12592	1.8
225.00659	3.3
225.11296	2.9
231.10262	1.8
233.06638	23.7
249.11226	2.9
271.02493	5.0
275.07693	13.6
280.11914	2.5
293.08807	2.9
299.02078	9.6
300.02509	6.3
325.14493	1.7
339.50940	1.9
343.62738	1.9
349.93274	1.9
369.13419	2.1
370.18317	2.1
376.35269	2.1
412.19891	5.6
436.85873	1.9
446.13742	1.9
464.41019	1.9
507.22720	2.3
543.21161	22.5
544.20990	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12391	0.4
51.20299	0.3
55.01774	0.7
57.03344	1.8
59.01250	17.1
60.26049	0.4
61.98722	1.7
67.01783	0.5
69.03352	1.1
71.01257	11.9
72.99216	0.6
73.02801	2.3
74.83820	0.4
77.83219	0.3
78.01295	0.4
80.02588	0.7
80.96423	0.5
81.03327	2.0
83.01263	2.7
83.04893	1.9
85.02823	3.5
87.00767	2.3
89.02320	10.5
89.02843	0.6
93.03370	1.5
95.01318	1.4
95.04944	1.2
97.02827	2.7
97.06471	4.9
99.00807	0.8
101.02325	12.0
106.04140	0.9
109.06505	1.1
110.03630	0.6
111.04405	1.0
113.02322	5.4
113.02950	0.4
113.06003	0.5
119.03411	3.0
119.08566	1.0
121.02880	0.5
121.06514	1.3
123.04414	3.1
123.08019	1.9
125.02365	0.8
125.06009	1.0
125.09628	5.0
127.07578	0.6
131.03378	0.6
131.04929	0.4
133.04950	0.6
135.04533	0.6
135.08086	1.1
137.05989	0.6
137.09644	3.4
141.09082	0.6
141.12752	1.1
142.02603	0.8
143.03464	1.2
147.08125	0.7
149.04460	0.4
149.06050	0.5
149.09653	0.5
152.99576	0.4
155.03496	0.5
161.02342	1.2
161.04457	5.0
161.05719	0.6
161.09633	0.8
162.10472	0.4
163.07590	1.1
163.11198	7.3
164.08366	0.5
165.08994	0.5
165.12753	2.4
167.10753	0.7
171.10201	1.3
173.04509	2.9
173.09666	0.5
175.11168	1.2
177.12723	0.5
179.05582	1.5
181.12289	1.3
185.06012	1.3
185.11751	6.7
189.05508	2.2
189.12787	0.6
191.05531	5.5
191.10692	1.1
191.14345	9.2
192.14699	0.5
193.12311	0.8
197.06041	0.5
200.08354	1.5
201.05464	0.7
207.10207	3.7
209.11771	18.9
210.12030	1.0
211.13391	1.9
213.09081	0.6
217.15930	1.7
225.11285	4.3
226.11839	0.5
227.07240	0.5
227.12808	0.9
227.83940	0.4
228.07907	3.6
229.08517	1.1
235.08273	1.3
237.11282	13.3
238.11737	1.4
245.19086	17.5
246.19440	1.5
247.17126	0.7
253.09259	40.0
254.09535	1.9
255.06592	0.5
257.11810	0.7
263.20129	5.1
271.16956	2.2
281.21252	1.1
289.18091	82.4
290.18430	9.3
307.19131	100.0
308.19446	11.1
316.24570	0.4
325.14505	4.9
325.20239	0.9
326.14783	0.8
445.20316	0.5
525.26605	0.6
543.18176	1.4
543.27960	4.3
544.28693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30903	10.9
59.01238	11.7
69.22961	15.3
69.23358	100.0
71.01253	29.5
81.03320	44.5
89.02309	41.1
93.08526	11.2
104.25354	12.7
113.05949	25.4
119.03351	14.8
122.43546	11.1
125.02346	75.8
157.04976	55.5
176.74481	12.3
179.05522	24.1
218.80476	16.1
246.02415	10.8
309.42075	12.0
341.10837	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48028	2.8
55.24659	2.5
58.70625	2.8
59.01251	100.0
61.98695	6.5
71.01256	36.6
71.30226	6.4
73.02825	35.7
77.61566	2.9
83.01255	4.9
85.02836	13.8
87.00770	5.6
89.02320	20.0
93.03342	8.2
97.02894	4.2
99.00782	14.2
101.02316	27.6
103.25751	2.6
109.02907	3.3
113.02322	10.6
121.61261	2.8
125.02340	4.8
131.03362	8.8
133.02846	4.8
134.03651	5.6
135.04422	3.6
148.05202	46.5
149.04475	15.6
161.02303	4.3
161.04494	3.8
163.07567	27.3
173.04468	11.6
173.85846	2.8
191.05556	38.2
233.06604	13.1
251.07896	3.0
275.07706	83.7
276.08224	6.3
293.08893	14.7
335.09778	12.3
369.13272	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60386	1.1
57.62906	0.8
59.01248	3.4
62.14021	1.0
62.58180	0.8
65.21853	0.8
70.27206	0.8
70.76052	0.8
71.01250	6.2
73.02802	2.2
78.98451	5.1
79.95603	11.1
80.96387	66.9
85.02821	3.2
87.00744	3.1
94.97957	15.6
96.83611	0.9
96.95876	1.0
97.02833	2.0
97.20206	1.1
98.20587	1.7
101.02321	3.3
106.97949	2.8
122.97475	4.4
125.02327	2.9
127.03906	0.9
134.97496	4.2
136.99049	1.3
139.87338	0.9
148.99060	6.6
152.98549	8.2
164.98544	9.0
171.10199	2.0
173.04459	1.2
182.99658	2.1
191.05467	2.1
192.05803	0.9
206.99612	3.5
225.00705	17.4
226.00977	1.0
233.15488	1.1
239.20088	1.8
243.01692	2.6
245.11786	1.3
299.04446	2.4
348.55136	1.0
477.21750	1.0
539.25256	100.0
540.25531	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	540.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	44.3
61.98707	51.2
70.67823	1.8
71.01257	19.3
71.50534	2.1
73.02810	5.5
75.00681	2.4
83.01255	2.5
85.02811	5.2
87.00742	9.7
89.02328	16.5
93.03327	4.1
101.02334	12.0
109.02783	2.2
110.43080	2.0
113.02300	4.0
119.03422	8.9
119.04918	1.7
120.03698	1.8
120.39095	1.9
121.02877	4.4
125.02306	2.0
126.11961	2.0
131.03302	1.9
132.32146	1.8
135.04420	2.5
137.02191	2.0
149.04465	6.2
151.03915	1.8
151.07634	2.2
157.02971	1.9
161.02419	2.8
161.05983	2.0
165.01831	11.2
172.05048	2.0
173.04445	3.3
174.03151	2.5
174.06563	2.9
175.07549	3.1
176.04465	2.6
179.03487	2.1
187.03876	2.7
187.07426	5.4
188.07887	2.7
191.05527	6.3
194.05698	2.0
200.04691	3.6
201.05450	7.2
201.09134	3.9
202.06062	6.9
203.06903	5.2
204.07837	2.8
205.08351	3.6
214.06241	3.0
215.06740	3.1
227.03426	2.6
229.08691	13.4
230.09210	16.2
231.09839	6.3
247.09563	2.8
248.10210	2.6
255.13974	2.2
263.22308	1.9
271.02463	46.6
272.02933	4.5
299.01941	65.8
300.02582	11.1
314.04324	66.8
315.05048	47.3
316.05423	3.9
328.16779	2.1
346.17557	2.2
390.16379	3.2
407.16391	2.3
410.15247	2.1
477.10367	100.0
478.10657	13.8
508.22910	3.8
539.34076	7.0
540.34412	3.9
541.21393	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43429	1.3
54.72304	1.1
54.77557	1.2
58.00426	2.2
58.61525	1.3
59.01249	29.1
71.01257	27.0
71.48692	2.0
71.49059	1.4
72.99158	1.9
73.02813	8.6
81.03344	1.8
82.09274	1.2
83.01258	5.7
85.02828	8.3
87.00747	5.1
89.01777	1.7
89.02315	29.5
92.54254	1.3
95.01289	2.7
97.02840	4.1
99.00737	1.4
101.02326	20.3
103.84904	1.3
113.02339	14.5
115.03886	1.4
119.03386	4.1
121.02832	1.2
125.02328	1.5
131.03401	1.6
143.03410	6.5
149.04478	1.5
151.03934	2.4
153.57005	1.3
161.04465	15.7
179.05524	17.2
191.05519	1.6
195.06497	1.3
197.04509	2.5
221.06624	13.9
263.07639	2.7
323.09735	3.5
341.10919	1.5
377.08536	4.7
379.68250	1.4
413.85596	1.9
503.16180	100.0
504.16544	12.4
539.13806	26.6
539.21472	2.3
540.14148	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	539.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19621	0.6
55.01746	1.7
57.03320	2.6
58.00460	1.1
59.01251	27.8
61.98713	0.8
69.03323	0.7
71.01250	23.8
71.29414	1.1
72.99181	2.6
73.02814	4.5
73.93491	0.6
73.93887	0.5
75.00733	1.2
83.01263	4.2
83.53973	0.6
85.02351	0.9
85.02827	9.1
87.00748	2.5
88.70332	0.9
89.01761	1.0
89.02314	18.7
89.02850	1.2
93.03333	3.9
95.01263	2.8
99.00764	1.9
101.02323	16.4
102.02638	0.8
108.02067	1.4
111.00791	1.2
113.02324	9.0
119.03397	6.1
121.02859	7.5
122.03627	15.7
123.04387	2.0
125.02362	1.0
129.01837	0.6
131.03426	0.6
132.02158	0.6
132.61185	0.6
133.02849	6.2
134.03598	1.0
135.04420	2.1
136.01546	2.4
137.02327	0.8
137.83430	0.6
139.11172	0.9
141.01884	1.1
143.03409	1.7
147.04410	1.0
149.02348	32.7
149.04437	2.3
149.05984	1.7
150.03128	100.0
151.03455	4.4
161.02336	2.0
161.04448	2.5
162.03119	5.9
163.03679	1.0
164.04704	7.1
165.05479	93.6
166.06186	8.4
167.07007	0.9
173.04543	0.7
177.01909	0.7
177.04155	0.8
177.05495	4.7
179.03329	0.7
179.05496	2.5
180.04189	7.6
181.04916	1.4
181.08612	6.2
183.10039	0.6
187.09613	0.8
191.05510	2.4
195.06552	50.6
196.06920	2.6
209.11861	0.7
227.12756	1.3
243.12344	3.6
244.12717	2.2
245.13535	2.7
314.11688	4.4
315.18045	3.6
316.18732	0.8
329.13916	8.3
330.14355	0.9
343.14053	18.1
344.14331	2.2
391.14035	2.4
392.14944	0.7
407.26941	0.6
434.95007	0.6
491.19235	86.3
492.12933	0.5
492.19531	13.7
501.78253	0.6
539.21240	9.9
539.34338	1.4
540.21643	1.3
542.80811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96967	0.7
55.01753	2.4
57.03309	1.9
58.00470	0.7
59.01253	16.3
61.98703	1.1
64.99076	0.7
66.76688	0.7
71.01250	17.3
71.29160	1.4
72.01585	1.0
72.99171	1.7
73.02818	6.5
75.00755	0.8
82.63375	0.7
83.01246	3.9
85.02830	8.3
85.99963	1.0
87.00745	1.6
89.02322	4.7
90.13512	0.6
93.03316	3.6
95.01251	1.0
96.95891	1.1
97.02831	1.2
99.00764	2.2
101.02316	14.1
102.02652	1.0
103.60274	0.8
108.02084	0.7
110.10707	0.6
111.00796	1.5
113.02340	6.2
119.03378	1.7
119.63634	0.6
121.02822	5.5
122.03627	6.1
133.02852	7.4
134.03629	2.0
135.04422	2.3
136.01538	1.1
137.02328	0.9
139.00221	0.8
141.01797	0.7
147.02887	1.0
147.04425	1.1
149.02353	31.3
149.05977	2.9
150.03137	44.1
151.03574	2.5
161.02298	2.0
161.04469	1.8
162.03156	1.4
163.03795	0.8
164.04695	6.1
165.01843	1.0
165.05484	36.7
166.06259	4.6
167.07083	1.2
169.56937	0.7
176.59204	0.6
177.05502	0.8
179.03391	0.7
180.04185	2.7
181.08620	6.0
187.09694	0.9
191.05586	1.4
195.06552	18.6
196.06935	1.0
203.59247	0.7
207.35902	0.8
227.12839	1.8
245.13852	2.4
283.09506	1.0
314.11533	5.5
315.12036	2.2
315.18112	2.4
329.13971	11.7
330.14325	1.3
343.14151	11.7
344.14401	1.6
357.15878	0.8
377.18134	0.8
391.14209	1.2
491.19226	100.0
492.12924	1.3
492.19635	14.2
503.17090	0.8
538.29578	2.0
539.21252	15.3
539.29370	3.9
540.21704	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	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09673	0.7
55.34025	0.6
56.41692	0.8
57.03326	1.1
59.00959	1.3
59.01248	22.9
67.71553	0.6
69.39278	4.5
71.01257	6.6
73.02817	6.5
83.01256	1.3
85.02795	1.6
89.02328	1.9
92.02190	0.9
95.01260	1.1
97.02837	3.3
97.06471	0.8
99.04366	0.6
101.02311	5.5
113.02310	4.4
131.03406	2.5
139.11185	19.3
139.12263	1.0
140.11516	0.9
142.27211	0.6
149.04430	1.6
150.03094	0.7
161.02397	0.7
161.04420	4.1
163.11198	1.0
165.09186	0.9
173.04471	1.4
181.12268	11.9
183.10196	25.5
183.11833	1.3
184.10568	0.7
191.05612	0.8
199.13246	3.5
203.70596	0.6
225.11272	10.5
243.12355	100.0
244.12646	5.8
262.35556	0.7
285.13522	1.4
297.13309	2.1
315.14478	4.7
375.16599	14.3
376.17001	2.0
405.17621	9.5
406.17783	1.0
447.18646	1.8
537.21881	25.0
538.22156	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	537.2551
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01744	2.3
57.03324	1.7
58.00458	1.8
59.01250	49.2
61.98692	4.1
69.03330	1.7
70.52135	1.9
70.52527	1.6
71.01250	30.0
72.99172	3.1
73.02818	10.3
75.00748	1.6
79.05400	2.7
83.01267	4.5
83.04895	1.9
84.68919	0.8
85.02827	13.0
85.06464	3.2
87.00762	4.5
89.02320	25.5
93.03324	2.4
95.01262	2.6
97.02802	0.8
97.06458	3.0
99.00747	6.2
99.42348	0.8
100.31858	0.7
101.02323	24.3
108.19559	0.9
109.02854	0.8
113.02334	14.6
115.03928	0.9
119.03379	7.8
125.02342	1.5
130.99023	0.8
131.03410	1.7
133.02815	0.8
135.04404	2.4
137.02333	0.8
137.05946	0.8
137.09605	1.3
138.85233	0.8
149.04456	10.6
149.09608	2.7
155.14308	8.0
161.02280	1.4
161.04474	2.0
161.05954	1.2
167.10695	1.1
173.04442	2.3
173.05856	0.8
179.03395	1.7
181.15877	5.2
187.03931	0.8
191.05502	3.5
193.08646	1.5
199.13341	20.3
200.13672	1.8
208.70325	0.7
209.04430	1.0
211.09637	0.9
217.08708	1.1
225.14935	9.9
227.07103	1.4
245.08202	1.4
248.77296	0.7
325.14566	1.0
343.15482	1.1
375.23685	1.6
405.21259	100.0
406.21609	11.4
477.23880	1.8
477.30630	2.8
537.17206	1.9
537.25446	38.8
537.32532	4.8
538.25934	7.0
538.33057	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.9
57.03316	2.4
58.00476	3.2
59.01249	52.0
61.98680	2.2
71.01253	49.6
72.99174	2.7
73.02816	6.4
74.06680	1.6
75.00748	2.1
83.01250	3.7
85.02817	12.4
87.00780	1.8
89.02318	47.5
93.03329	2.9
95.01260	3.1
99.00726	2.6
101.02323	24.9
103.79906	1.8
105.36377	1.6
113.02337	16.8
119.03406	17.4
119.04816	1.7
121.02848	16.4
122.03641	12.4
125.02309	2.5
129.01814	4.1
131.03426	1.9
133.02872	3.0
134.03648	24.9
135.04446	4.3
137.02303	3.8
142.89874	1.6
143.03439	3.7
147.02898	5.2
149.02351	67.3
149.04330	3.5
149.05943	5.7
150.03134	100.0
151.03590	2.8
159.02879	1.8
160.89204	1.8
161.04468	10.8
161.05717	2.2
164.04668	14.3
165.05478	93.3
166.05817	5.2
178.02563	9.4
179.03185	2.1
179.05504	19.6
179.07079	4.7
180.04161	5.5
191.05482	2.5
193.03166	2.1
193.04979	43.1
194.05254	3.0
195.04820	3.2
195.06569	58.7
196.06862	3.0
197.30418	1.6
204.37733	1.8
225.76944	1.5
243.12236	3.5
254.78217	1.7
273.28516	1.9
282.08966	5.2
283.09735	2.3
312.10068	15.9
313.10370	2.6
323.08441	1.8
327.12350	93.9
328.12888	10.4
341.10294	21.3
342.10574	2.8
354.29938	1.8
375.14508	3.7
389.12555	6.4
420.34744	2.2
489.17682	9.9
537.20404	20.1
549.46210	1.9
559.68311	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	536.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
57.03328	0.5
59.01250	3.3
61.98703	100.0
62.98425	0.2
71.01250	2.0
71.49868	0.3
72.99181	0.4
73.02821	0.8
75.00758	0.5
78.95798	0.2
83.01279	0.2
85.02837	1.1
87.00772	0.4
89.02316	1.3
93.03336	0.3
95.01263	0.2
96.95928	0.3
99.00800	0.2
99.04422	0.4
101.02315	1.5
106.48347	0.2
109.02854	0.3
111.08115	0.2
113.02321	0.9
118.97940	0.2
119.03394	0.4
121.02850	0.2
122.98781	0.2
125.02271	0.2
131.03345	0.2
133.02885	0.4
135.04442	0.7
136.01627	0.2
149.02419	0.2
149.04471	1.0
151.04010	0.2
161.02371	0.3
161.04485	0.3
164.04680	0.9
165.03984	0.5
165.05342	0.2
173.04564	0.5
179.03435	0.3
179.05693	0.2
179.07104	0.7
181.12289	0.4
182.12738	0.2
189.03882	0.2
191.05577	1.8
192.06067	0.2
197.11784	0.2
223.06102	0.2
225.11337	0.6
225.14989	0.2
231.25470	0.2
243.12405	0.3
280.60687	0.2
293.08804	0.4
351.75336	0.2
357.13535	0.6
374.13550	0.5
473.16806	0.3
477.23996	0.2
536.20074	0.4
537.22870	0.2
537.32953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.6
57.03308	10.1
59.01248	54.2
61.02847	3.5
61.98690	7.5
67.01758	3.3
69.03307	12.8
69.61842	12.5
69.62245	6.7
71.01260	26.9
71.04865	5.7
72.99169	12.4
73.02818	31.4
75.00718	5.9
75.38823	2.7
79.04974	5.8
79.05401	74.4
81.03317	8.9
83.04903	18.7
85.02811	19.8
87.00748	13.0
89.02307	30.7
93.03318	16.8
95.04885	13.8
97.02824	4.0
97.06469	28.8
98.03563	3.6
99.04404	8.4
101.02306	19.8
101.38591	3.0
107.01305	3.6
107.04890	9.5
111.04394	8.1
113.02318	34.6
115.03883	21.7
119.03454	3.9
121.02840	3.7
123.04373	4.8
123.08035	3.5
125.02382	4.0
125.05992	15.0
129.01834	3.9
129.05467	3.2
131.03375	8.7
131.08455	3.2
133.02831	7.4
134.03587	7.7
135.04431	27.5
135.08005	4.5
136.23351	3.3
137.02315	5.0
137.09619	21.0
139.03923	5.2
139.11188	6.7
141.05475	19.3
147.08046	9.7
149.04457	100.0
149.09619	79.2
151.00266	7.8
151.11192	4.2
161.02335	11.4
161.04440	6.2
165.05452	4.2
165.09120	17.6
167.10709	33.3
169.05032	4.8
173.04433	13.2
175.07657	4.2
178.02617	5.3
178.56494	3.4
179.03346	8.4
179.10591	3.3
183.10173	6.4
191.05565	17.0
193.05000	15.9
193.08636	59.0
194.05339	5.3
195.06523	12.0
195.10168	4.4
199.13309	3.4
209.08102	20.8
211.09677	10.3
215.12920	3.9
237.07614	7.1
255.08623	15.8
268.24655	3.2
273.09802	25.5
289.05984	4.4
343.29453	3.1
357.49554	3.2
387.13217	4.9
405.14240	38.5
405.21179	11.4
406.14706	5.8
477.30505	5.7
536.31097	5.5
537.18274	23.8
537.32996	33.1
538.18555	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.4
57.03328	0.9
58.00470	1.4
58.14352	0.7
59.01249	32.6
61.98714	5.1
70.27577	0.8
70.51556	2.4
71.01254	27.0
72.99166	2.1
73.02821	2.7
75.00742	1.4
81.03312	0.7
83.01250	1.1
85.02806	6.0
87.00747	2.6
88.76090	0.7
89.02318	30.3
93.03328	3.3
95.01237	1.7
97.02850	1.0
101.02318	14.9
101.02934	1.2
109.02876	0.9
113.02334	8.7
117.03328	0.8
119.03390	12.4
120.03756	0.8
121.02832	5.7
122.03628	14.8
123.04401	1.1
125.02290	0.8
129.01825	2.1
131.03398	1.6
133.02890	2.4
133.65186	0.7
134.03627	12.0
136.01590	1.5
137.02345	2.2
139.03903	0.7
143.03394	2.2
146.03633	1.8
147.02907	3.6
147.04085	0.7
149.02339	22.3
149.04434	2.7
149.05977	2.4
150.03130	94.8
151.03464	4.7
161.04434	4.6
162.03233	1.7
164.04707	6.2
165.05482	100.0
166.05803	4.1
177.05505	1.8
178.02628	6.6
179.05525	10.6
179.07094	3.1
180.04207	7.4
191.05562	2.6
193.04988	21.2
194.05380	1.3
195.06551	63.0
196.06868	3.5
243.12358	1.2
283.09882	0.8
287.57141	0.8
312.10043	3.2
327.12360	16.3
328.12708	2.0
339.12415	1.1
341.10156	1.0
375.14688	1.1
389.12451	1.8
489.18042	2.4
537.19342	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	535.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88587	1.9
53.61730	2.0
55.22283	1.9
55.99071	2.0
57.52171	2.0
59.01254	100.0
61.58689	2.2
61.98693	3.1
69.03318	3.2
71.01250	48.3
71.29043	3.0
72.99194	4.3
73.02821	65.5
75.00735	4.7
79.62318	2.1
83.01241	20.8
84.00811	2.0
85.02815	5.9
87.00729	3.2
89.02306	10.0
101.02331	61.3
102.02692	2.2
113.02327	17.6
119.03395	6.3
120.76875	2.1
125.02282	3.4
131.03375	2.8
143.03426	5.3
149.04422	10.7
155.03351	2.8
161.04472	18.8
191.05528	6.0
203.05649	2.8
221.06610	4.4
260.44681	2.1
287.18561	6.5
364.57275	2.3
397.08435	2.4
431.22696	4.9
491.25018	43.1
492.25241	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	535.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.1
56.01932	1.9
57.03306	3.0
58.00455	2.5
58.53396	1.7
59.01251	100.0
60.90466	2.1
61.98693	7.4
68.08611	2.3
69.03349	2.2
69.23389	5.3
69.23798	13.7
71.01252	53.4
73.02818	61.3
75.00747	5.3
79.68548	2.0
83.01254	14.6
85.02815	8.5
87.00742	5.9
89.02319	23.2
93.03349	3.0
95.01272	3.3
101.02328	60.1
113.02317	21.9
119.03381	11.5
121.02686	2.1
125.02351	2.2
131.03400	5.8
133.02831	3.7
135.04395	4.3
143.03377	5.7
144.38588	1.9
146.03647	5.4
147.04321	2.0
149.04469	17.5
151.03896	3.3
161.02406	4.4
161.04453	23.7
161.05952	5.7
165.03975	5.0
173.04498	3.4
174.16096	2.0
179.03404	6.2
179.05617	3.4
179.07056	4.8
181.12273	5.0
191.05551	14.8
192.04144	3.0
193.04990	4.1
219.13872	5.2
221.06558	9.5
225.11331	4.2
237.14928	4.4
241.10870	3.2
269.17606	3.8
340.09396	6.6
355.11783	15.2
361.09470	10.8
373.22015	3.1
373.26105	2.5
396.30914	2.7
491.25061	44.4
492.25195	6.4
535.20660	5.0
535.27808	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	533.2756
Annotation	2'-O-Acetylsordarin
Peak:m/z	Relative Intensity
58.88476	0.2
59.01250	100.0
59.79803	0.1
60.01599	1.0
61.98707	0.3
71.36880	0.2
104.80730	0.2
137.10361	0.2
147.20949	0.2
152.85193	0.2
161.02409	0.4
167.07025	0.2
170.13588	0.2
189.08116	0.2
282.11035	0.2
477.24802	0.2
531.25977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48288	0.7
57.03318	1.0
57.76351	0.9
59.01255	100.0
61.98702	5.8
71.01258	1.6
71.50609	1.0
78.14434	0.8
78.95799	2.4
85.02839	1.2
87.04376	0.8
93.03378	1.2
101.02379	1.2
113.02389	1.0
133.02808	1.1
135.04420	1.2
152.99516	1.6
153.38239	0.9
161.02310	2.0
179.03337	1.1
191.05586	4.2
308.23282	1.2
507.40500	0.9
533.31165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
57.58005	0.7
59.01253	9.6
60.99165	1.6
61.43530	0.8
61.98707	1.1
63.02268	1.7
65.00199	9.0
67.01761	5.6
69.03325	1.8
71.01252	7.2
71.30515	1.4
71.30872	0.7
72.99187	0.9
73.02819	2.6
75.00732	0.8
81.03330	1.2
83.01253	4.9
83.04916	1.5
85.02825	3.8
87.00739	8.7
89.02313	4.1
93.03334	33.5
97.06470	1.0
99.00713	0.8
99.04407	1.2
101.02298	3.5
105.71632	0.7
107.01268	17.0
109.02820	3.0
111.04414	5.1
113.02340	2.8
115.00309	1.4
125.02351	5.3
129.01987	0.8
133.01315	2.2
133.02827	4.7
134.03629	6.0
135.04413	80.8
136.04767	2.9
137.02364	2.2
149.04459	3.9
149.05930	1.7
151.00275	100.0
152.00627	4.8
152.60295	0.7
154.02689	0.7
159.04419	1.0
159.33055	0.7
161.02330	7.1
169.01340	1.4
173.04480	34.6
174.04689	0.8
177.01779	1.2
178.02629	2.9
179.03448	6.5
185.04442	1.2
185.05917	0.8
187.07466	0.8
191.05536	14.5
192.05904	1.0
193.04976	12.5
287.05612	99.5
288.05893	7.6
335.18726	0.8
347.07751	2.3
361.09259	2.7
367.10632	0.9
373.25854	1.5
373.49985	0.7
403.19672	1.0
491.11948	15.2
492.12128	2.2
503.12076	1.0
535.14581	23.3
535.31537	8.7
536.15002	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	535.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	47.3
61.98693	2.6
68.74937	1.5
71.01264	6.8
71.51088	2.0
73.02812	4.6
77.51337	1.3
78.95777	2.5
83.01292	2.0
85.02820	3.5
85.10175	1.6
87.00749	63.7
89.02312	8.8
93.03360	2.3
101.02318	4.2
105.87510	1.5
108.02061	12.1
109.02838	3.6
113.02326	2.6
121.02837	5.0
123.04414	8.9
131.03368	1.9
133.02818	3.8
134.03716	1.5
135.04437	8.7
136.01552	60.0
136.05203	1.5
137.02374	7.9
138.03127	1.6
145.02875	3.9
146.03603	3.7
147.04411	5.2
149.02409	1.6
149.04486	17.7
150.03122	5.6
151.03920	56.0
152.99475	3.2
158.03600	3.3
159.04414	6.0
160.05150	1.9
161.02359	5.3
161.06013	4.2
161.61078	1.4
163.03920	4.8
165.05368	2.5
171.04433	4.1
171.10077	2.1
172.05220	9.0
173.04572	2.8
173.05988	7.4
174.03140	2.3
175.03947	4.9
175.07658	1.8
176.04726	3.4
177.01843	2.9
177.05481	6.1
179.03476	2.6
182.03685	2.7
185.06009	2.3
186.06784	18.8
187.03943	1.5
187.07544	14.6
189.05501	11.0
190.06299	8.5
191.05489	4.4
191.07115	3.9
193.04987	5.0
200.04706	5.5
201.05499	10.2
201.09088	6.6
202.06258	4.7
203.07141	1.9
205.08688	2.5
209.11842	1.8
211.03963	2.1
211.07584	4.9
214.06294	39.8
215.07065	24.0
216.07768	5.9
220.07352	1.7
225.05411	2.2
227.07018	1.9
229.08661	20.9
230.09389	6.3
231.10245	2.8
241.05019	2.1
243.06583	1.5
253.04971	4.5
255.06503	1.9
265.04993	2.4
266.05725	3.1
267.06467	2.5
269.04553	5.0
274.08414	4.6
279.06619	3.1
280.07407	4.3
280.10889	2.3
281.04568	14.4
281.08148	5.2
282.05017	2.1
283.13486	2.5
284.06860	6.1
292.07248	1.6
293.08197	2.1
295.06128	2.1
295.09662	3.8
296.07013	13.8
296.10202	2.2
297.07385	2.4
298.08569	2.1
299.09305	7.3
307.09534	2.1
309.07584	2.5
309.14926	4.2
310.12009	1.8
311.09232	14.2
311.12888	12.6
312.09604	1.9
312.13300	2.0
321.07703	1.8
323.09280	2.2
324.10107	3.9
325.10663	2.4
327.16010	4.8
336.09937	1.8
339.12381	5.4
351.12387	4.0
353.14273	1.6
354.94833	1.7
355.11685	3.3
356.12436	4.4
369.13260	2.0
371.15039	21.8
372.15027	1.8
373.81613	1.4
381.13272	1.5
385.16656	2.8
399.14554	13.7
400.14722	1.8
403.17587	7.7
411.14505	2.2
415.11551	2.1
427.12048	2.0
430.14218	2.3
432.09018	1.5
442.14221	2.4
445.16986	2.0
457.12762	3.3
469.16870	2.3
472.15649	2.0
475.17981	24.7
476.18188	2.9
487.17438	17.7
488.18530	3.7
490.16083	2.9
502.16489	10.9
503.16830	1.6
505.18692	54.7
506.19199	8.8
517.18658	100.0
518.19067	15.6
535.22357	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	533.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05928	0.3
55.01617	0.5
55.01846	0.6
56.02152	0.4
57.03186	0.6
57.03445	1.0
57.63861	0.4
58.00283	0.8
58.00581	1.1
59.00843	1.8
59.01043	13.4
59.01379	31.7
60.01697	0.5
61.98523	0.5
61.98826	1.0
62.08741	0.4
67.55064	0.4
69.03430	0.6
70.63406	0.8
71.00960	5.0
71.01403	16.5
72.99327	1.7
73.02514	1.0
73.02970	3.2
73.38567	0.4
81.44372	0.4
83.01431	1.5
85.02431	1.1
85.02996	4.8
87.00904	0.9
89.01876	3.3
89.02490	15.6
93.03518	1.4
94.56150	0.4
95.01450	1.6
99.00949	1.1
101.01766	1.8
101.02507	12.1
103.04065	0.4
113.01661	0.9
113.02534	6.6
116.92924	0.7
119.02679	0.6
119.03590	5.7
121.02938	0.4
131.03601	1.8
133.03003	0.5
134.03827	0.4
135.04587	0.6
137.02550	1.8
143.03500	0.4
145.02922	0.6
146.03520	0.4
147.47177	0.4
149.04675	3.1
159.04599	1.0
161.02544	1.2
161.04668	0.9
167.10857	0.7
173.04510	2.0
177.16550	0.6
179.03662	1.5
179.05658	0.6
191.05551	4.6
214.50575	0.4
221.15430	7.5
239.16499	2.4
273.09857	0.4
273.72424	0.4
274.43530	0.4
284.13953	0.5
359.15057	1.3
371.24445	0.4
388.52606	0.4
401.21756	100.0
402.22107	12.0
413.21674	0.7
416.15823	0.4
424.07138	0.4
473.23849	0.7
489.23428	0.4
533.25647	17.3
534.26031	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	533.2755
Annotation	2'-O-Acetylsordarin
Peak:m/z	Relative Intensity
54.14114	0.4
54.43444	0.5
55.43946	0.5
59.01252	100.0
60.01595	0.7
61.39967	0.5
70.15533	0.5
86.65885	0.5
128.56929	0.5
169.84424	0.5
192.25279	0.5
229.57141	0.6
276.36792	0.5
289.07639	0.5
371.74811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.6
59.01249	100.0
60.01566	1.1
77.41188	0.4
82.66646	0.5
83.04881	0.5
87.78313	0.4
98.19805	1.4
121.06448	0.9
149.09618	4.2
149.48959	0.5
375.53986	0.6
403.94049	0.5
455.79105	0.5
548.57330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85180	0.5
57.03326	1.6
59.01250	100.0
60.01583	1.2
61.98704	2.1
71.01254	9.7
71.01625	0.8
72.99207	0.7
73.02826	8.9
74.44862	0.5
75.00763	0.7
81.03371	0.5
81.21948	0.5
83.01272	1.1
85.02839	2.2
87.00746	1.1
89.02324	7.5
93.03350	2.4
96.96008	0.6
97.06487	1.0
98.19776	1.3
99.00747	0.7
99.04406	1.8
101.02313	5.1
113.02346	2.7
119.03416	2.2
121.02843	0.7
125.02372	0.6
125.05967	0.5
131.03421	1.8
133.02852	0.8
135.04439	2.5
137.02344	1.1
142.31822	0.6
143.03448	0.9
149.04448	13.1
150.04823	0.6
161.02361	3.0
161.04477	2.2
165.12788	3.4
173.04494	2.8
179.03439	2.1
179.05629	1.1
191.05551	4.7
207.13811	5.9
208.14316	0.8
209.11771	8.0
225.11328	0.8
225.14931	2.3
227.12894	1.0
251.12778	2.9
269.14011	53.0
269.17566	8.7
270.14322	4.1
270.17700	0.6
314.08676	0.5
343.21371	1.0
371.24512	1.1
380.51974	0.6
386.08701	0.6
389.49234	0.7
401.18121	28.6
402.18555	2.8
413.21857	2.3
422.59427	0.7
431.23050	2.4
464.23114	0.6
473.24152	1.9
494.18433	0.6
533.22546	19.4
533.29858	6.4
534.22717	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	533.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96433	1.8
54.37657	1.7
55.01758	2.9
57.03313	5.7
59.01252	100.0
60.01599	2.1
61.98691	7.8
63.74313	1.9
66.16367	1.8
69.03336	2.9
70.02849	3.1
70.81521	1.8
71.01258	40.7
71.50224	2.5
72.99173	3.7
73.02823	28.4
75.00754	4.6
76.09129	1.8
77.66260	1.5
83.01270	9.0
83.04886	10.5
85.02830	12.6
87.00748	6.1
89.02313	26.6
90.59441	1.8
93.03338	5.6
95.01234	2.1
96.00743	2.4
96.19171	2.0
96.70574	1.9
96.95918	1.7
97.02782	2.9
97.06475	2.8
99.00761	4.2
99.04399	2.3
101.02324	44.1
105.03259	2.0
111.04388	2.5
111.08028	3.5
113.02328	17.9
113.03460	2.5
114.01849	4.3
115.03830	2.6
117.01817	2.5
119.03415	9.6
123.04365	2.2
125.02335	31.0
129.10223	2.4
131.03403	7.1
131.04442	4.2
133.02850	8.7
134.03560	3.3
135.04385	6.2
137.02319	2.6
139.22847	2.1
141.09079	1.9
143.03395	2.2
144.90248	1.7
146.03687	1.7
146.05975	4.5
147.04425	2.7
149.04442	18.0
151.11172	3.5
152.03398	3.7
160.01517	3.2
161.02341	6.9
161.04468	12.6
165.03925	2.9
168.11302	2.8
169.01085	2.2
173.04442	7.4
175.03874	5.7
176.04643	2.2
177.01833	5.2
177.09131	5.1
179.03391	4.2
179.07066	2.2
179.10646	2.4
186.12306	2.9
189.03981	6.2
191.05548	23.6
191.07120	4.6
193.04950	5.1
195.10258	5.0
210.12440	7.8
221.06441	2.1
223.42035	1.9
225.05673	2.4
235.06006	5.2
239.09145	15.0
255.02882	2.4
269.13898	5.7
269.17548	2.3
284.03281	2.6
285.04080	2.6
294.76727	2.1
343.21292	10.5
357.19366	2.4
371.13443	9.2
371.20694	5.9
375.20322	10.5
401.17862	4.7
413.21790	7.6
431.22726	4.8
472.21616	2.1
473.23853	13.6
489.10483	2.5
490.23041	15.8
514.48682	2.2
533.16949	15.8
533.29053	9.8
534.17700	3.9
534.25555	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13649	0.3
57.03327	0.5
59.01248	1.6
69.77744	1.7
71.01240	1.5
73.02833	0.5
83.01268	0.3
85.02292	0.5
85.02818	9.9
87.00754	2.6
93.03328	2.8
95.39914	0.3
99.04373	0.5
109.02824	0.8
111.04394	1.0
127.03883	2.3
129.01857	0.4
140.29367	0.3
145.83640	0.3
154.94350	0.3
158.37627	0.3
171.02910	0.6
173.04491	1.0
177.38440	0.4
191.05534	100.0
192.05894	4.1
225.61548	0.3
289.15549	0.3
416.29553	0.3
466.09576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	21.5
59.01252	100.0
68.96588	3.0
71.01254	49.6
71.50180	6.4
72.99187	7.4
73.02814	14.1
73.03209	2.9
75.00740	22.9
85.02834	12.8
87.00780	7.5
87.11774	3.6
89.02315	40.9
93.03374	3.7
96.31847	3.6
99.00735	3.4
101.02317	24.9
102.98462	4.3
111.04417	4.5
113.02325	16.4
119.03389	12.6
120.05686	3.6
129.01831	12.4
133.02907	4.4
133.10191	4.7
135.04370	6.0
135.11687	16.5
143.03590	3.6
146.07245	5.5
147.02882	19.5
149.04439	7.8
158.54909	3.8
159.08107	5.4
161.02298	6.7
161.04492	8.6
161.09619	32.6
165.03999	21.2
173.04617	3.7
179.05554	6.0
179.10706	90.2
180.11060	3.6
189.12880	3.5
191.05530	17.3
203.10690	9.3
221.11842	4.5
223.09703	84.5
224.10091	4.7
285.17123	4.7
353.12482	11.7
371.13504	36.5
385.15118	14.2
443.15427	6.6
533.18689	81.8
533.26672	4.5
534.19128	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	533.1875
Annotation	Kunzeaphlogin A
Peak:m/z	Relative Intensity
55.01769	21.5
59.01252	100.0
68.96588	3.0
71.01254	49.6
71.50180	6.4
72.99187	7.4
73.02814	14.1
73.03209	2.9
75.00740	22.9
85.02834	12.8
87.00780	7.5
87.11774	3.6
89.02315	40.9
93.03374	3.7
96.31847	3.6
99.00735	3.4
101.02317	24.9
102.98462	4.3
111.04417	4.5
113.02325	16.4
119.03389	12.6
120.05686	3.6
129.01831	12.4
133.02907	4.4
133.10191	4.7
135.04370	6.0
135.11687	16.5
143.03590	3.6
146.07245	5.5
147.02882	19.5
149.04439	7.8
158.54909	3.8
159.08107	5.4
161.02298	6.7
161.04492	8.6
161.09619	32.6
165.03999	21.2
173.04617	3.7
179.05554	6.0
179.10706	90.2
180.11060	3.6
189.12880	3.5
191.05530	17.3
203.10690	9.3
221.11842	4.5
223.09703	84.5
224.10091	4.7
285.17123	4.7
353.12482	11.7
371.13504	36.5
385.15118	14.2
443.15427	6.6
533.18689	81.8
533.26672	4.5
534.19128	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	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.3
57.03316	0.7
59.00961	0.6
59.01249	9.5
61.98699	0.9
62.00694	0.3
71.01256	5.8
71.49951	0.4
71.50329	0.3
72.99174	0.6
73.02813	0.9
75.00744	0.4
77.79588	0.3
78.95773	0.9
83.01234	0.8
83.04903	0.4
85.02824	1.4
87.00742	0.8
89.02316	5.3
95.01283	0.4
97.02863	0.4
97.06398	0.3
101.02328	5.6
113.02345	3.4
113.09612	1.5
119.03358	1.4
123.86923	0.3
131.03368	0.7
135.04395	0.4
143.03459	0.7
143.90825	0.3
152.99493	0.7
153.01765	0.3
161.04468	2.7
177.12767	0.6
179.05522	0.8
179.14354	0.7
195.13838	14.4
196.14215	0.7
233.22644	0.3
235.08334	0.3
253.09267	25.0
254.09619	1.4
277.21716	12.6
278.22009	1.3
295.22775	100.0
296.23123	10.1
449.23120	0.4
459.79581	0.3
471.33078	0.4
475.26080	0.4
508.41043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.74125	1.9
57.03317	5.9
59.01249	50.6
61.98703	3.8
69.22424	8.5
69.22853	8.8
71.01255	22.2
72.99178	2.3
73.02816	8.2
75.00745	2.2
83.01218	2.2
83.04910	6.9
85.02834	8.2
87.00780	4.3
89.02327	21.0
91.12923	1.7
93.03345	7.8
95.01267	2.6
97.02856	2.5
97.06503	2.5
101.02310	14.4
103.03874	1.5
107.01289	1.9
111.04434	2.6
112.83310	1.5
113.02313	8.9
117.01870	1.8
119.03374	7.3
121.02850	6.4
122.94463	1.7
125.02328	4.7
131.03484	2.1
133.02846	13.7
133.10126	1.7
133.46225	1.9
134.03259	2.6
135.04395	6.6
137.02357	2.1
143.03429	1.7
149.04442	11.4
150.04739	2.2
151.11203	2.7
161.02364	2.7
161.04480	5.0
163.00272	1.7
166.05112	1.8
173.04515	8.8
175.05074	2.1
177.01851	7.4
177.09140	2.2
178.02333	3.6
179.03426	2.5
179.05540	4.3
179.06967	2.4
185.11916	1.9
189.04037	2.6
191.05582	16.5
192.05861	2.2
195.10214	4.6
211.03941	3.8
227.03416	25.6
228.03796	2.3
229.05040	10.0
239.09326	11.1
255.02972	61.7
256.03336	5.7
257.04587	6.8
269.13632	2.2
283.02560	2.5
284.00061	3.3
284.03262	84.7
285.04016	100.0
286.04385	9.6
318.53009	1.7
343.21350	3.8
353.10406	3.7
359.10538	1.9
371.13226	5.3
401.18027	2.8
413.21835	2.4
489.10370	47.2
490.10797	6.8
533.16132	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	531.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57520	0.3
55.07478	0.3
55.74596	0.3
57.03324	2.1
59.01248	100.0
60.01579	1.0
61.98698	2.5
67.01770	0.3
69.03316	0.6
71.01252	5.5
71.04891	1.2
72.99169	0.8
73.02813	3.1
73.91164	0.3
75.00713	0.4
81.99832	0.3
83.01228	0.5
83.04893	1.0
85.02812	1.6
87.00758	3.9
89.02311	10.6
89.42641	0.3
93.03343	2.5
95.01292	0.5
95.04869	0.5
96.95877	0.7
97.06482	0.4
99.00726	0.5
99.01842	0.3
99.04408	0.6
101.02316	3.5
103.03883	0.6
111.13730	0.3
113.02333	1.7
116.92744	0.3
119.03394	1.5
120.99526	1.2
131.03383	2.8
134.03731	0.4
135.04404	1.3
136.01532	0.4
137.02354	3.1
145.10173	0.4
149.04465	28.7
150.04819	1.1
161.02364	0.6
161.04491	1.1
161.09625	1.2
161.13261	2.8
163.11220	1.6
173.04497	1.9
173.05785	0.4
179.03430	2.7
179.10637	0.4
180.50426	0.3
181.12225	0.7
187.07581	1.8
187.11192	0.9
191.05521	6.1
192.05974	0.4
201.05551	0.5
202.06277	2.0
205.12303	1.8
207.10249	1.4
213.09100	0.4
223.13341	54.2
224.13692	3.9
225.11227	0.7
231.08226	0.3
231.10196	2.0
239.05612	1.3
249.11212	1.3
267.12354	39.6
268.12637	3.1
381.15671	0.8
399.16559	50.9
400.16870	5.7
411.16589	1.8
513.18219	0.9
531.20703	31.5
531.28223	2.8
532.20990	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
57.03317	2.4
58.07446	0.5
59.01249	83.4
60.01583	0.9
60.99169	0.7
61.98700	0.6
69.03301	0.8
71.01250	5.2
71.04881	1.1
71.17860	0.6
71.50508	0.5
72.99207	0.7
73.02816	4.3
75.17244	0.5
77.01669	0.5
83.04875	0.9
85.02839	1.2
87.00740	4.3
89.02314	21.6
90.02687	0.5
93.03328	3.4
95.01230	0.5
101.02324	1.7
103.03875	1.7
111.04388	1.0
113.02308	0.9
119.03385	0.6
121.02868	0.7
131.03400	6.9
133.02866	2.3
135.04414	1.7
137.02344	0.8
139.11214	0.6
149.04459	100.0
150.04831	2.8
151.03860	0.9
152.03435	2.2
155.03404	0.9
161.02370	0.5
161.09644	1.1
161.13266	2.6
163.11150	1.2
164.04655	1.3
173.04456	6.2
177.01823	1.0
179.03445	1.1
179.07057	0.5
179.10774	0.6
181.12231	2.6
183.10175	1.0
187.11148	1.0
191.05540	6.1
192.05942	0.6
193.04881	0.5
205.12282	0.9
207.10228	1.0
223.13344	51.5
224.13651	3.8
225.11255	0.7
243.12370	1.5
249.11536	0.6
267.12375	19.6
268.12662	1.2
327.12146	0.5
381.15662	0.6
399.16565	34.7
400.16891	5.0
487.21518	0.5
529.78217	0.5
531.20825	27.2
532.21295	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
58.00474	1.7
59.01253	81.8
67.01768	7.1
69.03331	5.2
69.16845	14.4
70.89952	1.3
71.01257	29.2
72.99181	3.4
73.02826	12.5
74.90559	1.4
81.03333	3.8
83.01254	4.6
83.04910	1.8
83.72095	1.6
85.02838	14.1
87.00761	6.3
89.02312	18.6
90.98483	4.1
93.03339	39.1
94.03685	1.9
95.01302	1.8
97.02849	5.6
99.00789	2.0
101.02333	21.7
103.03895	20.1
105.03337	3.1
107.04877	1.4
109.87446	2.0
111.04415	5.7
113.02357	3.5
115.03906	1.6
119.03387	9.7
125.02361	19.5
127.03884	2.2
131.03383	2.2
133.02861	24.0
134.03632	2.8
135.02942	1.6
135.04411	6.0
137.02333	6.0
143.03418	2.2
145.05013	3.2
148.05214	40.1
149.04463	8.0
149.05528	1.5
150.48886	1.6
155.03403	4.6
160.01617	2.7
161.02365	5.2
163.06026	18.6
163.07570	18.1
166.99802	1.7
173.04483	100.0
174.04861	5.1
177.01869	17.4
178.02559	3.4
179.03468	3.5
179.07091	1.7
191.05574	36.6
192.05853	1.8
218.50632	1.5
223.13362	6.3
247.08217	4.9
267.12326	4.3
279.24020	1.5
307.10471	10.9
339.08823	7.4
351.07245	6.3
357.09885	6.0
399.16513	5.2
531.14221	2.8
531.21259	3.5
531.28174	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	531.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42188	1.0
57.03317	2.1
59.01250	85.4
60.01580	1.2
61.98695	3.6
63.32639	0.9
69.03335	1.5
71.00949	0.9
71.01256	8.9
71.50073	0.9
72.52398	0.9
72.99168	1.2
73.02816	5.9
75.00741	1.5
79.67676	1.0
81.03332	1.1
83.01251	1.5
83.04889	3.3
85.02809	3.9
86.39194	0.9
87.00735	1.8
89.02322	10.5
93.03341	23.0
94.02854	0.9
95.01214	0.9
96.95872	3.4
99.00739	1.4
99.04362	1.0
101.02334	5.6
109.02853	1.3
111.04403	14.2
112.48363	0.9
113.02343	4.3
118.97971	1.2
119.03368	1.8
119.04853	1.1
125.02325	1.2
131.03389	2.3
133.02878	5.0
135.04401	3.5
137.02325	8.5
137.09523	1.0
138.02670	1.1
139.11179	23.0
140.11484	1.3
141.09103	1.3
149.04433	5.3
149.06003	1.0
155.03403	11.7
161.02313	2.5
161.04549	1.6
165.09099	0.9
173.04494	5.4
177.01840	3.2
179.03400	1.5
179.05411	1.4
181.12273	16.4
183.10187	29.6
184.10486	1.6
191.05554	12.9
193.04877	1.2
199.13297	3.8
207.10065	1.1
209.11842	0.9
223.13271	1.1
225.11292	13.5
243.12352	100.0
244.12691	6.0
257.08115	1.1
267.12189	1.4
336.93640	1.0
339.08588	1.6
357.09830	1.6
375.16602	37.7
376.16898	3.6
381.15671	1.2
399.16534	15.2
400.17041	1.1
531.20880	18.5
531.28632	1.4
532.21112	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	531.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29683	0.8
53.08548	0.9
55.01748	1.4
57.03318	1.8
58.00461	3.2
59.01250	100.0
60.01583	1.1
61.98687	2.8
63.18754	0.7
67.01762	0.8
69.03329	5.7
71.01255	43.9
71.04913	0.8
71.29977	1.3
71.30308	1.3
72.99184	5.7
73.02821	18.3
75.00747	1.3
81.03342	4.1
83.01264	5.8
85.02823	18.9
86.03199	1.0
87.00755	6.1
87.04366	0.8
89.02316	26.8
93.03326	6.6
95.01257	2.5
95.04913	1.4
96.95876	2.4
97.02831	7.7
97.06451	1.4
98.78915	0.8
99.00750	3.0
99.04356	1.0
101.02325	36.1
103.03890	24.4
109.02818	2.4
111.00782	1.1
111.04417	1.8
113.02325	6.7
119.03400	14.2
119.04873	3.3
121.02822	3.4
123.00759	1.4
123.04338	1.0
125.02342	30.0
127.03912	3.9
129.01871	0.9
131.03346	2.4
133.02837	2.6
134.03636	1.5
135.02914	1.0
135.04399	3.7
137.02341	7.3
143.03409	5.6
145.04984	5.8
147.00784	1.2
147.04405	1.4
148.01575	1.1
148.05197	27.5
149.02388	5.2
149.04475	9.3
149.05527	1.7
155.03343	1.5
161.02356	2.5
161.04440	2.2
161.13243	0.8
163.03882	3.4
163.06013	23.6
163.07536	9.6
165.01826	3.2
166.02626	2.4
167.03452	1.0
173.04462	8.3
177.01831	1.0
178.02641	1.1
179.03444	2.1
179.10689	1.8
181.12320	1.0
191.05545	30.0
192.00549	1.0
192.05913	1.2
193.01343	1.3
205.07161	2.0
223.13361	8.6
247.08188	10.8
267.12369	8.2
289.09134	0.9
307.10315	22.0
308.10681	1.0
356.55527	0.8
367.10449	1.1
369.17099	2.4
399.16513	9.0
481.16571	1.0
531.21979	5.2
531.28406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43828	0.4
57.03324	1.3
58.99468	0.6
59.01247	14.8
60.99158	0.6
61.98703	4.2
67.01764	2.7
69.03345	0.6
69.32366	0.5
69.32764	3.5
71.01245	3.9
73.02812	2.0
75.02615	0.4
77.03825	1.9
81.03361	0.7
81.31184	0.4
83.01246	0.6
83.04906	1.7
85.02823	4.3
87.00743	3.0
89.02309	2.9
89.03833	0.8
93.03337	16.5
94.03669	0.5
95.04907	4.4
96.95877	0.5
99.00757	0.6
100.14846	0.4
101.02328	1.6
103.03905	0.4
105.03339	15.2
107.04961	0.4
108.02080	0.5
109.02833	1.1
111.04407	5.5
113.02322	1.1
118.97939	0.6
121.02854	1.6
123.04398	2.4
127.03912	0.8
129.01857	0.9
132.02094	0.8
133.02849	100.0
134.03558	5.5
135.02933	0.4
135.04422	10.2
136.04797	0.6
137.02368	4.5
137.03362	0.6
139.03886	1.1
146.03633	1.8
149.02385	0.7
149.04457	8.8
149.05966	1.2
151.03917	1.5
152.03320	0.5
155.03398	4.5
160.01575	2.8
161.02374	4.2
161.04564	0.4
161.05939	0.7
164.04732	0.9
165.05373	0.6
173.04475	24.6
174.04811	1.3
177.01851	72.0
178.02562	10.9
179.03407	6.2
179.07010	3.0
179.10663	1.2
191.05530	34.5
192.05864	1.3
193.04959	0.8
215.05566	1.4
221.20525	0.5
223.13353	4.0
243.12402	0.6
258.10733	0.4
267.12363	1.9
295.09616	0.5
299.41205	0.4
313.10974	0.9
327.08527	2.9
339.08694	8.1
340.09103	1.2
351.07175	7.8
352.07596	1.2
357.09790	10.0
358.10187	1.0
399.16595	3.9
531.14648	8.5
531.20667	1.0
532.15405	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	530.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16160	0.7
59.01254	5.5
61.98700	2.0
68.98308	0.7
69.32872	3.4
69.33283	1.9
71.01255	2.9
72.99165	1.4
75.00737	2.8
75.60738	0.6
78.95783	17.8
85.02840	3.4
88.98678	0.7
89.02325	1.5
95.66512	0.6
98.20536	0.9
99.00771	1.3
106.93661	0.6
110.53848	0.6
113.02343	4.4
152.99529	3.7
165.01308	0.7
168.04251	2.9
175.02368	0.8
191.05605	1.3
195.55499	0.6
224.06898	8.2
242.07945	1.6
255.23282	100.0
256.23660	10.0
279.23297	4.3
280.23691	8.2
310.35434	0.7
367.66138	0.7
480.30957	61.2
481.31308	8.7
530.30621	16.6
531.30750	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10815	0.2
56.68645	0.2
57.03320	0.5
59.00959	0.5
59.01249	6.7
60.99178	1.1
61.98685	0.5
65.03832	0.4
67.01762	3.4
69.03320	1.3
70.63251	0.7
71.01250	2.6
72.99171	0.3
73.02818	1.2
77.03823	0.3
79.23716	0.2
81.03332	1.0
82.04335	0.2
83.01247	0.3
83.04896	0.8
85.02824	9.0
87.00751	6.1
89.02317	1.0
90.98470	0.7
93.03335	21.9
94.03663	0.8
94.19375	0.2
95.04912	0.5
96.95876	0.3
99.00748	0.6
99.04429	0.8
101.02323	1.0
101.29333	0.2
105.03325	1.6
107.04903	0.3
108.02026	0.3
109.02827	2.4
111.00764	0.3
111.04405	3.9
113.02313	0.5
113.05973	0.7
115.03899	0.2
121.02812	0.4
123.04417	0.3
125.02334	0.4
127.03909	2.1
129.01842	0.7
131.03418	0.3
132.02069	3.1
133.02849	12.0
134.03722	1.7
135.02898	0.3
135.04422	5.2
137.02336	0.8
139.03859	0.3
143.03452	0.4
146.03522	0.3
147.04372	0.4
149.04453	1.2
149.05928	0.5
151.03873	0.4
155.03404	1.0
160.00255	0.4
160.01576	8.7
161.02351	13.6
161.04408	0.5
162.02727	1.0
163.07443	0.3
165.05495	0.4
166.05017	0.7
171.02892	0.8
173.04468	9.5
174.03175	0.5
175.03882	0.9
177.01840	3.2
178.02626	1.5
179.03429	1.9
179.07037	0.3
179.10573	0.3
191.05536	100.0
192.05893	4.1
193.04959	1.1
202.02664	0.4
215.05533	3.5
223.13377	0.8
267.12289	0.6
289.87778	0.3
307.08292	0.5
337.09286	0.2
339.08719	21.6
340.09024	2.3
351.07205	8.1
352.07565	0.8
357.09845	1.2
367.10452	0.4
399.16422	0.5
531.14880	5.2
531.27863	0.5
532.15259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03318	0.7
58.00467	0.5
59.01255	9.9
61.98711	0.3
67.01750	0.4
68.22678	0.2
69.03321	0.4
70.82468	0.4
71.01261	6.6
72.99178	0.4
73.02802	0.9
80.09782	0.2
83.01265	0.7
85.02828	1.8
87.00761	1.4
89.02326	6.1
93.03349	1.6
95.01285	0.4
97.06461	0.4
99.00810	0.3
99.88369	0.2
101.01708	0.5
101.02332	6.6
111.08046	0.7
113.02335	3.5
113.09595	0.3
119.03403	1.6
121.10133	0.3
125.02341	0.4
125.09642	0.3
131.03398	0.4
134.03674	0.3
135.04416	1.0
143.03343	1.0
149.04536	0.3
161.04483	3.5
167.10713	0.3
169.12323	0.4
171.10226	0.4
173.04445	1.3
177.12805	0.5
179.03575	0.2
179.05466	1.3
179.14331	0.8
181.12169	0.2
187.07639	0.3
191.05521	3.8
195.13857	9.5
196.14398	0.7
205.12335	0.7
205.15892	0.8
209.11769	0.5
211.13385	0.5
223.13379	6.1
224.13715	0.4
228.13571	0.7
231.21112	0.3
249.22185	0.4
253.09280	30.8
254.09686	1.7
256.13162	1.0
265.21695	0.4
275.20200	4.9
276.20499	0.7
291.19699	1.0
292.20001	1.0
293.21231	100.0
294.21561	8.4
488.89148	0.3
492.22156	0.9
498.93942	0.2
499.07217	0.3
529.21185	0.3
529.29016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03316	4.3
59.01247	25.5
61.98715	3.1
71.01254	18.0
71.49669	3.0
72.99171	6.0
75.00739	20.1
78.95776	10.4
85.02822	24.6
87.00764	7.8
88.98655	2.4
89.02324	9.2
95.01264	4.1
99.00757	10.4
101.02272	1.4
103.00234	4.3
110.37466	1.3
113.02327	37.3
113.03532	1.5
117.01801	2.7
126.96251	1.4
129.01863	1.9
152.99490	4.4
157.34315	1.5
173.04434	2.1
175.02409	4.0
184.43480	1.3
191.05579	2.3
193.03543	1.4
205.07135	3.0
224.06883	4.3
249.06140	8.3
255.23282	65.0
255.25983	3.3
267.07300	8.3
277.21661	2.7
278.61667	1.5
279.23285	69.3
280.23712	7.5
291.47870	1.4
361.38550	1.6
420.80295	1.7
480.30911	37.0
511.29257	2.5
529.30182	100.0
530.30328	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	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46792	0.2
55.01765	0.3
57.03330	0.3
57.55482	0.2
59.01254	8.0
63.68013	0.2
69.03329	0.4
69.18690	1.3
69.19115	0.8
71.01259	6.0
71.04890	0.3
72.99200	0.3
73.02817	0.9
76.40907	0.2
83.01257	0.7
83.04887	0.2
85.02837	1.3
87.00727	0.9
89.02322	5.3
89.02847	0.4
91.03847	0.2
93.03343	0.4
93.98538	0.2
95.01283	0.5
97.02850	0.2
98.19838	0.3
99.00779	0.3
101.02329	6.5
111.04405	0.3
111.08039	0.4
113.02344	3.3
119.03393	1.6
125.02370	0.4
131.03381	0.3
133.02896	0.3
134.03665	0.5
135.04425	0.5
137.02364	0.3
143.03447	0.4
161.04500	3.7
161.05843	0.3
173.04556	0.3
177.01949	0.2
177.12756	0.4
178.02628	0.2
179.05537	1.5
179.14326	0.9
195.13844	9.4
196.14607	1.0
205.12347	0.4
205.16090	0.5
211.13399	0.3
223.13358	5.9
224.13834	0.5
228.13615	0.8
231.21213	0.5
235.08029	0.3
253.09279	29.4
254.09593	1.1
256.13141	1.6
265.21780	0.5
275.20166	5.4
276.20490	0.5
293.21237	100.0
294.21564	9.1
294.24182	0.2
355.15659	0.3
492.21948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76432	0.2
58.44434	0.2
59.01255	4.7
61.98708	3.4
64.20555	0.2
70.89150	0.2
71.01270	1.4
71.50841	0.4
72.99184	0.3
73.02805	0.7
78.95798	0.2
85.02827	1.4
87.00759	0.7
89.02312	1.8
90.12513	0.2
90.98472	100.0
91.98819	0.8
93.03355	1.0
97.06477	0.3
99.04414	0.4
101.02354	0.8
104.60264	0.2
105.43486	0.2
111.04412	0.4
113.02304	0.4
123.08023	1.4
131.03416	0.5
135.04407	0.6
136.37117	0.2
149.04462	6.1
161.02443	0.4
173.04501	1.0
183.83780	0.2
187.07538	1.4
191.05553	11.9
192.05894	0.5
202.06334	0.4
229.08640	0.3
265.08444	0.2
271.67447	0.2
281.11215	0.2
311.16479	1.0
337.14261	0.4
355.11893	0.3
355.15591	2.0
356.15988	0.3
397.13297	1.0
432.14230	0.9
469.28802	0.2
529.20197	0.6
529.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.5
59.01249	100.0
60.01580	0.8
61.98695	1.8
69.21497	3.8
71.01252	14.4
72.99191	1.4
73.02817	1.9
83.01262	1.0
85.02831	2.3
87.00770	1.2
87.15401	0.4
89.02316	17.4
93.03316	1.1
95.01276	1.0
97.02863	0.4
98.20715	0.4
99.00739	0.8
101.02313	8.6
113.02322	5.8
118.97993	0.9
119.03382	6.7
125.02342	0.9
131.03416	0.5
135.04425	0.8
143.03426	0.6
149.04456	1.0
161.02438	0.7
161.04488	1.9
173.04494	1.1
179.03383	0.4
179.05580	2.6
191.05554	2.5
191.32809	0.4
202.06628	0.5
203.14345	0.7
380.79486	0.5
397.14810	0.6
409.18576	3.7
427.19662	2.9
469.21091	1.9
470.21310	0.5
485.20483	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05147	0.2
54.61029	0.2
57.03322	1.1
59.01253	7.2
59.97280	0.3
61.56755	0.2
70.52210	0.8
71.01263	4.7
71.04910	0.4
73.02813	0.7
83.01277	0.4
83.04883	0.8
85.02818	0.9
87.00738	0.5
89.02321	3.8
90.59536	0.3
93.03361	0.8
95.01254	0.3
95.04895	0.7
95.05521	0.3
98.20640	0.4
99.00813	0.3
101.02342	3.6
109.06457	0.5
111.07303	0.5
111.08054	9.1
113.02351	2.1
113.09606	0.5
118.16219	0.3
119.03371	0.8
123.08096	0.4
125.02331	0.5
137.09552	0.4
149.09650	0.6
152.01164	0.3
161.04483	1.5
165.12685	0.4
167.10681	1.7
171.10173	0.4
173.04514	0.8
177.12775	2.0
178.99814	0.6
179.05499	0.5
179.10725	2.2
188.43001	0.3
191.05547	0.5
195.13853	5.6
196.14272	0.4
203.14389	0.4
209.11786	0.7
212.60866	0.3
235.08218	0.6
247.20665	1.9
253.09277	17.4
254.09647	0.9
273.18652	1.4
291.19675	100.0
292.20016	10.6
292.23328	0.4
296.89346	0.3
527.28522	2.7
545.25049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24014	15.8
59.01234	23.4
66.38163	15.9
71.01270	27.3
71.48498	37.1
93.03369	18.0
96.95853	30.4
99.04400	75.8
140.76189	17.0
142.05016	22.4
142.71925	16.4
143.03384	100.0
151.83902	16.8
173.04457	19.9
176.68980	18.3
187.02301	94.2
188.05588	39.5
191.05536	53.9
368.62585	20.6
466.36346	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	529.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54206	0.1
51.74617	0.2
59.01242	0.8
61.98705	0.4
62.50973	0.1
71.01259	0.8
71.37683	0.2
71.38012	0.1
73.02821	0.4
85.02826	0.2
87.00746	0.2
89.02316	1.6
90.98467	100.0
91.98314	0.2
91.98860	0.9
101.02359	0.1
110.78122	0.1
119.62876	0.1
131.03384	0.4
132.73390	0.2
147.58853	0.2
149.04465	5.2
173.04453	0.3
177.01854	0.1
187.03918	0.1
191.05542	1.3
283.13110	0.2
331.24356	0.2
397.13257	0.3
427.74670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05276	0.6
55.01757	1.1
57.03315	3.1
59.01252	17.0
61.98690	0.7
64.56528	0.6
68.99677	1.1
71.01252	25.4
71.16407	1.2
72.99174	7.0
73.02814	2.2
75.00747	23.2
80.96405	1.0
83.01280	1.1
85.02826	30.8
86.03169	1.0
87.00758	9.1
89.02309	5.5
95.01264	6.6
99.00758	12.8
101.02314	1.2
102.59286	0.8
103.00243	4.8
111.00784	1.1
113.02329	42.2
113.25229	0.7
114.02682	1.1
115.00268	2.3
115.12204	0.7
117.01845	2.4
123.70198	0.7
129.01822	2.0
147.21887	0.7
147.23404	0.6
149.04436	0.9
152.99475	0.9
154.75627	0.7
157.01358	1.2
175.02420	5.7
193.03502	1.1
205.07120	3.8
223.08159	1.5
231.05127	1.3
249.06096	9.3
267.07236	9.6
271.42902	0.7
277.21716	68.0
278.22028	6.7
291.19724	1.9
325.57404	0.8
346.35538	0.7
393.65292	0.7
491.50580	0.7
509.27530	3.1
527.28638	100.0
528.28992	17.0
551.77783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92846	0.4
52.61476	0.3
54.33456	0.4
59.01250	45.7
60.01585	1.2
61.98702	100.0
68.99688	1.4
69.86530	2.2
71.01259	6.5
72.99195	0.4
73.02820	1.9
75.76192	0.4
83.01262	1.0
85.02824	2.5
87.04388	10.3
89.02333	1.8
93.03349	1.3
97.06480	0.7
98.19801	0.5
99.00764	0.9
101.02317	3.5
109.02924	0.5
113.02352	2.3
119.03384	1.1
135.04446	1.0
151.00311	0.5
161.02371	1.0
161.04500	1.4
171.10202	1.8
173.04521	0.9
175.07689	0.5
176.02127	0.4
179.03433	0.9
179.10741	0.5
191.05516	1.9
192.25632	0.4
199.09514	0.4
201.11267	0.5
209.11783	2.4
210.12160	0.7
215.07140	1.4
225.11363	1.0
227.12894	0.4
244.03221	0.5
255.02943	0.6
256.03467	0.8
271.02560	1.4
272.02896	1.2
291.19742	0.6
299.02094	0.6
300.02652	2.2
301.03079	2.8
307.17712	0.5
322.71664	0.4
377.21732	2.0
419.22910	0.8
526.14490	0.8
526.27936	1.2
527.27869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73207	0.4
51.56977	0.3
52.09208	0.3
59.01252	1.7
61.98685	0.7
63.96103	1.1
69.03345	0.5
71.01254	6.4
73.02806	1.5
78.98457	4.0
79.95605	7.3
80.96390	49.2
81.03298	0.9
83.01289	0.4
85.02836	2.7
87.00759	2.0
89.02319	0.5
94.97963	12.6
96.95888	1.2
97.02837	1.3
98.19796	1.0
99.00716	0.4
99.04403	0.5
101.02317	2.8
106.28559	0.3
106.97961	2.3
113.02335	0.6
114.93311	0.5
116.92732	1.4
122.97482	3.8
125.02367	2.2
127.03920	0.7
134.97470	3.9
136.99046	0.7
139.67708	0.4
148.99040	5.6
149.04445	1.1
152.98532	6.0
163.03981	0.5
164.98532	10.7
166.39819	0.3
173.04579	0.4
175.03995	0.5
182.99631	2.6
187.07524	0.4
191.05548	0.9
206.99586	2.9
209.11818	3.0
225.00697	20.2
226.01019	0.9
243.01767	1.8
299.04358	2.8
374.00916	0.4
398.06006	0.4
411.16763	0.7
458.83029	0.4
527.18011	100.0
528.18396	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	523.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03317	5.6
58.00474	0.8
59.01252	19.6
61.98702	20.5
69.03318	1.5
70.63338	0.7
70.63670	0.7
71.01255	21.8
71.04894	0.4
72.99184	1.7
73.02819	8.9
73.65276	0.3
73.72433	0.4
75.00752	1.3
82.13072	0.3
83.01263	4.9
85.02824	12.4
85.06461	0.5
85.99944	0.5
87.00755	2.3
89.02320	3.7
93.03350	0.9
95.01265	1.9
97.02825	1.3
97.06447	0.6
99.00745	3.5
101.02325	20.0
101.79262	0.3
102.02644	0.5
105.30310	0.3
109.02755	0.4
109.06464	0.4
111.00071	0.5
111.00761	3.9
113.02327	7.6
119.03381	1.9
119.04855	0.4
121.02895	0.4
123.04371	0.5
125.02281	0.7
125.91240	0.4
129.01799	0.7
131.03400	0.6
133.02814	0.6
134.03659	1.8
135.04414	1.9
137.02350	0.8
139.11147	0.8
141.01877	0.4
143.03401	0.8
149.02367	0.8
149.04471	1.1
155.03430	0.4
157.12248	1.7
159.02901	1.7
161.02342	1.5
161.04469	3.2
164.04710	0.6
173.04509	1.2
173.11768	1.0
175.03883	1.7
176.03416	0.6
177.01918	0.7
179.03436	1.1
183.13837	0.6
185.15430	0.4
187.03905	0.4
189.05463	0.7
191.05547	2.2
207.03004	0.4
215.35291	0.4
217.08693	0.4
227.12889	2.0
228.13165	1.0
229.13454	1.2
229.18079	2.0
245.08243	0.8
246.08887	1.0
292.59982	0.3
307.11777	1.6
309.92725	0.4
315.10831	0.6
315.25479	1.1
357.74149	0.4
361.17676	0.5
361.29565	15.0
362.30069	1.8
373.25916	0.6
375.27188	0.8
391.26889	6.0
392.27353	0.5
479.22794	0.8
505.20847	0.5
523.22107	3.0
523.34906	100.0
524.35144	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	525.2702
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
51.60633	0.6
55.01760	1.1
57.03317	2.0
59.01244	9.7
61.98701	1.6
68.99683	1.2
69.03324	11.1
71.01247	3.7
71.04888	3.3
71.50613	1.2
73.02809	1.3
78.95765	0.9
80.02529	1.8
80.59612	0.7
81.03331	2.3
83.01257	2.3
83.04893	7.8
84.02024	2.2
89.02312	1.0
94.72680	0.7
95.04914	1.7
97.02834	1.2
97.06467	3.1
99.00759	1.3
106.23030	0.8
108.02000	0.8
109.06497	1.4
111.04354	0.9
111.08047	0.7
123.08029	3.2
125.09598	6.1
135.08089	1.3
137.09599	1.3
149.09644	1.5
151.11179	6.4
153.12715	2.4
161.09605	9.9
163.03885	0.7
163.11183	6.5
165.12776	2.6
171.10175	2.7
173.04485	0.9
179.10698	34.2
180.10994	1.8
181.12282	2.2
185.11743	2.1
191.05562	1.2
191.10730	1.8
197.11768	100.0
198.12125	6.1
199.13335	1.2
201.11433	0.9
207.10210	2.0
209.11775	82.7
210.12083	5.2
211.13356	0.9
223.09677	5.9
225.11282	2.5
227.12848	11.9
229.08635	1.2
241.10805	14.5
243.12332	0.8
289.18140	1.2
297.13452	8.8
315.14499	22.9
316.14911	2.1
346.63480	0.9
389.23489	1.6
463.27267	2.3
507.26392	3.9
525.27020	92.1
526.27325	14.8
539.18292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.8
57.03322	6.0
58.00455	0.9
59.01250	15.7
61.98700	2.5
67.01731	0.2
68.99675	0.3
69.03336	1.3
69.15180	2.7
71.01251	25.8
71.04872	0.2
72.01581	0.6
72.99170	1.7
73.02817	11.1
75.00745	0.9
81.03330	0.3
83.01258	6.9
85.02821	15.6
85.06459	1.0
85.99973	0.6
86.03156	0.4
87.00742	1.8
87.04386	0.5
89.02322	2.7
93.03324	0.4
95.01251	2.4
97.02821	0.7
99.00752	4.0
99.08019	0.5
101.02322	19.8
102.02648	0.6
111.00756	4.2
113.01523	0.5
113.02322	10.3
114.02685	0.3
119.03422	0.6
121.02820	0.3
123.08014	0.3
125.02342	0.8
125.09608	0.3
129.01828	1.2
131.03400	0.2
135.04395	0.5
137.02322	0.3
141.01855	0.4
141.09180	0.2
143.03416	0.6
143.10695	1.6
149.04366	0.5
151.03860	0.2
153.12732	0.4
155.10664	0.3
159.02905	2.6
161.02351	0.5
161.04478	3.7
166.06296	0.3
171.10156	0.5
171.13831	0.3
173.04535	0.4
179.03360	0.3
187.13307	0.3
191.05600	1.1
201.11382	0.3
202.81915	0.3
203.09558	0.2
229.18005	1.8
253.05235	0.2
261.41895	0.2
299.18539	0.5
315.25357	1.6
326.95163	0.2
343.28452	0.6
349.18823	0.3
361.29565	12.8
362.29916	1.8
391.19296	0.3
391.27057	4.6
392.27441	0.4
463.22189	0.3
505.33670	0.3
523.34869	100.0
524.35236	15.5
524.43384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61409	2.7
55.01764	4.0
56.62902	2.3
57.03312	5.2
57.88248	2.2
59.01252	88.0
61.98692	8.4
68.98496	2.3
69.82210	13.9
71.01250	58.3
72.99194	4.7
73.02830	22.3
75.00751	5.8
75.90110	2.5
80.96455	2.8
81.03358	2.6
83.01269	7.2
85.02818	16.6
87.00768	6.8
89.02316	25.8
93.03323	3.2
95.00339	2.9
96.95888	5.4
97.17147	2.7
99.00767	6.5
101.02325	39.9
111.00778	5.0
113.02309	18.2
115.03932	2.5
119.03423	15.0
119.04899	3.0
121.02819	2.6
123.04398	6.8
125.02342	4.4
129.01814	2.8
131.03395	3.8
133.02853	3.0
134.03688	2.9
135.04391	7.7
135.06523	6.4
137.09795	3.4
139.11166	15.4
149.02345	4.0
149.04443	19.9
149.05611	2.9
150.03133	6.0
161.02379	2.9
161.04489	9.5
163.11238	4.3
164.04692	2.8
165.05478	4.6
173.04416	5.6
175.03952	3.8
178.95000	2.6
179.03413	3.1
179.05577	3.8
179.07066	3.0
181.12291	5.2
183.10138	18.1
191.05525	18.7
195.06607	5.9
209.11771	29.8
225.11252	4.0
227.12846	4.5
232.01965	3.4
233.06549	4.1
243.12448	9.7
246.09019	3.2
253.09221	5.8
259.11914	4.2
261.06039	10.0
297.11948	7.2
331.17694	5.1
343.11893	3.0
361.16476	8.5
391.19736	28.9
391.27280	4.6
392.19949	4.0
441.12225	34.6
442.12726	5.9
463.21683	40.4
464.22214	8.7
505.22479	4.2
523.09644	9.0
523.23505	100.0
524.23999	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	523.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98249	0.8
52.69157	0.8
57.03299	1.4
59.01242	6.3
60.96046	0.7
61.98705	1.6
64.63851	0.8
67.26247	0.7
71.00851	0.7
71.01241	1.6
71.11415	0.7
71.50152	1.1
78.95776	11.6
83.04871	1.0
96.96787	1.1
97.06503	0.8
113.09571	2.4
141.83609	0.9
145.83775	0.8
152.98343	1.3
152.99492	14.8
153.08546	0.7
171.00543	2.0
177.12743	0.9
179.14278	1.5
195.13817	19.8
196.14186	1.4
243.90152	0.8
245.04271	2.8
277.21698	16.9
278.22046	1.9
295.22772	100.0
296.23099	9.2
342.96628	1.0
523.26740	49.4
524.27069	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.0
57.03327	4.1
58.00468	1.3
59.01251	25.9
60.01578	0.7
60.99170	0.5
61.98706	3.7
68.99686	0.3
69.03318	0.7
71.01254	31.2
71.04897	1.0
71.50639	0.6
72.01588	1.2
72.99187	2.4
73.02819	11.8
75.00755	2.3
81.03345	0.4
83.01257	6.3
85.02824	15.8
85.99988	0.7
86.03172	0.8
86.72729	0.3
87.00744	3.1
87.04392	1.5
88.98679	2.8
89.02317	6.9
93.03334	0.8
95.01265	2.1
96.95920	0.3
97.02851	1.0
97.06464	0.7
99.00751	3.7
99.01360	0.4
99.04369	0.3
101.02325	22.9
102.02668	1.2
109.02859	0.3
109.06471	0.5
111.00770	4.3
111.04382	0.3
111.08049	0.4
113.02331	10.3
114.02716	0.5
114.05486	3.3
115.02766	0.3
119.03397	3.0
123.04462	0.4
123.08051	1.1
125.02337	1.0
125.09596	0.4
129.01804	1.6
131.03369	0.5
133.02881	0.9
134.03647	0.6
135.04411	1.9
137.09557	0.4
141.01807	0.4
141.12689	0.5
143.03432	1.1
143.10683	1.2
146.03651	0.5
147.02989	0.6
147.04424	2.5
148.04895	0.3
149.02341	0.5
149.04475	1.4
151.03893	0.7
153.09048	0.4
159.02917	1.9
159.04303	0.7
161.02377	1.5
161.04500	3.5
161.05890	0.8
161.09764	0.3
163.03862	0.5
165.03973	0.5
167.14342	0.9
169.12219	0.4
171.13878	0.7
173.04497	1.0
173.05986	0.6
174.03197	0.8
175.03911	5.1
175.05325	0.5
175.07550	1.0
179.03447	1.3
179.05545	0.9
183.07710	1.6
187.03966	1.4
187.07585	0.7
187.13393	0.4
188.04701	1.3
189.05522	1.5
191.05537	3.0
199.07727	0.4
201.09081	0.4
201.14909	1.2
202.06334	0.5
203.07103	1.9
204.07838	1.2
205.08604	0.5
211.13348	1.6
217.06509	4.7
217.08731	1.3
217.14453	0.4
227.07117	0.5
229.08672	0.8
229.14415	5.1
230.09210	0.5
230.15021	0.5
245.08147	2.1
246.08943	6.4
247.09465	0.5
263.09290	0.7
271.22839	1.3
301.14389	0.4
315.10822	0.5
315.25381	2.2
329.23184	0.5
329.26950	0.7
350.12314	0.4
357.26382	0.6
359.28012	1.6
360.28268	0.8
361.19000	0.5
361.29538	15.2
362.29980	1.5
373.16132	0.4
373.26001	1.2
374.26398	1.1
375.27338	8.1
376.27786	1.0
391.16425	0.4
425.14603	0.7
426.15448	0.8
523.34851	100.0
524.35175	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	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01749	1.8
57.03318	1.9
58.00455	1.6
59.01250	33.8
61.98676	0.8
71.00851	1.2
71.01252	25.0
72.99176	2.7
73.02826	7.3
83.01264	4.0
85.02824	8.0
87.00742	2.5
89.02319	13.1
93.03319	2.2
95.01247	1.9
96.95859	0.8
99.00727	2.5
99.04379	1.0
101.02324	17.7
108.02038	0.9
109.02823	4.2
109.12005	0.7
111.00747	0.7
113.02331	8.0
114.02650	0.7
115.03889	1.4
119.03387	6.1
121.02840	10.3
122.03640	9.7
123.04402	6.8
124.01543	1.2
128.91547	0.7
129.03310	1.1
131.03381	1.0
134.03622	2.3
135.04408	3.6
136.05202	1.0
137.02295	3.5
137.09598	2.2
139.11143	1.9
143.03391	0.7
144.66762	0.6
147.04414	6.6
149.02431	0.8
149.04456	6.5
149.05983	1.9
150.03142	1.0
152.07028	0.7
154.02594	1.5
155.10631	0.9
161.02284	0.8
161.04541	1.5
161.06000	2.5
162.06754	0.9
163.03926	1.0
164.04666	1.6
165.04134	1.3
165.05489	23.9
167.03383	2.3
173.04449	1.8
175.03877	0.9
175.07481	1.2
179.05582	1.0
179.07028	6.5
179.18179	0.7
181.04980	1.3
183.10138	1.4
187.07607	0.7
191.05493	3.7
191.07048	2.4
193.04965	1.3
193.08627	0.8
197.11723	1.5
199.09631	0.9
201.11244	1.1
205.08511	0.7
209.11726	3.1
215.12651	0.8
223.09692	0.9
225.11226	0.8
235.06007	1.8
241.10809	0.9
255.19405	0.9
259.11908	6.3
281.17633	1.1
295.08206	0.9
297.11133	0.9
298.12064	1.2
299.18631	2.6
301.10983	1.1
313.10919	1.2
313.14456	1.8
315.12415	1.1
317.19611	2.0
328.13177	2.8
343.15500	5.5
346.14172	10.1
347.14700	3.7
349.78116	0.9
361.16525	82.5
362.16858	9.6
373.15070	0.9
391.15720	2.2
391.23325	3.2
391.27524	1.3
392.16211	0.8
441.12115	3.7
463.21771	2.3
505.21021	0.6
508.19547	0.9
523.21777	100.0
524.22241	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	523.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49085	0.5
55.01754	0.9
57.03302	1.4
58.00449	0.6
59.01249	23.8
60.01571	0.7
61.77282	0.6
61.98703	5.4
63.96103	1.1
66.02525	0.6
69.03329	1.0
69.24171	1.6
69.24584	4.8
70.04577	0.6
71.01254	21.4
72.01582	0.6
72.99164	2.4
73.02819	5.1
75.00735	1.2
78.98465	5.4
79.95600	8.4
80.96386	58.1
81.03296	1.1
83.01227	1.9
85.02815	5.2
87.00740	5.2
87.04385	0.8
88.01049	0.6
89.02318	6.7
93.03326	2.0
94.97964	12.9
95.73396	0.6
96.95883	1.5
97.02803	2.0
99.00748	1.1
101.02318	10.9
106.97976	3.0
109.02803	0.7
112.69554	0.7
113.02350	3.5
119.03376	5.2
119.64419	0.6
122.97460	5.5
123.04442	0.6
125.02345	3.1
127.03880	0.8
128.60535	0.7
134.03590	1.1
134.97462	4.6
135.04364	1.1
136.99031	1.4
143.03369	1.2
146.03595	1.4
146.97377	0.6
147.04353	0.9
148.99017	6.0
149.04427	0.9
151.03888	1.1
152.98547	6.4
159.04356	0.7
161.02303	1.0
161.04430	1.9
164.98549	10.9
165.04012	0.8
171.04393	0.9
173.04427	1.8
173.05922	1.4
174.03122	1.7
174.06673	1.1
175.03938	3.2
175.07516	1.3
179.05513	1.5
182.99559	2.2
187.03871	1.1
187.07538	1.8
189.05473	2.3
191.05568	3.0
201.09149	1.5
202.06245	0.7
203.07085	5.5
204.07767	2.1
206.99583	2.4
215.06798	1.4
217.08604	2.0
223.13188	2.0
225.00690	16.1
227.07089	1.2
228.07809	0.9
231.09999	0.7
243.01707	1.6
245.08237	3.0
246.08928	9.9
247.09323	1.0
270.34290	0.6
285.13879	0.9
287.22433	0.9
299.04498	3.1
311.12854	0.8
315.15839	1.1
317.05710	0.7
329.16702	1.3
329.23224	1.2
343.15472	1.1
361.29410	1.7
373.15482	1.6
383.26740	0.7
391.22681	0.9
391.27386	3.9
411.16531	0.9
425.14398	1.4
426.15152	1.1
505.18219	0.7
522.32910	0.9
523.18420	100.0
523.35022	8.8
524.18774	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	523.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36719	0.8
59.01247	16.1
60.99200	0.9
71.01251	8.2
73.02809	2.6
85.02811	3.5
85.63126	1.0
85.94981	1.0
87.00738	1.7
89.02328	3.9
93.03336	2.5
98.20560	2.6
99.00737	1.0
101.02327	5.8
108.02084	1.5
113.02331	3.4
117.22522	0.8
119.03423	1.7
119.04891	1.9
121.02828	6.0
121.82373	0.8
122.03635	9.8
123.04433	9.8
124.67055	1.0
131.03378	1.4
132.02075	1.5
133.02864	3.6
134.03613	3.2
135.04408	6.2
136.05194	12.0
137.02324	1.0
139.11183	1.9
149.02344	17.0
149.04457	4.3
149.05984	2.4
150.03128	91.3
151.03915	29.9
151.07535	1.7
152.04216	2.8
160.01538	1.1
161.04477	2.2
163.03926	1.2
164.04655	4.4
165.05478	100.0
166.05836	6.4
175.03926	1.8
177.05441	1.1
179.03375	2.6
179.07121	1.0
180.04214	6.1
181.04982	23.1
181.12274	1.2
182.05281	1.1
183.10202	3.2
191.05537	3.0
193.04964	4.6
194.05650	1.7
195.06555	74.4
196.06892	4.2
199.13249	1.2
209.08015	1.7
217.04970	1.1
243.12271	4.3
284.10651	1.0
311.09201	8.0
313.12109	1.1
343.11847	26.2
344.12201	2.9
361.15054	1.4
375.16193	1.0
391.13962	59.6
391.19058	2.1
392.14310	8.9
463.21753	9.0
523.18604	5.3
524.18280	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	523.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.0
55.53254	1.6
56.66426	1.4
59.01251	22.4
69.59849	12.2
71.01252	10.2
72.76609	1.7
73.02824	3.8
73.92761	1.6
84.70647	1.8
85.02856	2.3
89.02316	4.9
93.03326	2.6
95.01245	1.6
98.20550	2.0
98.88223	1.5
101.02317	7.5
111.08038	3.3
113.02323	4.2
119.04916	1.6
121.02872	10.8
122.03623	7.3
123.04395	6.1
124.01544	2.1
131.03355	2.3
133.02838	4.1
134.03616	4.1
135.04428	9.4
136.01636	3.7
136.05200	22.0
137.05984	2.1
139.11191	8.9
149.02361	26.2
149.04437	5.6
149.05977	4.7
150.03130	93.6
151.03918	24.5
151.07521	3.3
155.10669	2.3
161.04492	2.6
164.04692	6.3
165.04095	3.0
165.05475	58.8
166.05827	3.4
175.37714	1.6
180.04094	3.0
181.04973	18.1
181.12274	6.1
183.10115	9.2
191.05502	2.9
194.05597	1.8
195.06564	70.6
196.06885	5.5
199.13347	2.0
225.11209	3.9
243.12343	26.3
269.08298	1.8
283.09827	7.5
311.09232	10.5
343.11835	100.0
344.12064	10.2
361.18826	2.8
364.42288	1.7
372.87259	1.6
375.16583	9.8
391.13962	97.4
391.19675	6.8
392.14227	10.0
463.21506	10.9
523.09448	2.5
523.20142	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	522.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34826	0.7
55.01751	2.6
56.75337	0.7
57.03319	2.7
58.00453	0.8
59.01249	44.4
60.01579	0.7
61.98702	100.0
69.03316	1.1
69.17780	0.6
71.01254	19.4
72.01620	0.7
72.99171	1.7
73.02823	5.9
75.00755	2.0
83.01266	4.0
85.02826	9.3
87.00784	2.5
87.04381	0.8
89.02313	6.4
90.45740	0.7
93.03337	1.6
95.01261	1.6
97.02805	0.7
97.06524	0.8
99.00769	2.5
101.02328	15.0
102.02708	1.0
103.20487	0.7
111.00768	0.9
111.08053	0.8
113.02319	6.8
114.05487	0.9
119.03407	1.7
125.02387	0.6
129.01802	0.7
131.03436	1.1
133.02869	0.7
135.04414	2.8
149.04478	2.4
159.02925	1.8
161.02313	0.8
161.04460	3.8
165.03957	0.8
171.10263	1.0
173.04475	1.0
175.03929	2.1
176.04582	0.9
189.05681	0.9
191.05588	3.2
201.14746	0.8
217.06705	0.9
229.14644	0.9
229.47655	0.8
246.08980	1.4
253.21573	0.7
277.12967	1.1
283.13388	0.9
284.13837	1.6
311.12836	1.3
312.13278	2.0
325.23959	0.9
328.16528	2.0
359.28098	3.1
360.28442	1.7
361.29639	3.1
371.15259	1.0
372.15338	1.6
373.22168	2.2
373.26089	7.1
374.26257	11.4
375.27383	8.3
390.16306	1.1
390.25858	1.7
415.23535	1.3
425.14124	0.8
521.33325	6.9
522.34338	13.9
523.23376	0.9
523.35333	15.5
545.91364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34826	0.7
55.01751	2.6
56.75337	0.7
57.03319	2.7
58.00453	0.8
59.01249	44.4
60.01579	0.7
61.98702	100.0
69.03316	1.1
69.17780	0.6
71.01254	19.4
72.01620	0.7
72.99171	1.7
73.02823	5.9
75.00755	2.0
83.01266	4.0
85.02826	9.3
87.00784	2.5
87.04381	0.8
89.02313	6.4
90.45740	0.7
93.03337	1.6
95.01261	1.6
97.02805	0.7
97.06524	0.8
99.00769	2.5
101.02328	15.0
102.02708	1.0
103.20487	0.7
111.00768	0.9
111.08053	0.8
113.02319	6.8
114.05487	0.9
119.03407	1.7
125.02387	0.6
129.01802	0.7
131.03436	1.1
133.02869	0.7
135.04414	2.8
149.04478	2.4
159.02925	1.8
161.02313	0.8
161.04460	3.8
165.03957	0.8
171.10263	1.0
173.04475	1.0
175.03929	2.1
176.04582	0.9
189.05681	0.9
191.05588	3.2
201.14746	0.8
217.06705	0.9
229.14644	0.9
229.47655	0.8
246.08980	1.4
253.21573	0.7
277.12967	1.1
283.13388	0.9
284.13837	1.6
311.12836	1.3
312.13278	2.0
325.23959	0.9
328.16528	2.0
359.28098	3.1
360.28442	1.7
361.29639	3.1
371.15259	1.0
372.15338	1.6
373.22168	2.2
373.26089	7.1
374.26257	11.4
375.27383	8.3
390.16306	1.1
390.25858	1.7
415.23535	1.3
425.14124	0.8
521.33325	6.9
522.34338	13.9
523.23376	0.9
523.35333	15.5
545.91364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54060	0.6
51.98480	0.8
55.71607	0.7
57.03330	1.3
59.01252	31.9
61.98704	100.0
63.99131	1.3
69.03334	0.8
71.01257	16.0
71.04904	0.9
71.50565	1.1
72.01588	1.0
72.99195	0.9
73.02829	9.1
75.00742	1.3
81.97207	0.7
83.01264	3.2
83.04904	0.9
85.02829	3.7
87.00762	2.5
87.04403	1.1
87.64194	0.8
89.02319	7.6
93.03353	2.0
95.01265	1.4
96.09031	0.7
97.06465	1.1
99.00766	1.5
101.02323	13.5
102.02685	1.1
110.66720	0.8
113.02354	7.0
118.98003	0.8
119.03429	3.9
123.08047	0.7
131.03429	1.8
133.02896	1.1
134.03642	1.4
135.04448	1.8
143.03465	1.0
146.06902	0.7
149.04472	3.8
155.03470	1.3
157.08711	0.9
161.02434	1.6
161.04497	3.1
166.05353	0.8
171.10246	0.9
173.04514	1.3
175.03946	1.3
179.03439	0.7
179.05569	1.3
191.03223	0.8
191.05521	4.5
203.07251	0.8
245.08195	1.3
246.09010	1.4
255.80241	0.8
283.13354	0.8
308.51474	0.9
312.13000	0.9
328.16565	0.9
349.18677	1.8
359.28217	2.5
360.28415	1.3
361.29843	1.0
372.15274	1.8
372.24857	1.7
374.26535	1.2
389.25476	8.0
390.25833	16.1
391.27310	1.5
504.33029	1.0
521.33667	5.7
522.16846	1.5
522.33667	9.8
523.10284	2.8
523.23059	2.4
523.35535	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.8
56.99248	0.4
57.03320	5.2
58.00461	1.3
59.01250	32.3
60.01590	0.9
61.98702	14.0
69.03334	1.1
69.42094	1.0
69.42514	2.0
71.01252	39.5
71.04879	0.5
72.01596	0.7
72.99181	2.0
73.02817	16.4
75.00742	0.8
76.57145	0.4
81.03313	0.6
83.00756	0.4
83.01252	7.6
83.04916	0.6
85.02821	22.4
85.99987	0.9
86.03152	0.6
87.00752	9.0
87.04397	0.7
89.02321	6.8
93.03329	0.8
93.06954	1.8
95.01256	3.0
97.02834	1.5
97.06467	6.0
99.00758	6.1
101.02322	31.7
102.02686	0.8
111.00768	3.2
111.04399	0.4
113.02327	14.3
114.02725	0.5
119.03405	1.9
121.10085	0.5
125.02354	1.1
125.05920	0.6
125.09613	0.7
129.01862	1.7
131.03381	0.8
133.02841	1.2
134.03258	0.4
135.04376	1.2
137.02341	0.4
140.01219	0.4
141.01793	0.6
143.03391	1.7
143.10674	0.5
147.11700	1.1
149.04446	4.6
155.10675	0.5
157.12254	0.7
159.02899	3.8
161.04465	9.6
165.12733	0.4
169.12227	0.9
173.04492	0.5
173.05960	0.5
177.01834	0.7
178.02373	0.8
179.05614	0.6
181.15895	1.7
183.13831	1.3
186.06786	0.5
187.03865	0.6
187.07486	1.0
191.05544	1.4
197.15390	3.0
201.05542	0.6
201.09227	0.5
201.14873	0.8
202.09654	0.4
204.07832	0.4
211.07556	0.7
211.13408	0.8
211.17140	0.6
214.06366	0.6
216.07690	0.5
217.08679	0.6
225.05537	0.5
225.09079	1.7
226.06155	0.5
226.09839	1.0
227.10712	0.8
227.12743	3.4
228.07887	0.6
229.08647	1.1
229.12357	0.5
229.18011	5.8
239.07126	1.0
239.10759	0.9
243.19630	2.9
244.07422	0.5
251.10681	0.5
253.08611	0.8
254.09464	1.4
255.10139	0.9
255.13965	1.3
257.11789	0.8
267.10156	0.6
269.11859	0.8
273.15244	0.5
280.10837	0.4
282.08920	0.5
283.13379	5.6
284.13559	0.7
298.12128	1.0
299.16422	0.5
299.25766	0.6
301.14417	1.5
309.14990	0.9
311.12857	6.5
312.13251	0.8
315.10672	0.5
319.17566	0.9
323.26089	0.4
327.12250	0.7
327.15958	7.2
328.16406	0.9
329.23254	0.6
341.27109	0.6
345.16962	4.1
346.17392	0.6
350.30005	0.5
353.14038	0.4
359.17032	0.6
359.28021	14.9
360.28546	1.8
371.14963	8.2
371.24567	1.3
372.15347	1.1
373.25912	1.6
389.16458	2.5
389.20566	0.7
389.25433	7.7
390.16531	0.7
390.21378	0.5
390.25873	0.9
391.23309	5.4
392.23727	0.8
396.24371	0.4
405.24966	5.7
406.25235	0.9
443.30106	0.5
461.31433	2.5
485.30917	1.3
491.32312	1.4
503.32196	2.8
521.33344	100.0
522.33765	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11496	0.3
55.01762	3.8
55.31311	0.3
56.21703	0.3
57.03326	4.1
58.00470	1.0
58.91325	0.3
59.01253	20.4
60.01599	0.4
61.98692	0.7
69.03321	0.9
69.43621	0.3
69.43922	2.3
71.01254	30.5
71.04879	0.9
72.01626	0.4
72.99168	1.8
73.02823	12.4
74.98996	0.3
75.00747	1.0
81.57753	0.3
83.01257	5.7
83.04905	0.4
84.69279	0.3
85.02825	18.0
85.06479	0.6
85.99971	0.6
87.00756	3.3
89.02322	4.2
93.03316	0.5
93.06972	4.8
95.00703	0.4
95.01267	2.6
97.02840	1.0
97.06478	1.2
98.20537	0.7
99.00764	4.4
101.02325	24.7
102.01498	0.3
102.02680	0.9
105.88915	0.3
109.06449	0.3
111.00769	3.8
111.08054	0.7
113.02339	10.7
115.07501	0.3
115.39922	0.3
116.12311	0.3
119.03403	1.4
123.08076	0.7
125.02345	0.6
125.09605	0.6
127.07547	0.3
127.11208	0.3
129.01851	1.3
131.03394	0.7
133.02785	0.7
134.03493	0.4
135.04410	0.6
137.09714	0.4
143.03419	1.3
143.10725	0.6
147.11713	0.7
149.04480	0.9
153.09152	0.4
157.08618	0.8
157.12285	0.7
159.02892	3.2
161.02444	0.5
161.04477	7.6
165.12781	1.2
171.10243	0.7
173.04463	0.6
178.02263	0.3
183.13831	2.2
190.02522	0.5
191.05530	2.1
205.05048	0.7
209.11819	0.9
209.15367	0.5
227.10750	0.6
227.12883	6.3
228.13266	0.7
229.18073	9.8
230.18454	0.6
283.13394	0.7
289.17026	0.4
299.19263	0.3
301.14566	0.3
311.12814	0.5
327.16074	0.8
329.26874	0.4
345.17047	0.8
359.17130	1.0
359.28043	9.4
360.28430	1.0
371.15079	0.8
371.24335	0.7
373.25891	0.6
389.17325	0.4
389.25473	12.5
390.25781	1.6
391.23383	17.7
392.23599	2.0
461.31357	1.2
485.31216	0.8
486.31094	0.4
491.32159	1.6
503.32285	1.0
521.33374	100.0
522.33771	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.8
57.03322	5.4
58.00461	0.9
59.01252	18.9
59.32790	0.2
61.98698	2.8
67.01767	0.4
68.99680	0.5
69.03324	1.0
69.36959	0.5
69.37360	1.8
71.01254	30.9
72.01588	0.7
72.99188	1.4
73.02817	13.4
75.00744	1.0
83.01257	7.3
84.02048	0.2
85.02821	17.4
85.06464	0.4
85.99961	0.7
86.03144	0.3
87.00755	3.1
89.02316	3.8
93.03352	0.2
93.06971	3.9
94.07334	0.3
95.01256	3.2
97.02819	1.2
97.06464	0.7
98.20634	0.4
99.00757	4.5
99.01366	0.4
99.04390	0.3
99.08045	0.4
101.02322	27.2
102.02637	0.6
108.93628	0.3
109.06451	0.4
111.00764	4.1
111.08020	0.5
113.02332	12.5
118.62374	0.2
119.03393	0.7
123.08083	0.3
125.02361	1.2
129.01854	1.3
131.03360	0.5
134.03551	0.4
135.04460	0.4
141.01828	0.6
143.03406	1.1
143.10699	1.6
147.02794	0.3
149.02397	0.3
149.04472	1.1
150.03052	0.3
150.04745	0.3
159.02896	3.5
161.04468	9.5
161.13225	0.3
162.04822	0.3
163.11203	0.3
164.04688	0.7
165.12756	0.3
171.10194	0.3
173.04453	0.4
179.05681	0.3
179.07103	0.5
181.12242	0.8
183.13765	0.5
191.05559	1.3
193.04999	0.7
207.10219	0.3
209.11745	0.3
211.16991	0.4
225.11307	0.7
226.11775	0.3
227.12816	2.0
228.13326	0.3
229.18056	7.3
229.20375	0.4
230.18431	0.6
243.16034	0.6
257.10632	0.3
272.02908	0.3
283.13278	0.7
299.01889	0.4
299.25674	0.4
300.02356	0.5
305.16232	0.4
309.15143	0.4
311.12888	0.5
327.15991	0.7
329.23248	0.3
329.26743	0.3
343.24902	0.4
345.17261	0.8
359.28043	7.0
360.28302	0.5
371.14841	1.0
371.24515	0.6
373.25909	2.6
374.26294	0.3
389.17990	0.4
389.25415	8.9
390.25644	1.2
391.23343	17.2
392.23648	2.4
449.99521	0.3
461.31223	1.3
485.30759	0.5
491.19272	0.7
491.32327	1.5
492.32626	0.3
503.19614	0.9
503.32327	1.0
504.32547	0.4
514.54224	0.3
519.31696	0.6
521.33350	100.0
522.33685	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	8.4
57.03323	6.2
58.00463	1.3
59.01252	33.1
61.98704	7.4
69.03323	1.3
71.01254	30.5
71.04898	1.3
71.50548	0.9
72.01586	1.1
72.99168	2.1
73.02821	14.6
75.00752	5.0
80.64757	0.6
83.01260	7.1
83.04894	0.7
83.63387	0.5
85.02827	17.3
87.00749	24.6
87.04401	0.8
89.02320	8.5
93.03319	0.8
93.06983	0.7
95.01272	2.1
97.02802	0.9
97.06476	2.6
99.00777	3.8
101.02322	26.8
103.03869	0.6
103.14429	0.5
111.00759	2.5
111.08073	0.9
113.02335	11.7
119.03403	3.3
123.08043	1.1
125.02349	1.4
125.09596	3.4
127.11172	2.3
129.01826	2.9
131.03404	1.3
133.02821	0.8
135.04407	1.6
137.09657	2.9
141.09088	0.8
143.03389	1.0
143.10612	0.7
147.02902	5.7
147.04028	0.8
147.04393	0.6
149.04462	8.1
153.09106	1.0
153.12775	0.8
155.10687	2.8
159.02867	2.6
159.04294	0.8
161.02400	0.8
161.04474	6.2
161.05725	1.0
163.03905	0.8
163.06046	1.3
169.12230	0.7
171.10172	8.9
171.13870	0.9
172.05226	0.7
173.02307	0.7
173.04543	0.9
173.06001	1.0
175.03928	0.7
175.07552	1.4
179.05600	0.9
185.15341	0.8
186.06772	2.5
187.03964	1.4
187.07567	3.5
187.09021	0.6
189.05423	0.9
191.05522	3.1
193.16345	0.6
193.32156	0.7
196.05402	0.7
197.05992	1.0
197.15402	1.1
200.04611	0.7
200.08397	1.4
201.05516	1.7
201.09174	1.1
201.14879	2.0
203.07056	1.0
204.07893	0.9
209.06242	0.7
211.07602	3.3
211.13347	1.0
213.09161	1.0
214.06306	2.2
215.07121	2.9
216.07794	0.8
217.08690	0.8
224.08305	0.7
225.05554	2.0
225.09152	5.5
226.09961	2.4
227.10683	2.1
227.12918	0.6
227.16394	0.9
228.07884	1.1
229.08705	3.4
229.14333	1.3
229.17996	2.6
230.09241	0.9
230.15134	1.4
236.08507	0.7
237.09073	0.8
239.07034	3.9
239.10770	2.1
240.07961	0.9
241.12332	0.7
243.19629	1.3
244.07336	1.8
252.11259	0.7
253.08659	3.0
254.09450	5.5
255.10199	2.5
255.13924	3.5
257.11755	2.2
265.08649	0.7
265.12366	1.7
267.10251	2.4
269.11810	2.0
270.12442	1.3
273.14822	0.9
277.12912	1.5
282.09009	1.1
283.13367	16.1
284.13760	3.1
285.20624	0.7
297.11252	0.7
298.12033	2.5
299.12662	1.0
299.16403	1.8
301.14474	2.8
309.15091	2.9
310.15356	0.7
311.12854	18.5
312.13229	2.2
327.12546	1.0
327.16006	23.8
327.21771	1.0
328.16245	3.2
329.13782	1.1
341.13901	0.8
343.24911	1.0
345.17038	7.1
346.17102	0.7
353.14087	1.6
355.25027	1.4
359.28021	14.2
360.28375	2.0
371.14957	22.9
371.24518	1.7
372.15250	3.4
373.25928	100.0
374.26300	11.8
389.16052	11.9
389.21356	3.9
389.26324	2.9
390.16565	1.4
391.23450	3.8
405.24677	0.8
461.31274	1.4
503.19016	1.2
503.32175	1.4
521.32855	74.0
522.33313	9.3
531.60590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01254	5.1
69.14581	6.7
71.01247	4.4
71.38897	0.5
72.71061	0.6
73.02817	2.6
75.00800	0.6
85.02837	1.8
87.00745	0.9
89.02313	1.3
93.03314	1.3
99.00723	0.7
101.02328	1.7
113.02295	2.1
121.02857	5.4
122.03646	2.4
123.00726	1.0
123.04401	1.7
124.01550	0.6
133.02809	0.8
134.03621	9.3
135.04410	1.3
136.01491	0.9
136.05208	1.5
137.02335	2.1
139.03937	0.6
143.04959	0.7
147.04443	3.0
149.02357	3.9
149.04440	1.9
149.06023	2.0
150.03137	12.4
151.03947	3.5
155.10689	2.2
158.03618	3.0
159.04433	8.4
160.05223	26.8
161.04547	1.4
161.05957	7.0
162.02988	0.7
163.03935	5.6
164.04701	7.1
165.04053	1.1
165.05458	6.3
173.04544	1.1
173.06000	3.9
175.06058	1.4
175.07581	25.8
176.07906	1.7
177.05487	7.6
178.02673	3.4
178.06281	6.7
181.05008	2.5
183.04813	1.5
189.04012	0.7
191.05544	3.1
192.07893	1.1
193.05002	14.1
193.08614	3.2
194.05389	0.7
195.06525	3.2
199.09666	1.4
213.03903	0.7
213.11177	0.7
227.03778	0.8
243.12402	0.7
267.11456	1.1
329.13965	100.0
330.14285	12.5
331.14008	1.0
332.67139	0.6
341.10211	3.1
359.08188	1.3
359.14963	3.0
382.39038	0.7
389.12317	6.1
389.25330	2.3
420.22839	0.6
495.51434	0.7
521.17737	1.3
521.25854	0.8
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	Unknow
Peak:m/z	Relative Intensity
56.65695	0.9
57.03325	1.9
59.01251	56.8
61.98693	1.2
64.07430	1.0
70.37363	2.9
71.01255	3.3
72.99185	2.3
73.02818	2.6
85.02822	1.5
87.00751	100.0
89.02322	1.8
98.07329	1.0
99.04386	2.0
101.02318	2.0
103.21862	1.0
118.64502	0.9
131.03352	2.6
133.02827	2.8
134.03644	2.9
135.04396	1.4
144.05600	1.0
147.04346	1.3
149.04482	5.7
158.03619	2.6
158.07208	1.1
159.04414	4.5
159.07983	1.8
161.02403	1.5
171.04399	2.7
172.05199	6.1
173.02243	1.5
173.04640	1.2
173.05978	5.8
174.03180	1.5
174.06773	4.9
175.03914	1.4
177.01892	5.5
178.02431	1.5
179.03362	1.7
185.05942	2.0
186.06798	35.8
187.03960	1.0
187.07573	19.6
188.07907	2.3
191.05534	3.1
192.05827	1.6
193.05940	1.3
197.45708	1.0
200.04713	8.4
201.05521	15.5
201.09160	14.0
202.06177	4.2
203.07082	5.1
204.07791	1.3
205.08556	1.8
211.07559	2.2
211.13336	2.2
212.08311	2.0
213.09201	2.0
214.06302	72.6
215.07057	45.9
216.07420	2.1
219.06664	1.0
220.07347	1.2
229.08665	40.4
230.09357	17.0
231.10126	4.9
232.03842	1.6
232.07405	2.1
233.08144	2.8
247.09799	8.5
248.10385	3.3
273.07678	2.1
274.08441	10.7
275.09073	3.4
275.79227	1.1
283.13330	2.0
292.09396	1.2
309.15085	2.3
311.12860	17.3
312.13171	2.3
315.45288	1.0
327.16147	5.5
333.59515	1.1
345.16995	4.5
371.14981	12.6
372.14951	1.2
389.16071	22.3
390.16281	2.5
463.99487	1.2
503.19153	8.6
521.20355	8.2
521.32526	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41104	2.1
55.01760	4.2
57.03336	3.0
58.00473	4.7
58.22412	2.3
59.01253	100.0
67.06019	2.2
67.59305	2.3
69.03324	2.3
71.01254	79.3
71.05505	6.0
72.99182	4.8
73.02820	18.5
75.00744	3.3
79.37325	1.9
83.01265	3.7
85.02821	18.3
87.00779	7.4
89.02322	73.1
93.03336	4.3
95.01277	4.8
97.02853	2.8
99.00764	3.5
101.02329	39.7
109.02870	2.2
109.06470	2.1
109.65281	2.4
113.02332	29.0
113.96456	2.3
119.03385	21.4
123.95031	2.1
131.03416	3.6
133.02896	2.3
135.04425	4.1
143.03496	2.6
145.02870	2.7
146.03575	2.1
149.04482	17.6
151.03882	2.9
152.01114	2.9
161.04489	8.6
173.04448	3.3
179.05551	8.2
179.10712	2.3
181.12251	9.1
182.12572	3.2
191.05551	7.9
205.04858	3.3
224.04881	2.2
225.11348	8.3
226.11633	3.7
229.08492	2.9
238.06213	3.2
241.14355	3.6
255.10257	4.2
269.11926	2.4
283.09872	26.0
297.11319	2.5
298.12152	5.4
310.08319	3.5
311.09250	54.3
311.12805	5.1
312.09482	5.9
325.10791	7.6
326.11591	35.4
327.12317	2.7
327.16010	3.9
341.10150	12.1
341.13928	54.4
342.14285	7.8
359.15280	2.6
371.24319	4.2
389.17673	3.9
389.25656	28.9
390.25815	3.1
391.23697	3.4
521.21594	4.4
521.33905	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31512	0.5
57.03310	0.7
59.01252	4.5
69.03329	0.4
71.01248	2.6
71.04787	0.5
72.83243	0.4
73.02814	1.5
75.00733	0.6
85.02830	0.9
87.00739	0.7
89.02314	1.5
89.03848	1.2
93.03329	2.0
98.19730	0.8
99.00780	0.5
101.02326	2.0
105.03336	0.5
109.02814	0.5
113.02317	0.6
117.03326	2.8
119.37202	0.5
121.02853	4.7
122.03620	6.1
123.04391	0.8
125.02378	0.6
131.03383	1.3
133.02837	3.4
134.03630	47.5
135.02994	0.4
135.04056	1.5
136.01549	0.6
137.02336	7.9
137.09596	0.7
137.67648	0.5
139.03926	2.3
149.01244	0.9
149.02348	11.0
149.04272	0.8
149.04593	0.7
149.05980	10.9
150.03128	48.6
151.03476	2.3
152.07083	0.5
153.01793	0.8
155.10687	2.1
161.02344	0.8
161.04518	0.5
164.04683	1.9
165.05476	53.5
166.05844	2.9
173.04514	1.9
177.01814	1.1
178.02631	26.8
179.03096	1.9
180.04204	3.6
181.04953	0.8
191.05534	2.9
193.04987	100.0
194.05333	4.5
194.44762	0.5
195.06555	37.5
196.06856	1.6
197.11818	0.9
199.09758	1.3
225.11215	0.5
227.03731	0.6
241.05350	0.5
282.09030	1.8
331.13522	0.5
341.10306	4.3
347.07623	2.0
359.11612	0.9
373.15073	0.5
375.16534	0.5
377.02524	0.5
389.12500	3.7
389.25439	1.4
390.12924	0.8
394.72934	0.5
521.10406	0.6
521.16376	0.9
521.23279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.4
59.01251	11.0
61.70200	0.9
71.01251	3.9
71.29642	1.8
73.02817	1.7
85.02798	2.5
87.00732	1.5
89.02306	3.5
93.03333	3.6
94.83273	1.1
101.02325	2.7
113.02333	2.2
117.03333	1.6
119.03458	1.1
121.02847	6.5
122.03603	5.0
130.83255	1.0
133.02870	3.0
134.03629	35.4
135.04372	1.9
135.06541	1.5
137.02341	4.9
137.09578	3.3
139.03987	1.5
144.25264	1.1
149.02345	12.2
149.04555	2.2
149.05965	9.0
150.03137	36.4
151.03572	1.7
163.07588	2.0
164.04633	1.9
165.05481	42.0
166.05925	2.0
173.04425	1.7
178.02637	21.1
179.03215	1.3
179.10663	1.7
180.04193	2.7
181.08618	2.7
191.05504	4.5
193.04994	100.0
194.05458	5.0
195.06563	41.3
196.06883	2.8
197.11716	1.1
199.09599	1.4
207.39781	1.2
236.24039	1.0
239.07117	1.8
243.12347	1.2
250.06274	1.6
267.06607	1.6
278.70523	0.9
282.08929	4.9
287.09088	1.4
297.11755	1.5
299.09146	2.0
306.98334	1.0
341.06219	2.3
341.10281	38.1
342.10565	4.1
347.07724	2.2
389.12421	12.1
389.17612	1.8
395.10999	1.0
521.22577	23.3
522.22583	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	521.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01250	100.0
60.01597	1.3
61.98695	0.8
66.84897	0.4
71.01253	2.8
71.50684	0.5
72.99203	0.5
73.02805	0.9
83.01225	0.4
83.04917	0.4
85.02835	2.4
87.00742	6.5
89.02325	1.8
93.03362	1.4
101.02347	2.3
101.02927	0.4
102.41656	0.4
104.43385	0.4
107.04926	0.8
108.02062	2.4
111.04392	0.6
112.93518	0.4
113.02359	1.1
121.02823	3.1
123.04411	3.2
133.37109	0.4
135.00786	0.6
135.04445	0.6
146.03677	0.8
147.04430	1.2
149.04433	3.2
151.03973	1.0
158.03682	0.5
158.07286	0.4
159.04427	0.9
161.04422	0.5
167.03441	0.6
172.05267	1.2
173.04521	0.9
173.06024	1.4
174.06815	0.6
175.07550	0.9
177.01920	0.8
186.06775	2.3
187.03934	0.5
187.07578	1.5
191.05528	5.1
192.05826	0.8
196.50780	0.4
200.04681	0.9
201.05522	1.2
201.09235	1.2
202.06212	0.7
203.07127	1.1
204.07906	0.8
209.11772	4.3
210.12227	0.5
211.07657	0.6
214.06325	2.8
215.07179	2.0
219.06621	0.8
220.07452	0.6
225.05496	2.1
225.09151	0.8
227.10757	0.5
227.13054	0.5
229.08752	2.0
230.09464	0.8
232.07408	0.8
239.11069	0.6
248.10381	0.6
254.09563	0.6
255.13887	0.8
257.08170	20.9
258.08484	1.9
274.08566	0.6
281.60330	0.5
283.13345	5.4
284.13821	1.7
299.16525	0.8
301.14435	1.1
302.15027	0.7
311.12979	2.8
327.16003	4.9
328.16501	1.0
345.17130	1.6
346.17453	0.6
353.14157	1.1
359.28067	0.9
371.15024	3.2
389.16031	2.6
479.32541	1.1
504.21088	0.7
504.71716	1.7
505.21936	0.6
520.32385	0.6
521.21002	0.8
521.33484	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32494	2.2
59.01253	28.0
64.60952	1.8
69.16209	22.1
71.01260	12.0
73.02811	2.7
75.00743	7.3
80.48861	1.7
85.02841	4.2
87.00713	2.7
88.98685	2.4
89.02332	10.3
98.20615	2.9
101.02319	8.8
113.02309	3.6
121.02847	13.7
122.03638	4.3
131.03372	3.8
134.03636	43.1
135.03957	1.7
135.04283	1.7
137.02325	7.7
139.03966	2.7
149.02368	17.0
149.04454	6.6
149.05966	14.3
150.03128	51.0
161.04507	2.9
164.04608	4.7
165.04037	2.5
165.05470	59.0
166.05966	2.5
173.04475	2.5
178.02643	29.2
180.04178	4.9
181.08623	2.5
183.10176	4.3
187.62068	1.9
191.05585	11.7
193.04996	100.0
194.05324	4.1
195.06554	44.4
197.11742	6.9
221.27100	2.3
239.07062	3.2
241.10777	7.7
243.12299	8.4
282.08945	8.6
305.24664	2.0
341.10300	38.2
342.10556	6.8
373.15231	3.4
389.12543	12.7
389.18103	2.4
521.18781	7.5
546.71637	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	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32594	0.2
58.39148	0.2
59.01276	0.2
67.52769	0.2
71.21174	0.2
78.95775	44.2
95.71021	0.2
96.96840	6.1
112.68903	0.2
125.86575	0.2
150.97925	1.6
152.99489	100.0
153.99843	1.5
171.00575	3.8
173.31310	0.2
251.29739	0.2
279.23242	1.1
428.55945	0.2
433.23584	20.5
434.23975	2.5
520.26831	4.0
521.27185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.7
61.98700	0.3
71.49738	0.7
78.95776	42.8
96.96846	5.0
105.80518	0.3
126.26046	0.4
149.61719	0.4
150.97914	1.1
152.99490	100.0
153.99715	1.8
155.47662	0.3
171.00568	4.2
180.18204	0.4
226.72162	0.4
279.23273	1.1
300.18622	0.4
433.23593	23.4
434.23843	3.1
520.20337	0.5
520.26971	4.2
521.27026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65928	0.8
54.60180	0.8
55.01750	3.6
57.03323	3.5
58.00461	1.6
59.01251	40.6
60.01585	1.1
61.98703	100.0
69.03321	1.1
69.72405	2.9
69.72822	2.0
71.01255	27.1
71.04881	1.2
72.99181	2.2
73.02817	15.3
75.00748	2.4
83.01266	5.9
85.02821	10.9
85.06489	0.8
87.00742	8.2
89.02322	9.5
93.03342	3.4
95.01295	2.4
96.95934	1.0
97.02833	1.4
97.06457	2.5
98.19873	1.2
99.00764	2.9
99.04395	1.5
101.02326	23.4
105.03339	2.5
106.03646	1.4
111.00777	2.1
113.02333	11.5
114.34024	0.8
119.03365	2.9
123.04398	1.1
123.08125	1.3
125.02324	1.4
129.01826	1.3
131.03410	1.5
133.02855	13.1
134.03072	4.7
135.04410	3.0
136.04820	1.3
137.02365	2.3
143.03415	2.0
149.04446	6.4
159.02919	1.9
161.02341	3.0
161.04472	7.1
165.03889	1.1
171.10168	0.9
173.04518	1.6
177.01848	11.2
178.02205	4.8
179.03348	2.7
183.13861	4.4
185.11806	1.2
191.05569	8.1
201.14903	0.9
209.11797	1.0
217.90108	0.9
221.06448	0.9
225.09225	1.2
227.12825	10.8
253.32573	1.1
257.17584	4.1
258.42685	0.8
271.02591	0.9
283.13425	4.4
301.14459	1.0
303.16141	1.0
311.12796	4.9
327.15985	4.1
343.24792	1.5
345.17130	1.6
346.13019	0.9
359.17065	1.5
359.28015	7.7
371.14893	5.6
371.24261	1.5
372.24844	1.4
373.25974	10.8
386.12262	1.0
388.20230	1.2
389.16376	1.6
389.25436	7.2
503.32138	1.4
519.31683	1.2
520.13892	1.0
520.32819	4.1
521.21082	1.8
521.33661	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.4
57.03322	2.8
59.01249	38.1
60.14891	0.4
61.98703	4.8
69.03311	0.6
71.01257	14.1
71.04894	0.7
71.50483	0.5
71.50909	0.5
72.99175	1.3
73.02816	6.7
75.00746	6.3
83.01259	2.7
85.02827	5.7
85.06418	0.5
87.00731	1.8
87.04381	1.1
89.02312	6.9
93.03316	1.3
95.01248	0.6
95.04870	0.6
97.02824	0.7
97.06452	1.5
99.00754	0.9
99.04416	0.6
101.02322	10.5
109.02804	0.8
111.00758	0.6
111.04432	0.7
113.02316	4.9
113.05996	0.7
114.02629	0.6
116.92696	0.5
119.03376	1.8
121.02807	0.5
123.08030	1.4
125.02331	0.8
125.09608	3.7
129.01834	1.3
131.03387	0.8
133.02835	2.2
134.03578	0.5
135.02873	4.0
135.04411	1.6
137.02310	0.6
139.11168	1.4
141.09070	0.5
141.12759	1.1
143.03433	0.9
143.10684	0.6
147.02899	5.5
149.04453	5.4
151.03909	0.4
151.11168	0.6
153.09090	0.9
159.02853	1.3
161.02324	1.0
161.04451	2.1
161.05931	1.0
165.01830	2.0
165.04022	1.3
169.12161	1.1
171.08762	0.9
171.10175	11.3
172.10477	0.5
173.04504	1.1
174.03128	0.6
175.03876	0.5
177.01868	1.2
179.03410	0.7
179.05508	0.8
185.11684	0.5
189.05556	0.8
191.05527	5.2
193.01349	0.6
196.73758	0.4
197.11757	0.9
199.03845	0.6
200.10455	0.6
202.06219	0.6
209.81454	0.4
215.12801	0.8
227.07158	0.6
227.12698	1.1
228.13670	1.1
229.08302	0.5
243.02885	0.9
245.08197	1.1
255.03018	0.7
271.02466	10.1
272.02847	0.6
277.12894	1.1
299.01947	12.6
300.02417	2.1
301.20197	1.9
311.22327	1.0
311.46927	0.5
314.04297	14.8
315.04965	5.9
315.25430	0.6
316.05487	0.5
323.22214	0.8
325.14429	1.0
327.21750	1.5
339.25485	0.6
341.23288	8.7
342.23709	0.9
343.15338	0.7
343.21167	0.8
353.23343	2.0
357.26312	2.8
358.26648	0.5
369.13519	1.1
369.22696	2.1
371.24365	100.0
372.24744	12.2
387.14749	0.9
387.19934	0.4
387.24002	4.9
388.24347	1.1
399.23715	1.3
417.24872	1.0
458.72318	0.5
459.29883	3.7
460.30920	0.5
477.10434	1.4
477.31131	2.1
501.30823	1.0
519.11578	9.9
519.28400	33.2
520.11859	2.1
520.28595	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	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03334	1.1
59.01249	100.0
60.01585	1.1
61.98714	1.3
62.35740	0.5
69.03339	0.5
69.74519	1.5
69.74952	2.0
71.01258	10.3
71.01627	0.9
72.99177	1.1
73.02820	5.4
75.00738	2.5
83.01256	1.4
85.02817	4.5
87.00766	2.0
87.04404	0.7
89.02309	4.7
95.01266	1.0
99.00728	1.0
101.02323	9.2
101.05953	0.9
113.02315	4.3
119.03396	1.5
125.02349	1.1
131.03453	0.8
135.02882	11.0
135.04422	0.9
143.03461	0.7
149.04491	2.1
156.01443	0.5
161.02359	0.6
161.04475	4.4
165.01828	1.5
165.03938	0.6
173.04591	0.8
174.52132	0.5
179.05551	0.8
191.05580	1.7
199.04042	1.0
202.06464	0.6
203.06999	0.6
215.03339	0.6
226.02670	0.7
227.03477	1.0
227.07043	0.7
243.02950	1.2
245.08194	0.7
255.03122	0.6
255.19806	0.6
271.02490	13.9
272.02917	0.7
283.13333	0.9
290.08011	0.7
299.01959	20.3
300.02371	3.4
311.22482	0.7
314.04303	23.7
315.04953	7.1
315.18015	4.6
325.14413	0.8
327.15982	0.6
343.15469	0.9
357.19052	0.6
357.26575	1.7
357.84351	0.5
371.24475	0.7
387.14444	1.6
388.15012	0.6
399.23785	10.0
400.24036	1.1
417.24905	11.6
418.25232	0.9
459.09546	3.8
459.26099	1.8
477.23160	2.6
477.30447	0.6
519.11450	18.2
519.31873	12.4
520.11700	3.2
520.32031	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	519.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26816	0.4
53.60532	0.4
59.01242	1.3
61.98689	0.7
64.22809	0.3
77.80996	0.4
78.95779	47.7
90.56283	0.4
92.74886	0.3
96.96849	5.9
150.97935	1.4
152.99496	100.0
153.99835	1.4
170.48045	0.3
171.00539	4.0
187.29965	0.4
199.13330	0.5
206.64024	0.4
310.42349	0.4
347.29712	0.4
365.26767	0.7
519.27307	11.0
519.34570	0.7
520.27795	1.7
541.62494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.3
69.44143	7.9
71.01254	17.1
72.99147	1.0
73.02822	15.3
83.01262	1.5
85.02814	6.9
87.00770	1.9
89.02312	7.8
93.03375	1.5
95.01252	2.5
97.02853	2.5
101.02314	18.7
108.02054	1.7
113.02319	9.5
119.03396	3.3
121.02827	4.9
122.03647	1.8
131.03391	1.9
135.04425	1.0
136.01558	77.0
137.01970	3.0
143.03415	3.0
149.04472	2.3
151.03912	100.0
152.04288	5.3
160.05164	1.6
161.02393	5.6
161.04460	12.6
162.03139	1.7
163.11182	6.3
175.03914	1.2
175.07533	2.2
177.05553	1.8
179.05565	2.2
179.10768	1.9
181.12260	63.6
182.12614	4.2
207.10167	1.8
221.48810	1.2
225.11278	33.4
226.11653	2.0
267.12460	1.6
279.12421	2.1
297.13458	2.8
327.14169	1.2
342.11084	4.5
354.62350	1.0
357.13214	84.1
358.13644	9.9
387.16565	5.1
387.23962	1.3
429.17603	1.8
519.13782	1.3
519.20746	18.6
519.32074	1.4
520.21454	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.2
55.01978	0.8
57.03321	5.1
59.01253	38.9
69.19444	6.5
69.19872	3.1
71.01251	52.6
72.01592	1.1
72.99179	2.1
73.02818	28.4
75.00716	1.5
81.36142	0.9
83.01251	12.2
85.02827	24.0
85.99959	1.1
87.00740	3.1
89.02310	18.0
93.03334	1.0
95.01228	3.1
97.02808	1.1
97.06426	1.1
99.00759	8.2
101.02321	46.5
102.02650	1.0
111.00684	1.1
113.02324	17.9
119.03419	2.2
125.02296	1.3
125.09547	1.0
129.01778	1.4
131.03355	2.7
143.03349	2.7
147.02914	0.9
149.04460	44.2
150.04832	1.9
152.12871	1.1
159.02858	3.2
159.04140	0.9
161.04459	14.9
179.05455	1.0
191.05525	4.4
265.18085	1.8
315.18176	5.7
325.14230	0.9
343.21222	10.6
357.19177	2.7
371.24371	7.5
372.24222	1.4
387.20172	100.0
388.20486	9.8
438.10794	1.0
475.25467	4.8
477.22961	2.5
493.87326	1.0
519.24268	35.3
519.31097	2.7
520.24817	5.0
530.01154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86973	1.4
55.01757	3.8
57.03320	4.1
59.01249	100.0
60.01586	1.6
61.98702	32.9
63.52612	1.4
68.66691	1.5
69.03307	1.8
69.29233	5.2
69.29657	8.6
71.01251	39.5
71.04903	1.8
71.55520	1.2
72.99184	3.7
73.02822	25.5
75.00761	8.5
76.18137	1.4
83.00822	1.3
83.01261	7.7
84.08064	1.3
85.02824	16.1
86.23405	1.4
87.00751	6.7
89.02324	16.5
89.96003	1.2
93.03319	2.6
95.01291	3.4
96.95924	1.8
97.02792	1.9
97.06438	1.6
98.20571	3.0
99.00764	4.6
99.04365	1.4
100.44632	1.3
101.02321	36.4
101.06062	1.5
106.15437	1.7
109.02821	1.5
111.00693	1.8
113.02325	16.2
116.92766	1.6
117.01856	1.6
119.03394	5.9
121.02895	3.0
125.02325	3.6
131.03410	5.2
133.02826	2.2
134.03635	3.0
135.00797	1.5
135.02904	28.9
135.04419	4.6
136.03223	1.3
136.64717	1.4
143.03410	4.0
149.04477	20.7
159.03027	1.5
161.02365	3.4
161.04489	11.9
161.05811	2.6
161.67126	1.5
165.01839	6.1
171.10164	2.0
173.04489	3.7
174.03241	1.4
175.03964	3.2
179.03473	3.1
179.05577	1.7
191.05536	10.3
194.01866	1.4
199.03951	1.7
221.06645	2.5
227.03513	2.8
227.07132	2.7
243.03052	4.7
245.08168	3.0
271.02466	32.7
271.19144	4.1
272.02844	2.2
285.04126	1.5
297.14584	1.5
299.01941	60.1
300.02411	8.8
301.20184	4.8
314.04306	62.6
315.05017	24.3
315.18091	2.5
320.01331	1.5
325.14395	2.2
327.21814	1.7
327.25580	3.5
339.25381	2.4
341.27048	1.6
343.15475	1.5
343.21283	3.4
343.25095	1.9
345.19348	2.7
357.26385	12.4
371.14478	1.5
371.24463	8.0
387.14716	3.3
387.24036	6.8
399.24020	2.8
433.24454	2.1
475.25314	16.1
476.26028	2.0
477.10474	3.0
477.23621	2.8
477.30746	2.4
501.30969	2.7
519.11432	40.5
519.25287	4.1
519.31836	81.3
520.12170	6.4
520.31976	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	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89991	1.1
54.26601	1.2
57.03332	1.8
58.00471	2.8
59.01248	69.5
61.98693	1.9
69.03329	5.3
70.22171	1.1
71.01254	41.9
72.99187	4.4
73.02817	18.6
75.00754	3.2
81.03313	2.9
83.01265	5.1
85.02821	16.4
87.00755	4.8
87.04329	1.4
89.02310	25.7
91.01768	8.6
93.03342	10.3
95.01278	1.8
97.02823	6.0
99.00755	2.9
101.02320	34.6
103.03895	25.9
107.04918	1.8
109.02831	1.6
113.02334	3.0
115.03934	1.5
119.01283	3.8
119.03401	16.9
121.02850	11.8
125.02339	29.6
126.02733	2.2
127.03912	4.8
133.02844	1.4
135.04457	2.1
137.02344	9.5
140.97803	1.3
143.03394	3.9
145.04965	4.0
149.04483	2.4
151.03915	100.0
152.04242	4.5
153.01820	4.1
161.02306	2.3
161.04463	1.6
163.03850	3.5
163.06015	22.5
168.04187	3.8
173.04553	1.3
179.00034	1.7
183.06587	3.9
191.05528	3.8
205.07126	1.6
247.08220	11.6
292.10696	1.2
307.10358	23.6
308.10660	2.3
316.34085	1.3
339.12061	1.8
427.12503	3.6
506.39737	1.6
519.15247	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	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44731	2.0
57.03315	2.7
58.00483	3.2
59.01247	47.3
61.55244	2.0
63.87192	2.0
70.32448	5.6
70.32853	4.8
71.01252	47.3
72.99165	3.0
73.02820	19.7
85.02828	11.2
87.00751	4.4
87.04448	2.3
89.02321	36.0
95.01266	4.4
95.04893	2.7
95.55512	2.2
97.02834	4.6
101.02322	28.1
113.02322	21.5
119.03394	11.7
121.57706	2.2
131.03378	8.9
133.02890	2.6
134.38179	2.1
135.11716	2.6
143.03389	4.3
145.02803	2.5
149.04443	15.8
159.08058	2.3
161.04463	10.1
163.11205	16.8
163.29286	2.4
179.05510	3.1
179.10739	4.9
180.11020	6.3
181.12265	74.8
182.12576	5.5
191.05513	3.4
207.10258	6.4
217.12283	4.6
222.40822	2.4
223.09628	4.1
224.10117	3.7
225.11295	100.0
226.11560	6.1
261.11206	4.3
263.07074	3.7
264.07547	2.9
275.06989	2.4
279.12354	10.3
281.08173	8.7
291.06671	2.7
293.08115	2.9
297.13550	11.1
309.07693	35.6
310.08133	5.7
315.38156	2.4
324.10117	18.3
339.08685	4.6
339.12332	38.0
340.09067	2.9
340.12799	3.7
357.15738	24.1
387.16635	11.6
387.24084	4.2
429.17624	7.9
519.20685	42.5
519.27899	3.6
520.21576	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	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03008	0.3
56.04724	0.4
57.03320	1.0
59.01248	12.8
60.52917	0.4
61.98703	11.9
69.48496	0.8
69.48908	2.3
71.01256	4.6
71.04884	0.5
73.02807	1.6
75.00728	0.8
77.03829	1.4
78.95785	1.0
83.01240	0.6
83.04836	0.4
85.02834	1.8
87.00734	1.0
87.04395	0.6
88.98709	0.5
89.02325	2.5
89.03860	0.7
93.03359	0.9
95.04900	4.5
97.06493	0.8
99.04392	0.8
101.02339	3.2
105.03342	16.4
106.03686	0.7
107.04932	0.4
113.02335	1.5
119.03360	0.8
119.04893	0.6
121.02869	0.9
123.04401	2.1
123.07943	0.4
125.02338	0.8
131.03374	1.0
132.02100	0.9
133.02847	100.0
134.03569	6.1
135.04420	8.6
135.48039	0.4
136.04652	0.5
137.02354	3.9
139.03940	1.1
143.03372	0.7
146.78088	0.4
147.16859	0.4
149.02356	0.8
149.04466	5.5
149.09587	0.5
151.03873	0.7
160.01508	0.8
161.02353	2.6
161.04462	0.7
163.03923	0.9
173.04451	0.4
173.31783	0.4
177.01849	81.0
177.61139	0.4
178.02591	14.5
179.03400	6.6
179.06996	1.0
181.12253	1.0
185.11926	0.4
188.69136	0.5
191.05539	1.2
193.05042	1.2
194.05733	0.9
207.02919	1.3
209.08151	3.5
225.11322	1.8
229.80588	0.4
271.06015	1.1
309.06186	0.5
313.10562	0.4
313.49496	0.4
343.11874	1.2
357.09775	1.7
369.09692	3.1
371.24393	2.0
387.10690	4.3
387.23895	9.3
388.24326	0.6
505.14737	0.4
519.20813	0.6
519.28522	1.7
519.31219	1.8
519.70850	0.5
520.21222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1718
Annotation	Gonocaryoside A
Peak:m/z	Relative Intensity
58.00460	0.8
59.01252	36.9
61.22623	0.6
66.82144	0.7
71.01250	21.7
71.04443	1.3
72.99176	1.9
73.02814	25.6
74.03154	0.8
83.01256	6.4
85.02819	2.4
87.00749	2.2
89.02310	14.3
91.20275	0.6
95.01270	0.7
101.02322	26.0
102.02695	0.8
113.02315	5.6
119.03386	12.1
121.13960	0.6
123.04411	2.6
125.02350	0.9
130.24588	0.6
131.03394	1.3
135.04411	93.1
136.04765	4.1
143.03331	1.0
153.05542	3.1
161.04480	2.3
179.05551	1.4
182.65230	0.7
191.05569	1.4
198.43915	0.5
203.05472	0.7
261.53967	0.7
288.83887	0.6
297.10068	0.9
315.10852	59.2
316.11203	5.4
356.51675	0.8
357.11887	100.0
358.12195	9.2
424.44073	0.7
459.15106	1.1
477.16205	2.4
519.17096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56248	1.3
57.03334	2.5
59.01250	26.6
60.39968	1.0
61.98701	5.9
63.02266	2.2
65.00188	5.4
71.01260	10.9
73.02818	4.8
83.01263	6.8
85.02822	3.5
87.00756	2.3
89.02315	6.2
90.09600	1.1
93.03346	8.9
95.04917	2.2
97.06468	1.6
98.20667	2.4
99.00746	1.2
99.04415	1.8
101.02333	8.5
105.03349	7.2
107.01276	12.5
108.02039	2.6
113.02320	4.5
119.03397	1.2
119.04921	30.1
125.02374	1.6
126.21598	1.2
133.02856	41.7
134.03581	2.3
135.04407	5.1
137.02319	2.1
141.43726	1.2
145.02861	1.6
149.04449	7.0
149.08276	1.2
149.09569	2.4
151.00288	47.0
161.02371	1.5
161.04427	2.6
161.05885	1.1
163.03929	2.9
164.01105	2.9
165.01833	3.5
169.01381	1.9
173.04501	2.0
177.01877	38.8
178.02541	5.6
179.03339	3.3
179.07053	1.5
185.11839	1.9
187.03998	1.3
191.05544	3.8
193.08571	1.8
213.15056	1.8
227.03606	1.4
229.28424	1.1
231.77032	1.2
247.57968	1.2
249.64586	1.2
255.03008	2.7
255.08658	1.6
271.06128	100.0
272.06476	8.7
283.02408	3.9
300.02817	1.9
343.24866	3.6
351.17767	1.3
357.26184	2.0
371.24484	4.4
387.14764	1.6
387.23978	10.4
475.12476	35.3
476.12701	5.5
519.31213	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	517.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01580	1.4
61.98708	1.0
64.72342	0.5
71.49300	1.0
115.25947	0.5
121.02853	0.5
127.40932	0.5
145.06557	0.8
179.51201	0.4
188.04713	0.6
191.03549	0.7
191.55898	0.6
211.13387	0.8
225.22711	0.6
234.05382	0.7
249.07637	4.5
250.08130	0.9
410.60278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01575	0.9
61.98706	1.1
68.93900	0.9
71.49625	0.8
78.95779	3.3
114.41182	0.8
120.86433	0.8
123.00788	0.9
138.03145	1.3
143.03966	0.8
152.99484	9.1
161.18188	0.8
188.95343	0.9
227.05440	1.9
337.62311	0.8
431.21857	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04517	0.7
59.01250	100.0
60.01585	0.9
61.98713	1.9
74.04579	0.7
78.95773	9.6
90.05374	0.8
96.96866	1.0
118.45396	0.7
118.63457	0.8
120.42477	0.7
152.99500	16.3
171.00604	1.6
246.61481	0.7
249.07779	1.4
346.21521	0.9
431.22003	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	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.78941	0.2
52.82016	0.2
57.03309	0.3
58.84334	0.2
59.00993	0.2
59.01250	2.5
60.01553	0.2
63.02285	0.4
63.52284	0.2
64.41464	0.2
65.00162	1.1
65.48206	0.2
69.23204	1.9
71.01244	1.1
73.02811	0.5
83.01266	0.4
85.02814	0.4
87.00726	0.3
89.00195	0.3
89.02315	0.4
89.87595	0.2
93.03320	0.5
97.02827	0.5
101.02314	0.9
107.01273	0.5
108.02075	0.4
109.02832	2.7
109.05055	0.2
113.02312	0.4
121.02831	3.2
133.02823	0.3
135.04451	0.3
147.00803	0.3
148.01579	0.3
149.02335	0.5
149.04437	0.4
151.00279	1.3
161.02344	0.3
161.04480	0.4
163.00299	0.7
163.03925	0.2
165.01848	11.0
166.02173	0.4
171.04393	0.6
173.02390	0.3
173.04565	0.2
175.03918	0.7
179.03337	0.3
183.04457	0.3
187.03903	0.6
190.02602	0.2
190.99867	0.4
191.03586	0.3
191.05537	0.5
193.01375	2.0
198.03146	0.3
199.03931	2.9
201.01846	0.8
203.03461	0.5
207.02966	0.3
215.03448	1.6
225.01819	0.4
226.02606	1.0
227.03458	4.0
228.03990	0.4
229.01456	0.2
241.01265	0.3
242.02170	0.8
243.02946	6.4
244.03436	0.4
254.02184	1.8
255.02927	2.9
256.03714	0.4
257.04480	0.6
259.06018	0.5
269.04480	1.9
270.01563	0.9
270.04501	0.3
271.02466	66.5
272.02878	5.6
282.01645	0.5
285.04034	2.8
286.04645	0.4
287.05655	1.0
297.04022	0.7
299.01953	100.0
300.02505	13.4
301.03174	0.7
314.04303	93.0
315.05023	56.5
316.05438	4.7
357.06039	0.9
357.26459	0.5
371.24417	0.7
459.09384	0.4
477.03885	0.4
477.10361	4.5
478.10791	0.5
519.11426	74.1
519.32092	3.2
520.11786	11.7
530.35242	0.2
544.05695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15672	0.8
57.31863	0.7
59.01250	65.2
60.79381	0.8
61.98715	1.1
71.49612	0.7
74.83326	0.8
78.95776	47.6
83.04877	0.9
85.88634	0.9
96.96830	5.9
98.45008	0.9
150.97917	1.9
152.99496	100.0
171.00549	3.0
171.39705	0.9
201.72691	0.8
206.75566	0.8
260.75385	0.8
298.91327	0.8
431.22012	19.8
486.95242	0.8
517.31641	1.5
518.25244	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	517.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90765	0.2
59.01250	100.0
60.01591	1.2
61.98708	0.3
71.20712	0.3
71.21049	0.3
78.92178	0.2
107.62742	0.2
299.45694	0.2
332.77603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98693	3.9
69.03320	2.2
71.41766	1.6
78.95782	1.9
83.39758	0.9
93.03342	1.2
95.33566	0.9
97.72880	0.9
112.97332	1.0
112.98103	1.0
113.83957	1.2
121.02831	2.0
129.87546	1.1
141.23961	1.0
142.92151	1.2
246.20961	1.3
247.22598	1.1
249.07623	3.9
249.20660	1.0
250.08165	1.5
270.51132	1.0
271.92236	1.2
307.19058	1.7
349.74200	1.1
422.07544	1.3
488.99158	1.4
517.32202	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14950	0.4
52.01838	0.4
53.95646	0.3
55.01759	0.4
57.03327	0.9
59.01250	100.0
60.01588	1.2
61.98705	4.3
63.99126	1.1
71.01257	6.6
72.99177	0.5
73.02822	4.4
75.00792	0.5
83.01270	1.1
83.04889	0.6
85.02815	2.0
87.00752	1.5
88.16895	0.3
89.02315	9.7
93.03336	1.1
94.10800	0.4
97.02848	0.5
98.20567	1.7
99.00777	0.5
101.02328	3.8
103.03890	0.5
108.02052	0.5
109.02918	0.5
110.83002	0.5
113.02345	2.9
119.03418	0.9
119.05001	0.4
125.02349	0.6
131.03397	2.1
135.04416	0.8
138.01892	0.9
143.03471	0.5
149.04463	26.3
150.04808	1.0
151.00252	0.5
152.01097	1.4
161.02321	0.5
161.04431	3.1
161.09703	0.6
165.03981	0.9
173.04488	1.0
178.99777	1.0
179.10736	1.7
191.05502	4.2
202.01454	0.5
203.10741	2.3
208.00092	1.4
221.11829	0.6
223.09792	1.6
229.92798	0.5
262.76227	0.4
271.02332	0.5
281.01483	0.5
299.02200	0.7
299.11356	8.2
300.11856	0.5
314.97913	0.4
315.01608	1.3
328.02002	0.4
341.12555	1.8
355.06973	0.6
385.14825	0.7
397.22495	1.7
415.23434	1.8
457.24414	3.9
478.07480	0.5
517.12079	2.8
517.18243	0.6
518.09882	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	517.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.4
56.67929	1.3
57.03296	3.3
59.01250	77.8
61.98694	5.4
69.03319	2.6
69.34760	5.4
69.35189	6.2
71.01250	28.2
72.99166	3.2
73.02811	16.0
73.64555	1.2
75.00743	3.2
81.03306	1.3
83.01272	2.1
85.02815	13.2
87.00757	5.2
89.02319	15.2
93.03336	5.0
95.01250	3.4
96.95886	3.5
97.02820	6.2
99.00729	2.2
99.04392	3.7
101.02325	23.7
109.02865	2.9
113.02313	14.2
116.92754	1.5
119.03368	3.3
123.04521	1.5
125.02320	3.6
125.05937	1.9
131.03394	4.5
133.10114	2.1
134.03621	2.1
135.04355	2.6
135.11685	12.5
136.60847	1.4
137.02333	1.9
143.03391	3.4
149.02534	2.6
149.04457	37.9
151.03848	2.3
159.08032	2.3
161.02385	3.2
161.04463	8.2
161.09628	9.0
165.01938	1.6
166.02716	1.6
166.05031	7.3
167.05385	3.8
173.04495	4.7
179.03383	2.9
179.10695	100.0
180.11003	6.3
180.92264	1.4
190.84157	1.4
191.05548	24.6
192.00606	1.9
194.05792	1.8
205.08623	2.9
223.09698	57.4
223.77774	1.5
224.10066	3.3
229.08701	1.3
277.10757	3.5
294.40775	1.6
295.11823	6.3
297.78403	1.3
325.12781	1.8
355.13937	37.8
356.14139	4.4
385.14883	5.0
397.22107	3.9
415.23206	2.8
427.15878	3.0
457.24356	2.0
473.23734	1.7
517.19348	21.6
517.30597	3.4
518.19379	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14950	0.4
52.01838	0.4
53.95646	0.3
55.01759	0.4
57.03327	0.9
59.01250	100.0
60.01588	1.2
61.98705	4.3
63.99126	1.1
71.01257	6.6
72.99177	0.5
73.02822	4.4
75.00792	0.5
83.01270	1.1
83.04889	0.6
85.02815	2.0
87.00752	1.5
88.16895	0.3
89.02315	9.7
93.03336	1.1
94.10800	0.4
97.02848	0.5
98.20567	1.7
99.00777	0.5
101.02328	3.8
103.03890	0.5
108.02052	0.5
109.02918	0.5
110.83002	0.5
113.02345	2.9
119.03418	0.9
119.05001	0.4
125.02349	0.6
131.03397	2.1
135.04416	0.8
138.01892	0.9
143.03471	0.5
149.04463	26.3
150.04808	1.0
151.00252	0.5
152.01097	1.4
161.02321	0.5
161.04431	3.1
161.09703	0.6
165.03981	0.9
173.04488	1.0
178.99777	1.0
179.10736	1.7
191.05502	4.2
202.01454	0.5
203.10741	2.3
208.00092	1.4
221.11829	0.6
223.09792	1.6
229.92798	0.5
262.76227	0.4
271.02332	0.5
281.01483	0.5
299.02200	0.7
299.11356	8.2
300.11856	0.5
314.97913	0.4
315.01608	1.3
328.02002	0.4
341.12555	1.8
355.06973	0.6
385.14825	0.7
397.22495	1.7
415.23434	1.8
457.24414	3.9
478.07480	0.5
517.12079	2.8
517.18243	0.6
518.09882	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	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03313	1.3
58.00449	1.0
59.01248	30.1
68.93054	0.9
70.83723	2.4
71.01254	25.6
72.99209	1.2
73.02827	7.0
76.79350	0.9
79.35782	0.9
85.02817	5.6
85.37622	0.8
87.00778	1.4
89.02318	18.1
95.01263	1.7
97.02786	0.9
101.02319	12.1
101.21565	1.0
102.10436	1.0
102.50954	0.9
111.04404	1.8
111.88883	0.8
113.02332	14.4
119.03397	3.9
120.05704	3.5
125.05996	1.1
127.09785	1.0
131.03397	5.3
133.10156	4.6
135.11700	19.2
137.02383	1.1
143.08551	1.1
146.07289	2.5
149.04448	11.9
149.09596	1.4
152.04742	1.9
159.08081	2.5
159.11720	2.5
161.04477	3.7
161.09637	32.5
162.09973	1.9
167.07037	1.5
179.05516	2.6
179.10693	100.0
180.11052	6.4
189.12872	1.1
191.05473	2.4
193.12218	1.1
201.64281	0.9
203.10719	8.8
205.08684	3.5
221.11772	3.7
223.09706	80.6
224.10033	4.3
251.12752	1.3
262.45468	1.0
265.10767	1.7
275.87253	1.0
275.90479	1.1
277.10727	1.3
295.11993	2.4
311.15002	1.8
337.13113	2.1
355.13977	29.5
356.14197	3.2
385.15076	14.2
386.15796	1.0
397.14993	1.1
415.52969	1.1
517.19293	40.1
518.19885	6.6
523.36688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03319	1.6
58.00466	1.1
59.01250	26.7
69.03313	2.2
69.55582	3.0
69.55995	3.8
71.01257	25.0
73.02818	14.1
75.00758	1.4
77.44482	0.9
83.01270	1.9
85.02820	7.8
87.00751	1.8
89.02319	13.6
89.30415	0.9
93.03304	1.2
94.23287	1.0
95.01260	1.6
97.02819	5.1
98.78394	1.2
101.02322	14.9
103.03970	1.4
107.04935	1.4
111.04407	1.7
113.02339	11.5
119.03391	1.9
120.05685	1.5
125.02217	1.2
125.05978	1.5
131.03395	5.9
133.10115	3.2
135.04417	1.2
135.11693	19.6
143.03415	1.3
146.07294	2.0
149.04459	25.0
159.08043	3.5
159.11679	3.1
161.04414	5.1
161.09641	22.8
162.09978	1.2
179.10695	100.0
180.11052	6.5
189.12805	1.4
191.05594	3.0
193.12274	1.9
203.10652	4.8
205.08626	3.6
221.11732	3.6
223.09702	76.4
224.10005	5.8
265.10770	2.2
277.10721	2.1
295.11819	6.0
304.32040	1.1
337.13031	1.1
355.13977	42.0
356.14386	2.9
385.15109	10.0
397.14780	1.4
427.16183	3.1
517.19312	34.2
518.19525	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	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	1.1
61.98702	1.0
71.01254	1.6
71.22087	0.4
73.02831	0.9
85.02842	0.9
87.00795	0.3
88.63728	0.2
89.02333	0.7
93.03346	0.9
95.01337	0.2
97.06448	0.2
101.02322	1.2
113.02333	0.5
115.54012	0.2
119.03407	0.5
119.14005	0.2
125.58340	0.3
133.02867	0.4
135.04489	0.4
138.04156	0.2
161.02396	0.4
173.04454	2.1
179.03494	0.5
191.05553	1.9
199.07652	0.4
216.08720	0.3
251.16545	0.7
297.14856	0.3
298.66803	0.2
341.14041	0.7
511.59488	0.3
515.28986	1.1
522.43738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03303	0.2
58.00468	0.3
59.01249	5.2
60.18075	0.1
67.28316	0.1
69.62840	0.1
71.01253	3.7
71.49414	0.1
71.49824	0.2
72.99180	0.3
73.02831	0.9
75.00742	0.5
75.70959	0.1
78.95817	0.1
83.01247	0.5
85.02825	0.8
87.00741	0.5
89.02321	2.9
91.03911	0.2
95.01233	0.3
96.35759	0.2
99.00768	0.3
101.02323	3.8
103.03865	0.3
108.74552	0.1
113.02330	1.9
119.03391	0.8
133.04985	0.3
143.03380	0.3
161.04463	1.5
179.05525	0.5
228.41312	0.1
235.08250	1.2
253.09271	14.3
254.09651	0.7
261.22263	0.4
263.61145	0.1
277.21970	0.2
279.23288	100.0
280.23642	11.0
287.61969	0.1
464.84235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80597	1.1
55.01749	4.5
57.03317	3.0
59.01250	63.4
63.78176	1.3
69.03299	1.7
69.35809	2.9
69.36211	10.5
71.01258	32.9
72.98787	2.7
72.99184	46.8
73.02812	10.8
75.00745	40.1
75.13628	1.3
83.01260	4.9
83.10867	1.2
85.02827	18.5
87.00739	3.0
87.04450	1.5
89.02325	13.1
93.03361	3.3
95.01263	7.5
97.02823	3.7
99.00744	1.3
101.02323	21.5
102.02653	1.3
111.04384	2.4
113.02332	36.5
113.19751	1.3
114.02628	1.7
118.10128	1.2
119.03388	5.2
120.99506	2.0
123.04421	1.5
129.01814	6.5
131.03395	5.3
133.02797	2.5
133.10159	2.2
135.04427	16.3
135.11667	9.9
136.04732	1.6
143.03416	3.8
146.07272	1.8
147.02887	2.3
149.04449	9.5
153.05472	2.6
159.08127	1.7
159.11658	2.1
161.02333	4.5
161.04463	12.5
161.09641	13.2
165.03964	100.0
165.33644	1.4
166.04269	3.6
173.04463	2.4
179.05550	2.1
179.10696	55.5
180.11041	3.1
191.05548	12.0
194.07027	1.2
196.63266	1.4
203.10757	7.9
205.08612	2.1
217.64355	1.3
221.11832	2.5
223.09705	52.1
224.09933	1.6
233.11711	1.3
265.10825	1.9
277.10828	1.6
295.11905	5.0
315.10797	4.8
325.06970	1.7
325.13129	1.4
337.12921	3.0
342.13852	1.3
346.24844	1.5
355.13931	9.3
356.14053	1.7
385.15112	13.4
443.15619	2.6
461.16577	41.4
462.17477	6.4
517.18726	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	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.2
57.03333	1.4
58.00461	2.3
59.01247	29.1
60.16809	1.3
67.01740	1.5
69.03316	2.6
69.98161	6.7
71.01249	26.8
73.02813	27.8
81.03316	4.3
83.04904	10.5
85.02813	11.0
86.05976	2.0
87.00740	3.6
89.02319	27.0
93.03333	77.0
94.03691	2.0
95.01261	1.6
96.95890	1.5
97.58047	1.4
99.00755	8.1
99.04381	10.4
101.02315	13.2
109.02834	3.1
111.04406	25.0
113.02320	9.6
119.03396	11.6
119.41328	1.2
129.01820	3.4
130.04987	3.3
131.08171	14.8
132.08366	1.4
133.02812	2.6
135.04410	18.0
136.04657	1.5
137.02315	19.6
137.50616	1.4
143.03381	6.9
155.03423	15.4
161.02332	10.1
161.04427	3.5
172.07187	4.6
173.04457	100.0
173.10350	9.9
174.04778	4.3
179.03453	16.3
179.05460	12.5
181.00409	1.4
191.05537	50.3
226.69853	1.4
323.07611	7.0
341.10956	64.0
342.11111	4.8
353.08755	3.2
408.77618	1.5
515.14087	9.9
516.14758	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	515.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.2
57.84583	0.5
59.01254	35.0
60.54493	0.6
61.98701	2.0
69.03333	9.6
71.01262	5.0
71.04898	10.9
71.50677	0.8
73.02823	3.7
83.01215	0.9
85.02828	2.0
87.00756	2.9
89.02327	4.7
93.03325	1.2
97.06401	0.6
99.00778	1.0
99.02473	0.9
99.04415	3.0
101.02312	5.8
107.04932	1.0
111.00765	1.0
111.44022	0.6
113.02344	4.1
115.01975	1.0
118.92700	0.7
118.97965	3.8
119.03410	1.1
121.02872	5.7
125.02320	2.8
131.03401	2.2
133.02872	1.0
134.03651	3.5
135.04424	1.8
137.02339	0.8
137.09727	0.6
139.11197	13.4
143.03526	0.6
147.00777	0.9
149.04451	2.6
149.09619	2.4
151.03917	0.9
156.03418	1.1
157.03047	21.7
158.03429	0.7
161.02359	1.6
161.04466	1.4
162.13589	0.6
163.11249	1.5
165.09010	0.7
173.04475	1.2
175.04059	1.8
177.09135	2.8
179.03439	1.4
179.10762	0.7
181.12289	11.5
182.12567	0.9
183.10199	13.4
184.10590	1.0
191.05594	3.8
221.08156	33.0
222.08485	1.8
225.11273	4.2
243.12450	4.5
282.18207	0.6
357.92456	0.7
383.15262	18.8
384.15564	1.4
395.20660	0.9
413.21667	1.1
473.18488	1.0
515.19464	100.0
516.19745	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42990	0.1
52.41116	0.1
54.04833	0.1
57.21059	0.1
59.01249	0.8
61.98702	100.0
62.98399	0.1
69.18739	0.4
69.19168	0.5
71.01254	0.2
73.02814	0.1
83.04905	0.1
85.02851	0.1
87.00775	0.1
89.02334	0.1
93.03365	0.1
100.79517	0.1
103.98859	0.1
109.02841	0.2
111.04462	0.1
116.92760	0.1
121.28016	0.1
123.37114	0.1
128.29201	0.1
135.04491	0.1
139.38573	0.1
161.02371	0.1
173.04567	0.2
179.03558	0.1
191.05547	0.7
192.05838	0.1
251.07269	0.2
253.08704	0.1
323.05640	0.1
415.12976	0.1
453.33719	0.2
454.33820	0.3
486.60547	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54282	0.9
56.08199	0.7
59.01275	0.7
64.19851	0.7
67.73096	0.6
69.03342	0.9
70.37334	0.7
71.01235	0.7
71.20061	1.8
83.04961	0.7
85.02816	10.9
87.00753	2.3
93.03345	5.8
93.95224	0.7
101.92770	0.7
110.11300	0.7
111.04405	1.7
117.03329	1.5
127.03894	2.3
132.02080	1.3
133.02863	8.6
135.04388	5.3
139.41449	0.7
160.01576	3.2
161.02351	50.3
162.02707	2.2
171.02888	0.8
173.04504	2.9
179.03423	5.7
179.34583	0.7
191.05539	100.0
192.05960	3.5
192.13104	0.7
246.67711	0.7
318.63306	0.8
323.07703	42.6
324.08035	3.5
341.08685	1.7
353.08707	2.8
515.14075	21.7
516.14294	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	515.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03309	0.7
58.00465	0.7
59.01251	13.6
65.03826	0.5
67.01759	0.4
69.03338	0.7
69.72984	0.3
71.01252	11.9
71.04905	0.5
71.48585	0.6
72.99178	1.2
73.02814	16.5
81.03324	2.2
83.04900	5.7
84.05212	0.3
85.02822	4.8
86.05983	0.8
86.06842	0.3
87.00726	1.3
87.06360	0.3
89.02320	16.9
90.02656	0.5
93.03335	40.7
94.03664	1.4
95.01270	0.7
96.95901	0.5
99.00754	4.9
99.04398	5.5
101.01711	0.5
101.02329	7.5
105.05587	0.3
109.02813	1.4
111.00778	0.3
111.04407	17.4
112.04722	0.6
113.02336	4.7
119.03378	5.9
127.03933	0.3
129.01805	1.6
129.05492	0.4
130.04977	1.8
131.03395	1.0
131.08150	2.0
135.04410	7.8
137.02341	11.9
138.02654	0.6
143.03413	4.5
149.04453	0.9
155.03406	9.0
155.04689	0.5
161.02377	2.0
161.04472	3.3
161.05727	0.5
172.07210	2.7
173.04465	100.0
173.10335	1.7
174.04826	3.9
179.01862	0.5
179.03430	9.9
179.05522	13.1
180.05878	0.4
191.05544	14.7
192.05812	0.5
197.61496	0.2
221.06612	0.4
284.65359	0.3
315.10870	2.0
323.07672	1.6
341.10901	70.0
342.11249	5.1
353.08792	3.1
403.42065	0.3
485.59836	0.3
515.14160	6.8
516.14581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54840	0.1
55.01756	0.4
57.03315	0.2
58.00456	0.3
59.01249	7.4
60.01589	0.1
63.84145	0.0
69.03316	0.1
69.23956	0.1
69.24372	0.4
71.01251	5.6
72.01586	0.1
72.99174	0.3
73.02816	1.0
78.95784	0.1
81.03334	0.1
82.56605	0.0
83.01253	0.7
83.04905	0.1
85.02824	1.2
87.00742	0.7
89.02313	3.8
91.03894	0.2
95.01253	0.4
97.02835	0.2
97.06467	0.1
99.00745	0.3
99.04395	0.1
101.02320	4.9
102.02646	0.1
103.03864	0.1
113.02326	2.3
113.06034	0.1
114.02623	0.1
115.03909	0.1
119.03390	1.1
125.02338	0.2
125.44482	0.0
127.03897	0.1
127.06633	0.1
127.07525	0.3
131.03392	0.2
133.04970	0.4
143.03413	0.5
145.04909	0.1
149.04428	0.1
152.99553	0.1
157.05025	0.1
161.04463	1.7
177.16519	0.1
179.05530	0.6
182.13158	0.1
205.19397	0.1
233.15715	0.1
233.22760	0.3
235.08170	1.1
253.09251	16.7
254.09608	0.9
259.20578	0.4
275.20004	0.3
277.21704	100.0
278.22046	11.1
367.68900	0.1
461.51773	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17833	0.1
54.06351	0.1
54.43597	0.1
55.01751	0.4
57.03314	0.2
58.00448	0.3
59.01249	6.7
69.03320	0.1
69.23948	0.7
71.01250	5.0
71.52824	0.1
72.99179	0.3
73.02820	1.0
78.95747	0.2
83.01253	0.5
83.04883	0.2
85.02355	0.1
85.02816	1.2
87.00751	0.6
87.31533	0.1
89.02313	3.8
91.03865	0.3
92.72034	0.1
95.01255	0.3
97.02770	0.1
99.00716	0.3
99.04385	0.1
101.02319	5.0
102.02689	0.1
103.03874	0.2
113.02332	2.2
115.03889	0.1
119.03381	1.0
125.02325	0.2
127.07520	0.2
131.03362	0.2
133.04942	0.3
143.03381	0.4
149.04402	0.1
152.99506	0.4
157.04991	0.1
161.04459	1.7
179.05502	0.7
205.19594	0.1
233.22676	0.3
235.08147	1.2
253.09251	16.0
254.09604	1.0
259.20688	0.3
275.20193	0.2
277.21704	100.0
278.22043	11.3
397.31519	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	513.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43114	0.6
57.03325	39.8
58.03647	0.6
59.01251	100.0
60.01581	0.8
61.98708	1.8
63.29101	0.5
68.44723	0.6
69.03340	2.8
69.25374	4.7
69.25792	1.2
71.01253	5.5
72.00791	1.9
73.02812	6.2
81.03344	1.1
82.97482	0.6
83.01275	2.1
85.02836	2.7
87.00792	1.3
89.02333	2.5
93.03321	2.9
95.01318	0.6
98.20562	1.4
99.00792	0.7
99.04397	33.4
100.04741	0.9
101.02330	10.9
111.00813	0.7
111.04472	0.9
112.03958	1.1
113.02335	8.7
118.98022	2.1
119.03447	1.3
123.04431	0.9
125.02336	14.6
128.03468	1.3
131.03418	1.4
133.02879	2.4
134.03644	0.7
135.04449	3.7
137.02309	1.4
143.03458	1.9
144.99567	0.8
149.04498	2.4
151.03926	0.7
154.99823	0.7
155.03444	1.8
161.02370	3.8
161.04546	1.9
173.04512	1.8
179.03432	3.0
181.12305	1.6
190.01727	11.2
191.05530	5.3
197.80179	0.6
203.05621	0.8
203.16718	0.6
208.02827	6.0
225.11343	1.2
310.10852	0.7
355.10284	0.9
381.15674	1.7
426.14386	0.8
495.14502	0.7
496.16418	5.1
513.19031	1.2
513.27338	0.7
514.17920	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	513.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	10.1
58.16931	0.6
59.01250	76.5
60.01576	1.4
61.98705	6.0
65.03819	0.9
67.01749	0.7
69.13685	0.6
70.96410	0.6
71.01251	3.0
72.99181	0.6
73.01043	0.8
73.02816	1.8
74.98970	13.8
75.15950	0.5
76.03851	0.6
76.62489	0.6
83.01260	2.6
83.04897	1.8
85.02824	2.1
87.00737	3.5
89.02318	2.3
90.98475	6.9
93.03326	2.5
96.95866	1.9
97.02834	0.8
99.04372	2.1
101.02331	2.2
107.04900	0.8
109.02824	1.6
111.00760	23.0
111.04430	0.7
112.01054	0.7
113.02336	1.3
117.00018	1.1
118.97971	100.0
119.98289	1.6
125.02323	1.1
129.01810	1.1
131.03436	0.6
133.02858	0.8
134.03587	0.8
135.04436	2.0
137.02364	1.3
149.04460	5.2
149.09596	1.1
161.02342	1.0
161.04462	0.8
161.13280	2.9
173.04482	3.1
176.03940	0.7
179.03433	2.0
191.05559	6.5
205.12296	2.6
206.99608	0.6
209.11769	1.4
223.07919	0.7
233.11856	1.5
245.11830	1.7
249.11440	1.4
263.12698	0.7
297.77747	0.7
307.22827	4.3
311.13266	3.5
339.05060	0.7
345.17023	0.7
351.21698	2.9
381.15512	2.1
425.12729	64.6
426.13004	8.1
495.13345	2.0
513.19244	1.7
513.27185	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	513.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57707	0.9
57.03328	9.1
59.01254	51.4
61.98702	8.5
64.55950	0.9
67.01756	2.2
68.64169	0.9
68.64523	1.3
69.61202	2.4
69.61612	3.6
71.01250	6.5
73.02811	3.4
74.98972	47.8
75.00752	1.1
75.98936	1.0
81.03304	1.8
83.01245	2.9
83.04888	2.2
84.36433	1.0
85.02827	4.9
87.00748	5.8
88.98662	1.1
89.00532	1.9
89.02319	3.0
90.98473	8.4
93.03344	6.4
96.95926	1.1
97.02858	1.0
98.20667	0.9
99.04395	2.3
101.02321	4.2
102.98499	1.6
109.02840	1.7
111.00761	21.3
111.04416	1.2
113.02273	1.3
118.97975	100.0
121.06450	1.6
125.02323	2.0
129.01781	1.3
135.04398	2.6
137.02324	1.7
149.02454	0.9
149.04471	6.6
157.03075	2.0
159.82147	1.0
161.02344	1.6
161.04411	1.1
161.13284	1.9
173.04437	4.9
179.03470	1.1
179.10698	2.8
191.05547	18.2
201.11220	2.0
205.12277	3.6
209.11732	2.0
212.89760	1.0
249.11391	1.7
272.09604	1.6
283.13354	4.3
297.11682	3.1
309.14990	2.1
311.13126	3.0
327.15961	1.7
339.05084	1.4
361.92252	1.1
381.15488	2.9
425.12766	62.0
426.13083	7.1
484.27505	1.1
491.20078	4.0
495.13138	1.1
504.20917	3.5
504.71420	2.2
513.18176	4.9
513.26715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.8
58.99479	11.5
59.01252	99.2
61.88480	2.9
61.98706	37.2
71.01265	16.9
71.50665	4.0
71.51112	3.4
72.99187	2.9
73.02837	6.8
78.95781	3.2
83.01247	4.3
83.04913	6.1
85.02816	7.7
87.00774	5.3
87.04396	5.5
92.15733	3.4
93.03364	6.1
101.02320	11.2
102.98478	100.0
103.98865	3.0
113.02345	10.1
114.78657	3.5
120.53722	3.0
120.99537	12.8
122.93336	3.2
125.02316	7.6
133.02820	5.3
135.04424	6.8
161.02325	4.0
161.04404	3.2
163.00618	9.4
173.04474	7.7
191.05551	27.9
249.14810	4.0
267.16034	13.3
513.10785	4.4
513.18512	5.2
513.27142	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	512.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05965	0.2
55.93240	0.2
59.01252	0.9
60.86750	0.1
61.98705	100.0
62.98392	0.2
65.93774	0.2
70.33538	0.7
71.01263	0.5
73.02809	0.2
74.79478	0.2
85.02855	0.3
87.24993	0.1
88.57725	0.2
89.02331	0.3
91.39697	0.1
93.03365	0.2
97.16980	0.2
101.02326	0.3
107.34814	0.1
115.03902	0.4
116.92776	0.2
118.00539	0.1
128.03458	0.3
133.02898	0.2
149.04488	0.3
161.02333	0.3
173.04572	0.2
191.05486	1.0
203.16583	0.2
219.87445	0.2
275.09161	0.2
350.16275	0.3
431.23840	0.2
434.40741	0.2
449.23975	0.5
452.57782	0.2
499.20508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
59.01249	2.2
61.98692	1.3
71.01263	1.0
71.50588	0.8
78.95784	1.3
80.02533	1.0
81.03317	1.5
83.04897	6.2
84.02026	1.1
87.00761	0.4
93.03328	1.8
95.04906	1.4
97.06457	1.1
109.06457	1.4
111.04372	0.6
123.00783	0.8
123.08055	1.0
125.05984	0.6
125.09587	2.6
127.11162	0.7
134.03644	0.4
135.08052	1.3
138.03133	1.0
149.09615	1.5
152.99481	1.7
153.05466	0.9
163.11186	5.2
165.12781	2.5
171.10175	32.6
172.10490	1.8
175.11234	0.5
181.12271	0.9
185.11766	2.1
191.05515	1.7
191.10724	1.5
203.14267	0.9
207.10269	1.0
209.11766	100.0
210.12108	7.6
217.12128	0.5
217.32845	0.4
221.11792	1.6
223.13275	1.9
227.12827	9.9
228.13280	0.4
229.12376	0.8
231.13966	0.5
247.13370	10.1
248.13718	1.1
249.14993	0.8
259.81445	0.4
265.14508	2.9
321.17105	0.7
329.14401	0.5
339.18491	0.5
357.13376	1.8
357.20648	0.7
361.53076	0.4
373.23743	0.5
375.21664	1.7
375.25540	1.4
401.23285	1.7
419.24249	1.5
431.24203	1.1
437.25186	0.7
449.25412	3.6
457.25839	0.7
475.27106	4.1
476.27203	0.7
493.27747	2.4
493.34332	0.5
500.65622	0.5
511.16479	0.8
511.29056	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	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01250	3.0
61.98697	1.0
71.01253	1.0
71.04917	0.4
71.50508	0.7
78.95757	0.6
80.02540	1.4
80.65658	0.4
81.03336	2.0
83.04888	7.1
84.02034	1.1
85.02811	0.5
93.03336	1.6
95.01240	0.5
95.04859	0.9
97.02840	0.6
97.06434	0.8
105.87023	0.4
109.06476	1.2
111.04403	0.8
123.00777	5.6
123.08041	0.7
125.05909	0.5
125.09570	2.5
127.11118	0.6
133.02826	0.6
134.03566	0.4
135.04457	0.7
135.08037	1.5
138.03125	6.5
139.03841	0.6
149.09625	1.2
153.05489	4.2
163.11189	5.4
165.12769	2.6
171.10184	31.8
172.10532	2.0
173.04478	0.5
181.12238	0.7
185.11790	2.0
189.01773	0.4
191.05530	1.4
191.10744	0.9
199.13307	0.7
201.05513	0.5
203.14378	0.4
205.12299	0.5
207.10217	0.6
209.11778	100.0
210.12102	7.5
211.11287	0.4
211.13377	0.6
213.09134	0.4
215.07092	0.6
219.13765	0.7
221.11801	1.5
223.07600	0.4
223.13330	1.4
227.12849	11.0
228.13153	0.8
229.08673	0.4
229.12260	0.9
231.13747	0.5
237.14891	0.6
247.13350	9.2
248.13789	0.9
249.14952	0.6
255.10210	0.8
265.14459	2.8
270.12524	1.1
283.09702	1.0
285.14999	1.8
298.12082	1.1
313.14490	1.7
321.17245	0.4
339.18512	0.6
357.13367	9.7
357.20300	0.7
358.13803	1.8
375.21625	1.4
375.25708	1.0
380.15936	0.7
383.22421	0.6
393.22327	0.6
393.26791	0.7
401.23373	1.3
419.24310	1.4
421.89301	0.4
431.24445	0.9
437.15994	0.6
437.25537	0.7
449.25308	3.1
450.25574	0.6
452.18439	0.8
457.25937	0.8
467.20969	2.5
467.26608	0.6
467.33597	1.0
468.20990	0.6
475.26993	3.4
476.27316	0.7
493.28201	2.4
499.20395	0.5
511.19485	1.1
511.29166	3.4
512.29529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	17.7
96.96838	1.7
98.20587	1.0
108.77258	0.4
152.99490	30.8
160.26172	0.4
171.00565	2.0
227.03221	4.8
229.31326	0.5
236.77893	0.4
245.04256	3.6
281.24844	100.0
282.25208	9.8
320.33948	0.4
361.90033	0.5
417.23804	0.8
486.08698	0.4
509.28818	49.8
510.29141	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	511.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03625	0.6
57.03305	1.4
58.00465	1.6
59.01249	39.5
61.98697	3.1
69.21363	6.2
71.01256	23.2
71.60445	0.7
72.99167	2.3
73.02815	1.7
75.00737	1.0
83.01236	1.7
83.04884	6.0
85.02823	5.4
87.00742	0.8
89.02316	22.7
95.01269	1.8
99.00747	1.5
101.02318	15.1
109.06495	0.8
113.02324	8.4
117.01846	1.1
118.11006	0.7
119.03396	7.6
122.03612	0.8
131.03381	1.5
137.09627	12.3
140.43263	0.7
141.09088	0.7
149.02374	0.8
149.04439	2.6
150.03131	3.9
152.31615	0.7
155.10683	42.9
156.11067	1.8
157.08658	0.7
165.05498	4.9
174.03004	0.7
179.05556	2.1
181.08627	4.0
191.05505	0.9
195.06538	3.2
199.09683	63.1
200.10049	4.4
208.86055	0.7
209.04271	0.7
210.84669	0.7
217.10794	8.1
220.41902	0.8
370.26321	0.8
379.16061	100.0
380.16437	9.5
465.23471	1.6
511.20270	71.9
512.20758	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	509.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.50894	17.6
61.98708	32.8
71.50161	30.0
76.54857	16.8
77.05221	17.7
97.10616	18.5
138.23123	18.2
209.11768	64.6
225.11368	25.2
291.02023	20.7
373.37677	21.4
430.09808	22.4
432.87372	20.6
449.87885	18.8
509.27390	80.7
528.06329	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32798	1.4
57.03310	2.4
59.01251	22.9
61.69283	1.7
61.98686	3.5
62.08578	1.5
65.03842	2.0
70.16822	5.5
70.17180	2.4
71.01264	3.5
78.95772	4.5
81.03316	3.7
83.04895	9.6
84.02026	2.8
85.07123	1.6
93.03337	3.6
95.04874	2.2
97.02823	3.4
97.06445	1.8
101.02299	1.9
102.23939	1.7
109.06476	18.8
111.04401	8.6
121.06468	2.0
123.04370	2.2
123.08045	2.8
125.09603	7.1
130.86653	1.7
135.08061	4.4
135.87997	1.7
142.02652	2.2
152.99506	2.0
154.60553	1.6
161.09627	1.9
163.11194	17.6
165.12744	4.0
171.10172	23.8
181.12294	2.4
182.12306	1.6
185.11736	8.6
191.10733	3.3
195.13693	2.0
201.11232	4.2
203.14336	1.8
207.10201	35.4
208.10535	4.7
209.11757	100.0
210.12111	6.3
217.12181	2.3
219.13986	1.6
223.13295	3.9
225.11259	24.4
226.11629	2.4
227.12811	11.3
235.13304	2.6
237.11253	3.8
245.11787	2.6
247.13329	2.5
249.11276	3.7
263.12906	4.6
279.00528	1.7
280.59930	1.9
281.13940	6.2
293.13983	1.8
295.22784	12.9
296.23035	2.2
299.14996	5.8
305.13766	2.4
319.15408	3.0
337.16690	3.2
373.23895	3.2
399.21689	4.0
417.22800	3.0
447.23715	2.0
465.25021	7.4
466.24802	2.3
472.81631	1.7
473.25378	15.6
474.25464	3.7
491.26260	16.9
492.26981	3.5
504.35327	1.8
509.15100	1.8
509.27512	40.7
510.27777	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	509.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42143	0.9
57.03318	1.4
59.01253	8.1
61.98703	1.8
69.03337	1.0
71.01247	3.3
71.49899	1.4
73.02822	1.1
78.95757	2.0
80.02543	2.8
81.03333	6.0
83.04893	9.9
84.02060	2.0
88.78693	0.8
93.03291	2.0
95.01213	1.3
95.04900	2.1
97.02830	4.0
97.06467	1.9
98.52599	0.9
100.76634	0.8
103.51774	0.9
107.04935	1.2
109.02821	1.4
109.06474	16.0
110.03605	2.0
111.04401	7.3
121.06503	2.1
123.04434	1.0
123.08042	2.6
125.09607	6.8
127.11221	1.4
135.08060	4.2
140.01108	0.9
142.02611	1.0
149.02771	0.9
161.09624	2.9
163.11212	17.8
165.12743	3.5
171.10199	22.2
175.11157	2.2
175.89311	0.8
177.12787	1.2
179.10663	0.9
181.12260	2.9
183.57065	0.9
185.11800	8.4
191.10756	2.1
201.11186	4.9
207.10208	39.1
208.10591	2.8
209.11778	100.0
210.12090	6.6
217.12260	1.4
219.10246	2.1
221.11790	1.6
223.13342	2.5
224.13576	1.1
225.11295	22.8
227.10762	1.7
227.12836	12.5
231.10175	3.4
233.11629	1.1
235.13402	3.9
237.11232	1.7
245.11826	2.4
247.13347	2.2
249.11327	3.9
251.12926	2.2
263.12946	6.6
281.13943	4.3
293.13843	1.1
294.21524	1.5
299.15012	7.9
305.14114	1.1
319.15613	2.6
323.15015	1.3
325.16434	1.2
337.16473	3.1
355.17670	1.7
355.22870	1.2
373.23880	2.5
399.21860	4.0
417.22754	2.5
447.23340	1.8
465.25021	4.7
473.25406	14.1
474.25934	2.1
491.26425	15.8
491.32855	1.2
492.27042	3.4
509.27588	39.0
510.28125	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	507.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03322	1.8
58.00469	0.7
59.01250	16.3
60.01600	0.2
61.98719	0.3
65.26710	0.2
66.25871	0.2
69.03339	0.5
69.18623	0.5
69.19042	1.6
71.01254	6.5
71.04912	0.2
72.99200	0.7
72.99777	0.2
73.02819	1.6
82.53891	0.2
83.01267	0.2
83.04907	0.2
85.02846	0.7
87.00771	0.7
87.04398	0.8
89.01765	0.4
89.02318	7.4
93.03376	0.4
95.01283	0.3
97.06478	0.6
98.20628	0.4
99.00710	0.2
99.08087	0.2
101.02322	5.9
109.06477	0.4
111.04368	0.2
111.07999	0.2
113.02320	1.6
113.09615	0.4
115.91945	0.2
117.49947	0.2
119.03391	5.8
123.04411	0.2
123.08059	1.5
125.09607	0.4
130.04112	0.3
131.03415	0.7
133.02855	0.2
133.06516	0.2
133.71606	0.2
134.03595	0.4
135.04413	1.1
135.08075	0.5
139.11153	0.9
141.09132	0.4
141.12775	0.7
143.03387	0.5
145.02864	0.2
145.06490	0.4
149.02301	0.2
149.04459	1.3
151.03931	1.2
153.09108	0.7
155.10701	0.2
157.12242	1.8
158.03639	0.9
158.07219	0.5
159.04408	0.7
159.08080	0.7
160.05159	0.3
161.02347	0.2
161.04463	0.5
163.03944	0.7
169.12248	1.5
171.13799	0.2
172.05220	2.3
173.04543	0.3
173.05980	2.0
173.09628	1.1
174.03134	0.6
174.06721	0.5
175.07570	0.8
178.06271	0.8
179.05510	1.6
183.04324	0.2
185.06033	0.6
185.11746	2.7
186.06857	1.4
186.12161	0.2
187.03923	2.6
187.07552	3.0
187.13263	0.3
188.04298	0.2
188.07944	0.4
191.05577	0.5
193.08623	0.7
199.03947	0.2
200.04695	2.0
200.08307	0.4
201.05515	6.7
201.09145	3.5
201.11038	0.3
202.06281	5.8
202.09328	0.3
203.07043	2.1
204.07549	0.2
211.07640	0.3
214.06345	0.6
215.07100	0.6
215.12865	1.6
228.07886	0.7
229.08649	16.1
230.09415	15.2
231.09796	1.5
246.08914	0.5
247.09608	1.2
251.20068	0.3
255.13794	0.3
273.37735	0.2
285.20670	0.2
293.21243	0.3
295.69601	0.2
299.16599	0.5
309.14825	0.2
311.22278	0.7
327.16019	0.8
327.21680	0.3
327.25299	0.6
329.23331	2.7
330.23560	0.3
339.25433	0.5
341.23462	0.2
355.25037	0.4
357.26404	2.8
358.26782	0.4
373.25937	2.8
374.26352	0.6
375.27499	100.0
376.27832	10.5
409.15030	3.9
410.15741	2.1
411.16019	0.3
479.22784	0.5
489.21579	0.2
507.22571	2.2
507.31714	16.7
508.23584	0.4
508.31976	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.27801	1.0
64.68784	1.0
71.01256	2.3
71.49731	1.9
71.50108	1.0
78.95766	7.1
79.86042	0.9
87.88083	0.9
89.02336	1.7
96.51287	1.1
97.41502	1.0
98.45711	1.0
101.02261	1.4
114.31277	0.9
119.03406	1.3
152.99489	8.2
172.05115	1.0
201.05515	2.5
201.09137	1.5
227.03258	2.0
229.08714	3.2
230.09392	4.4
245.04279	1.3
279.23282	73.2
280.23605	9.3
400.15408	1.0
433.39969	1.1
507.27435	16.1
508.27466	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75576	0.3
57.03320	2.9
58.00462	0.7
59.01250	24.5
60.01595	0.3
61.98708	0.9
67.97787	0.3
69.03321	1.0
69.29405	3.2
71.01251	10.0
71.04870	0.7
72.99166	1.0
73.02818	2.7
75.00739	0.5
83.01290	0.4
83.04884	0.3
85.02818	1.5
86.59904	0.3
87.00732	0.7
88.98698	0.4
89.02317	9.6
94.82135	0.4
95.01264	0.5
97.02827	4.5
97.06464	0.5
101.02319	7.3
109.06458	0.3
113.02338	2.6
115.91930	0.4
119.03384	5.7
123.08060	1.7
125.09601	0.5
127.11163	0.9
131.03366	0.9
135.04366	0.5
137.09642	0.6
139.11148	0.9
143.03424	0.5
149.04469	4.8
155.10686	1.3
158.03629	0.5
158.07278	0.5
159.04404	0.4
161.02425	0.5
161.04424	0.8
163.04034	0.4
169.12256	7.0
171.10164	3.7
172.05193	1.6
173.04556	0.4
173.05957	1.7
173.09587	0.4
174.03168	0.6
174.06731	0.6
175.07564	0.5
179.05539	0.9
185.05930	0.6
185.11752	1.4
186.06816	0.8
187.03958	2.1
187.07571	2.6
188.07898	0.5
191.05495	1.1
200.04810	1.8
200.08269	0.4
201.05515	5.9
201.09155	3.6
202.06314	4.7
203.07060	1.7
211.07629	0.4
214.06360	0.4
226.06271	0.5
227.10683	1.2
229.06448	0.7
229.08656	11.2
229.12106	0.6
230.09415	12.0
231.09891	1.2
243.12332	0.5
246.08925	0.5
247.09740	0.4
255.10286	1.9
267.23117	0.8
274.71664	0.5
283.13440	1.1
298.11996	1.2
327.16034	4.6
328.16406	0.5
329.23343	2.0
333.19623	0.3
334.41953	0.4
355.24930	0.8
357.26419	7.0
358.26569	0.7
373.25949	0.9
375.27493	100.0
376.27835	12.1
407.17059	0.6
409.15051	2.8
410.15811	1.2
435.16418	0.6
447.26001	1.2
463.19775	0.6
465.27118	1.6
478.18448	0.5
479.22546	0.4
489.21634	1.8
507.22263	16.2
507.31540	14.6
508.22638	3.2
508.32275	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	507.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03322	1.8
58.00469	0.7
59.01250	16.3
60.01600	0.2
61.98719	0.3
65.26710	0.2
66.25871	0.2
69.03339	0.5
69.18623	0.5
69.19042	1.6
71.01254	6.5
71.04912	0.2
72.99200	0.7
72.99777	0.2
73.02819	1.6
82.53891	0.2
83.01267	0.2
83.04907	0.2
85.02846	0.7
87.00771	0.7
87.04398	0.8
89.01765	0.4
89.02318	7.4
93.03376	0.4
95.01283	0.3
97.06478	0.6
98.20628	0.4
99.00710	0.2
99.08087	0.2
101.02322	5.9
109.06477	0.4
111.04368	0.2
111.07999	0.2
113.02320	1.6
113.09615	0.4
115.91945	0.2
117.49947	0.2
119.03391	5.8
123.04411	0.2
123.08059	1.5
125.09607	0.4
130.04112	0.3
131.03415	0.7
133.02855	0.2
133.06516	0.2
133.71606	0.2
134.03595	0.4
135.04413	1.1
135.08075	0.5
139.11153	0.9
141.09132	0.4
141.12775	0.7
143.03387	0.5
145.02864	0.2
145.06490	0.4
149.02301	0.2
149.04459	1.3
151.03931	1.2
153.09108	0.7
155.10701	0.2
157.12242	1.8
158.03639	0.9
158.07219	0.5
159.04408	0.7
159.08080	0.7
160.05159	0.3
161.02347	0.2
161.04463	0.5
163.03944	0.7
169.12248	1.5
171.13799	0.2
172.05220	2.3
173.04543	0.3
173.05980	2.0
173.09628	1.1
174.03134	0.6
174.06721	0.5
175.07570	0.8
178.06271	0.8
179.05510	1.6
183.04324	0.2
185.06033	0.6
185.11746	2.7
186.06857	1.4
186.12161	0.2
187.03923	2.6
187.07552	3.0
187.13263	0.3
188.04298	0.2
188.07944	0.4
191.05577	0.5
193.08623	0.7
199.03947	0.2
200.04695	2.0
200.08307	0.4
201.05515	6.7
201.09145	3.5
201.11038	0.3
202.06281	5.8
202.09328	0.3
203.07043	2.1
204.07549	0.2
211.07640	0.3
214.06345	0.6
215.07100	0.6
215.12865	1.6
228.07886	0.7
229.08649	16.1
230.09415	15.2
231.09796	1.5
246.08914	0.5
247.09608	1.2
251.20068	0.3
255.13794	0.3
273.37735	0.2
285.20670	0.2
293.21243	0.3
295.69601	0.2
299.16599	0.5
309.14825	0.2
311.22278	0.7
327.16019	0.8
327.21680	0.3
327.25299	0.6
329.23331	2.7
330.23560	0.3
339.25433	0.5
341.23462	0.2
355.25037	0.4
357.26404	2.8
358.26782	0.4
373.25937	2.8
374.26352	0.6
375.27499	100.0
376.27832	10.5
409.15030	3.9
410.15741	2.1
411.16019	0.3
479.22784	0.5
489.21579	0.2
507.22571	2.2
507.31714	16.7
508.23584	0.4
508.31976	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01252	0.8
59.01235	3.8
61.98705	4.2
62.29445	0.9
63.21910	0.8
69.73810	0.8
71.01287	0.9
71.49349	1.1
74.03365	0.8
78.95777	24.4
89.02296	1.1
96.96836	1.7
119.03294	1.0
119.81516	0.9
150.97920	0.9
152.35309	1.0
152.99507	31.3
171.00565	1.6
196.89439	3.2
227.03201	4.8
229.08701	2.0
230.09447	1.4
230.24176	0.9
231.48035	1.2
245.04243	2.0
279.23300	100.0
280.23639	9.4
491.80664	1.0
499.73068	1.0
507.27280	54.4
508.27533	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	507.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.7
58.00456	0.7
59.01250	28.8
59.88935	0.4
61.98694	0.9
67.99372	0.4
69.03317	1.3
71.01252	10.6
71.04879	0.7
72.45959	0.4
72.78723	0.3
72.99174	0.9
73.02821	2.7
83.01264	0.9
85.02817	1.6
87.00728	0.9
87.42410	0.4
89.02312	10.0
92.49126	0.4
93.03344	0.6
95.01271	0.6
97.02821	4.5
97.06463	1.0
98.20571	1.1
101.02321	9.0
111.07980	0.8
113.02333	2.6
113.09609	0.4
119.03393	6.2
121.02843	0.4
123.08030	0.9
125.09595	1.0
127.11157	1.0
131.03386	0.7
135.04370	0.4
139.11171	1.1
141.09137	0.5
143.10728	0.5
149.04462	4.8
151.11234	0.4
155.10661	1.7
158.03624	1.0
159.04401	0.7
161.02385	0.6
161.04405	0.9
169.12254	6.5
171.10164	4.7
172.05197	1.3
173.04538	0.6
173.05971	1.9
173.09612	0.8
174.03168	1.0
174.06804	0.6
175.07462	0.7
179.03424	0.4
179.05536	0.8
185.06004	0.5
185.11778	1.5
186.06857	0.8
187.03949	2.3
187.07579	2.6
187.13283	0.6
191.05556	1.4
191.73010	0.4
198.06903	0.5
200.04727	2.3
200.08389	0.5
201.05518	4.9
201.07178	0.7
201.09122	2.9
201.10780	0.5
202.06291	4.8
203.07025	1.4
211.07553	0.4
215.07118	0.7
225.05505	0.5
226.10022	0.4
227.07014	0.5
227.10745	1.4
228.07887	0.8
229.08644	13.3
230.09402	12.1
231.09856	1.4
241.08572	0.5
243.12265	0.6
246.09061	0.5
247.09642	1.2
254.09381	0.5
255.10252	2.4
267.23227	0.7
283.13342	0.8
298.12073	1.1
309.14850	0.5
311.22440	0.5
327.16003	4.8
328.16422	0.7
329.23221	1.4
355.25064	1.1
357.26379	7.8
358.26941	1.1
373.25787	0.7
375.27502	100.0
376.27835	11.8
409.14941	3.1
410.15823	1.5
435.16663	0.5
447.25885	1.2
463.19699	1.0
465.26675	1.8
478.18723	0.5
479.23138	0.7
489.21405	1.8
507.22272	18.7
507.31534	14.5
508.22913	2.8
508.32355	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39141	0.8
58.00471	2.1
59.01255	100.0
60.01591	2.1
70.97369	1.6
71.01254	32.7
72.99191	1.6
73.02860	1.0
83.01262	1.2
83.04911	1.5
85.02854	3.5
87.00788	1.4
89.02322	43.4
95.01286	2.3
98.99899	0.8
101.02333	13.8
113.02349	12.0
119.03396	15.4
131.03430	2.3
143.03369	4.4
149.04501	2.1
161.04477	4.1
179.05545	19.6
333.20520	0.9
392.98032	0.8
432.09207	0.8
507.24564	0.9
517.50140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	17.9
59.01249	100.0
61.98684	3.8
69.86079	16.8
71.01250	54.4
72.99187	3.5
73.02822	7.1
75.00747	5.8
78.21118	2.7
83.01308	3.2
85.02840	8.1
87.00758	6.0
89.02318	71.6
95.01300	3.3
98.20536	4.2
101.02309	29.0
113.02314	20.5
119.03391	26.9
119.08535	4.2
128.60963	3.2
133.10118	4.0
135.08072	4.6
137.09579	4.3
143.03387	6.9
149.04395	4.1
157.10146	4.4
161.04448	9.2
175.11253	13.7
179.05508	39.7
181.88612	2.9
191.05577	9.8
196.07428	3.2
214.07593	3.6
264.46365	2.7
267.15976	44.6
285.17142	6.4
447.22470	21.0
447.27927	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
58.00463	1.7
59.01250	100.0
60.01575	1.0
61.98706	1.6
70.77757	1.1
70.78102	0.5
71.01252	33.3
72.99181	2.0
73.02831	1.2
75.00754	0.6
77.65015	0.4
78.99848	0.5
83.04903	1.3
85.02821	3.3
87.00766	1.9
89.02316	49.2
90.02663	1.3
95.01269	1.5
101.02322	16.8
101.28375	0.5
107.03391	0.5
113.02326	14.6
119.03387	19.3
120.03748	0.8
125.02356	0.8
125.18127	0.5
131.03389	2.7
143.03392	5.1
149.04437	3.0
151.03935	0.7
158.35623	0.4
161.04451	6.6
179.05528	21.5
180.05869	0.7
285.17041	0.5
353.30899	0.5
412.61673	0.5
447.22549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91439	0.8
55.01748	1.3
57.03322	1.1
58.00469	2.7
59.01254	66.2
71.01254	30.1
71.08575	1.9
72.99171	2.2
80.29035	0.8
83.01276	1.4
85.02831	3.5
87.00742	2.0
89.01762	1.8
89.02318	29.6
101.02328	25.5
113.02339	6.8
116.48264	1.0
119.03391	22.6
120.03716	0.9
130.04150	1.4
143.03378	2.1
145.06461	2.7
146.03667	1.8
149.04448	0.9
155.04956	1.1
158.03653	6.2
158.07277	2.5
159.04454	3.8
159.06090	0.9
159.08008	4.8
161.04462	2.4
171.04359	1.8
172.05223	11.1
173.05995	13.1
173.09619	7.2
174.03168	3.5
174.06757	4.9
175.07591	2.9
179.05540	6.0
183.04411	0.9
185.06021	3.5
186.06775	7.5
187.03958	12.6
187.07576	24.0
188.08028	1.6
200.04732	12.8
200.08391	1.7
201.05519	46.2
201.09151	19.8
202.06282	31.1
202.09587	1.3
203.07010	10.0
211.07642	1.7
212.06187	1.0
214.06316	3.4
215.07068	4.0
228.07983	3.2
229.08662	86.7
230.09435	100.0
231.09883	9.1
246.09009	1.1
247.09683	6.2
249.11415	1.2
322.30548	0.9
327.15982	1.6
353.46896	0.9
359.28009	3.0
374.17908	0.9
409.15121	17.1
410.15762	12.9
411.16403	1.2
458.06860	1.0
507.22614	2.6
507.35751	7.3
509.59952	0.9
527.11072	0.9
529.71594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.8
58.00474	1.5
59.01251	100.0
60.01578	1.4
61.98711	1.6
64.83862	0.4
69.91268	1.2
69.91680	1.1
71.01254	31.8
72.99181	2.2
73.02818	2.2
75.00745	1.4
80.32469	0.5
83.01259	1.1
83.04910	1.4
85.02828	4.7
85.52814	0.5
87.00771	1.9
89.02317	45.1
90.02673	0.7
95.01284	1.8
96.95927	0.6
101.02323	16.6
104.29080	0.5
113.02334	14.8
115.03981	0.5
119.03394	17.9
131.03415	2.5
143.03386	5.5
149.04437	2.6
161.04465	5.2
167.10814	0.6
169.01346	0.9
179.03937	1.0
179.05527	18.9
180.05998	0.6
191.05571	1.5
193.05035	0.8
199.06175	0.7
387.20346	0.6
447.22470	1.6
479.49713	0.5
489.24448	0.7
507.24948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.9
59.01254	50.4
59.38231	0.8
60.01554	0.8
64.94863	0.7
66.60483	0.8
70.12722	3.4
71.01261	22.4
72.99166	2.3
77.40873	0.8
83.01244	1.1
85.02804	2.4
87.00768	1.4
89.02320	26.6
98.20541	1.1
101.02331	22.2
108.49210	0.9
113.02354	7.2
119.03394	24.0
130.04156	0.9
140.43648	0.9
143.03419	2.3
144.05746	0.8
145.06516	1.9
146.03603	1.2
157.06479	1.3
158.03618	3.7
158.07304	1.8
159.04398	3.7
159.08061	2.1
161.04477	1.8
172.05161	7.9
173.06003	10.4
173.09602	4.8
174.03197	4.3
174.06790	3.4
175.07529	1.4
179.05562	6.6
185.05933	2.3
186.03156	1.3
186.06813	6.0
187.03964	9.6
187.07578	17.3
200.04718	10.0
200.08412	1.2
201.05511	35.8
201.09163	19.3
202.06287	25.3
202.09225	1.6
203.07037	8.6
211.07587	1.6
214.06323	1.7
215.07022	3.3
228.07907	2.6
229.08669	84.1
230.09438	100.0
231.09862	10.9
246.08803	1.3
247.09749	6.9
248.10110	1.2
327.16101	2.4
409.15042	18.0
410.15814	13.1
411.16461	2.8
438.33939	0.9
470.72839	0.9
507.22504	2.6
517.80359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26697	1.0
58.00459	3.5
59.01253	100.0
69.29726	10.9
71.01257	93.1
71.01678	1.6
72.99177	3.9
73.02780	1.9
82.72769	1.1
83.01260	3.0
85.02845	3.5
87.00755	1.7
89.02322	44.3
101.02325	39.2
113.02327	7.3
119.03397	27.5
132.48289	1.1
143.03380	2.2
149.04468	2.1
158.03609	3.0
158.56073	1.0
159.04391	1.2
161.04498	1.8
172.05223	7.0
173.06035	8.4
173.09737	1.3
174.03134	2.0
174.06773	2.4
175.07527	1.6
179.05502	3.2
185.05986	2.0
186.06763	4.1
187.03975	7.8
187.07596	11.9
199.07547	1.4
200.04753	7.2
200.08394	2.0
201.05519	21.9
201.09171	14.8
202.06288	18.2
203.07057	5.6
207.77440	1.0
211.07559	2.4
214.06232	3.5
215.07063	3.5
221.11852	1.3
226.09856	5.1
227.07066	3.9
227.10744	2.6
228.07747	2.4
229.08664	51.2
230.09419	43.5
231.09853	4.7
242.09538	1.3
246.08742	1.2
247.09734	3.2
255.13925	11.5
256.14459	1.1
270.12726	4.1
283.13232	1.3
299.16544	19.6
300.16830	3.2
309.14978	2.9
310.84982	1.1
317.17520	1.1
327.15958	7.8
329.17627	5.2
409.15057	11.9
410.15414	5.8
411.16415	1.4
429.05872	1.1
431.57242	1.1
435.20374	19.4
436.20471	2.6
441.78925	1.1
463.19318	1.7
466.39206	1.1
479.22928	31.7
480.23160	5.1
489.21347	9.4
490.21686	1.6
507.22336	61.6
508.22623	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	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08806	0.8
55.72831	0.8
58.00466	2.0
59.01249	54.3
61.27136	1.0
61.27473	0.9
71.01254	22.9
72.36801	0.9
72.99185	2.2
79.92850	0.8
83.01231	1.2
85.02798	2.0
87.00727	2.0
89.02314	27.6
95.01255	0.9
101.02322	19.5
113.02332	6.5
119.02589	1.7
119.03388	21.8
130.04156	1.5
131.03387	1.1
137.39738	0.8
143.03322	1.1
145.02789	1.9
145.06445	2.0
146.03580	1.1
149.04463	1.3
149.68932	0.9
151.93869	0.9
158.03670	5.9
158.07233	1.7
159.04453	4.5
159.08067	2.8
160.05130	1.1
161.04463	2.0
165.20973	0.9
172.05197	7.6
173.04810	1.0
173.06038	9.2
173.09648	5.0
174.03154	2.8
174.06693	5.0
175.07507	2.4
179.05559	5.4
185.06007	2.2
186.06769	4.6
187.03946	10.1
187.07561	20.1
188.07909	1.6
200.04718	9.5
201.05507	39.4
201.09125	16.2
202.06258	21.9
203.07022	6.9
211.07579	0.9
214.06311	2.6
214.27383	0.8
215.07048	3.8
228.07813	2.3
229.08653	69.1
230.09433	100.0
231.09810	7.4
232.10692	1.0
246.08807	2.0
247.09747	6.1
249.11217	1.0
283.46387	0.9
312.47101	0.8
327.15848	1.7
409.14957	14.5
410.15738	13.1
411.16199	2.4
507.22388	1.9
507.35287	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	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03291	0.9
57.20969	0.9
58.00474	4.4
59.01249	100.0
60.01582	1.4
63.13333	0.9
69.50871	4.4
69.51297	2.8
71.01252	88.2
72.01578	1.7
72.99166	3.1
73.02846	1.5
82.48431	0.9
83.01262	3.1
85.02805	3.9
87.00748	2.6
89.02317	38.0
90.02628	0.8
95.01225	1.0
99.00759	1.9
101.02322	35.8
102.02660	0.9
113.02341	5.5
119.03387	21.2
143.03455	1.1
149.04466	1.6
158.03662	2.2
159.04402	1.7
159.07991	1.8
164.24573	0.8
172.05203	4.6
173.06056	5.1
173.09607	2.2
174.03136	1.7
174.06720	1.6
175.07584	1.5
179.05530	2.0
185.06033	2.4
186.06743	2.6
187.03902	5.0
187.07568	8.4
191.05525	1.4
200.04741	5.4
200.08423	1.4
201.05499	18.6
201.09149	9.9
202.06279	14.1
202.09743	0.9
203.07021	3.3
211.07605	2.2
212.75243	0.9
213.05591	1.2
213.09158	1.5
214.06340	1.2
215.07130	2.0
226.10001	5.8
227.07051	3.8
227.10706	2.0
228.07860	1.7
229.08646	30.3
229.12047	1.2
230.09407	28.1
231.09834	2.7
241.12245	1.3
242.09610	1.6
247.09714	2.4
255.06494	2.0
255.10358	1.1
255.11218	1.3
255.13878	13.4
256.14246	1.3
270.12564	5.9
280.10843	1.6
283.13556	1.2
283.16864	0.9
285.20865	1.1
298.12051	2.0
299.16510	17.9
300.16852	2.0
309.14935	5.7
317.17639	1.1
327.15912	8.2
328.16272	1.5
329.17612	4.0
329.23273	1.4
375.27469	17.4
376.27805	1.9
409.15027	8.0
410.15692	3.8
411.16391	1.4
435.20187	15.8
436.20621	2.8
461.20831	1.2
463.19748	1.3
479.22836	24.3
480.23343	3.5
483.10992	1.0
489.21347	10.9
490.21216	1.5
507.22339	56.3
507.31052	3.9
508.22745	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	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08954	0.7
53.67059	0.8
58.00462	2.2
59.01250	48.2
69.29872	8.2
71.01249	19.4
72.99195	2.1
85.02817	2.0
87.00746	1.3
89.02321	21.5
94.20870	0.9
95.01251	1.0
101.02322	16.0
109.23100	0.9
113.02340	4.6
119.03392	17.4
130.04137	1.0
131.03415	1.2
143.03397	1.3
145.02782	0.9
145.06509	1.5
149.04427	1.7
155.04930	1.1
158.03661	3.9
158.07291	1.4
159.04410	3.4
159.08064	4.8
161.04442	2.1
172.05219	8.0
173.06006	7.7
173.09608	3.7
174.03125	2.6
174.06721	3.8
175.07542	2.3
179.05516	7.1
185.05930	1.1
186.06813	5.1
187.03987	6.7
187.07565	17.7
188.07924	1.6
200.04716	7.0
201.05508	39.0
201.09119	15.7
202.06253	15.5
202.09491	1.2
203.07047	7.2
214.06361	1.4
215.07031	3.2
228.07890	2.9
229.08653	60.0
230.09425	100.0
231.09789	8.7
239.42593	0.9
246.09093	0.9
247.09758	4.1
327.15854	1.0
409.15039	12.9
410.15781	9.9
411.16135	1.0
507.22180	2.5
521.47980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38575	1.0
58.00464	1.4
59.01252	45.6
70.99654	1.0
70.99966	1.9
71.01257	21.5
72.99180	0.9
73.02834	1.3
73.87751	0.8
77.34354	0.9
85.02840	3.2
86.83841	1.0
87.00758	1.1
89.02322	24.7
90.02731	1.0
96.98916	0.9
101.02319	17.6
113.02360	5.0
119.03399	23.2
131.03474	1.2
143.03413	2.4
145.06496	1.2
157.06606	0.9
157.12613	0.8
158.03668	4.0
158.07274	1.5
159.04442	3.0
159.08113	1.7
160.05226	0.9
161.04506	1.4
172.05228	6.0
173.06004	9.6
173.09671	4.0
174.03201	2.5
174.06743	4.0
175.07605	1.9
179.05545	6.6
185.05954	1.3
186.03175	1.1
186.06779	6.6
187.03938	9.7
187.07596	17.5
200.04805	6.9
201.03627	1.9
201.05505	32.1
201.09148	13.9
202.06271	19.1
202.09589	1.6
203.07089	8.3
211.07643	1.9
214.06363	1.9
215.07021	2.1
228.07784	4.4
229.08662	71.0
230.09439	100.0
231.09799	10.0
246.09055	1.8
247.09705	5.8
270.68500	1.0
327.16098	0.9
394.88062	1.1
409.15054	15.0
410.15753	14.9
411.16101	2.3
507.22375	1.7
507.35455	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	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76803	0.9
58.00475	2.4
59.01255	49.6
67.35246	0.9
71.01253	18.1
71.27794	1.0
71.28111	0.9
72.99203	1.4
75.88290	0.7
83.01256	1.2
84.95244	0.9
87.00752	1.4
89.02321	23.6
89.02849	1.6
95.01238	0.8
97.02865	0.9
101.02328	19.3
105.06975	0.7
113.02332	4.2
119.03398	19.0
131.03322	1.0
143.03467	1.4
146.03618	1.2
158.03627	5.2
158.07233	1.6
159.04408	2.9
159.08096	3.3
161.04576	0.9
172.05202	7.9
173.06013	11.5
173.09576	4.8
174.03148	2.4
174.06741	3.5
175.07579	1.0
179.05528	6.0
183.04369	1.6
184.75792	1.0
185.05971	1.2
186.06850	4.9
187.03986	8.4
187.07587	20.8
200.04707	8.0
201.05513	41.2
201.09167	15.4
202.06277	18.8
202.09596	1.1
203.07057	6.9
211.07613	1.0
214.06293	2.0
215.07111	2.3
228.07877	3.3
229.08669	65.0
230.09435	100.0
231.09833	7.8
232.22507	0.9
246.08917	1.1
247.09773	3.6
249.11349	0.9
253.06342	1.0
327.15866	1.6
352.45013	0.9
391.13995	0.9
409.15088	12.1
410.15756	11.8
411.16534	1.6
473.15900	0.8
507.22104	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	507.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	2.4
59.01250	61.2
69.58126	3.3
69.58556	3.0
71.01254	21.5
72.99174	1.7
83.01267	1.5
85.02814	2.3
87.00745	2.0
89.02315	25.2
90.02661	0.9
101.02328	20.3
103.05379	0.9
110.46049	0.8
110.95763	1.1
113.02334	5.0
117.40855	0.8
119.03389	21.9
143.03349	1.4
143.79884	0.9
144.05693	1.0
145.06474	1.7
155.04903	1.1
158.03615	6.2
158.07339	2.2
159.04398	2.6
159.08057	3.5
161.04486	1.4
171.04396	1.9
172.05209	11.9
173.05998	13.7
173.09644	5.5
174.03108	4.9
174.06779	4.9
175.07559	2.1
179.05566	6.8
183.04350	0.9
185.05983	3.0
186.03133	1.2
186.06796	5.9
187.03935	11.6
187.07561	20.5
188.04367	1.2
190.06366	1.0
200.04732	11.8
200.08284	1.0
201.05508	43.1
201.09134	18.4
201.10855	1.6
202.06279	27.6
202.09444	2.1
203.06961	10.0
208.35770	1.0
211.07649	1.0
214.06404	2.5
215.07111	3.0
228.07858	3.6
229.08661	76.0
230.09425	100.0
231.09839	10.7
243.54100	0.9
246.08893	1.7
247.09627	4.9
249.11227	1.9
327.16043	1.2
409.10114	1.5
409.15015	16.1
410.15738	11.2
411.16507	1.4
447.81494	1.0
507.22491	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	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77439	0.4
57.03320	1.7
59.01250	24.2
60.64528	0.4
71.01246	0.6
71.04872	0.4
71.26777	0.4
73.02818	3.2
83.04888	0.5
89.02320	0.9
95.04904	0.6
101.02291	0.8
110.16483	0.3
131.03384	0.5
137.09607	0.9
139.11183	28.2
140.11508	1.1
149.04465	1.9
155.10619	0.4
163.11171	1.3
165.09119	1.2
166.09413	0.4
169.53835	0.3
181.12263	14.1
182.12598	1.1
183.10182	28.2
184.10516	1.8
188.34282	0.4
191.05573	0.6
199.13333	5.5
225.11287	7.7
225.54868	0.4
226.11649	0.4
233.06581	0.5
243.12344	100.0
244.12692	5.9
252.57408	0.4
285.13638	0.5
372.00702	0.4
375.16589	52.0
376.16925	5.3
444.55005	0.4
507.20862	39.2
508.21170	6.0
515.89685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25441	1.2
57.03318	2.1
58.00469	3.5
59.01252	75.9
60.08272	1.2
61.98698	4.8
70.52629	2.6
70.52988	2.2
71.01253	35.1
72.99177	5.3
73.02818	3.7
78.95779	1.7
83.01266	3.2
83.04929	1.4
85.02832	5.2
87.00755	3.9
89.02313	39.3
93.03306	1.7
97.02819	1.9
97.06471	2.6
101.02319	28.7
109.02821	1.5
113.02345	8.5
114.89175	1.2
115.74571	1.3
119.03394	30.8
123.04386	5.4
125.05939	1.2
131.03357	1.4
131.04942	1.6
133.02884	1.7
135.04420	2.4
137.02380	1.3
143.03403	1.7
145.02867	1.3
145.06520	1.7
146.03587	2.3
149.04471	2.7
150.03123	2.5
151.03900	15.2
158.03653	4.7
158.07253	2.2
159.04405	5.1
159.07985	1.3
161.04440	2.4
161.05878	1.1
172.05200	9.7
173.04576	2.0
173.05983	9.8
173.09601	4.3
174.03139	7.5
174.06755	3.3
175.03844	4.0
175.07518	3.7
179.03433	2.6
179.05540	8.2
179.06915	1.8
181.12305	1.6
185.05963	2.1
186.06790	6.0
187.03949	12.5
187.07567	16.0
188.04608	1.6
188.07884	2.6
191.05521	4.4
200.04739	10.7
200.08322	2.5
201.05513	35.6
201.09161	19.4
202.06296	24.2
202.09546	1.3
203.07018	8.4
211.07629	1.4
211.13347	15.3
213.09123	1.5
214.06319	2.7
215.07051	3.3
225.14838	1.6
228.07857	3.1
229.08665	76.5
230.09439	100.0
231.09871	9.6
235.13437	1.8
246.08813	2.3
247.09688	4.4
253.14439	1.9
255.14008	1.1
281.15512	2.1
299.16501	2.0
313.16373	1.2
327.15958	4.3
409.14972	18.3
410.15698	13.0
411.16110	1.7
435.20102	1.8
461.21689	1.3
479.22913	4.4
489.20953	1.7
507.21689	14.0
507.34433	2.3
508.22089	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	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52834	2.0
54.35649	2.2
58.84098	1.9
59.01249	18.7
61.98701	100.0
71.01240	11.2
72.99167	10.8
73.02810	2.0
75.00740	6.7
76.87556	2.1
85.02817	4.6
89.02306	5.8
90.70564	2.1
99.00755	2.6
101.02325	7.7
111.96954	1.8
113.02278	2.7
119.03369	3.9
149.04523	2.9
151.09007	2.0
161.04430	2.5
171.11374	2.1
200.90768	2.4
245.03966	1.8
247.89384	2.0
285.16974	2.4
371.68692	2.0
434.28372	2.6
443.19168	13.1
447.22278	3.4
517.12152	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	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00881	0.6
57.03312	1.8
59.01251	28.2
61.98680	0.9
69.03328	0.9
69.20234	4.1
69.20650	2.0
71.01246	1.4
73.02805	2.8
89.02312	2.0
101.02287	1.4
106.17368	0.7
127.60799	0.6
128.04921	0.6
131.03381	1.0
135.04422	0.7
135.66476	0.6
137.09677	0.8
139.11186	26.9
140.11540	1.6
149.04454	1.7
151.03925	0.7
151.67216	0.5
161.02437	0.9
163.11229	1.2
165.09071	1.6
181.12271	16.3
182.12572	1.2
183.10190	36.6
184.10524	1.9
191.05553	2.2
197.11745	0.6
199.13316	6.9
217.03941	0.6
225.11279	9.8
243.12346	100.0
244.12706	7.6
273.03207	1.3
280.86734	0.6
300.02887	0.6
301.03088	1.5
302.03262	1.7
303.04083	0.7
330.44385	0.6
355.73511	0.6
357.15637	0.9
375.16586	45.4
376.16992	5.0
442.36594	0.6
453.30090	0.6
467.75638	0.7
475.11615	0.6
507.20917	33.0
508.21286	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	505.3022
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.82363	0.7
55.01759	1.0
55.14017	0.8
57.03319	2.7
58.00471	0.8
58.40169	0.7
59.01256	13.2
61.98694	2.2
67.01763	0.7
68.99685	0.7
71.01255	19.0
72.51759	0.7
72.99181	5.2
73.02811	2.0
75.00748	15.5
78.95779	1.1
85.02821	20.0
87.00753	6.8
89.02328	4.2
89.02805	0.7
95.01270	4.9
98.20650	1.6
99.00756	7.3
101.02352	1.4
103.00253	2.6
112.46008	0.8
113.02339	28.4
114.02699	0.8
115.00286	1.6
117.01821	2.3
129.01819	1.3
132.07707	0.8
173.49564	0.8
175.02429	4.0
205.07112	2.2
221.61052	0.8
223.08151	1.9
229.54573	0.8
249.06088	5.6
255.23279	68.9
256.23627	6.9
267.07150	6.3
445.27783	1.2
487.29221	2.9
505.30179	100.0
506.30496	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	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10987	0.2
56.63097	0.2
57.03318	2.0
59.01252	1.5
64.93945	0.2
65.11436	0.2
69.03338	0.3
69.77672	0.5
69.78062	1.3
71.01299	1.0
71.04893	0.3
73.02814	1.4
74.63570	0.3
81.12028	0.2
85.02856	0.8
87.04464	0.3
89.02371	0.5
93.68246	0.3
97.06521	0.3
98.20516	0.3
101.02337	0.5
111.08069	0.6
113.05981	0.3
123.08093	1.1
125.09612	3.1
127.11173	1.9
131.03415	0.3
136.48593	0.2
137.09612	2.3
141.09189	0.7
143.10718	0.4
149.04547	0.3
153.09134	0.6
153.12862	0.6
155.10701	1.9
171.10182	10.9
172.10576	0.4
175.66493	0.2
178.87669	0.2
183.13855	0.3
185.12018	0.3
191.05417	0.2
192.78682	0.2
200.10565	0.6
201.14931	0.5
223.77277	0.2
229.14511	1.1
230.15207	0.7
243.16011	0.3
327.21786	0.6
343.24823	0.5
355.24863	1.8
356.24927	0.5
371.24316	1.1
373.25931	100.0
374.26266	12.5
505.30099	12.4
506.30466	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88804	0.3
57.37562	0.3
59.01239	1.3
65.90617	0.3
67.44674	0.4
69.29588	0.5
78.95774	11.0
96.96834	1.0
98.20547	0.8
108.91422	0.3
111.56949	0.3
142.30595	0.3
152.99484	17.6
171.00589	1.7
171.91974	0.3
227.03226	2.3
245.04285	2.3
275.01938	0.4
275.20114	0.5
277.21707	100.0
278.22040	11.3
386.55777	0.4
428.61185	0.3
505.25717	26.0
506.26041	4.6
525.06189	0.4
527.44287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44536	0.2
57.03336	0.9
59.01259	1.3
60.21939	0.2
61.75158	0.2
67.42061	0.2
68.78494	0.2
69.03344	0.3
69.56029	1.7
71.01279	0.6
71.04929	0.7
73.02849	0.8
83.04901	0.6
93.06976	3.6
93.89885	0.2
97.06497	0.6
123.08064	0.5
125.09635	0.6
127.11202	0.4
131.03375	0.5
149.04475	0.3
155.14362	0.4
171.10184	1.9
183.13846	2.4
197.11769	0.3
199.16985	0.3
201.14925	0.8
225.14854	1.1
241.14478	0.6
243.15982	17.5
244.16299	1.5
313.23853	1.0
317.63550	0.3
325.23819	0.6
326.97501	0.2
327.25690	0.3
342.94537	0.2
343.24890	9.9
344.25125	1.1
355.24878	2.0
371.24326	0.4
373.25931	100.0
374.26285	12.9
418.98874	0.3
431.18961	0.3
499.16653	0.3
505.30127	17.7
506.30524	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12868	0.8
55.01754	3.4
57.03320	2.6
59.01251	44.0
60.01570	1.2
61.98711	0.9
63.93758	0.8
65.56821	0.8
67.01762	1.2
69.03326	1.2
69.59881	5.1
71.01254	23.3
71.04874	1.9
72.99174	2.8
73.02814	12.3
75.00745	4.3
81.03318	1.2
83.01261	6.3
83.04915	1.2
85.02823	11.6
85.99927	1.0
87.00758	4.2
87.04343	0.9
89.02315	12.3
93.03329	9.6
94.97944	1.6
95.01265	2.1
96.95885	5.7
97.02834	1.3
99.00751	2.7
100.74429	0.8
101.02328	18.9
104.04922	0.8
106.06503	1.1
109.02888	1.4
110.12882	0.9
111.00761	1.4
111.04401	2.1
113.02324	8.5
116.52534	0.7
119.03387	2.9
121.02859	1.2
131.03403	2.6
133.02856	2.3
134.03622	1.3
135.02872	2.8
135.04402	2.9
137.09598	0.8
143.03432	0.8
148.03992	2.3
149.02336	1.0
149.04434	7.3
150.03052	1.7
153.12787	1.0
155.10655	4.8
156.01141	0.7
160.01576	1.3
160.03986	1.0
161.02321	1.9
161.04436	2.4
163.03856	0.9
163.11177	1.8
165.04041	0.9
165.05432	2.0
166.05081	1.4
170.64268	0.8
173.04463	6.2
175.03903	1.5
177.01857	0.9
179.10699	2.7
181.12314	11.4
191.00113	1.6
191.05515	7.0
193.04852	1.3
197.11743	7.0
198.12074	1.2
199.09590	1.1
207.10091	0.8
210.97652	0.9
211.13289	0.9
225.11252	10.4
241.10887	0.8
267.11734	1.0
271.02628	1.9
278.73157	0.8
300.02695	2.3
301.03473	1.0
325.10684	1.8
326.11169	0.9
331.17560	1.9
337.09286	1.6
343.13889	3.0
345.10852	2.1
357.15240	1.0
359.12323	0.9
373.18683	100.0
374.18985	12.4
415.16205	1.1
445.20935	1.1
487.12717	5.8
505.13110	2.0
505.22849	10.1
506.15302	4.9
506.22504	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.9
57.03319	2.1
58.00467	1.2
59.01253	28.3
60.01573	0.4
61.98719	0.4
67.01738	0.4
68.99706	0.4
69.03319	0.9
69.45909	0.3
70.99570	0.5
71.01254	23.8
71.39845	0.3
72.01586	0.3
72.99183	1.4
73.02821	13.1
75.00738	2.0
81.03382	0.3
83.01265	5.2
85.02824	11.5
85.99967	1.4
86.03159	0.5
87.00731	2.0
89.02318	6.8
90.02689	0.3
93.03335	0.4
95.01260	1.8
96.95885	0.9
97.02829	0.8
99.00760	3.4
101.02321	22.9
102.02663	0.4
111.00757	0.7
113.02333	8.5
114.02707	0.4
119.03394	2.3
121.02828	0.3
125.02301	0.5
129.01845	2.8
131.03384	1.1
133.02759	0.3
135.02855	0.6
135.04465	0.5
137.02383	0.4
139.11147	0.5
147.02939	1.7
147.03935	0.2
149.04474	0.8
153.05444	0.5
159.02898	0.7
160.01569	0.4
161.04512	2.2
163.11209	2.5
165.03934	0.8
168.04181	0.3
173.04501	0.5
175.03865	0.5
179.03381	0.6
181.12262	24.4
182.12572	1.4
183.10176	0.5
191.05508	1.5
192.06018	0.3
193.12262	1.2
197.11845	0.3
207.06612	0.4
208.03654	0.4
211.13451	1.3
223.06001	0.7
225.11275	8.7
226.11620	0.5
226.99348	0.3
231.00333	0.3
243.12399	0.9
287.16043	0.3
343.14044	0.4
357.15576	4.0
358.15991	0.4
365.93604	0.3
373.18683	100.0
374.15552	0.5
374.19055	10.7
408.20728	0.3
463.21686	0.5
505.23019	11.2
506.23395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79696	0.8
56.78859	0.7
59.01250	100.0
60.01578	0.9
61.98706	4.0
68.54304	0.7
70.87511	2.5
71.01251	4.5
72.99162	1.4
73.02805	1.9
75.00740	2.4
79.86627	0.7
85.02825	2.3
89.02337	4.1
101.02299	4.2
103.86108	0.7
109.02893	0.9
113.02322	1.5
119.03403	1.1
119.04870	1.4
121.02871	1.2
138.97551	0.7
149.04506	1.4
151.03818	1.9
152.97890	0.8
161.02335	15.7
161.04437	1.6
163.03854	1.5
163.93857	0.7
164.01018	0.7
176.04712	9.8
179.03429	25.8
191.05493	3.6
191.07079	4.5
194.05769	30.2
195.06183	1.5
209.08133	91.0
210.08398	4.9
239.34984	0.7
257.44403	0.7
445.21207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43567	0.6
57.03333	5.3
58.09460	0.5
59.01249	100.0
60.01586	1.3
61.98710	1.8
69.03327	0.8
69.67278	3.9
71.01250	5.0
71.04916	0.9
71.09424	0.6
71.87130	0.5
72.99184	0.7
73.02817	3.4
75.00749	2.0
83.01287	0.5
83.04884	1.2
85.02813	2.6
87.00758	2.4
89.02322	10.0
93.03359	1.5
95.04932	0.5
97.06441	0.6
98.20480	0.8
99.03836	0.6
99.04381	3.6
101.02324	2.7
103.03890	1.0
103.29232	0.5
113.02370	1.3
119.03394	1.3
119.08531	4.0
131.03397	2.6
133.02866	2.4
134.03638	1.0
135.02937	1.2
135.04428	2.1
135.08057	1.2
135.11691	1.1
137.09596	7.6
149.04454	38.9
149.36397	0.6
150.04784	0.8
151.00241	0.8
155.10715	0.8
161.02356	4.6
161.09683	1.0
163.03928	1.8
163.07568	2.3
165.05403	0.7
173.04355	0.8
179.10678	4.1
179.11955	0.5
181.08615	12.8
181.12256	0.7
182.09012	1.4
191.05527	12.6
191.07147	1.0
192.06030	0.7
193.05022	1.1
197.11755	57.8
198.12140	2.4
214.94003	0.7
223.09807	1.1
241.10777	50.8
242.11148	3.5
263.66925	0.6
269.04553	4.4
297.31604	0.6
300.02869	1.6
326.03140	2.1
343.03354	0.8
343.10364	1.7
344.04254	0.6
373.14999	59.7
374.15317	5.9
505.13535	2.5
505.19409	35.9
506.09595	1.4
506.19217	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	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.1
57.03318	2.0
58.00468	1.3
59.01252	25.8
61.98695	0.5
71.01254	17.7
71.37619	0.7
72.99185	2.0
73.02817	12.3
75.00745	2.0
83.01261	5.3
83.95178	0.4
85.02825	10.1
85.99992	1.2
86.03223	0.4
87.00744	2.2
89.02325	5.8
95.01270	1.8
96.95890	0.7
99.00753	2.2
101.02325	17.3
113.02322	6.1
119.03407	2.0
125.02359	0.6
129.01811	2.5
131.03377	0.8
135.04390	0.6
135.78839	0.5
143.03363	0.6
145.96187	0.4
147.02904	1.9
149.04462	0.9
161.04482	2.5
163.11203	1.7
165.03859	0.6
168.04170	0.5
173.04617	0.6
176.00862	0.4
181.12265	20.3
182.12595	0.9
183.10153	0.6
191.05537	1.1
193.12216	0.8
197.11920	0.5
199.84184	0.5
211.13359	0.9
223.06119	0.7
225.11299	9.2
271.88446	0.4
272.10449	0.4
357.15518	5.3
358.16006	0.8
373.18683	100.0
374.14859	1.1
374.19037	9.3
374.23331	0.7
505.23050	11.4
506.23163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58810	0.3
59.01257	1.4
64.51027	0.3
68.66323	0.3
71.05199	0.9
78.95776	1.1
98.17204	0.3
121.02847	100.0
122.03188	3.8
133.26753	0.3
137.42366	0.3
148.60059	0.3
152.99449	0.6
173.04503	0.5
173.19023	0.3
179.33394	0.4
180.05711	0.6
181.06479	3.1
194.09113	0.3
197.05978	2.9
198.06363	0.3
207.04410	0.8
207.08073	0.4
223.03987	0.6
225.05493	2.3
240.13206	0.3
251.07254	0.4
257.09784	0.9
278.22156	0.4
279.22147	0.5
295.06198	0.5
313.07181	6.0
314.07626	0.5
357.06290	1.0
373.10785	0.5
383.07758	1.0
417.09760	11.1
418.10153	1.3
492.56378	0.3
505.11389	8.5
505.30313	0.4
506.11710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.5
58.65562	0.3
59.01252	6.3
63.05584	0.3
69.03353	0.4
70.50800	0.9
71.01265	1.7
73.02830	1.5
78.85465	0.2
78.95789	0.2
79.69707	0.3
82.72114	0.3
83.04925	0.4
85.02827	0.5
87.00757	3.6
87.01205	0.3
87.04422	0.8
87.83386	0.2
89.02333	1.9
93.03379	0.5
97.02869	0.5
97.06501	0.6
101.02374	0.8
103.55599	0.3
113.02359	0.3
123.08081	1.0
125.09608	3.2
131.03455	0.6
137.09656	0.6
139.11212	1.0
141.09158	0.6
141.12785	1.0
143.10739	0.4
149.04465	3.5
151.11263	0.5
153.09167	0.7
153.12892	0.3
155.10745	0.4
163.11263	0.5
169.12294	0.6
171.10185	9.7
172.10588	0.6
173.04523	0.5
174.39207	0.3
186.06750	0.4
187.07571	0.4
191.05617	0.8
197.11758	0.4
200.10518	0.8
211.04059	0.6
211.07649	0.7
214.06339	0.7
215.06924	0.5
215.12857	0.7
225.05531	0.7
225.09204	1.0
227.03444	0.4
227.10748	0.9
227.12860	0.4
228.13652	0.6
229.08710	0.4
230.35172	0.3
237.09268	0.3
239.07150	1.2
239.10812	0.5
253.08815	0.4
254.09483	0.6
255.02950	1.7
255.10295	1.2
255.13966	1.0
270.12338	0.4
280.11105	0.6
283.02524	3.0
283.13385	2.5
284.03238	0.5
298.04855	2.9
298.12115	0.7
299.05582	1.2
299.16525	0.5
309.14902	1.9
311.12885	3.7
311.22287	0.7
312.13315	0.5
323.22284	0.9
327.15994	4.9
328.16437	0.6
341.23337	7.5
342.23691	0.9
353.13837	2.5
353.23209	1.8
354.14258	0.4
369.22787	1.1
371.14954	5.6
371.24377	100.0
372.15195	0.8
372.24725	10.4
503.12714	1.4
503.28549	11.1
504.28680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.41616	0.2
54.93246	0.2
58.00471	0.3
59.01251	13.0
61.98711	0.5
63.02272	0.4
65.00188	0.9
67.56316	0.2
70.80981	0.4
70.81294	0.3
71.01255	7.7
71.04875	0.5
72.99170	0.6
73.02821	2.7
75.82784	0.2
81.54260	0.2
83.01280	1.1
85.02831	1.4
87.00766	0.3
89.02316	10.5
91.01766	0.4
93.03336	0.4
95.01260	0.6
96.95885	0.2
99.00768	4.0
101.02323	5.1
107.01273	2.4
108.02041	1.4
109.02817	1.5
110.77357	0.2
113.02330	1.8
119.03388	0.8
121.02839	1.6
124.01543	0.4
125.02341	1.0
131.03407	2.1
133.02835	0.3
135.00739	0.6
135.04410	0.4
136.01634	0.3
143.03404	0.3
148.01576	1.4
149.02510	0.4
149.04459	8.5
151.00279	10.8
152.00784	0.3
153.01863	0.3
159.01399	0.2
159.04396	0.4
161.02333	0.8
161.04439	0.9
163.00299	2.3
164.01025	0.9
165.01778	0.2
169.01318	0.8
173.04510	0.3
173.06003	0.3
174.03207	0.2
175.03929	0.3
178.99796	5.1
179.03342	0.4
179.05475	0.3
179.10683	0.5
181.08701	0.3
183.04437	0.5
187.03938	0.6
191.05537	2.7
191.73204	0.3
192.00522	0.5
193.01312	0.3
197.11787	3.0
198.03021	0.4
199.03964	1.1
199.05602	0.2
200.04686	0.2
201.01857	0.3
201.05484	0.5
203.03424	0.8
211.04002	1.1
212.04509	0.3
215.03473	1.0
216.04176	0.4
221.06642	0.5
225.05452	0.2
226.02628	2.2
227.03444	3.7
228.03989	0.6
229.01250	0.3
229.05002	0.8
239.03496	0.5
241.10773	1.6
243.02960	11.1
243.06657	0.5
244.03369	1.4
245.04506	1.3
251.07643	0.7
254.02206	2.3
255.02965	27.1
256.03369	2.4
270.04654	0.2
271.02472	59.3
272.02902	6.4
273.03934	1.1
283.02505	1.4
299.02109	1.4
300.02737	100.0
301.03442	41.7
302.03870	3.6
312.16132	0.2
331.04605	0.4
331.17770	0.4
343.04492	0.5
344.05200	0.3
373.14938	1.3
373.22223	0.4
374.15152	0.3
374.35693	0.2
463.08847	2.8
464.08524	0.3
505.09888	55.9
506.10229	8.9
506.17145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32623	0.9
53.53098	0.9
57.60407	0.9
59.01249	100.0
59.96347	0.9
60.01579	1.8
61.98703	1.0
71.01250	19.8
71.48844	1.1
71.49256	1.3
72.99165	2.2
73.02811	1.3
75.50887	0.9
85.02821	2.7
87.00743	2.9
89.02315	32.9
93.03361	1.2
95.01269	1.3
101.02323	11.6
113.02332	9.9
114.57174	0.9
119.03389	11.4
125.02382	1.3
131.03410	1.9
143.03409	3.0
149.04439	3.7
161.04472	4.4
179.05536	14.8
191.05579	4.9
196.37234	1.0
225.29008	1.0
233.77083	0.9
281.13730	1.5
325.42828	1.1
328.83353	0.9
399.94913	1.1
462.41431	1.0
503.21536	1.4
513.05511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
57.69657	0.7
59.01249	1.4
71.01247	0.7
71.41489	1.3
78.95772	43.1
85.60923	0.7
91.35304	0.7
96.96846	3.1
105.87614	0.7
133.14359	0.8
150.97868	1.1
152.99489	52.7
153.99774	1.8
169.37090	0.7
171.00558	17.5
179.05692	0.8
227.03215	2.8
231.21141	34.9
232.21445	3.1
245.04276	100.0
246.04604	4.2
275.20148	40.7
276.20593	5.7
287.68961	0.9
290.30063	1.0
293.45966	0.9
362.78049	0.8
379.01468	0.9
462.19589	0.8
503.24155	20.4
503.31009	0.8
504.24356	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	503.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.00964	0.8
59.01249	14.4
60.26031	0.5
60.99155	2.0
61.98685	0.7
62.74826	0.5
67.01762	4.6
69.03320	2.0
69.25066	5.0
69.33455	0.4
71.01255	9.5
71.04874	0.5
72.99171	1.1
73.02817	3.6
75.00752	3.0
78.42709	0.5
81.03326	1.2
83.01249	0.8
83.04906	2.7
85.02356	0.9
85.02825	11.8
87.00750	9.7
89.00546	0.5
89.02311	5.7
90.98505	0.6
93.03336	32.0
94.03667	1.4
95.01237	0.6
97.06434	0.8
99.00751	2.2
99.04390	1.5
101.02332	4.5
109.02820	2.3
111.04411	4.9
113.02341	3.1
115.03902	1.0
119.03394	0.9
121.02865	0.5
127.03085	0.5
127.03869	2.9
129.01810	1.4
129.61775	0.5
131.03395	1.8
133.02849	1.2
135.04398	0.9
135.11649	1.7
141.05434	0.6
143.03401	1.0
145.02841	1.1
146.03639	3.8
147.02910	0.8
147.04417	6.1
147.11705	1.4
149.03310	0.8
149.04457	10.8
151.03854	0.7
151.11214	1.0
153.01770	0.6
155.03394	1.2
159.04422	2.1
161.02310	0.7
161.04475	1.4
165.03955	2.6
171.02954	0.5
173.04474	14.6
177.01788	0.9
177.06590	0.7
177.09102	0.5
179.03490	0.5
179.05511	0.6
179.10699	8.9
180.79897	0.5
191.05537	100.0
191.31499	0.5
192.05891	3.8
195.10204	1.0
197.84775	0.5
199.07571	0.6
201.09221	0.6
206.59183	0.5
211.07648	1.1
212.08273	0.6
220.66219	0.5
223.09732	1.7
225.05560	0.5
225.09108	1.0
226.09772	0.5
227.10658	2.0
233.06371	0.6
239.09103	1.0
259.13385	0.7
267.14038	0.7
268.07419	1.5
283.09741	2.2
285.14969	2.9
311.12866	1.4
312.67139	0.5
327.08716	1.7
329.13947	3.5
353.06653	2.8
355.13925	2.9
370.02307	0.5
371.07870	0.5
371.13065	2.3
371.20667	2.2
371.24640	1.5
485.17554	0.8
503.18979	27.3
503.25156	1.4
504.19492	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	503.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
59.00964	0.8
59.01249	14.4
60.26031	0.5
60.99155	2.0
61.98685	0.7
62.74826	0.5
67.01762	4.6
69.03320	2.0
69.25066	5.0
69.33455	0.4
71.01255	9.5
71.04874	0.5
72.99171	1.1
73.02817	3.6
75.00752	3.0
78.42709	0.5
81.03326	1.2
83.01249	0.8
83.04906	2.7
85.02356	0.9
85.02825	11.8
87.00750	9.7
89.00546	0.5
89.02311	5.7
90.98505	0.6
93.03336	32.0
94.03667	1.4
95.01237	0.6
97.06434	0.8
99.00751	2.2
99.04390	1.5
101.02332	4.5
109.02820	2.3
111.04411	4.9
113.02341	3.1
115.03902	1.0
119.03394	0.9
121.02865	0.5
127.03085	0.5
127.03869	2.9
129.01810	1.4
129.61775	0.5
131.03395	1.8
133.02849	1.2
135.04398	0.9
135.11649	1.7
141.05434	0.6
143.03401	1.0
145.02841	1.1
146.03639	3.8
147.02910	0.8
147.04417	6.1
147.11705	1.4
149.03310	0.8
149.04457	10.8
151.03854	0.7
151.11214	1.0
153.01770	0.6
155.03394	1.2
159.04422	2.1
161.02310	0.7
161.04475	1.4
165.03955	2.6
171.02954	0.5
173.04474	14.6
177.01788	0.9
177.06590	0.7
177.09102	0.5
179.03490	0.5
179.05511	0.6
179.10699	8.9
180.79897	0.5
191.05537	100.0
191.31499	0.5
192.05891	3.8
195.10204	1.0
197.84775	0.5
199.07571	0.6
201.09221	0.6
206.59183	0.5
211.07648	1.1
212.08273	0.6
220.66219	0.5
223.09732	1.7
225.05560	0.5
225.09108	1.0
226.09772	0.5
227.10658	2.0
233.06371	0.6
239.09103	1.0
259.13385	0.7
267.14038	0.7
268.07419	1.5
283.09741	2.2
285.14969	2.9
311.12866	1.4
312.67139	0.5
327.08716	1.7
329.13947	3.5
353.06653	2.8
355.13925	2.9
370.02307	0.5
371.07870	0.5
371.13065	2.3
371.20667	2.2
371.24640	1.5
485.17554	0.8
503.18979	27.3
503.25156	1.4
504.19492	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	503.1775
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
54.87189	1.4
55.01755	11.8
57.03320	3.0
58.00467	1.7
58.00888	1.3
59.01250	65.4
61.98709	2.2
67.01733	1.6
69.03316	4.3
71.01254	62.3
72.01602	1.7
72.99169	3.1
73.02818	20.4
75.00754	11.7
77.67687	1.3
83.01247	5.8
83.04926	1.7
85.02818	21.7
87.00761	8.7
87.04440	1.5
89.02318	56.2
93.03342	3.1
94.63510	1.4
95.01252	2.9
97.02802	3.3
99.00764	6.6
101.02326	36.4
103.03852	2.0
109.02821	5.7
111.00758	3.3
111.04424	2.9
113.02337	22.1
114.98080	1.4
117.01812	2.4
119.03421	11.7
125.02299	2.8
129.01808	5.3
131.03409	14.4
133.02852	3.0
133.10126	2.1
135.02911	9.2
135.04387	3.9
135.11702	18.3
143.03362	2.8
145.02834	1.9
146.03600	3.5
147.02876	6.2
147.04414	5.2
147.11720	1.9
149.04462	87.0
150.03104	3.3
150.04773	2.3
159.04346	2.8
161.02371	2.9
161.04517	8.9
161.05681	1.5
161.09642	15.1
163.04150	1.9
165.03972	15.9
165.05342	3.0
173.04478	3.3
173.06044	4.5
179.03426	2.4
179.05496	4.7
179.10698	100.0
180.10989	5.4
191.05507	14.0
192.06067	1.8
195.06511	1.9
203.10732	2.1
223.07593	3.3
223.09706	41.6
224.10092	2.8
233.06573	4.8
266.05859	3.3
267.06747	2.7
271.02530	2.2
283.02255	1.7
283.09668	6.0
299.01959	3.7
300.02762	2.1
308.06552	1.9
323.08939	2.4
327.08762	3.5
341.12402	25.7
342.12589	2.5
353.06662	4.7
353.12567	2.9
355.13919	16.4
356.14410	3.7
371.13608	11.6
371.20871	19.4
372.21017	1.8
401.35626	1.7
443.15170	1.8
467.25079	3.0
485.16855	4.3
503.17618	87.1
503.24893	41.0
504.17975	11.7
504.25488	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.8
56.14493	0.5
57.03318	5.3
58.00462	1.3
59.01246	31.2
61.98704	1.9
65.85416	0.6
67.01754	4.5
69.03321	1.9
69.16639	0.6
71.01250	38.7
71.50004	0.7
72.99169	1.8
73.02812	14.9
73.03203	1.2
75.00737	7.7
81.03328	1.7
83.01260	5.4
83.04887	2.2
85.02812	17.0
85.93557	0.6
85.99952	0.6
86.74218	0.5
87.00744	6.0
89.00538	1.5
89.02314	11.3
90.98470	0.9
93.03328	21.6
95.01269	2.5
97.02809	2.4
99.00747	6.6
99.04391	1.4
100.63763	0.7
101.02317	25.9
109.02818	1.4
111.00760	1.4
111.04385	4.5
113.02316	12.7
113.03080	0.9
115.03875	1.4
116.27667	0.6
123.27622	0.6
125.02330	3.3
127.03979	0.6
129.01842	2.4
131.03381	3.4
133.10114	0.8
135.04349	0.8
135.11694	5.9
137.02365	3.5
141.68639	0.6
143.03397	1.8
144.00504	0.6
146.03598	0.7
147.02910	2.4
147.04224	0.7
148.05165	0.9
149.04448	11.3
155.03397	3.7
155.10683	0.9
159.02896	2.6
159.04419	2.0
161.02382	1.0
161.04453	14.9
161.09607	1.7
165.03957	14.2
165.05333	0.6
172.05241	0.7
173.04466	100.0
174.04779	4.0
179.00082	1.5
179.10680	28.2
180.11055	2.2
180.99710	2.6
186.06699	0.8
191.05533	5.2
211.07539	2.3
212.08203	1.1
223.09705	15.0
223.13303	1.4
225.09134	1.7
225.11278	1.1
227.10771	3.6
233.06624	1.9
259.13483	1.8
269.90445	0.6
283.13303	0.9
285.14944	8.2
293.08682	1.4
327.16113	1.2
329.13907	8.1
330.14511	1.3
341.12296	0.8
353.06854	0.8
355.13959	11.0
356.14264	1.1
360.21219	0.7
371.13449	10.6
371.20712	21.3
371.24411	1.5
372.21042	1.6
415.19766	0.9
503.17694	19.3
503.25018	50.8
504.18094	2.6
504.25348	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.2
57.03329	1.4
59.01251	29.6
59.63167	1.1
62.12511	1.2
68.99708	1.4
69.03314	1.9
69.18546	3.8
69.18966	8.4
71.01252	19.1
73.02828	9.8
77.03838	2.8
83.01247	2.4
85.02831	4.4
87.00750	43.3
87.04412	1.7
89.01776	1.3
89.02317	25.5
89.03835	1.4
93.03326	3.3
95.01255	1.4
95.04911	6.0
97.06483	2.1
101.02315	7.9
105.03345	14.6
106.04128	1.7
109.06459	2.3
111.00774	3.3
113.02344	5.0
121.02845	3.3
123.04363	2.1
128.38310	1.1
131.03395	8.6
133.02849	100.0
134.03667	28.8
135.04416	88.2
136.04741	3.9
137.02330	22.6
139.03912	7.1
149.04457	70.3
150.03149	2.5
150.04849	1.4
159.04457	2.4
161.02391	1.6
161.04474	1.8
163.03909	2.6
164.15063	1.4
172.05215	2.6
173.04483	2.4
173.05914	2.6
174.06715	1.7
174.91541	1.0
177.01854	90.1
178.02631	65.5
178.06250	4.5
179.03415	50.3
179.06866	1.3
180.03749	2.1
183.04359	4.0
185.05984	2.1
186.06787	17.7
187.07591	6.5
191.05518	5.8
193.08621	28.4
194.08957	1.4
197.06038	2.7
199.03886	1.8
199.07639	2.0
200.04683	3.9
201.05502	4.0
201.09126	3.6
203.06995	1.2
209.11775	1.3
211.03972	2.3
211.07555	4.2
212.04761	1.4
212.08414	1.9
213.08972	1.5
214.06319	25.4
215.07074	17.5
224.04765	1.6
225.05643	2.3
226.02650	2.0
226.06352	1.6
226.09924	3.4
227.03491	2.5
227.07027	3.1
227.10683	1.8
229.08629	14.5
230.09325	4.7
239.03427	1.2
245.82983	1.2
253.08681	3.7
255.06631	2.5
255.10280	1.6
255.13828	7.3
267.10315	1.8
268.10782	1.6
269.11847	1.8
270.12692	1.8
271.09552	1.2
274.08502	3.2
281.04315	1.7
281.15402	2.8
283.13382	5.2
299.12961	2.7
299.16260	2.8
309.14868	3.3
311.12820	6.3
324.10052	2.0
325.14337	1.9
327.12302	8.3
327.16019	11.9
343.15500	3.9
353.13895	23.3
354.14197	3.2
355.25049	1.3
371.11240	36.2
371.15131	17.1
371.24368	2.6
372.11481	2.8
372.15588	2.1
387.24017	2.5
503.19427	3.2
503.32281	14.3
504.20023	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	503.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09122	0.6
52.61138	0.6
59.01249	13.5
59.44317	0.6
69.28242	3.5
69.28670	2.7
71.01255	4.5
73.02811	3.2
77.03826	2.1
85.02850	1.4
87.00755	11.9
89.02316	11.9
89.03810	1.0
89.09474	0.6
93.03339	2.2
95.04893	5.7
97.45083	0.5
101.02303	1.1
103.03867	1.1
105.03337	17.5
105.04023	1.1
109.06441	0.7
121.02867	2.1
123.04420	1.8
125.54591	0.6
131.03392	4.1
132.02063	0.9
133.02847	100.0
134.03679	16.3
135.04411	36.3
135.05467	1.2
136.04726	1.5
137.02336	11.6
139.03865	3.3
149.04462	35.8
150.03102	1.0
150.04778	1.6
151.03912	1.3
159.04378	0.9
163.03940	1.5
163.54150	0.7
172.05188	0.9
173.04457	1.3
177.01852	79.0
178.02631	47.2
178.06206	2.9
179.03415	23.5
180.03796	1.1
183.04358	1.3
185.05986	0.8
186.06749	4.1
187.07539	2.0
191.05533	3.5
191.85899	0.6
193.08629	15.4
197.05992	0.8
200.04726	0.7
201.05482	0.6
201.09282	0.7
209.11911	0.6
211.03996	1.0
211.07530	2.3
213.05423	0.7
214.06300	5.2
215.07101	4.3
224.08284	0.7
225.05460	1.9
225.09306	1.0
226.10031	1.4
227.03482	0.8
227.10628	0.8
228.32840	0.7
229.08626	3.5
230.09323	0.8
231.10179	0.9
232.57974	0.6
237.09145	1.2
239.07130	0.7
251.07086	1.2
251.10762	2.5
252.07623	0.7
252.11600	0.8
253.08542	1.4
254.09477	1.0
255.10185	1.4
255.13885	3.4
265.12473	0.9
270.12729	0.8
279.10327	1.8
280.10843	4.2
281.15482	1.8
283.13171	4.0
299.16492	1.2
309.14896	9.6
311.12894	2.1
324.09793	1.0
325.14526	1.1
327.12326	4.4
327.16037	10.1
327.25262	1.0
328.16287	1.6
353.13910	18.4
354.14493	1.4
355.24893	1.3
371.11240	13.1
371.15103	8.2
371.24167	1.5
372.11633	1.1
399.22189	0.6
424.22153	0.8
434.96570	0.7
503.19623	1.1
503.29944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83265	0.7
55.10395	0.6
57.03317	1.1
59.01254	8.3
65.00197	0.7
69.03310	1.1
69.41163	3.5
69.41573	1.5
71.01267	2.5
73.02836	0.9
75.15598	0.7
77.03830	2.3
80.68410	0.5
83.01262	0.7
83.18983	0.6
85.02842	1.8
86.30383	0.6
87.00761	7.2
87.99196	0.7
89.02318	5.0
89.03860	1.4
93.03341	2.5
95.04897	4.6
101.02328	3.2
101.97861	0.6
105.03354	18.5
111.00771	0.7
113.02357	0.8
121.02822	2.0
123.04431	2.2
131.03398	2.2
133.02858	100.0
134.02330	0.6
134.03694	19.7
135.04422	47.0
136.04779	2.8
137.02364	12.5
139.03899	2.7
149.02391	1.0
149.04469	12.2
150.03149	1.4
151.03932	0.9
161.02423	0.6
163.03900	2.9
164.04692	0.8
172.05215	1.1
173.04495	1.2
177.01865	78.4
178.02643	49.2
178.06128	3.7
179.03424	30.0
180.03812	1.3
183.04385	0.8
185.06029	1.4
186.06815	2.5
187.07565	1.4
191.05608	2.1
193.08652	15.8
194.09113	0.7
196.05254	1.1
197.05916	0.9
199.07397	0.8
203.97342	0.6
209.11919	0.9
211.03976	1.1
211.07678	2.0
213.05409	0.7
214.06302	2.4
215.07079	1.2
225.05600	1.5
225.09163	3.6
226.06183	1.1
226.09892	1.2
227.03497	1.3
227.10704	1.7
227.97360	0.7
229.08731	2.4
237.09207	1.5
239.07098	2.0
239.10760	2.1
251.07138	0.8
251.10754	1.9
252.08037	0.7
253.08675	1.4
254.09448	3.0
255.03001	3.3
255.10304	2.5
255.13818	4.3
258.08722	0.7
265.12427	1.0
265.18149	0.9
267.10309	0.9
270.12506	1.0
279.10199	0.8
280.11017	4.6
281.11597	0.8
281.15482	1.6
283.02545	4.6
283.13492	8.8
284.03195	1.2
284.13800	0.9
298.04730	3.8
298.12097	1.2
299.05627	5.1
299.16522	1.1
307.41287	0.7
309.14972	9.6
311.12839	5.5
311.22287	0.8
327.12378	5.8
327.16080	16.1
328.12799	1.0
328.16159	1.5
353.13937	10.9
354.14404	1.1
371.11386	19.9
371.15192	8.1
371.24371	8.5
372.11746	2.5
385.02078	0.7
427.92175	0.7
503.12027	2.0
503.19238	1.1
503.32990	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	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94498	1.1
57.03326	1.6
59.01254	29.9
59.79050	1.0
67.57623	0.9
69.03335	0.9
71.01252	19.0
71.51086	1.9
73.02817	7.0
83.01270	2.2
85.02809	5.1
87.00745	45.2
89.02316	29.3
89.03838	1.4
93.03334	3.8
93.25371	0.9
95.04909	4.2
97.06497	2.4
101.02316	9.5
103.03850	2.0
105.03334	15.7
109.06479	1.5
111.00764	3.8
113.02316	2.2
121.02811	2.8
123.04407	1.7
131.03387	9.4
132.02032	1.3
133.02846	100.0
134.03658	27.2
135.04411	94.0
136.04765	3.6
137.02347	21.2
139.03928	6.9
147.74713	1.1
149.04460	75.7
150.03117	2.4
150.04840	1.8
158.03697	1.7
159.04289	1.1
161.04393	1.3
163.03902	4.0
164.93231	1.0
171.04462	2.7
172.05226	3.2
173.04420	3.0
173.05908	2.4
174.06717	1.6
177.01852	91.2
178.02632	65.6
178.06075	5.2
179.03412	57.8
180.03761	2.0
183.04425	2.9
186.06772	15.1
187.07558	6.7
191.05530	5.5
193.08629	27.8
194.08989	1.9
197.05949	2.5
198.03075	1.4
199.03900	1.2
199.07584	1.5
200.04668	3.9
200.08322	1.2
201.05540	5.6
201.09152	5.2
209.11758	1.5
211.03885	3.1
211.07593	4.1
214.04248	1.7
214.06297	29.9
215.07062	17.9
216.07596	1.7
224.04926	1.2
225.05508	2.3
226.02603	1.8
226.09940	3.9
227.03439	2.5
227.07071	2.8
227.10745	2.2
229.08664	14.9
230.09314	6.2
231.10165	1.3
245.11557	1.3
251.10751	2.6
253.08675	4.3
255.06644	1.6
255.10147	1.8
255.13885	8.9
267.10208	2.8
270.12689	2.0
274.08524	3.7
281.15472	2.5
283.13330	5.3
296.10339	1.6
299.12839	2.2
299.16467	3.3
309.14975	4.8
311.12839	8.2
324.09967	2.6
325.14426	2.6
327.12302	8.7
327.16013	12.7
343.15408	2.6
353.13892	32.3
354.14151	3.2
371.11209	35.5
371.15118	19.2
371.24283	2.2
372.11615	5.5
372.15720	2.4
387.23923	2.2
406.12485	1.4
461.31000	1.4
503.19516	3.0
503.32275	15.3
504.20871	1.8
504.32977	1.4
526.52557	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	503.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84155	0.5
55.01759	1.2
57.03315	1.0
59.01251	10.2
61.98711	1.0
69.03327	0.6
69.43712	3.3
69.44136	0.9
71.01255	5.2
72.99156	0.7
73.02850	2.6
75.00747	3.7
83.04932	0.7
84.01963	0.5
85.02823	1.4
87.00755	1.3
89.02311	6.2
93.03333	1.3
95.01217	0.5
98.20543	1.0
99.00754	0.6
101.02330	3.0
106.88001	0.6
108.02084	0.9
109.02839	4.6
113.02328	2.0
119.03428	0.8
119.04906	3.8
121.02855	1.4
122.03578	0.7
123.04402	0.9
129.01848	0.9
129.03372	7.7
130.04173	1.4
131.03406	1.2
133.02873	1.5
135.02890	4.5
135.04427	1.3
135.11719	1.6
137.02364	1.0
145.02850	12.6
145.03938	0.9
146.03641	36.4
147.04422	100.0
148.04764	4.1
149.04462	12.5
151.03888	0.5
157.80983	0.5
158.03665	1.4
159.04424	5.2
161.02313	1.6
161.04582	0.6
161.06015	2.0
161.09547	0.9
165.03976	4.6
173.02267	0.6
173.04478	1.7
173.05898	1.2
175.03868	0.6
177.02086	0.6
179.03392	1.0
179.10693	9.8
180.10982	1.0
185.02394	0.6
191.05519	3.8
197.44957	0.5
199.09612	0.5
209.06000	0.7
221.06213	0.6
223.09737	3.9
229.01421	2.4
238.06291	1.3
239.07013	0.8
248.04578	0.5
249.05614	1.5
250.06444	1.1
251.07120	1.0
252.04237	0.7
265.05029	4.3
266.05814	10.0
267.06497	5.3
268.07388	11.9
269.07852	1.2
271.02582	0.8
281.08212	6.4
282.08594	0.8
283.09753	24.0
284.10120	2.7
293.04672	1.7
294.05151	3.0
297.11990	1.3
300.02747	1.3
309.07690	5.0
327.08746	18.8
328.09119	1.8
338.04211	0.9
341.12466	2.3
353.06662	45.6
354.06940	4.5
355.13947	1.2
371.07675	4.1
371.12607	1.8
372.08005	0.8
503.17517	5.9
504.11996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.5
61.98702	100.0
71.49600	0.6
78.95794	0.6
79.60920	0.5
95.21134	0.4
96.95898	0.4
116.24337	0.5
161.42238	0.5
163.82950	0.5
267.82217	0.5
273.10867	0.5
275.77573	0.5
368.64566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76418	0.1
59.01245	1.1
61.98645	0.1
64.57168	0.1
71.01254	0.3
71.49844	0.2
78.95776	6.9
83.04906	0.2
87.00735	0.2
97.06488	0.2
108.28147	0.1
114.08469	0.1
127.07556	0.1
133.73396	0.1
137.94939	0.1
152.99466	0.5
168.04222	1.8
171.00529	0.1
187.07549	0.1
214.06380	0.2
215.07150	0.1
224.06909	1.1
229.08395	0.1
233.22708	0.3
242.07954	3.3
243.08356	0.2
259.20627	0.4
275.20242	0.3
277.21707	100.0
278.22043	10.0
278.26495	0.2
307.19095	0.1
356.63397	0.1
491.17990	0.1
500.85187	0.1
502.29410	6.9
503.29678	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	503.1197
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01244	1.1
63.02272	0.2
65.00214	0.4
69.25354	1.0
69.25776	0.4
72.99169	0.2
73.02814	0.2
83.01250	0.2
85.02830	0.4
87.00747	0.5
89.02324	0.4
93.03347	0.6
101.02303	0.4
106.82686	0.1
107.01298	0.3
109.99981	1.0
113.02364	0.2
117.03337	0.5
131.03352	0.2
132.02110	0.2
133.99985	0.3
136.98715	0.3
141.03407	0.2
149.04445	0.7
151.00240	0.6
152.14145	0.1
155.04881	0.2
159.04466	0.4
161.99460	0.4
165.01855	1.1
173.05951	0.2
177.99115	0.2
183.02930	0.2
183.04448	2.4
184.04810	0.2
185.02396	0.3
190.36771	0.1
191.05659	0.2
199.03996	0.3
200.04716	0.3
209.96994	0.1
210.03200	0.3
211.03940	3.2
212.04501	0.4
213.01944	0.2
223.02390	0.2
226.02617	0.3
227.03442	13.7
228.04039	2.2
229.04539	0.2
238.49535	0.2
239.03366	0.3
240.04179	0.2
241.05016	0.2
243.06432	0.8
255.02959	53.3
256.03488	7.0
269.04501	0.4
270.05200	0.1
271.06033	0.8
281.04477	0.2
282.01852	0.2
283.02466	80.5
284.03128	24.9
285.03601	1.6
297.04092	0.2
298.04813	54.1
299.05569	100.0
300.05927	9.6
311.12823	0.3
312.16165	0.2
327.15924	0.8
341.06619	0.7
353.13907	0.4
371.15018	0.7
371.24365	1.4
443.09134	0.2
461.10861	0.4
474.87225	0.2
503.11951	38.0
504.12277	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	501.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61683	0.2
59.01250	100.0
60.01583	1.1
61.98704	1.3
64.35078	0.2
69.21181	2.9
69.91286	0.3
71.01257	2.8
73.02828	1.6
83.92209	0.3
85.02837	1.2
87.00780	0.5
89.02296	1.5
95.01246	0.3
99.00808	0.3
101.02340	1.7
111.00784	1.1
113.02319	1.5
116.92740	0.2
119.03390	0.5
131.03387	0.4
149.04506	0.6
161.02457	0.3
161.04494	0.8
173.00885	0.3
179.20204	0.3
187.83984	0.3
191.05559	0.8
216.39519	0.2
287.08163	0.3
339.25363	0.3
369.13562	0.3
369.23120	0.6
399.24036	1.0
441.25275	1.2
501.30609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45873	0.7
51.40714	0.6
55.47913	0.6
59.01235	1.1
61.98701	100.0
69.75923	0.5
76.35010	0.6
78.95775	0.7
98.20632	1.7
121.02899	1.0
129.64703	0.7
131.33220	0.6
190.98949	0.7
215.06915	0.7
230.34099	0.8
305.24930	2.1
322.62860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	83.8
58.03654	1.4
59.01250	100.0
60.01597	1.2
61.98706	2.0
67.20378	0.4
69.86845	2.8
71.01259	5.1
73.02820	2.1
73.03228	0.5
76.92216	0.5
81.03323	2.7
83.01287	1.0
83.04912	0.6
85.02806	1.7
86.60335	0.5
89.02309	1.2
95.01258	0.9
99.04397	76.6
100.04734	2.2
101.02321	14.9
113.02328	2.7
116.92735	0.6
119.03408	0.6
125.02341	24.4
126.02673	1.0
135.04388	0.9
143.03368	1.3
149.04431	0.8
159.02765	0.5
161.02347	1.1
161.04391	1.4
171.08052	1.0
179.03362	0.9
183.04395	0.5
184.05203	0.7
187.03873	0.6
199.07562	1.5
212.04646	0.9
213.05487	0.8
227.03383	0.7
227.07014	2.2
228.07637	0.9
255.02977	0.6
284.03244	0.9
315.17960	1.4
325.14337	2.3
357.18915	1.2
369.13486	3.9
369.22668	1.5
370.13565	0.5
425.07532	0.6
450.98538	0.6
501.30823	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	501.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
69.03342	0.5
70.81178	1.0
71.01239	0.6
81.91397	0.4
95.01275	1.0
95.04871	0.6
97.02835	1.1
97.06466	90.8
98.06796	2.2
99.27330	0.5
107.04900	0.5
107.18076	0.5
114.51244	0.5
121.02837	0.8
149.04497	1.8
151.03926	4.7
153.05475	4.3
181.04987	83.0
182.05316	3.8
185.05991	1.0
187.03391	0.5
189.05542	1.2
195.06505	0.6
196.07349	69.2
197.07674	4.2
211.09703	100.0
212.10063	6.2
228.07907	1.5
246.75851	0.5
259.10010	0.8
274.11954	0.6
289.14368	2.4
325.14474	2.0
378.69473	0.5
380.12128	0.6
391.89087	0.5
403.17303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.4
61.98699	1.1
69.94299	0.3
70.52604	0.7
70.52972	0.6
70.92787	0.3
71.01260	3.0
71.01598	0.4
72.99207	0.4
73.02819	0.6
76.61411	0.3
78.95776	0.3
85.02840	1.4
89.02303	1.4
93.03333	0.5
95.01255	0.6
98.19855	0.3
99.00771	0.3
99.92456	1.8
101.02312	2.0
113.02354	0.9
115.85669	0.3
115.91962	4.4
116.92746	18.7
117.92778	1.1
119.03470	0.6
119.04891	1.5
133.02876	0.8
135.04446	0.6
149.04431	0.5
161.02391	0.6
161.04520	0.5
163.03947	1.1
173.04524	0.5
175.02496	0.3
191.05518	1.5
219.67383	0.3
223.05945	0.3
231.06508	0.3
325.14532	0.4
369.13956	0.3
369.22934	1.2
397.09705	0.7
399.23669	0.3
415.10666	1.1
441.25009	0.4
457.11929	0.8
460.70056	0.3
465.08826	0.5
501.10864	2.3
501.30975	0.4
502.10986	0.6
515.49011	0.4
523.51489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72602	0.4
55.01757	0.9
57.03319	2.2
58.00467	0.8
58.47801	0.4
59.01250	39.2
61.98694	2.4
64.89275	0.4
69.03331	1.1
69.88914	0.4
71.00851	0.9
71.01254	21.8
72.99190	1.3
73.02820	23.5
75.00755	0.6
75.28176	0.4
77.34403	0.4
77.84436	0.4
78.95779	1.0
83.01260	5.5
83.04896	0.5
85.02824	3.4
87.00758	3.5
88.98685	1.0
89.00544	1.9
89.02315	27.0
93.03322	0.9
95.01260	0.6
97.02824	0.6
98.98961	0.4
99.00764	1.9
99.04410	0.6
101.02323	24.8
102.02663	0.5
103.03890	1.9
113.02335	6.7
113.14827	0.4
115.00240	1.3
118.97971	0.5
119.03387	4.9
121.02872	0.5
125.02330	1.0
127.95514	0.5
131.03397	9.4
134.87953	0.4
135.04413	1.1
135.11665	0.8
142.40605	0.4
142.97978	0.7
143.03369	2.5
149.04460	100.0
150.04787	2.5
155.03410	0.7
160.63153	0.4
161.02362	1.0
161.04465	7.3
161.09729	0.6
164.04625	0.4
167.41997	0.4
173.04457	2.3
176.98497	0.5
177.01880	0.8
179.00098	3.3
179.03389	0.6
179.05576	0.7
179.10687	6.0
189.12746	0.7
191.05540	7.5
191.07167	0.7
192.05965	0.6
194.99590	0.7
203.05583	1.3
205.08609	0.4
221.06578	2.4
223.09732	4.6
271.02762	0.7
277.10773	0.6
283.12018	1.9
295.11890	1.0
299.01990	1.0
300.02753	0.7
325.12842	3.6
385.15131	1.1
457.17081	1.3
501.14975	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	501.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03326	2.9
58.00466	1.2
59.01249	100.0
61.98702	0.7
69.03352	0.9
71.01253	38.4
72.99182	1.8
73.02818	11.7
75.00715	0.8
83.01250	3.6
85.02827	4.6
87.00743	3.6
89.02316	56.6
90.02611	0.9
90.98502	0.7
93.03343	0.9
95.01283	1.5
97.02826	0.8
99.04379	0.7
101.02319	22.9
103.03907	0.9
107.04915	1.3
109.02870	1.3
110.82355	0.6
111.00775	0.7
113.02337	13.5
113.03095	1.3
115.00266	1.4
119.03389	17.3
121.06464	1.1
125.02422	0.9
128.15526	0.8
131.03409	6.9
143.03363	4.4
147.08102	3.4
149.04457	67.4
150.04832	1.8
159.08177	0.9
161.04453	6.6
165.09261	0.8
175.11237	0.7
179.00166	1.8
179.03833	1.3
179.05533	16.2
179.10733	4.2
180.11162	0.8
191.05524	5.4
191.07002	1.0
217.12364	2.9
221.06691	0.6
223.09711	7.2
235.13657	0.8
261.11285	14.8
262.11716	1.6
283.12012	1.7
295.11792	0.9
313.29507	0.8
325.13013	1.3
385.15320	0.9
430.82465	0.7
446.95856	0.7
501.16025	1.1
506.87149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
57.94513	0.4
58.00475	0.6
58.25045	0.4
59.01252	29.6
60.01574	0.4
63.22078	0.4
69.03344	0.6
71.01255	12.6
71.27084	0.6
71.27441	0.4
72.99197	0.7
73.02821	19.9
82.19791	0.4
83.01262	4.0
83.84879	0.4
85.02834	1.2
87.00757	2.1
89.02318	30.1
90.98493	0.9
99.04428	0.4
101.02328	17.1
103.00292	0.4
103.03899	1.6
106.17480	0.5
113.02331	3.7
119.03413	3.8
123.66526	0.4
125.02316	0.5
131.03389	8.0
131.04295	0.7
132.03764	0.5
143.03403	1.5
149.04462	100.0
150.04823	2.1
161.04471	4.2
179.05505	1.8
179.10660	1.0
211.73845	0.4
216.24469	0.5
221.06665	0.7
223.09663	1.1
261.11334	1.4
283.11935	1.0
325.12726	0.9
501.16150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.0
61.98704	1.8
69.03333	0.5
71.01258	5.0
71.50800	0.5
71.51205	0.3
72.99205	0.5
73.02818	3.7
83.01274	1.5
83.04910	0.5
85.02847	1.6
87.00768	0.9
89.02319	2.1
93.03358	1.2
95.01259	0.5
96.95898	0.4
97.06490	0.4
99.04389	0.4
101.02332	4.9
103.03909	0.4
113.02332	3.2
119.03416	1.8
121.02916	0.4
125.02405	0.6
131.03424	0.7
135.04451	1.0
143.03439	1.0
149.04466	1.3
155.03496	0.4
161.04526	1.3
173.04543	1.1
179.03497	0.6
191.05527	4.6
191.06914	0.4
203.05327	0.4
218.70509	0.4
221.06610	0.5
275.45599	0.4
294.06131	0.4
324.13257	0.4
367.11877	0.7
439.23254	0.5
441.52985	0.4
499.20129	0.7
499.27188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09584	28.2
59.01247	100.0
71.50245	33.8
78.95753	31.1
83.04910	23.6
100.40274	24.4
104.29272	27.0
133.74464	25.6
149.80920	26.4
183.95103	27.8
190.32312	26.5
277.21738	84.6
291.23337	56.4
305.90292	27.2
499.30539	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	499.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.3
58.52182	6.3
59.01258	93.8
60.41754	5.1
70.70621	18.2
71.01257	15.9
87.37502	5.4
89.02331	7.3
113.02334	7.7
114.69859	7.2
124.01431	5.3
160.44867	5.8
263.23648	7.0
277.21741	100.0
278.22125	13.3
291.23318	35.7
301.21588	9.4
319.22900	10.9
463.41330	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	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33817	1.0
59.01254	100.0
59.94522	1.1
66.49515	1.0
67.26558	0.9
68.17978	1.1
71.49944	1.6
71.50301	1.1
83.04904	1.0
152.90742	1.3
249.12508	1.2
277.21646	1.3
305.17581	1.3
365.26840	7.2
499.30591	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	500.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.0
61.98701	0.6
69.43628	4.7
71.01251	1.5
74.10860	0.5
79.29088	0.5
85.02836	0.7
93.03352	0.6
101.02313	0.9
103.98779	0.6
119.04887	0.9
144.85573	0.6
173.04494	1.2
191.05505	2.0
221.04721	0.9
249.04295	82.6
250.04630	7.2
252.50664	0.7
264.06656	100.0
265.04279	1.0
265.06976	7.8
279.05444	1.5
280.05911	1.2
294.07785	8.4
295.07938	1.0
327.08615	1.2
338.06796	6.2
366.43817	0.6
380.18015	0.7
428.24356	0.7
465.23398	1.6
466.06598	0.6
498.29199	0.7
500.12027	4.5
501.21201	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	500.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.6
68.47874	1.1
69.30907	6.9
69.31339	4.1
71.01250	14.1
72.99179	52.8
73.02789	1.2
75.00730	2.2
85.02814	5.0
86.21889	1.2
87.00760	2.8
89.02315	9.8
92.20669	1.1
95.01219	1.4
98.02343	14.5
101.02347	8.5
102.67822	1.6
109.02798	1.5
113.02318	4.6
119.03381	5.1
121.06438	1.4
161.04437	2.9
168.06578	2.2
177.01888	2.1
179.05574	1.8
191.05457	2.6
500.21350	100.0
501.21609	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	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45937	0.6
55.01756	3.1
57.03321	3.4
59.01250	100.0
60.01580	0.8
61.98695	1.2
62.89099	0.5
68.99708	0.7
69.03322	1.3
69.22621	3.4
69.23051	2.7
71.01255	19.5
72.01619	0.8
72.99182	2.4
73.02818	34.0
74.03161	0.7
75.00750	1.9
75.42535	0.5
78.29839	0.6
80.31908	0.5
81.03331	1.3
83.01266	2.0
85.02821	6.7
87.00761	2.4
89.02326	4.5
91.98996	0.6
93.03338	2.2
95.01261	1.2
97.02844	3.4
98.19759	1.0
99.00751	8.6
99.04395	2.9
101.02324	20.7
107.04906	2.7
109.02832	0.9
111.00758	1.2
111.04409	1.7
113.02322	3.9
115.03893	2.4
119.03411	0.6
121.02855	2.1
125.02316	6.2
127.03874	0.6
129.01859	1.5
131.03403	2.7
135.04401	0.6
137.02280	1.0
139.03934	1.5
143.03395	1.2
147.04414	0.9
148.05200	74.1
149.02347	1.7
149.04546	0.6
149.05513	4.0
151.03886	0.6
155.03430	0.9
161.04488	2.7
163.07558	40.9
164.07883	2.1
165.01819	0.8
173.04454	4.4
176.61957	0.6
191.05550	9.2
197.04356	0.9
215.05463	0.6
233.06601	10.8
275.07718	96.6
276.08002	6.4
293.08774	17.7
293.12122	1.1
294.09055	1.3
312.27936	0.6
335.09808	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	499.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08993	0.9
55.86197	1.0
57.03323	100.0
58.03656	1.6
59.01250	92.4
61.51461	1.1
61.98684	1.2
67.01750	1.3
69.40614	3.2
69.41041	3.9
71.01258	6.1
73.02824	1.6
78.95785	2.5
81.03331	2.7
83.01250	1.1
85.02848	4.6
85.13573	0.9
87.00755	2.2
89.02322	1.7
93.03347	5.5
96.53144	0.9
96.96815	2.4
97.05422	0.8
99.04396	81.7
100.04784	2.1
101.02325	14.9
109.02847	1.9
111.04430	1.5
113.02341	1.8
122.15731	0.9
125.02329	35.2
134.03601	1.3
135.04422	1.8
136.01521	1.1
137.02296	1.3
155.03372	1.5
161.02347	1.4
161.04501	2.0
173.04480	14.8
177.33998	0.9
187.07536	2.0
191.05547	32.8
269.10156	2.1
307.11615	1.1
311.11517	1.1
332.48233	1.0
402.20148	1.1
467.15485	1.2
481.16983	1.6
499.18472	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54009	0.2
55.42102	0.2
57.03319	0.2
59.01246	2.9
59.72477	0.2
60.99173	0.2
61.98681	0.5
67.01760	0.7
69.03327	0.4
69.37178	2.1
71.01245	2.0
72.99174	0.7
73.02809	0.7
81.03320	0.3
83.04900	0.8
85.02818	9.5
86.03190	0.3
87.00751	2.8
89.02328	0.5
93.03329	5.2
96.95848	0.2
99.04401	0.5
101.02304	0.4
109.02829	1.4
111.00834	0.3
111.04411	1.7
113.02359	0.5
119.04907	0.2
121.02828	0.8
125.02310	0.4
127.03890	2.4
129.01830	0.3
134.03630	2.3
135.04417	0.8
136.01582	0.3
137.02281	0.7
147.04320	0.2
149.04417	0.3
153.01830	0.5
155.03377	0.5
159.04471	0.5
161.09663	0.3
162.06415	0.2
171.02858	0.7
172.05205	0.3
173.04485	6.6
173.05937	0.7
174.04790	0.4
175.03908	0.3
187.03978	1.9
187.07553	5.7
188.07965	0.4
191.05534	100.0
192.05878	4.1
201.05536	0.5
201.09129	0.3
202.06273	4.5
203.06744	0.3
205.08559	0.7
207.06511	0.3
213.09140	0.6
215.06958	1.1
219.10194	0.3
223.20218	0.2
231.10236	2.7
235.06064	0.2
245.11839	0.3
250.08551	0.2
251.09433	0.3
263.09067	0.3
263.12933	1.7
275.09274	2.1
289.10773	1.2
307.11807	3.9
308.12350	0.3
325.12811	1.3
341.95404	0.3
452.33371	0.3
463.21909	0.3
467.15228	0.3
481.17200	3.9
482.17535	0.7
499.18564	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	497.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70058	0.3
52.88787	0.3
53.76615	0.3
57.03326	0.6
59.01249	100.0
60.01585	0.9
61.98699	2.9
67.01749	0.3
69.03342	0.4
71.01256	2.3
71.50658	0.5
72.99185	0.9
73.02827	1.9
83.01263	0.7
85.02795	1.7
87.00746	1.5
89.02332	1.0
93.03323	1.6
97.06469	0.5
101.02330	1.9
113.02357	1.6
114.56481	0.4
117.01820	0.4
119.03372	0.4
123.04395	0.4
125.02354	0.5
126.70717	0.3
131.03465	0.6
133.02847	0.3
134.03694	0.5
135.04439	0.7
137.02266	0.3
151.00310	0.3
157.03030	2.4
161.02380	0.5
161.04480	0.5
163.11194	1.2
173.04475	1.5
175.04109	0.6
179.03377	1.0
181.12283	0.7
184.63469	0.3
191.05560	4.1
193.04941	0.4
213.05666	0.4
214.24660	0.3
225.11276	2.2
227.07088	0.4
271.06314	1.3
291.18283	0.4
313.45526	0.3
320.46356	0.3
348.65646	0.3
356.64658	0.3
365.14417	0.4
371.35190	0.4
452.17633	0.3
497.18393	15.8
497.38669	0.3
498.18582	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01760	1.1
57.03313	1.1
58.00472	0.7
59.01257	60.2
60.00202	0.7
60.01581	0.8
61.98690	2.1
63.97203	0.7
69.03326	1.4
69.29191	0.5
71.01260	37.5
72.99187	1.4
73.02824	36.3
73.69783	0.6
74.03147	0.7
78.95784	1.7
81.03331	1.0
83.01260	9.8
84.50022	0.6
85.02830	5.8
87.00751	2.0
87.71311	0.7
89.02331	8.2
95.01266	1.2
97.02815	1.3
99.00782	1.6
101.02330	28.7
104.83360	0.6
113.02338	9.0
114.21252	0.6
119.03402	2.5
125.02320	1.8
131.03392	1.5
133.77075	0.6
143.03395	1.4
149.04457	1.4
151.11195	0.9
152.99501	1.9
153.82262	0.6
155.03368	0.8
161.04482	3.4
165.12766	1.0
167.03316	0.6
169.12247	0.8
183.13857	0.7
191.05539	1.5
223.13356	1.2
226.52826	0.7
227.12930	0.7
229.43315	0.7
231.21153	0.8
275.20163	18.0
276.20428	1.5
277.21780	2.1
289.48752	0.7
293.21237	23.5
294.21555	2.2
302.92282	0.6
387.15723	0.9
437.25571	10.7
438.25507	1.6
455.26556	18.7
456.26761	3.2
497.27621	100.0
498.27933	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	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04448	0.5
57.03324	3.0
59.01247	100.0
60.01580	1.6
61.98700	3.3
62.97576	0.4
67.19484	0.4
69.98153	2.4
71.01257	1.9
73.02822	2.1
73.09319	0.5
78.95783	1.6
85.02837	1.4
87.00758	2.0
87.04375	0.8
89.02322	2.0
93.03346	0.8
101.02307	1.5
103.03886	62.6
104.04235	2.0
106.24915	0.5
113.02339	1.1
131.03400	0.9
133.02840	0.5
134.04625	4.3
135.04384	1.0
149.04451	4.7
157.03030	4.1
159.08034	1.0
161.02344	0.5
161.04489	0.6
161.06026	0.6
161.09663	2.6
164.02608	0.5
173.04544	0.6
175.04066	0.7
179.03377	0.7
179.10677	1.5
191.05511	1.0
213.05583	0.8
271.06134	2.2
277.16467	0.7
289.16846	0.5
327.21747	0.4
342.56549	0.5
349.18536	0.8
364.17694	1.1
435.22235	0.6
495.16830	22.3
496.17093	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	496.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23101	0.4
52.86457	0.3
59.01251	3.2
61.98703	100.0
64.37141	0.3
69.73644	1.4
69.74060	0.6
71.01272	0.9
73.02808	0.6
85.02818	0.4
87.00794	0.4
89.02330	0.4
101.02326	0.5
135.04446	0.6
144.94844	0.3
173.04530	0.7
191.05598	1.3
212.60579	0.4
269.12997	0.8
270.13562	0.9
290.06848	0.4
445.40738	0.4
453.17917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52069	2.7
59.01250	100.0
59.66744	2.4
60.48793	2.5
61.10022	3.0
61.98707	16.2
68.68185	2.9
71.01261	28.7
72.99161	3.7
73.02824	23.8
78.95762	3.5
83.01270	3.5
85.02829	16.2
87.00742	5.3
89.02314	16.9
90.81561	3.1
93.03314	5.7
95.01254	6.5
97.06477	3.9
99.00716	3.7
101.02327	30.3
111.00780	4.1
113.02339	33.0
119.03397	18.3
131.03432	4.6
133.02678	3.3
134.03638	38.1
134.85875	2.6
135.04398	9.6
143.03387	6.6
149.04443	4.4
151.00320	3.3
151.03888	12.6
152.99484	3.9
161.02353	6.1
161.04437	11.2
171.10130	7.3
173.04451	6.5
179.03357	7.6
191.05495	23.6
221.06552	7.5
227.88481	3.2
329.23114	8.7
356.11020	8.1
411.17224	4.1
460.89813	3.2
497.18021	4.1
497.25549	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	497.1838
Annotation	3,11-Dihydroxy-staurosporine
Peak:m/z	Relative Intensity
55.01759	0.4
57.03316	0.6
59.01251	19.3
59.11190	0.3
61.98698	4.2
69.03325	3.9
71.01254	3.3
71.50172	0.3
71.50497	0.5
73.02819	7.3
78.95777	11.9
83.01239	0.5
85.02814	1.5
87.00746	2.8
87.04398	0.7
89.02300	1.1
93.03332	0.7
95.04897	2.0
96.95875	0.4
96.96835	1.0
99.02459	0.6
101.02338	2.0
107.04937	0.4
109.06476	0.8
111.04410	0.4
113.00449	0.4
113.02345	4.3
113.04042	1.2
115.01952	1.5
119.03453	0.3
119.54231	0.3
131.03442	0.8
135.04428	0.5
136.89700	0.3
137.02376	0.4
145.10112	0.8
150.97910	0.3
152.99487	22.1
153.99809	0.3
154.55450	0.3
156.03409	0.7
157.03044	16.6
158.03464	0.5
163.11201	11.2
164.11545	1.2
164.27594	0.3
171.00566	0.8
173.04469	0.7
175.04050	0.7
179.03418	0.5
181.12262	30.3
182.12616	2.6
187.07558	0.5
191.05545	2.2
207.10144	2.1
211.13161	0.4
213.05675	0.4
225.11337	2.2
227.07202	0.5
232.65382	0.3
243.06650	0.4
251.10822	0.5
271.06149	2.4
286.08508	0.4
365.14056	4.7
366.14487	0.4
455.26382	0.9
497.18411	100.0
498.18744	12.6
498.25876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.4
59.01250	76.2
59.55020	0.3
60.01583	1.1
61.98701	2.0
71.01256	2.1
71.30621	0.4
71.30943	0.4
73.02820	1.6
74.98985	0.7
78.95785	0.3
83.01267	0.7
85.02834	1.9
87.04391	8.3
89.02309	1.1
99.00759	0.7
101.02325	2.2
103.03891	100.0
104.04203	2.3
111.00778	2.2
113.02348	1.0
125.02380	0.4
133.02832	0.5
135.04416	0.6
137.29877	0.3
142.99771	0.5
153.01735	0.3
154.99779	1.7
160.80385	0.3
161.02327	0.7
173.00815	1.1
173.04532	0.3
173.91289	0.3
177.01805	0.3
179.03383	0.6
191.05502	1.0
192.04048	0.5
206.22025	0.4
222.10512	0.3
307.17542	0.9
349.18515	1.1
395.36444	0.4
405.11789	0.8
435.22412	0.4
495.15930	3.4
496.18097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1682
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
55.42648	0.4
57.03309	0.6
59.01255	9.8
60.01599	0.4
60.07833	0.4
61.98703	6.8
69.03327	2.5
71.01270	2.3
73.02829	3.3
78.95782	1.3
83.04891	0.6
85.02821	0.9
87.00755	1.9
87.04377	0.6
89.02324	1.5
93.03345	0.5
95.18470	0.4
99.02465	0.6
101.02343	1.9
111.00753	0.4
113.02325	2.5
113.04002	0.7
115.01992	1.2
117.83171	0.4
119.03405	1.6
124.70364	0.4
126.96840	0.4
131.03438	0.7
133.02870	0.5
134.03639	0.5
134.87169	0.4
135.02898	0.8
135.04349	0.7
135.11757	1.0
149.04353	0.4
150.06775	0.9
152.99435	0.8
156.03406	0.6
157.03053	12.4
159.08038	1.8
161.02327	0.5
161.09636	7.6
162.10016	0.5
165.73260	0.4
173.04483	0.7
175.04007	1.3
179.03496	0.6
179.05487	0.6
179.10709	18.6
180.11043	1.4
181.12256	1.2
187.07596	0.4
191.05537	1.9
218.09612	1.1
223.09680	1.6
271.06284	0.7
307.65521	0.4
321.13089	0.5
363.12796	1.4
495.16864	100.0
496.17386	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	495.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55793	0.4
57.03332	1.2
59.01249	6.3
61.98715	1.2
63.02253	2.0
65.00189	11.9
66.95460	0.3
70.31493	1.4
71.01260	0.9
73.02793	0.5
78.95833	0.6
80.02547	2.2
83.01258	5.4
85.02854	1.1
86.25832	0.4
89.02293	0.6
89.60668	0.4
91.05394	0.4
93.03341	1.2
95.01290	0.9
98.33372	0.5
105.03389	0.5
107.01269	16.2
107.04905	0.9
108.02072	8.5
108.16164	0.3
109.02882	0.4
111.00774	0.7
119.04879	0.8
121.02856	0.8
123.00768	1.4
123.04330	0.4
124.01569	1.6
125.02327	6.4
129.45421	0.4
131.04939	0.6
132.02089	1.0
133.02884	3.0
134.03635	10.4
134.04643	0.6
135.04410	42.6
136.01569	7.0
136.04758	1.9
137.02289	0.7
143.04935	1.1
145.02818	1.4
146.03644	0.8
147.04405	2.9
149.02332	1.1
151.00267	46.9
152.00807	1.5
153.01932	0.4
155.04892	3.9
158.03674	0.5
159.04430	1.5
160.01550	2.0
161.02345	5.8
161.05942	0.8
163.00304	0.7
164.01048	13.0
164.04639	1.9
165.01796	2.8
169.01347	1.0
169.06519	1.2
171.04395	2.4
172.04987	0.6
173.02351	1.8
173.04504	0.8
173.05956	1.0
174.03149	6.3
175.03929	6.0
176.01015	0.4
176.04700	2.6
177.01828	2.5
179.03419	3.9
179.07066	2.3
185.02353	1.2
185.05977	2.3
187.03922	3.1
188.04642	1.2
189.05501	2.9
191.05542	1.9
191.07057	1.1
192.04282	0.5
194.05771	3.4
195.04457	0.9
195.06450	0.6
196.00067	12.6
196.05087	0.5
197.06000	2.1
198.03035	2.2
199.03932	25.2
200.04413	1.8
201.01848	5.8
201.05569	0.7
207.06425	0.6
209.08133	5.3
209.11703	0.8
211.03908	1.2
211.13383	1.0
212.04576	0.4
213.05521	3.4
214.05923	0.5
215.03438	6.3
216.04117	1.2
217.05029	4.4
223.04005	0.8
224.04568	0.5
227.03580	0.8
229.05035	1.5
239.03441	1.8
240.04266	1.3
241.05008	9.5
242.05696	2.7
243.02927	1.3
243.06419	0.9
255.06546	0.8
257.04517	11.5
258.05173	2.7
268.03848	0.7
273.16840	0.4
285.04028	100.0
286.04654	23.0
287.05563	4.3
289.21674	0.5
299.05466	1.0
299.12900	0.5
301.07129	3.8
333.20798	0.5
343.11725	0.7
369.09570	1.8
399.14508	0.4
465.11880	7.3
466.12335	1.3
477.11777	5.5
478.12088	1.1
495.12866	18.1
496.13181	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	495.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.8
61.98706	3.2
62.96281	0.8
63.02262	1.8
65.00192	11.8
69.17278	1.6
69.17617	9.2
71.01263	1.9
80.02546	1.5
83.01267	3.7
85.02832	1.1
93.03336	1.9
95.01266	1.4
98.20589	1.8
107.01273	14.4
108.02069	8.4
113.02328	0.8
119.03329	0.8
121.02845	1.5
124.01582	1.7
125.02322	6.6
131.04947	1.0
131.62935	0.8
132.02132	0.9
133.02852	2.5
134.03633	8.1
135.04422	35.6
136.01584	6.1
136.04735	1.5
140.94949	0.8
143.04900	0.8
146.03574	1.1
147.04413	2.3
149.02357	2.2
151.00284	41.9
152.00819	1.2
155.04956	5.0
159.04445	1.3
160.01604	2.1
161.02415	5.0
164.01076	11.6
164.04750	1.6
165.01811	2.6
171.04399	3.0
173.02380	1.1
173.04491	1.5
173.05922	1.1
174.03136	6.7
175.03905	6.2
176.04662	1.8
177.01869	3.2
179.03474	4.2
179.07069	2.7
185.02383	1.3
185.06027	2.3
187.03925	3.4
189.05464	2.5
191.05530	3.0
191.07098	1.0
194.05779	4.0
196.00067	13.9
197.06027	1.7
198.03127	2.8
199.03929	23.4
200.04337	1.9
201.01907	6.4
201.05486	1.4
209.08185	4.5
211.03867	1.6
213.05547	3.6
215.03435	4.0
217.04991	4.9
229.04990	1.2
230.05614	0.9
240.04187	0.9
241.05014	9.3
242.05794	3.2
243.02959	0.9
247.95430	0.8
257.04510	12.2
258.05203	3.3
268.03748	1.1
285.04037	100.0
286.04678	24.4
287.05566	3.8
301.07040	2.8
343.11713	1.1
369.09912	1.0
465.11865	10.8
466.12314	1.8
477.11807	6.2
495.12906	18.4
496.13434	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	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03336	1.0
58.00493	0.9
59.00958	1.1
59.01255	20.6
61.98708	1.4
70.14983	0.5
71.01258	14.2
72.99179	1.1
73.02827	5.3
83.01238	2.9
85.02827	6.8
87.00751	1.5
89.02324	4.9
93.03331	0.6
95.01260	1.2
98.90309	0.6
99.00748	1.6
101.02328	9.7
101.76736	0.5
111.00769	1.0
113.02327	4.4
119.03409	1.9
125.02357	0.8
125.03173	0.6
149.04434	0.8
161.04488	1.6
163.77339	0.6
168.36440	0.6
179.05597	1.0
179.07094	0.7
181.12254	1.3
183.10216	0.6
191.05568	1.2
196.47353	0.6
199.13342	6.5
200.13683	0.7
271.19174	1.1
278.90555	0.7
343.17825	0.8
361.18683	100.0
362.19052	9.6
390.79050	0.7
433.24316	2.0
434.25021	0.7
493.22910	17.8
494.23154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79499	0.4
55.01764	1.1
57.03317	0.9
58.95147	0.5
59.01249	100.0
60.01578	1.5
60.60582	0.4
61.77620	0.5
61.98377	0.6
61.98704	5.9
67.01743	0.6
69.43784	2.1
69.44208	1.7
71.01256	5.0
72.00796	0.7
72.99178	0.7
73.02819	2.1
74.98978	1.8
75.00742	1.2
79.86436	0.4
83.01262	0.5
85.02820	2.6
87.00771	1.7
89.02335	3.4
93.03336	2.2
93.87816	0.4
96.00806	1.9
98.02342	2.3
98.20574	0.4
99.00773	0.7
101.02309	3.4
110.02372	3.1
111.00757	0.5
111.08040	0.5
113.02353	2.0
113.03484	1.1
113.15987	0.4
118.06496	2.3
119.03417	1.3
123.04363	0.7
125.02346	1.6
131.03423	0.6
131.04480	0.6
131.08180	1.2
134.03662	0.5
135.04422	1.3
136.99059	1.7
137.02328	0.8
137.09639	0.5
139.11220	1.8
140.11626	0.5
145.02806	0.5
147.04469	1.7
149.04494	1.7
155.03358	0.7
155.08171	1.1
155.10712	2.2
161.02400	1.2
161.04440	1.2
163.03937	0.6
164.07083	3.0
168.06807	0.5
169.09801	0.8
171.10286	1.1
173.04535	2.0
177.01917	1.2
179.03339	0.8
181.12311	1.5
183.10127	2.7
191.05531	7.3
199.09732	1.9
199.13315	0.7
201.11298	1.7
205.04938	0.5
209.11766	0.8
225.11328	0.9
231.14996	1.8
235.17006	0.7
243.12325	4.8
253.18077	1.4
259.14624	0.5
260.68231	0.4
271.19180	1.4
277.15549	1.1
278.16287	0.4
331.14200	0.5
345.22797	4.7
358.03677	0.5
361.14993	1.5
361.18677	3.0
361.22522	4.3
362.19186	0.6
370.17990	0.5
373.22519	1.4
391.23532	2.1
414.16705	9.1
415.17108	1.0
431.19498	0.9
433.24438	3.4
434.24963	0.7
440.18179	0.6
458.19403	4.3
467.15616	2.1
475.22198	2.1
493.13300	0.6
493.27481	3.6
494.27380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
59.01252	32.7
59.48960	0.8
60.01583	3.5
61.01676	1.5
61.98700	5.0
65.67491	0.9
69.03316	1.4
69.24582	8.5
71.01250	28.6
72.99195	1.3
73.02818	20.7
74.03160	1.4
81.03298	2.1
83.01266	4.6
85.02827	4.9
87.04406	1.8
89.02325	3.9
95.01278	2.6
95.24841	1.0
97.02837	7.2
98.20593	2.2
99.04358	1.2
101.02332	25.0
102.02671	2.8
103.02746	1.2
113.02335	13.3
115.03918	2.0
119.03419	1.3
120.99600	1.3
125.02318	1.7
131.03381	7.9
135.08040	5.2
137.09624	21.5
143.03418	4.6
149.02295	1.0
149.04454	1.7
155.10681	100.0
156.11029	5.9
161.04485	13.4
163.05038	1.6
173.04619	1.0
173.08165	1.3
179.49648	1.0
181.08617	22.7
182.08969	1.6
185.29387	1.0
199.09697	94.7
200.10036	6.6
253.10776	15.8
254.11333	1.1
271.11816	9.7
331.13971	23.7
332.14432	1.7
361.14984	6.4
403.16110	9.6
404.16721	1.2
433.23755	1.5
493.19281	43.3
493.25827	8.0
494.19916	6.1
494.26135	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	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03328	2.8
57.83401	0.8
59.01254	77.2
60.01592	1.7
61.98703	13.3
64.34793	0.8
69.03321	0.9
71.01251	12.8
71.49952	1.1
72.99178	1.3
73.02821	9.2
75.00771	1.3
82.20370	0.8
83.01265	2.1
85.02834	4.9
87.00774	2.6
87.04360	1.2
89.02310	9.6
93.03363	5.0
99.00771	1.2
99.04401	1.0
101.02344	8.6
113.02342	4.3
116.92723	1.6
117.01798	1.0
119.03413	2.4
123.04327	0.9
125.09658	0.9
131.03407	1.7
134.03610	1.2
135.04436	1.5
139.11195	31.3
140.11568	1.5
143.03439	1.3
149.04468	3.3
155.10690	1.5
159.02856	1.0
161.04480	2.9
162.05566	2.7
163.03970	1.2
163.11200	2.6
165.09207	1.1
171.10106	1.2
173.04427	2.1
179.05573	2.1
181.12253	18.6
183.10197	38.9
184.10498	2.0
191.05540	8.3
199.09697	1.1
199.13341	8.8
200.13646	1.0
207.10129	1.3
225.11287	15.6
243.12363	65.6
244.12738	3.4
317.15048	2.1
343.17551	4.6
345.22739	2.1
361.14801	20.3
361.18686	100.0
362.15182	2.7
362.19043	9.3
375.16644	2.0
391.23312	1.2
433.24380	6.7
467.15463	2.5
493.22803	18.7
494.23273	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
57.03316	2.0
57.90629	0.6
58.00473	1.7
58.20152	0.6
59.01247	36.7
59.98393	0.7
64.09983	0.7
65.51392	0.6
69.03342	0.7
71.01252	26.7
71.04897	2.0
71.06750	1.1
71.07063	0.9
72.99179	100.0
73.02821	2.7
73.99535	0.9
75.00758	2.7
81.03325	10.1
83.01263	2.4
83.04892	0.9
84.02036	2.0
85.02813	7.5
86.11529	0.7
86.90855	0.6
87.00761	2.1
89.02318	31.0
90.02676	0.8
95.01263	2.4
97.29740	0.7
99.00754	1.0
99.04393	10.2
99.14498	0.8
101.02321	21.9
113.02332	13.1
119.03391	14.5
121.06467	1.7
125.02352	1.3
127.07491	0.9
130.12619	0.7
131.03407	1.4
143.03430	2.8
149.04480	1.1
159.02846	0.9
161.04483	3.3
168.32208	0.6
179.05524	2.9
191.05544	2.1
191.10744	1.5
227.43861	0.8
228.58076	0.8
239.12907	1.4
307.53302	0.8
328.13446	0.8
361.44437	0.8
445.19193	0.7
447.22025	0.8
475.18317	3.1
493.19290	23.9
494.19501	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42945	0.7
59.01253	17.6
59.54894	0.7
61.98689	0.9
69.03304	1.1
69.22189	5.0
69.22616	1.7
71.01254	14.0
72.71758	0.7
72.99189	0.9
73.02819	11.8
75.00713	0.8
81.03321	0.8
83.01245	2.6
83.04902	0.9
85.02836	3.6
87.00757	1.4
89.02334	3.6
90.13245	0.7
93.03358	0.8
95.01266	2.4
97.02828	7.7
101.02328	12.7
109.02838	0.9
113.02345	9.7
115.03883	2.1
123.04416	1.2
124.03913	1.7
125.02351	1.3
131.03392	1.1
133.02809	1.7
135.04379	1.7
135.08067	1.8
137.09621	11.5
139.11176	4.1
143.03392	2.2
149.04413	1.6
151.03995	0.8
155.10683	100.0
156.10997	5.2
161.02359	3.5
161.04404	4.2
173.04498	1.7
176.03433	1.8
177.01855	4.8
181.08620	4.1
181.12273	2.6
183.10193	4.9
184.10553	0.9
199.09686	61.8
200.10027	3.5
201.11244	2.0
212.48093	0.9
225.72334	0.8
241.10779	0.8
243.12306	7.6
253.10741	1.3
271.11893	1.2
297.52100	0.8
331.13928	17.7
332.14233	0.9
361.10712	1.5
361.14789	4.7
361.22147	4.1
375.16693	1.8
403.16342	1.3
493.13211	1.9
493.19348	15.5
494.19687	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	493.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01534	2.1
50.13626	1.9
55.01760	11.1
55.59952	2.1
57.03326	27.6
59.01247	100.0
60.01583	3.3
61.98703	2.6
65.00188	6.8
67.01782	2.8
68.99696	14.8
69.03310	3.5
69.73431	13.8
71.01260	17.5
72.99196	5.0
73.02827	4.3
75.00746	6.9
81.03326	2.6
83.01247	27.1
83.04861	2.9
85.02821	4.6
85.99981	3.8
87.00754	48.5
89.02320	4.0
93.03316	3.8
95.01273	8.0
95.04894	3.2
96.99187	5.3
97.02805	5.6
97.06518	3.4
98.20544	4.8
99.00763	43.2
101.02328	8.9
104.28982	2.2
107.04893	4.1
108.02039	3.0
109.02845	3.1
111.00076	3.6
111.00774	36.6
112.98694	40.8
113.02287	4.5
113.99512	14.3
114.99487	4.1
115.00259	58.0
119.03381	4.0
119.04890	3.4
120.99590	3.6
121.02801	3.5
121.06438	2.6
123.00779	9.6
123.04393	3.2
124.01477	2.4
124.98665	4.6
125.02332	5.8
125.99472	3.1
127.00264	88.2
127.03856	3.2
128.01115	5.7
129.01846	2.7
131.03391	3.0
133.02802	2.6
137.99458	11.0
139.00275	28.6
141.01830	4.6
141.11134	2.6
143.03407	9.7
145.01288	5.6
150.06732	6.3
151.00244	6.5
154.99762	87.6
156.00037	2.5
157.01350	13.3
157.06464	2.6
159.02876	7.0
161.02415	2.2
163.07509	3.0
166.99800	8.4
168.00594	5.7
169.01355	35.1
171.02899	7.9
171.08096	2.3
175.07515	2.7
177.01817	2.2
183.08127	2.6
187.02412	48.6
187.07501	3.7
188.40810	2.5
189.12784	5.5
201.05597	3.4
207.13969	3.5
216.07813	10.3
229.08655	3.1
233.11818	12.3
241.12422	3.2
259.13260	3.8
265.81473	2.6
271.13388	2.8
285.11548	2.6
287.12833	4.9
291.12262	6.4
301.14413	4.5
313.14294	4.6
319.11856	2.9
329.13803	6.7
345.13461	11.6
347.15057	7.8
355.11969	3.4
357.13437	16.7
371.11212	5.3
373.13016	23.4
374.13446	6.3
377.16092	4.1
387.14410	3.3
389.16122	8.6
401.12375	85.9
402.12857	9.8
403.13901	26.1
404.14127	2.8
411.16547	3.7
421.15015	3.5
433.15042	30.2
434.15268	4.6
449.18124	2.6
461.14563	68.5
462.14792	10.2
463.15695	3.1
465.17441	4.2
493.16992	52.8
493.23465	3.2
493.35861	3.6
494.17529	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
56.52156	0.2
58.00487	0.2
58.07920	0.1
59.00959	0.3
59.01249	4.4
69.78378	0.7
71.01253	3.8
71.28332	0.1
72.99182	0.2
73.02824	1.1
73.69561	0.1
78.95772	0.3
83.01246	0.5
85.02813	1.1
87.00740	0.6
89.02312	3.2
95.01243	0.2
97.02819	0.2
99.00752	0.2
101.02324	3.6
113.02333	1.8
117.03358	0.2
119.03369	0.7
125.02335	0.2
133.04964	0.4
143.03391	0.3
145.02831	0.5
157.04958	0.3
161.04451	1.4
178.32993	0.2
179.05493	0.5
235.08183	1.5
253.09277	12.7
254.09651	0.6
255.23273	100.0
256.23618	9.7
332.40280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.4
55.09004	0.3
59.01253	5.5
67.78070	0.3
71.00895	0.5
71.01257	4.4
71.50059	0.5
73.02821	0.9
78.95775	0.8
80.43921	0.2
83.01272	0.7
85.02815	1.1
87.00743	0.5
89.02317	2.7
95.52399	0.3
101.02325	3.9
113.02327	1.8
119.03386	0.8
133.04997	0.6
152.99559	0.4
157.04948	0.3
161.04446	1.5
179.05498	0.3
235.08224	1.2
253.09280	12.5
253.87059	0.3
254.09587	0.6
255.23277	100.0
256.23608	8.5
297.32437	0.3
383.23914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01250	6.7
61.98703	1.4
78.12551	0.5
78.95773	30.4
83.04882	0.9
96.96827	1.5
112.15749	0.5
113.09620	2.5
121.02837	1.8
125.96327	0.5
127.99449	0.5
140.01105	3.0
152.99507	4.9
171.00569	5.0
171.10173	1.7
177.12775	0.7
179.14317	1.0
195.13832	15.6
196.03690	1.7
196.14182	1.0
209.11778	4.9
214.04816	4.5
229.54092	0.6
277.21689	13.3
278.22025	1.0
295.22766	100.0
296.23096	10.2
313.07129	0.6
366.22943	0.5
418.23221	0.6
474.01688	0.6
475.26614	1.0
492.27255	39.6
493.27621	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	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74286	0.4
57.03315	1.1
59.01250	11.5
61.98686	0.5
69.03320	0.6
69.22878	4.5
71.01244	3.1
71.04896	0.9
73.02818	6.5
75.00710	0.5
76.96103	0.4
81.03333	0.8
85.02827	1.0
89.02318	1.6
95.04886	0.8
97.06469	8.6
98.68094	0.4
101.02326	1.3
109.06481	0.7
109.16718	0.4
111.08037	4.3
113.02345	0.7
123.08029	0.9
133.90245	0.4
135.04446	0.5
149.04482	1.2
161.02338	0.6
161.04500	0.9
163.11113	0.5
165.12747	15.0
166.13087	1.3
177.94826	0.4
183.13841	38.6
184.14195	2.7
185.08556	0.3
191.05518	0.8
203.86893	0.4
209.11772	9.2
210.12172	1.0
227.12843	100.0
228.13171	6.6
235.08189	0.5
257.17581	1.7
287.22336	1.1
343.24493	0.4
355.24597	0.5
359.17105	27.0
359.24216	0.8
360.17438	3.4
373.25873	3.8
431.26730	0.6
449.27618	1.8
450.27036	0.5
491.21320	25.2
491.28583	6.8
492.21640	4.0
492.28479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
56.51500	0.7
56.52491	0.7
57.03316	1.2
59.01251	100.0
60.01590	2.2
61.98704	8.7
70.62961	2.3
71.01251	14.9
73.02824	10.1
75.00755	0.8
81.03342	1.0
83.01278	3.0
83.31147	0.7
85.02826	5.3
89.02328	10.2
99.00793	2.0
101.02327	15.8
101.02936	1.2
111.08068	1.5
113.02335	4.8
119.03387	4.1
125.02350	3.6
126.02673	1.2
129.01846	0.7
129.11682	0.7
131.03465	1.1
131.43268	0.8
135.04443	2.5
143.03418	1.6
145.09912	0.7
149.04500	2.0
151.00346	1.8
153.03879	0.8
159.02832	0.9
161.02419	1.2
161.04472	4.7
166.05103	0.7
171.10234	1.1
173.08105	1.1
179.05573	2.6
179.07014	0.8
191.05566	2.1
197.11871	1.1
203.05441	0.9
208.14185	0.8
227.30286	0.9
229.14687	0.8
231.10332	0.9
245.72379	0.8
287.05698	1.4
343.21246	2.2
359.17270	2.5
359.21127	1.4
371.20905	1.9
389.21710	7.7
431.22934	10.8
491.25198	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42724	0.5
57.03320	1.0
58.00459	0.9
59.01250	100.0
60.01592	0.9
69.03333	1.0
71.01254	21.6
71.27125	0.7
72.99174	0.9
73.02819	40.2
75.00734	1.6
83.01265	12.7
85.02822	2.2
87.00732	1.0
89.02322	8.0
95.01270	1.1
95.03430	0.6
97.02899	0.8
101.02324	34.3
113.02325	10.4
119.03414	5.7
125.02344	1.8
131.03415	2.7
135.64967	0.6
143.03409	2.4
149.04460	6.6
153.09145	2.9
155.03497	0.7
161.04468	14.1
169.92441	0.6
197.08121	2.7
203.05516	1.2
221.06650	3.3
257.09305	0.7
269.10211	0.7
285.12650	0.7
287.18701	4.3
329.11664	2.7
431.22949	4.1
449.23889	3.4
491.18344	1.0
491.24927	28.8
492.25095	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10817	0.5
55.01746	0.6
57.03337	0.9
58.00483	1.3
59.01250	100.0
60.01580	0.9
61.98684	2.6
69.03351	0.8
69.20102	2.3
69.20532	3.2
71.01254	19.9
72.99175	0.8
73.02818	34.3
75.00746	1.4
83.01260	8.2
85.02804	2.6
87.00768	0.8
89.02322	5.2
92.20818	0.6
98.19832	1.1
99.00773	0.6
101.02321	31.2
105.49938	0.5
113.02328	8.0
115.00336	0.6
119.03383	4.5
125.02328	1.5
131.03427	2.7
140.65588	0.5
143.03445	3.2
149.04459	7.2
155.03415	0.7
161.02408	1.2
161.04471	12.5
162.04788	0.7
175.03986	0.5
191.05516	0.9
197.15356	0.8
200.76328	0.5
203.05524	1.1
219.13840	3.1
221.06596	6.7
227.03496	0.9
237.14990	3.7
239.16728	1.0
269.17621	3.9
284.03180	0.8
285.03900	2.0
286.04013	2.3
287.04553	1.8
287.18625	1.2
311.09335	0.5
343.21027	1.2
359.16409	0.6
359.20575	0.9
366.76791	0.6
431.22992	2.7
432.23669	0.6
449.23956	0.8
453.01648	0.6
481.27716	0.7
491.10846	1.7
491.24936	22.3
492.25098	3.5
514.80762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03327	0.5
59.01250	32.8
60.01583	0.3
61.98704	3.1
63.02258	1.4
65.00195	9.2
66.00533	0.2
69.50519	0.2
70.79290	0.4
71.01249	2.1
73.02824	1.9
75.00765	0.3
78.68832	0.2
83.01254	4.4
83.01726	0.3
85.02831	0.8
87.00784	0.3
89.02317	1.2
93.03340	0.3
95.01235	0.3
101.02306	1.1
102.43748	0.2
107.01271	17.5
107.04924	0.3
108.01605	0.6
108.99196	0.3
109.02852	1.5
113.02317	1.2
117.01800	0.3
119.03397	0.2
121.02842	0.2
123.04399	0.3
125.02329	4.7
126.02696	0.3
131.03433	0.3
133.02855	0.5
134.03644	1.3
135.04413	67.3
136.04750	2.7
143.03461	0.3
149.04454	0.7
149.22346	0.2
151.00273	100.0
152.00616	3.3
153.05481	0.5
159.04532	0.2
160.01573	1.0
161.02357	1.7
161.04456	0.7
163.11185	0.4
164.04681	0.4
165.01869	0.8
165.04984	0.3
169.01335	1.9
173.04445	0.4
175.03897	1.7
177.01834	0.8
179.03444	0.3
179.07028	0.5
180.07387	0.5
180.10939	0.2
181.10812	0.4
181.12270	4.8
182.04544	0.2
182.12621	3.9
183.12843	1.0
190.62144	0.2
191.05565	0.8
193.05064	0.5
196.24794	0.2
197.04512	1.1
209.11768	0.5
225.05437	0.3
225.11282	1.5
226.11630	1.4
227.11728	0.5
229.60773	0.2
235.08171	0.5
243.12325	0.2
269.04468	0.5
275.09036	0.2
275.98880	0.2
287.05603	81.7
288.05963	7.9
301.20193	0.4
343.20993	0.5
357.15387	0.4
358.15982	1.0
359.16132	1.3
359.20728	0.6
371.20709	0.7
373.25836	0.6
389.21890	1.5
431.09933	0.5
431.22900	0.7
490.19852	0.3
491.11676	6.4
491.19467	0.5
491.26724	0.3
492.11926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.4
70.56293	1.3
71.01250	6.3
73.02810	4.7
75.00747	1.2
84.61815	0.6
86.78799	0.6
87.00746	1.6
89.02314	28.9
102.48768	0.6
103.03888	2.1
131.03403	6.4
133.85912	0.6
149.04457	100.0
150.04794	2.5
180.90187	0.6
191.05586	3.0
192.05956	0.7
267.64172	0.8
343.05991	0.6
390.89114	0.7
458.60840	0.6
491.11954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53160	0.6
57.03325	10.6
59.01254	46.7
60.01572	1.1
60.34321	0.6
61.98707	4.4
66.52509	0.7
69.21308	8.2
71.01254	5.2
73.02821	7.2
75.00745	4.0
83.01267	1.0
85.02821	2.1
89.02316	3.2
93.03340	1.4
97.06479	10.8
99.04397	8.6
101.02337	4.8
109.06487	1.6
111.08063	4.2
112.78533	0.7
113.02335	3.2
117.41120	0.8
119.03418	0.7
123.04366	0.8
123.08102	0.9
125.02341	3.5
131.03490	1.2
133.02805	1.4
136.35028	0.7
136.73283	0.7
137.02357	1.2
149.04453	2.9
150.89207	0.8
161.02306	0.9
161.04471	1.0
163.11198	0.8
165.11401	0.8
165.12779	13.4
170.84613	0.8
173.04459	1.3
177.01752	1.1
183.13850	39.1
184.14122	1.0
191.05557	1.7
209.11815	9.3
210.12158	0.9
227.12849	100.0
228.13161	7.1
231.10150	1.0
271.02673	1.0
275.09265	2.5
287.22446	1.3
334.06854	1.0
335.51071	0.8
359.17126	29.3
359.24048	1.3
360.17340	3.0
371.20560	0.9
373.26227	1.1
389.21628	0.9
431.26474	2.5
443.46198	0.8
447.22440	3.3
449.27725	2.5
460.27725	0.9
491.21384	19.7
491.28552	6.2
492.21542	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	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14837	0.3
53.85967	0.2
55.01754	0.5
57.03333	0.8
59.01251	100.0
60.01585	1.3
61.98709	1.1
67.01748	0.3
69.03320	0.3
69.70753	1.6
71.01254	6.7
71.01621	0.5
72.01592	0.2
72.99190	0.6
73.02821	4.4
75.00763	0.8
78.68110	0.2
83.01258	1.6
84.91882	0.2
85.02828	2.5
87.00777	0.8
89.02322	2.2
93.03339	0.7
95.01292	0.5
97.02798	0.3
98.20586	0.3
99.00771	0.6
99.04411	0.3
100.90430	0.2
101.02325	7.8
102.02650	0.3
107.01292	0.8
109.02837	0.4
111.00746	0.4
113.02337	4.2
115.00320	0.3
118.98044	0.3
119.02693	0.2
119.03421	1.1
125.02334	1.7
129.01833	0.2
131.03378	0.5
132.02069	0.5
132.24222	0.3
133.02821	0.4
134.03603	0.5
135.00780	0.6
135.04361	0.3
135.11789	0.6
143.03423	0.6
149.04445	1.3
151.00299	0.7
152.03400	0.3
159.02969	0.5
159.04347	0.4
161.02361	0.6
161.04497	2.5
163.00293	0.5
169.06616	0.3
173.04422	0.5
175.03987	0.3
179.03503	0.3
179.05476	0.5
179.10712	2.6
183.04485	0.4
185.06052	0.6
187.03975	1.1
189.05458	0.4
191.05592	0.7
195.04427	0.3
197.05902	0.3
199.03905	0.4
200.04649	0.4
201.11232	0.4
203.05634	0.3
205.75589	0.2
207.13892	0.3
211.03851	1.3
213.05446	0.6
223.09647	0.3
225.11345	0.3
225.14993	0.5
227.03452	11.9
228.03795	1.3
229.05028	3.7
230.05405	0.3
239.03529	0.7
241.05052	0.5
255.02971	25.9
256.03455	3.3
257.04517	2.0
267.03030	0.3
267.16003	0.5
283.02435	0.5
284.03265	36.1
285.04007	40.9
286.04370	3.0
357.15619	0.6
369.19083	2.0
373.18695	0.5
387.20255	7.1
388.20844	0.7
429.21164	2.6
430.21564	0.5
447.09308	0.4
488.67847	0.3
489.10388	16.2
489.26578	0.8
490.10666	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86455	0.2
55.01757	2.2
57.03318	2.0
58.00460	0.8
59.01251	100.0
60.01579	0.8
61.98706	0.5
66.17405	0.2
69.03334	0.6
69.22217	0.6
69.22624	1.9
71.01254	35.4
72.01606	0.6
72.99182	1.1
73.02820	11.3
75.00743	0.7
81.03342	0.3
83.01256	5.6
85.02823	17.4
86.03187	0.5
87.00757	2.3
89.02318	7.5
90.02657	0.4
90.41158	0.2
93.03327	0.3
95.01269	2.6
97.02831	1.4
99.00757	6.3
101.02324	18.8
101.27052	0.2
102.02696	0.3
110.05778	0.2
111.00793	0.6
113.02332	15.2
119.03404	1.2
120.99507	0.5
125.02309	1.7
129.01848	0.9
131.03400	2.4
135.04405	1.7
143.03403	1.7
148.26134	0.2
149.04454	1.0
159.02887	2.5
159.04138	0.4
161.02397	0.5
161.04466	14.1
162.04851	0.4
168.05739	0.2
171.95685	0.2
173.04492	0.3
179.03403	1.3
181.12302	0.3
185.04543	0.3
187.07549	0.3
191.05585	0.9
201.05577	0.5
203.05600	0.4
205.03531	0.3
225.11177	0.3
231.10167	0.2
233.06685	0.3
285.12567	0.4
291.13440	0.2
291.93530	0.2
297.17136	0.8
315.18112	21.6
316.18488	2.3
357.19235	2.7
357.23007	0.2
357.26752	0.4
359.17249	0.3
359.75220	0.2
429.21088	1.4
447.22333	23.6
448.22711	2.8
489.23471	10.8
489.34375	0.5
490.23648	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81259	0.3
54.24459	0.4
55.01752	2.1
57.03319	1.9
58.00451	0.6
59.01249	100.0
60.01592	0.9
61.98681	0.4
67.31564	0.3
69.03335	0.8
69.21994	3.5
71.01252	33.5
72.01591	0.5
72.99187	0.8
73.02816	9.3
75.00758	0.7
81.03387	0.3
83.01256	5.0
85.02819	18.0
86.03182	0.4
87.00766	2.1
88.40353	0.3
89.01766	0.5
89.02314	7.3
89.02837	0.5
95.01266	2.5
97.02833	1.7
99.00751	5.8
101.02319	15.6
102.02691	0.4
111.00789	0.8
112.02804	0.4
113.02325	13.9
114.02800	0.4
119.03400	1.5
120.99562	0.5
125.02312	2.2
129.01859	0.9
129.87692	0.3
131.03395	1.9
133.02979	0.5
135.04422	1.4
143.03410	1.8
149.04520	0.8
159.02898	1.7
161.02440	0.8
161.04468	13.8
162.04778	0.5
179.03439	1.4
180.03731	0.4
181.12325	0.4
185.04651	0.4
187.07703	0.5
191.05583	1.1
205.03511	0.7
225.11223	0.5
285.12445	0.5
297.17294	0.8
315.18100	21.4
316.18451	1.8
345.30151	0.5
357.19275	2.8
357.26514	0.7
429.21365	1.7
447.22330	21.1
448.22604	2.1
489.23557	7.7
489.34354	1.8
490.23749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06062	1.1
55.01749	3.1
57.03321	3.2
58.00473	1.6
59.01248	100.0
61.98705	1.9
67.01768	1.0
69.03323	4.3
69.38290	2.7
69.38710	6.7
69.51545	1.0
71.01250	34.3
72.99168	6.2
73.02406	1.3
73.02817	26.0
81.03336	1.8
83.01256	3.9
83.04911	1.3
85.02816	14.1
87.00754	11.9
89.02312	10.4
91.16686	1.1
93.03343	3.4
95.01257	6.0
97.02818	7.0
99.00744	4.9
99.04395	3.7
99.66762	1.2
101.02309	13.8
109.02843	3.9
110.06043	1.5
111.00758	4.6
111.04384	2.6
111.59181	1.0
112.01608	1.4
113.02332	15.6
114.03104	3.5
119.03365	3.9
121.02853	1.3
123.04433	1.1
123.08033	1.1
125.02325	4.8
127.03892	1.6
127.17415	1.5
129.01807	4.2
129.05473	1.7
131.03360	1.6
133.02896	2.0
135.04411	3.4
136.04745	1.1
137.02321	4.6
143.03372	4.2
149.02397	1.3
149.04422	4.5
155.03413	3.8
159.04369	1.4
161.02367	2.2
161.04460	13.5
166.02687	1.5
167.03448	1.2
173.04448	2.8
173.05907	2.3
174.29277	1.2
175.03632	1.0
179.03394	3.7
180.11154	1.4
181.12244	6.1
185.04456	4.5
191.05518	3.2
222.36565	1.1
225.11197	3.0
228.04204	1.4
243.06665	2.2
249.14937	2.3
251.16452	1.8
253.18083	3.0
279.16040	1.2
297.17191	2.9
315.12271	1.7
315.18140	19.9
339.18137	4.2
357.15198	2.2
357.19077	19.5
358.19586	1.6
367.17792	1.4
371.24503	1.4
373.25879	6.9
413.03348	1.2
429.21243	54.2
430.21637	8.2
447.21817	20.4
448.22049	2.2
469.87747	1.1
489.21341	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76665	0.6
55.01747	1.8
57.03335	2.9
58.00450	0.9
58.28721	0.6
59.01247	100.0
60.01591	1.0
61.98648	0.7
67.75411	0.6
69.03330	0.8
69.67416	3.5
71.01252	33.3
72.99178	1.3
73.02818	8.7
75.00744	1.0
83.01262	3.1
85.02821	15.7
85.03298	1.1
87.00765	2.1
87.75053	0.6
89.02322	7.5
90.15411	0.7
93.03358	0.9
95.01276	2.2
97.02850	0.8
99.00750	4.4
101.02321	17.0
102.02721	0.8
109.02916	0.8
111.00807	0.8
112.35377	0.5
113.02318	13.1
114.79031	0.7
115.76315	0.7
119.03397	1.7
125.02368	1.1
129.01863	1.1
131.03362	2.8
135.04399	1.0
137.02419	0.8
143.03419	1.2
149.02284	0.7
149.04463	1.3
159.02870	1.6
160.99947	0.6
161.04474	9.0
166.02521	0.5
171.10110	1.1
173.04526	0.7
179.03429	1.3
179.05521	0.6
181.12279	1.2
184.43469	0.6
191.05544	2.2
225.11391	1.1
297.17227	0.7
309.15247	0.6
315.18134	22.2
315.21771	1.3
316.18512	1.9
341.22360	0.6
357.15363	0.8
357.19205	3.7
357.26288	4.7
371.24399	6.1
372.24847	1.0
429.21036	0.8
447.22299	25.7
448.22836	3.4
489.22900	11.3
490.23804	1.3
494.97855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11142	0.3
59.01251	100.0
60.01577	1.2
61.98717	0.6
66.28079	0.3
69.79744	0.9
69.80149	1.4
71.01252	12.7
71.37556	0.4
72.99181	1.1
73.02830	0.6
83.01254	0.4
85.02839	1.4
87.00716	0.7
89.02316	17.9
95.01258	0.8
98.02368	0.6
99.01882	0.5
101.02329	5.9
113.02337	5.0
119.03394	7.0
129.71976	0.4
130.24457	0.4
131.03395	0.8
143.03413	1.8
149.04517	1.1
151.00337	0.3
161.04442	2.3
179.05534	5.9
191.05592	1.0
214.14622	0.4
261.78067	0.4
287.99487	0.4
489.23221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27822	0.3
59.01250	9.3
61.98702	0.8
69.38997	3.2
71.01250	1.6
73.02818	14.6
80.25007	0.4
85.02846	0.5
87.04396	0.5
89.02325	2.0
95.04917	1.0
98.19842	0.8
100.87167	0.3
101.02343	0.6
103.03895	0.3
109.97089	0.3
115.91040	0.4
131.03415	2.1
131.84650	0.3
133.02866	0.6
149.04468	5.9
161.09599	0.6
163.11198	8.8
164.11511	0.6
167.81194	0.3
179.10757	0.5
180.10947	0.6
181.12263	100.0
182.12605	6.1
182.14078	0.7
203.25766	0.4
207.10034	0.4
224.28113	0.3
225.11279	56.5
226.11604	3.5
247.20816	0.4
255.03253	0.4
309.69949	0.4
341.49191	0.3
357.15536	35.3
358.15964	3.7
358.89093	0.3
489.19745	27.8
490.20242	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91549	0.3
59.01247	5.4
61.98710	0.6
69.51218	0.7
69.51619	1.7
71.01258	1.3
73.02819	10.6
74.63640	0.4
89.02317	0.7
95.04900	0.9
98.20633	0.8
119.66601	0.4
125.02173	0.4
131.03415	2.0
149.04466	4.4
154.73260	0.4
161.09685	0.5
163.11191	7.0
179.10721	0.4
180.11034	0.6
181.12262	100.0
182.12602	5.6
207.10130	0.5
223.12654	0.4
225.11276	58.3
226.11613	4.0
292.30069	0.4
339.14496	0.4
357.15530	40.3
358.15854	3.8
489.19748	33.3
490.20212	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	1.2
59.01252	23.2
61.87727	0.8
61.98709	1.3
66.05937	0.6
70.62978	1.5
70.63380	1.6
70.74615	0.7
71.01241	2.6
71.90648	0.6
73.02829	9.8
75.00750	1.2
76.07776	0.6
77.03842	0.9
85.02846	0.9
87.00744	1.0
89.02318	5.4
93.03327	0.8
95.04899	4.4
101.02345	1.6
105.03351	6.2
107.04890	1.0
108.31697	0.7
113.02282	0.7
113.05943	1.1
121.02853	0.8
123.04387	0.9
131.03394	2.8
133.02861	42.8
134.03584	2.8
135.04445	4.3
137.02333	1.8
149.03313	1.4
149.04466	20.3
153.77710	0.7
155.10768	0.6
161.04570	0.8
161.09637	0.8
163.11200	8.6
164.11481	0.9
177.01863	31.6
178.02638	4.6
179.03470	3.1
179.07072	1.4
179.10703	1.0
181.12277	48.5
182.12601	2.0
183.10222	1.0
207.10220	2.0
225.11290	100.0
226.11542	7.0
243.12389	1.4
258.33273	0.7
271.58966	0.9
327.08789	1.3
339.08499	1.0
339.14542	0.7
357.15543	40.0
358.15994	4.0
411.23370	0.9
488.68933	0.7
489.19800	29.3
490.20389	3.5
503.59995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36673	0.8
55.01748	0.9
57.03321	73.1
58.03662	1.6
59.01249	100.0
59.94988	0.8
61.98706	2.7
69.03323	1.2
71.01247	16.3
71.50690	1.1
71.51122	1.1
72.71404	0.9
72.99163	1.3
73.02818	8.0
73.78410	0.8
77.86018	0.9
81.03339	2.2
83.01251	2.7
85.02827	8.2
85.97690	0.8
87.00746	2.2
89.02317	5.8
92.54287	0.8
93.03353	1.2
95.01261	1.2
97.06476	1.1
99.00757	3.1
99.04396	67.0
100.04728	2.2
101.02317	21.0
111.00774	1.2
113.02323	7.0
118.38046	0.8
119.03387	1.6
120.99522	2.2
122.34100	1.1
125.02333	29.9
131.03302	0.9
133.02864	1.2
135.04393	4.4
137.02365	0.9
139.64584	0.8
143.03418	1.4
149.04453	3.1
159.02940	0.9
161.02333	2.6
161.04448	7.8
162.02937	1.0
173.04539	1.9
178.02658	1.0
179.03427	4.7
180.03763	1.6
181.12247	1.9
186.06795	1.1
187.07588	2.2
191.05547	3.8
191.34634	1.1
195.08069	2.0
201.05521	1.3
215.07106	1.4
225.11273	1.9
231.10170	1.4
233.06625	1.0
275.09140	1.1
309.15054	1.2
345.13351	3.9
346.13449	0.9
357.26489	8.7
440.15005	1.1
447.21976	1.1
489.20956	3.9
489.27048	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	489.1042
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
57.03321	0.9
59.01254	49.2
65.00182	0.5
69.26933	1.5
69.27354	2.5
71.01250	4.5
72.99171	0.4
73.02819	3.4
83.01260	1.5
85.02840	2.5
89.02312	2.1
93.03342	1.7
98.19707	0.5
99.00776	0.7
101.02335	4.9
107.01281	1.7
109.02908	0.6
113.02332	2.5
119.03407	1.0
125.02328	1.0
132.02074	1.8
134.03622	0.5
135.00772	2.1
135.04443	0.4
135.11783	0.8
143.03369	0.9
143.04907	0.8
149.04439	1.2
151.00253	1.9
157.06528	0.7
159.04420	1.5
161.04553	2.5
163.00244	2.2
164.00998	0.6
165.01837	0.6
165.03943	0.5
167.04935	0.5
167.10660	0.6
169.06540	0.5
171.04416	0.7
179.05466	0.5
179.10669	2.9
183.04446	0.8
185.05988	1.6
187.03926	2.6
189.05472	0.6
191.05649	0.9
195.04428	0.6
197.05963	0.8
199.03853	0.8
200.04723	0.5
207.03262	0.5
211.03961	2.6
213.05487	1.2
227.03455	30.6
228.03848	2.6
229.05016	9.3
230.05334	0.6
239.03513	1.8
240.04222	0.6
241.05026	1.4
255.02982	62.4
256.03522	7.4
257.04480	4.4
267.02908	0.6
283.02402	0.9
284.03271	75.6
285.04019	100.0
286.04391	7.9
327.05051	0.7
369.19168	1.6
385.40829	0.5
387.20221	6.4
388.20602	0.9
429.07819	0.6
429.21320	3.2
451.13907	0.4
484.30258	0.5
489.10422	39.4
490.10837	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	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01252	10.8
61.21347	0.6
61.98689	1.2
67.01752	0.7
69.03310	0.6
71.01255	7.5
72.99171	0.8
73.02784	1.6
75.08216	0.6
78.95791	3.4
81.03311	0.9
83.01229	1.9
83.04917	3.0
85.02808	4.3
87.00722	1.4
89.02277	1.4
93.03333	6.1
95.04916	0.7
97.02790	0.5
97.06406	0.6
98.19760	1.0
99.00753	0.9
101.02296	2.5
109.02813	0.6
111.04408	5.1
113.02309	2.1
127.03859	0.7
129.01778	1.0
131.31387	0.5
133.02805	1.3
134.03571	0.7
135.04398	4.6
137.02289	1.7
139.03918	0.5
143.03290	0.6
147.04459	0.6
149.04456	1.8
151.00352	0.7
152.99583	0.6
155.03412	6.7
159.04430	2.7
161.02324	1.8
161.04488	0.9
171.00578	0.6
172.05212	25.0
173.04460	18.0
173.05965	100.0
174.06313	5.7
175.03874	1.1
179.03404	5.5
179.10657	0.9
183.08008	1.0
185.04501	0.8
185.05994	10.8
186.06503	1.0
187.07509	2.4
188.04660	2.1
191.05531	8.4
197.13370	0.6
198.06783	3.6
199.07578	36.1
200.08095	5.7
201.05553	0.9
201.09073	1.5
213.09132	1.5
223.09686	0.6
225.05531	0.9
225.09111	1.2
227.10683	1.0
229.05020	17.2
230.05301	1.4
241.12260	1.6
241.15965	1.4
242.05882	0.9
243.06609	26.8
243.13872	19.8
244.07356	11.2
244.14127	2.4
245.07884	0.9
247.00055	0.6
251.14417	8.3
252.14622	0.7
253.12303	2.1
260.40829	0.5
267.13730	1.2
269.15457	31.1
270.15881	2.7
295.13358	0.9
313.14450	99.0
314.14789	10.9
343.28491	1.0
355.14526	0.9
355.24646	0.9
424.10208	0.6
445.24289	0.7
486.31796	0.7
487.19751	9.7
487.26450	0.8
487.32480	4.0
488.18948	1.0
488.25125	1.0
488.33112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21060	0.4
55.01766	0.6
57.03324	8.4
58.00467	0.5
59.01251	30.9
60.01580	0.5
60.87466	0.4
61.98703	0.6
69.03317	0.5
69.86237	2.3
71.01257	5.4
73.02827	4.8
75.00746	0.6
80.58511	0.4
83.01259	1.0
83.04879	0.9
85.02821	1.8
87.00761	1.1
89.02309	2.9
90.98431	2.1
93.03326	2.0
95.01291	0.5
97.02848	0.4
99.00771	0.6
101.02330	3.7
107.04881	1.3
107.22715	0.4
111.96192	0.4
113.02328	2.6
114.68170	0.4
118.97987	0.5
119.03421	1.0
120.05701	2.0
122.03611	0.6
125.02333	0.6
133.02844	1.0
135.04430	3.6
135.08055	3.9
137.02338	0.8
137.09630	0.6
143.03365	0.6
145.06503	0.5
147.08063	2.2
149.04454	2.0
152.03441	0.5
155.03398	1.0
155.10701	3.5
161.02341	1.6
161.04468	1.6
162.06741	0.6
163.03891	0.4
163.09836	0.7
163.11203	10.8
164.04704	27.3
164.11507	0.5
165.05026	1.1
167.03094	0.5
171.07985	0.6
173.04553	1.0
175.07564	13.2
176.07919	0.8
179.03543	3.6
179.07059	24.1
179.10600	1.1
180.07414	1.1
187.11169	3.6
189.09151	7.0
190.09920	5.5
191.05579	3.2
192.05974	0.5
199.09718	2.3
205.12283	100.0
206.12599	7.5
213.41031	0.4
222.08923	1.4
223.09454	0.4
223.13397	0.5
309.07489	0.4
311.09579	1.1
325.10571	0.5
331.14001	0.4
348.52765	0.4
355.07983	0.4
355.13928	0.9
449.23740	0.7
469.16306	0.7
487.17343	1.4
499.01059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.4
59.22431	0.7
61.45131	0.7
68.52097	0.7
68.60516	0.7
71.01259	4.8
72.20329	0.7
73.02819	4.9
78.14497	0.8
89.02317	18.4
101.02322	1.4
103.03861	1.9
108.19271	0.7
111.04416	1.0
131.03395	7.5
132.03810	0.9
133.10184	1.3
135.11702	14.6
136.12000	0.8
149.04459	94.2
150.04811	2.0
161.09601	3.5
179.10696	100.0
180.11023	5.6
191.05515	1.1
205.12288	1.7
223.09711	30.6
224.10039	2.7
259.84030	0.8
311.15030	1.2
337.13037	1.5
352.29666	0.7
355.13971	40.7
356.14328	4.3
364.03537	0.7
448.70566	0.8
487.18207	31.0
488.18549	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77572	0.7
54.21559	0.7
57.03310	1.0
59.01258	5.3
69.21404	2.6
69.21824	5.8
71.01248	4.2
73.02831	6.7
87.00773	1.5
89.02315	22.3
103.03885	1.9
114.58881	0.7
131.03400	6.5
133.10185	1.3
135.11687	17.6
136.12024	1.0
149.04457	88.5
150.04797	2.5
161.09630	3.9
179.03404	1.9
179.10692	100.0
180.11050	6.0
191.05511	0.9
205.12267	2.1
223.09692	34.6
224.10083	3.1
355.13956	50.4
356.14355	7.1
364.62604	0.8
469.20029	0.9
487.18204	34.7
488.18585	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	487.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.6
58.13274	0.4
59.01252	4.4
60.87213	0.3
60.99181	3.6
65.03833	0.6
67.01762	10.2
69.03329	2.4
70.52657	0.7
70.53014	0.9
71.01257	5.1
73.02821	1.0
80.09967	0.3
81.03339	2.3
83.04875	2.0
85.02824	10.6
87.00756	14.4
93.03341	66.9
94.03671	1.9
97.02905	0.4
99.00782	1.0
99.04383	0.6
101.02317	0.7
108.02047	0.5
109.02845	1.7
109.06450	1.1
111.04414	10.5
112.04747	0.4
113.02330	1.1
115.03928	0.8
123.08022	0.5
125.02348	0.4
127.03905	2.8
129.01825	1.4
135.04424	0.8
137.02385	1.3
143.03448	0.5
149.04430	2.2
155.03423	3.0
159.04462	2.0
161.02362	0.5
171.02785	0.6
172.05220	1.4
173.04512	45.1
173.05995	8.5
174.04834	1.2
179.03313	0.8
185.06017	3.8
187.07579	1.3
191.05547	100.0
192.05881	3.6
199.07594	3.2
200.08298	0.9
201.09125	0.5
211.03938	1.1
211.07617	0.4
213.09152	0.8
225.05515	0.6
229.05017	5.3
239.10713	0.4
243.06625	1.7
243.13887	1.1
251.14377	0.6
253.12325	0.6
269.15485	6.6
270.15793	0.9
275.20206	0.8
295.13214	0.5
313.14465	6.5
314.14713	0.6
350.87057	0.4
487.19772	50.5
487.31125	1.7
488.20108	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.3
65.25832	0.5
65.40332	0.5
69.03325	0.7
70.68246	1.2
71.01250	4.5
73.02818	7.0
79.58649	0.5
79.59134	0.5
80.63756	0.5
82.93797	0.5
85.02831	0.5
87.00764	2.6
89.02320	24.3
101.02314	0.7
103.03923	2.1
131.03403	9.2
133.10109	1.8
135.11707	13.5
136.12074	0.9
145.16229	0.6
149.04460	100.0
150.04794	3.2
161.09608	4.6
179.10696	93.1
180.11029	6.4
200.65402	0.6
223.09708	26.9
224.10075	2.0
297.60754	0.6
311.14966	1.2
334.80661	0.6
337.13007	1.2
355.13968	31.8
356.14359	3.7
399.87393	0.5
487.18210	53.0
488.18661	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	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
61.55854	0.7
69.03334	0.9
69.85253	0.6
71.01260	1.3
73.02810	3.9
74.41808	0.5
80.35101	0.6
87.00739	0.9
89.02313	10.7
93.08633	0.7
103.03860	0.9
130.82555	0.6
131.03409	3.2
133.10101	1.1
135.11694	14.6
149.04457	55.9
150.04813	1.7
159.08063	0.9
161.09641	2.4
179.10689	100.0
180.10994	5.8
204.31047	0.6
223.09698	47.2
224.10052	2.8
226.20488	0.6
230.09193	0.7
355.13953	47.1
356.14212	4.8
487.18188	29.8
488.18591	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36979	0.7
57.03315	0.9
59.01250	12.5
66.88786	0.6
66.90529	0.8
71.01256	3.6
73.02818	5.0
87.00724	1.2
89.02318	9.4
89.45010	0.7
94.98077	0.7
98.19760	1.6
101.02315	1.7
103.03907	1.3
116.74751	0.7
119.71360	0.6
131.03395	4.1
133.10155	1.6
135.10818	0.6
135.11690	17.7
149.04459	40.3
150.04832	1.0
161.09625	3.0
164.04716	1.9
178.98193	0.7
179.03467	1.2
179.10696	100.0
180.11024	5.6
191.05490	1.1
205.12375	1.4
223.09702	41.2
224.10023	2.6
224.12158	0.7
229.20200	0.7
283.37521	0.8
288.39401	0.8
312.35980	0.9
355.13977	40.6
356.14468	5.4
487.18152	26.1
487.25180	1.5
488.18719	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	487.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03314	2.3
58.00466	1.6
58.41946	0.5
59.01249	100.0
60.01599	1.1
61.98698	3.9
69.03334	1.4
71.01253	42.2
71.49802	0.8
72.01585	0.7
72.99183	3.1
73.02818	23.4
75.00743	26.0
81.03346	1.7
83.01257	8.0
83.04926	0.6
85.02821	43.4
86.03175	0.7
87.00745	9.8
87.04403	1.3
89.02314	23.6
90.02668	0.8
90.98455	0.6
93.03321	2.6
95.01234	2.4
97.02824	3.3
98.02383	0.6
99.00751	3.9
99.04385	1.1
101.02321	45.1
102.02642	0.9
102.98473	0.7
106.06506	11.1
107.04918	1.6
109.02835	0.8
110.11229	0.5
111.04427	0.7
113.02334	16.5
114.51997	0.5
115.03906	1.3
117.01849	0.5
119.03390	12.3
119.04914	1.3
124.01551	14.0
125.02337	5.0
129.01857	0.4
131.03432	2.7
133.02902	1.0
134.03658	0.6
135.02892	7.2
135.04404	4.0
137.02335	0.7
143.03407	10.8
149.04503	3.8
149.06059	0.5
150.05525	6.0
151.03902	0.7
154.99756	0.8
155.03450	0.6
155.10713	0.7
159.02963	2.3
161.02448	2.5
161.04457	18.8
161.09647	1.4
162.04866	0.8
164.07118	1.1
165.01772	0.5
173.04546	1.2
179.03418	3.4
179.05548	7.2
179.06998	0.8
187.07492	0.6
191.05536	7.5
192.06451	0.8
194.04506	4.0
199.09763	0.5
203.05472	0.9
205.03564	0.5
205.12253	2.1
207.06660	0.6
209.11827	1.6
221.06558	2.9
229.08826	0.9
235.08281	1.4
245.28650	0.5
247.09648	0.6
263.07764	1.8
265.10822	1.4
266.11566	0.5
269.17496	0.7
283.11948	3.4
325.13141	1.0
326.08670	2.1
355.14331	0.6
356.09799	2.1
427.15808	3.9
428.16437	0.6
445.17078	7.6
446.17374	0.5
449.23929	8.9
450.24268	1.0
451.24545	1.8
469.16006	0.9
487.18445	2.1
488.14786	1.8
500.79272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22661	0.5
88.03916	58.5
89.04282	0.5
92.23631	0.4
98.19765	0.8
129.73466	0.5
143.03767	0.5
145.18867	0.4
147.08070	2.1
149.09637	1.8
161.09650	1.2
161.22427	0.4
163.11176	3.2
187.11215	2.6
196.27916	0.5
202.63982	0.5
206.15576	0.5
279.13913	0.9
280.14691	1.0
307.17102	0.8
309.22174	2.4
337.21716	100.0
338.22070	12.9
376.64798	0.4
382.27713	0.5
486.26855	11.6
487.27408	2.3
487.33743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.6
55.93716	0.4
56.34370	0.4
59.01247	36.2
61.98693	0.4
69.03300	0.6
69.28411	3.1
71.01252	11.9
72.21534	0.5
73.02815	10.5
75.00740	0.7
83.01254	1.1
83.04919	0.6
83.47894	0.4
85.02818	2.7
86.37683	0.4
87.00745	2.7
89.02312	29.4
93.03341	1.3
95.01276	0.7
99.00773	0.6
101.02319	6.8
103.03878	2.1
113.02330	3.2
119.03365	0.8
131.03406	7.1
133.02823	0.6
135.02914	0.7
135.04402	2.1
137.02409	0.4
149.04454	100.0
150.04802	2.6
157.08743	0.5
159.02882	0.5
161.02307	1.5
161.04446	5.1
173.04451	1.4
179.03386	2.0
180.19629	0.4
191.05493	3.2
192.05765	0.4
255.84966	0.4
269.04465	0.7
269.10287	17.5
270.10620	1.4
311.11423	5.3
312.11838	0.6
341.43729	0.5
377.23190	0.4
427.19583	0.7
455.18402	0.7
483.02957	0.4
487.14597	1.4
499.06079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89114	0.4
53.30700	0.4
59.01249	34.0
59.94022	0.5
63.02209	0.4
63.27925	0.4
69.03317	0.7
69.69622	0.6
69.70014	2.5
71.01252	9.8
72.99183	0.5
73.02815	10.6
75.00726	1.0
79.54722	0.4
79.57367	0.4
83.01261	0.9
83.04889	0.8
85.02815	2.7
87.00745	2.9
89.02319	28.3
93.03388	0.5
97.40677	0.4
99.00754	0.7
101.02319	5.9
103.00301	0.6
103.03871	2.1
113.02309	1.8
119.03374	0.9
131.03398	9.0
135.02858	1.2
135.04437	0.6
135.27402	0.4
137.02321	0.4
139.07544	0.6
149.04459	100.0
150.04816	1.9
161.04474	6.7
173.04456	0.6
191.05573	1.1
191.89859	0.4
192.05980	0.5
251.09192	0.5
253.51617	0.5
265.14420	0.5
269.10284	23.5
270.10602	1.9
311.11383	4.8
356.20764	1.1
487.14673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12931	0.3
51.60638	0.2
57.03311	0.4
59.01251	7.7
60.58522	0.3
61.98701	100.0
65.07412	0.2
66.90999	0.2
71.01254	1.9
72.81719	0.2
72.99189	0.3
73.02815	0.7
83.01282	0.4
85.02817	1.3
87.00761	0.4
89.02327	0.8
90.98479	0.6
93.03352	0.5
95.01249	0.4
97.02868	0.3
98.20580	0.6
99.00784	0.3
101.02341	1.0
108.31264	0.3
113.02357	1.0
115.91962	0.2
116.92776	0.7
131.03412	0.5
132.20329	0.3
133.02866	0.6
135.04457	1.6
135.11650	0.3
149.04469	1.1
161.02370	1.1
161.04422	0.6
173.04517	0.8
179.03435	2.8
179.10657	1.3
191.05554	1.4
205.12413	0.4
223.09781	0.6
252.10995	0.5
265.05133	0.3
280.10760	0.4
281.11478	0.5
292.03680	0.3
301.83990	0.3
310.15347	0.7
353.14142	0.7
354.14236	2.5
355.14182	0.9
404.60757	0.4
422.09760	0.3
486.20709	0.6
487.18335	0.8
487.33087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73862	0.2
70.62029	0.7
78.95775	7.5
81.76993	0.3
82.12441	0.3
86.64585	0.3
96.33438	0.3
96.96889	0.4
152.99495	14.8
153.99805	0.5
171.00621	1.4
227.03217	2.6
245.04317	1.2
255.23277	100.0
256.23618	10.8
256.26379	0.3
483.27283	25.8
484.27557	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87555	1.0
72.17658	0.3
72.35164	0.3
75.11226	0.3
76.19391	0.3
78.95773	20.5
82.98447	0.3
86.43259	0.3
96.96837	2.4
99.87172	0.4
101.19425	0.4
123.80925	0.4
150.97864	0.3
152.99489	30.7
153.99800	0.5
164.94653	0.3
171.00507	1.3
174.05600	0.3
182.04723	0.4
187.26535	0.3
227.03204	4.5
230.60254	0.4
237.22263	0.4
245.04308	0.7
255.23271	100.0
256.23633	8.9
391.22699	0.6
443.19904	0.4
483.27271	54.7
484.27567	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55018	0.4
56.97909	2.9
57.03323	72.3
58.03658	1.5
59.01253	33.8
69.25610	4.0
69.26012	0.9
71.01261	0.6
73.01036	7.2
74.98966	3.9
83.01276	0.7
87.00781	0.5
88.63806	0.4
89.00539	11.2
90.98489	0.9
91.05041	0.5
98.19766	0.7
98.98987	6.9
98.99594	0.7
99.44709	0.4
101.02329	2.0
105.07042	0.5
116.99227	0.6
117.00051	10.5
118.97975	17.4
127.00237	0.8
135.01111	3.3
142.97987	22.8
160.99048	12.6
173.04462	0.7
179.00114	100.0
180.00496	2.6
189.12613	0.4
191.05626	1.0
204.16074	0.5
220.05939	0.5
233.11812	1.5
311.13168	0.6
367.18723	0.5
425.12686	3.6
467.13470	0.5
485.14847	75.3
486.15228	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	485.149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97916	2.4
57.03323	71.3
58.03661	1.3
59.01252	15.1
61.98710	1.3
69.67436	1.9
69.67847	1.1
71.01261	2.1
73.01039	7.3
73.02830	0.8
74.98970	27.0
83.01276	1.0
83.04887	0.7
85.02838	0.8
87.00790	0.7
89.00539	14.5
89.02345	0.9
90.98472	2.2
93.03366	0.9
97.02883	0.5
98.98987	6.0
100.98685	0.5
101.02335	3.2
109.02853	1.0
113.02330	1.2
117.00053	14.1
118.97977	21.1
119.98344	0.5
120.23591	0.5
127.00308	0.9
127.05864	0.6
133.02806	0.9
135.01122	3.4
135.04410	0.5
137.02353	0.9
142.97984	20.4
149.04524	0.9
160.99063	11.9
161.02341	0.8
173.04398	1.2
179.00116	100.0
180.00453	2.8
191.05577	2.0
199.09355	0.5
233.11784	1.2
250.06053	0.5
279.10339	0.7
297.11530	1.0
304.40778	0.5
309.14948	0.9
353.13760	1.6
353.23407	1.3
425.12744	4.3
425.79565	0.5
426.13123	0.6
447.22470	2.4
448.22827	0.5
449.13992	0.6
467.13992	0.6
485.14856	87.8
486.15082	12.4
507.14066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	10.5
59.00963	0.5
59.01250	8.6
61.98692	2.6
63.33558	0.4
69.38461	1.3
69.38886	1.8
71.01247	0.7
73.02821	0.8
74.02339	20.4
78.60756	0.4
83.07525	0.4
85.02839	0.6
87.05508	1.4
89.02313	0.6
89.39854	0.4
90.00071	0.9
93.03338	1.2
97.03944	1.4
97.09148	0.4
99.05518	14.5
100.05917	0.6
113.02311	0.4
113.03455	0.4
121.02866	0.6
123.04400	0.4
127.38585	0.3
131.04506	3.6
133.02826	0.6
133.04329	0.4
135.04419	0.7
143.04524	52.0
144.04855	0.9
149.02342	0.6
150.03125	0.4
152.84352	0.4
160.00598	0.7
162.59303	0.4
173.04459	1.5
177.03308	100.0
178.03712	3.5
191.05539	2.9
213.97015	0.4
483.17313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77653	0.2
69.44075	0.4
69.44479	1.9
78.95776	5.5
79.88140	0.3
96.96852	0.5
152.99486	13.9
171.00577	1.2
183.18274	0.3
199.60312	0.3
225.04156	0.3
227.03250	3.1
245.04282	1.1
255.23262	100.0
255.61577	0.3
256.23602	9.9
483.27267	26.4
484.27557	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95837	0.7
70.36043	2.9
72.05776	0.7
78.95776	45.4
96.96841	2.8
98.20496	1.0
142.10890	1.0
150.98006	0.9
152.99493	63.1
153.99811	1.0
171.00558	19.3
199.54686	0.7
227.03281	3.3
245.04283	100.0
246.04623	3.9
246.26956	0.8
253.21703	64.7
254.22090	5.2
347.13293	0.8
481.25732	33.9
482.26273	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	482.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.4
61.98708	1.5
71.50115	0.9
71.72894	0.7
75.00732	0.6
75.47733	0.7
83.33268	0.7
89.03880	0.6
90.31120	0.6
104.02563	1.5
105.03365	1.3
133.02824	2.9
148.01561	2.3
149.02339	0.8
176.01105	7.0
177.01851	32.0
178.02165	2.1
197.11789	1.9
201.11359	0.8
209.11729	1.2
275.20291	0.8
290.08267	0.8
291.09265	0.7
378.07578	1.0
382.07297	0.7
402.07578	0.8
406.07016	1.4
420.08768	3.9
422.10403	1.9
424.08307	4.1
433.05408	0.8
434.06573	2.3
438.09891	6.4
439.10211	1.4
448.08224	14.1
449.08762	3.8
450.09735	1.1
451.06921	4.9
452.07767	21.5
453.08109	3.3
466.09280	19.3
467.10083	25.2
468.10468	2.6
482.12433	100.0
483.12720	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	481.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.1
59.01241	9.6
69.03318	2.5
71.01247	11.4
71.49326	1.6
72.41286	1.2
73.02821	5.6
79.45650	1.3
83.04916	2.7
85.02824	11.3
87.00758	2.6
89.02324	4.4
93.03337	6.9
95.01272	3.0
97.02827	2.1
97.06466	10.5
99.00765	3.2
99.04391	1.5
100.07811	1.2
101.02328	8.6
109.02856	2.9
111.04409	4.9
113.02345	6.7
116.64584	1.2
123.08039	4.3
125.02376	1.4
125.05962	5.1
125.09612	100.0
126.09924	2.5
127.03867	1.8
131.03387	3.5
133.02916	1.4
134.03622	1.8
135.04404	4.2
137.02336	1.8
143.03387	1.7
146.03604	2.4
149.04478	1.5
155.03468	3.1
158.03685	3.5
159.04419	7.6
161.02347	4.9
161.04460	3.5
161.06052	1.3
167.10655	1.3
169.08635	3.7
172.05272	2.9
173.04463	13.1
173.06012	5.4
174.06728	2.0
179.03455	1.6
179.10701	2.3
187.03966	3.6
187.07607	35.5
187.09689	92.4
188.07941	2.9
188.10031	4.1
191.05544	63.0
192.05873	3.4
201.05507	2.4
201.11224	3.6
202.06306	10.8
203.10777	4.3
211.09692	2.6
213.09163	4.4
215.07117	2.9
223.09683	9.8
231.10225	20.5
241.10741	3.4
259.11844	6.7
263.12906	3.6
275.09253	54.0
276.09607	4.6
289.10895	2.5
301.12213	1.5
307.11832	7.0
319.13879	11.0
349.14941	3.1
391.16083	9.9
449.14536	10.1
481.19153	34.3
481.26309	2.9
482.18472	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41680	0.8
62.37564	0.8
63.78524	0.8
70.87675	1.6
78.95776	55.9
87.94469	0.8
96.96819	4.8
150.97864	0.8
152.99490	72.9
153.99814	1.5
171.00558	22.1
227.03174	3.0
245.04288	100.0
246.04634	2.8
253.21709	54.5
254.22066	5.5
481.18610	1.7
481.25696	35.0
482.26065	5.9
505.25266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98924	0.7
57.03314	2.1
58.16747	0.6
59.01254	9.4
60.99172	3.1
61.98705	8.0
65.03856	0.8
67.01764	11.7
69.03331	2.8
69.37762	5.4
69.38167	1.6
71.01255	7.4
71.83386	0.6
72.99191	0.8
73.02822	1.3
81.03327	2.1
82.75185	0.6
83.04904	2.3
85.02832	1.9
85.34766	0.7
87.00757	10.4
89.02317	1.1
93.03337	73.1
94.03648	1.6
94.57166	0.7
98.19757	0.6
99.00758	0.7
99.04365	0.8
101.02330	1.5
109.02840	0.9
111.00784	1.7
111.04404	10.3
113.02330	1.6
115.03880	0.6
118.86570	0.6
123.26846	0.6
128.87820	0.7
129.01826	1.2
133.02866	4.3
134.03636	8.7
135.04405	2.4
137.02365	6.1
139.03983	1.1
143.03366	1.2
143.10713	1.2
147.04475	0.8
154.99863	1.0
155.03410	5.3
157.00240	1.1
173.04483	100.0
174.04767	3.6
175.03958	1.6
175.07581	1.0
177.01852	2.9
178.02666	10.4
179.03336	2.9
188.45642	0.7
191.05528	4.4
196.90414	0.8
203.06938	0.8
204.07906	0.8
275.09180	3.6
304.99066	0.8
306.07254	0.8
307.11966	0.9
351.07455	1.1
352.07983	1.1
391.13339	1.4
449.14508	21.2
450.14987	2.6
451.15173	2.0
481.16727	14.3
482.17548	1.5
484.34000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91312	0.4
53.36781	0.4
57.03319	2.2
59.01251	7.0
60.99176	5.4
61.01660	0.5
61.98700	6.9
63.37706	0.4
65.03831	0.6
67.01759	15.7
69.03328	4.1
69.37653	3.0
69.38052	0.7
71.01257	6.7
72.99162	0.4
73.02807	1.4
81.03332	2.7
82.02824	0.4
83.01254	0.8
83.04892	1.8
83.85074	0.4
85.02845	1.3
87.00748	20.8
89.02335	0.7
93.03332	100.0
94.03658	2.6
99.00764	2.4
99.04398	1.8
101.02345	1.4
103.03864	0.5
105.03345	0.4
109.02849	1.4
111.04395	15.0
113.02335	1.7
115.03888	1.0
119.03374	0.6
121.02818	0.4
124.98669	0.4
125.02336	0.6
129.01830	2.5
133.02873	3.1
134.03632	8.5
135.04442	2.9
137.02341	3.8
142.99773	0.6
143.03409	1.6
143.10687	0.8
147.04420	0.5
149.02322	0.5
154.99759	2.1
155.03400	4.6
156.00069	0.8
157.00218	0.8
162.03093	0.7
173.04466	74.0
174.01151	0.7
174.04802	2.7
175.07603	0.4
177.01820	2.4
178.02615	10.6
179.03368	1.9
187.07593	0.5
191.05507	4.2
203.07149	0.7
204.07762	0.8
212.55623	0.4
231.10222	0.5
233.11847	0.6
247.76775	0.4
275.09262	1.6
307.11972	0.4
308.08926	0.8
313.16989	0.4
351.07266	0.9
352.07977	1.1
391.12933	1.2
399.58081	0.4
449.14502	44.3
450.14810	5.6
451.15121	2.3
471.16476	0.5
481.16861	26.6
482.17279	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96595	0.7
55.03526	0.6
57.03312	1.5
59.01239	3.2
60.99168	3.2
67.01764	11.2
68.02056	0.8
69.03321	2.8
71.01254	5.4
71.37457	1.2
73.96156	0.8
78.95786	0.6
81.03331	3.0
83.02407	0.7
83.04911	2.0
85.02807	0.8
87.00748	10.0
93.03332	71.6
94.03674	2.6
95.03364	0.7
96.88419	0.7
97.06477	2.4
97.07760	0.6
99.00755	0.8
99.04405	1.3
105.03297	0.9
109.02810	1.1
111.00757	0.9
111.04391	12.2
113.02332	1.7
121.02759	1.1
129.01813	2.0
133.02864	11.9
134.03641	49.2
135.04465	6.7
137.02348	12.1
139.03931	2.4
150.03195	0.9
152.99509	3.2
155.03389	7.9
156.03746	0.7
173.04471	100.0
174.04788	4.0
177.01857	19.1
178.02629	57.7
179.03323	7.2
191.05515	2.2
231.10191	5.0
275.09268	20.6
276.09518	2.1
307.11847	26.6
308.12225	3.1
372.09064	0.8
449.14392	7.1
450.14584	1.9
466.98349	1.0
481.17145	27.4
482.17511	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
58.84730	0.7
59.01245	4.9
60.99171	6.4
61.25993	0.8
67.01762	15.9
69.03341	5.3
69.51331	4.1
71.01253	5.0
81.03351	2.6
82.15334	0.8
83.04914	2.2
85.02819	1.5
87.00748	19.3
93.03336	100.0
94.03672	3.6
99.00772	2.7
99.04406	1.4
105.59816	0.8
109.02818	1.2
111.04407	14.2
113.02342	1.9
115.03916	1.2
129.01814	3.2
133.02846	2.6
134.03653	10.5
135.04422	5.7
137.02315	4.0
143.03484	0.9
151.03941	1.1
152.99435	0.8
155.03419	4.0
161.02408	0.9
162.03255	0.8
173.04482	85.1
174.04832	3.7
177.01816	2.4
178.02643	11.4
179.03419	3.3
182.24121	0.8
191.05562	3.9
204.07858	0.9
256.94696	0.8
269.90051	0.8
275.09286	1.9
311.63391	0.8
352.07693	1.5
362.13516	1.0
370.58011	0.9
449.14502	32.7
450.14697	5.1
481.17068	23.6
482.17505	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01249	5.9
60.99173	5.0
61.98697	0.9
62.93013	0.3
65.03833	0.4
67.01758	13.6
68.03539	0.3
69.03328	4.5
69.21692	3.1
71.01253	5.9
73.02818	1.4
73.25913	0.3
74.53526	0.3
77.61323	0.3
77.66346	0.3
81.03329	2.9
83.01237	0.3
83.04910	3.0
85.02824	2.2
87.00749	21.2
88.01077	0.4
89.02314	1.2
93.03333	100.0
94.03675	3.1
95.01239	0.4
97.02868	0.5
97.06461	3.2
99.00757	1.9
99.04396	1.7
101.02329	1.0
105.03329	1.1
106.04127	0.4
109.02818	2.0
111.00734	0.7
111.04398	16.7
112.04710	0.7
113.02332	2.5
115.03910	0.6
121.02834	1.3
127.03865	0.7
129.01820	2.6
131.03279	0.3
133.02846	11.1
134.03627	53.8
135.04440	14.2
135.05991	0.4
136.04741	0.5
137.02339	8.5
139.03891	2.7
143.03383	0.7
149.02367	0.9
149.04453	5.5
150.03085	0.7
155.03397	7.4
159.04436	0.4
161.02336	0.7
162.03122	1.5
165.01842	0.3
167.44769	0.3
173.04468	82.8
174.04782	3.1
175.03886	0.5
175.07626	0.4
177.01849	15.6
178.02628	56.5
179.03387	11.2
180.03786	0.5
187.03949	0.4
187.07591	0.6
191.05518	7.1
199.82999	0.3
203.07060	0.3
203.10738	0.6
204.07838	0.3
213.09077	0.7
231.10219	6.9
232.10716	0.4
234.94838	0.3
257.08362	0.7
258.45831	0.3
263.12781	0.5
275.09253	20.5
276.09552	1.5
307.11853	30.9
308.12231	3.0
449.14517	8.9
450.14868	1.1
481.17130	44.9
482.17480	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17065	0.3
59.01249	0.8
64.64820	0.4
69.68137	2.4
71.01251	0.5
73.21568	0.4
81.03355	0.5
83.04897	1.4
83.81128	0.4
85.02815	0.6
87.00748	0.6
93.03344	3.6
95.80670	0.4
97.06469	4.9
105.03378	0.5
109.02851	0.5
111.04394	4.1
129.01831	0.4
133.02853	4.1
134.03632	100.0
135.04509	7.6
137.02341	1.7
139.03958	0.9
149.04446	0.4
155.03413	4.2
173.04478	7.8
177.01846	6.3
178.02629	18.3
179.03232	1.7
187.07678	0.6
191.05565	4.0
231.10272	3.4
275.09277	4.3
307.11865	96.7
308.12238	7.9
481.17139	4.0
482.17352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58473	0.7
56.31199	0.7
57.03328	10.6
59.01255	46.7
61.98701	5.2
61.98992	1.1
69.03329	1.5
69.17778	7.2
69.18201	1.4
69.22898	0.8
71.01256	13.5
72.99175	0.9
73.02821	13.0
83.01266	3.2
85.02834	4.9
86.05042	0.7
87.00763	3.1
89.01759	1.4
89.02322	27.5
93.03336	2.6
98.19851	1.8
99.00757	1.7
99.04400	9.6
101.02336	15.6
102.02680	0.8
103.03885	1.7
109.02857	1.0
113.02328	3.6
114.54683	0.7
117.03405	0.7
119.03420	6.3
123.17130	0.7
125.02345	3.2
131.03401	7.9
131.08153	3.7
133.02859	1.0
134.06021	0.7
135.04436	0.9
143.03415	1.7
149.04469	100.0
150.04794	3.3
152.86650	0.7
153.01826	0.9
161.02411	1.6
161.04485	4.5
161.05750	0.8
171.10210	1.5
173.04498	4.9
173.10356	2.7
178.70770	0.7
179.05505	1.7
185.06050	2.3
191.05539	10.0
200.04774	0.8
201.09331	1.3
201.11287	2.0
225.11264	1.1
229.08687	3.3
255.06564	1.0
261.10773	1.1
261.13437	15.1
262.13800	1.0
273.07828	1.9
287.09280	1.4
303.14566	5.7
305.10428	2.5
345.22614	0.9
346.23370	2.0
347.24197	7.8
361.18912	1.4
435.16876	1.4
479.15253	1.5
479.21280	2.2
486.70807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.5
59.01249	13.0
61.98687	2.8
69.99532	3.2
69.99937	1.8
70.16858	1.0
71.01257	3.4
73.02829	2.0
78.95779	14.9
83.04924	1.2
89.02316	2.0
97.06494	1.3
98.19908	1.2
99.08044	3.6
101.02303	2.0
109.06353	1.0
110.98392	8.7
113.09579	2.6
117.35852	0.9
121.02807	1.7
121.37906	1.0
125.09656	1.4
129.09117	5.5
142.08627	1.1
149.10944	1.1
149.70381	1.1
151.07509	1.3
152.99454	6.6
153.12808	1.5
154.26773	1.1
167.01085	2.5
169.12212	2.6
171.10233	1.7
181.12314	6.2
183.13808	4.3
185.02150	9.7
193.12326	1.6
197.11789	10.9
198.12186	1.1
199.13350	6.1
201.11316	2.8
207.10229	3.0
209.11758	1.6
211.13354	16.5
212.13754	1.2
215.12743	1.0
225.11304	3.7
253.09271	2.0
275.20270	1.3
293.21219	9.3
294.21561	1.5
296.20840	1.1
311.22269	100.0
312.22684	9.4
479.16983	1.5
479.24210	38.2
480.24548	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	478.2938
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
59.01244	1.2
61.98699	0.4
62.96246	0.5
71.50142	0.7
76.64487	0.4
78.95774	100.0
96.96842	9.0
152.99481	17.1
171.00554	19.3
172.00908	0.5
404.25623	1.6
478.29382	60.2
479.29727	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	479.156
Annotation	[1aR-(1aR*,5R*,7R*,10aR*,10bR*)]-2-(Hydroxymethyl)-, 5-(acetyloxy)-8-[(acetyloxy)methyl]-1a,2,3,4,5,6,7,9,10a,10b-decahydro-1a,5-dimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester 2-propenoic acid
Peak:m/z	Relative Intensity
54.38824	0.6
55.01757	7.6
57.03056	0.9
57.03326	16.7
59.01253	25.1
61.98695	1.8
65.03809	0.7
67.01755	0.9
68.99687	1.2
69.03320	2.2
69.17058	5.3
69.17479	2.1
71.01252	8.5
72.99168	3.2
73.02826	1.1
79.05406	1.6
81.03323	1.0
82.91797	0.6
83.01251	12.1
83.04910	3.2
85.02810	3.9
86.22471	0.6
87.00748	1.4
88.75680	0.6
89.02289	0.7
93.03337	2.4
95.01250	2.8
95.04886	1.8
96.99178	1.4
97.02826	1.6
97.06490	1.1
98.75629	0.6
99.00762	5.0
99.14568	0.7
101.02341	0.8
106.04205	0.8
107.04890	2.9
108.02028	1.0
109.02826	2.3
109.06470	1.2
109.99969	0.8
110.22584	0.8
111.00758	3.5
111.04431	0.8
113.02427	0.8
115.00261	2.4
119.08542	2.7
121.02851	1.6
121.06479	2.1
122.03617	0.7
123.00763	1.7
123.04407	2.3
123.08054	0.9
124.01526	1.4
124.98687	8.6
125.02310	1.6
125.06056	0.6
127.00249	2.2
129.01825	1.4
133.06483	1.1
133.10138	0.9
134.03595	1.9
135.04390	1.8
135.08073	1.1
137.05971	1.0
137.99486	3.7
140.98195	1.9
141.99025	1.0
142.99757	13.7
147.08089	1.3
152.98141	0.9
154.99768	56.9
156.00075	2.0
157.06494	1.2
161.05959	1.5
163.07562	2.1
171.08005	1.0
173.00833	26.3
173.02347	1.3
173.09695	0.7
175.03783	0.7
175.07556	1.3
185.09633	1.4
187.11180	1.9
201.09122	0.8
207.13873	1.3
217.12482	0.7
233.11789	9.6
234.12122	1.5
245.11806	0.8
245.15440	1.0
251.12886	1.0
255.13815	0.8
271.13498	1.1
272.13611	0.7
273.15112	0.8
289.14401	1.0
301.14413	1.7
317.13959	5.8
318.14383	1.0
327.12418	1.8
329.13937	0.7
333.13144	1.1
345.13416	3.9
357.13553	1.8
371.11273	1.8
375.14420	0.9
389.12442	23.3
390.12689	2.7
405.15784	1.5
419.13434	2.3
435.16428	0.7
439.37286	0.8
449.14545	43.7
450.14764	5.5
479.15576	100.0
480.15872	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	479.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
56.32773	0.6
59.01243	4.6
69.43316	3.0
69.43742	2.4
71.01251	2.0
71.04904	1.2
73.02823	1.5
74.79928	0.6
83.04910	1.0
85.02820	1.6
87.00771	1.1
89.02320	2.7
93.03311	0.7
95.04932	0.9
95.31435	0.6
97.02846	1.8
97.06461	4.4
99.00758	30.3
101.02351	1.8
113.02330	1.3
117.06987	2.3
119.04854	0.8
123.04425	2.1
123.08058	1.2
125.02365	0.8
127.11179	2.0
131.03395	1.1
135.04477	0.7
135.08038	4.8
141.09122	5.3
142.02634	1.4
149.04448	3.0
149.36539	0.6
153.07866	1.5
153.09117	25.2
154.09479	0.8
161.02353	1.5
171.10179	4.6
173.04486	1.1
179.07074	4.0
182.99619	0.7
185.08131	5.8
191.05545	3.8
197.06314	1.3
197.08128	27.0
198.08479	1.6
215.09195	100.0
216.09540	4.7
232.06569	0.8
317.12329	2.8
347.13449	40.3
348.13837	2.9
463.78436	0.7
479.17618	24.2
480.17859	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	477.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04998	0.5
55.68290	0.4
57.03315	1.0
59.01249	100.0
60.01590	0.9
61.98702	7.2
64.80664	0.5
69.03329	1.0
71.01255	4.9
71.02338	0.8
71.02680	1.0
72.99200	0.6
73.02831	1.4
78.95772	3.2
83.04858	0.9
85.02832	1.7
87.00777	1.3
89.02315	5.1
91.03866	3.6
93.03336	0.9
97.02841	0.7
97.06494	0.6
99.04366	0.5
99.08104	0.6
101.02325	3.9
107.40450	0.5
110.98425	0.9
111.04444	0.7
111.08077	2.0
111.98568	0.5
113.02319	1.2
119.03405	1.6
121.02823	0.6
125.02383	0.6
133.02852	5.7
134.03716	0.9
135.04401	4.6
137.02396	0.6
142.67165	0.5
149.04517	0.6
151.00201	1.1
152.99548	1.6
161.02353	15.9
162.02798	1.4
163.03966	1.1
165.01901	0.8
169.12312	0.8
171.10159	2.9
173.04510	1.0
173.05998	0.7
176.31133	0.6
177.01971	0.6
179.03438	1.2
179.05577	0.8
185.02106	1.0
187.07530	1.1
191.05499	3.4
193.01498	0.5
193.12340	1.3
197.11774	9.0
198.12163	0.8
199.07617	0.9
200.08353	3.6
201.05502	0.9
202.06316	0.6
209.11804	0.9
211.13271	1.0
217.08682	1.0
223.06046	0.7
225.15018	2.1
227.10782	0.7
238.08437	1.0
243.16020	1.0
249.07861	0.5
253.10901	0.7
255.10333	0.6
271.02490	4.7
275.09378	0.7
291.19806	1.7
299.01984	5.4
300.02444	1.1
309.20697	6.5
310.21045	0.5
314.04312	4.5
315.05069	3.2
325.23975	0.7
343.24878	21.1
344.25180	3.0
433.34372	0.6
477.09781	0.9
477.14200	3.8
477.22586	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	477.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
57.39166	0.4
59.01252	100.0
60.01598	1.3
61.00470	0.4
61.98702	2.5
69.03329	0.4
69.98838	1.5
69.99247	1.1
71.01255	3.5
72.99201	0.6
78.95789	2.0
83.04906	0.5
85.02844	1.3
85.52954	0.5
89.02320	2.4
90.63320	0.5
91.03871	3.5
93.03364	0.5
98.19949	0.5
99.08032	1.1
101.02352	1.9
110.98417	0.7
111.08071	1.7
119.03414	1.6
132.32115	0.5
133.02892	1.8
135.04414	1.3
159.04466	0.5
161.02359	5.3
161.06224	0.5
169.12273	0.6
171.10284	1.5
173.04536	0.6
177.01907	0.5
179.05566	0.7
185.02060	0.5
191.05678	1.3
193.12318	2.0
197.11742	5.3
199.07597	0.7
200.08450	1.7
211.13248	1.1
217.08730	0.7
219.08945	0.5
225.14853	3.0
243.16107	0.9
269.15643	0.7
271.02545	0.9
291.19733	0.8
293.21246	0.8
309.20752	4.5
310.21234	0.6
314.04382	1.0
315.05347	0.9
343.24890	30.0
344.25223	3.8
477.14236	2.0
477.22992	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01598	1.2
66.35471	0.2
70.63825	0.8
71.01272	0.7
85.02853	0.3
101.02338	0.6
108.39227	0.3
144.38397	0.3
161.02379	0.4
161.04527	0.4
375.24063	0.3
417.25000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64155	0.2
55.01752	0.2
57.03306	0.2
57.82038	0.2
59.01250	100.0
60.01581	1.2
61.98707	0.4
69.71404	0.5
69.71815	0.5
71.01233	0.9
73.02825	0.5
76.99628	0.1
80.39197	0.2
85.02800	0.4
88.66798	0.2
89.02330	0.3
99.04427	0.3
101.02332	0.6
108.22068	0.2
113.02329	0.4
131.03453	0.2
133.02878	0.2
152.07144	0.3
161.02386	0.7
161.04506	0.2
171.10205	0.3
173.04514	0.3
183.13797	0.2
191.05528	0.2
211.00049	0.2
235.17050	0.2
253.18103	0.4
271.19302	0.4
299.01981	0.4
302.39261	0.2
314.04413	0.3
315.04968	0.3
315.13800	0.2
345.22733	1.9
370.39740	0.2
375.24142	0.5
417.25287	0.2
426.28900	0.2
453.33664	0.2
477.27142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80192	0.4
52.56883	0.5
57.03321	0.6
59.01248	100.0
60.01588	1.3
61.98707	2.4
69.03336	0.5
71.01259	4.9
71.50751	0.6
73.02817	2.0
78.95779	2.0
81.32080	0.6
83.01277	0.6
83.04918	0.6
85.02821	0.7
87.00788	1.1
89.02316	3.1
91.03875	3.8
93.41183	0.6
97.06499	0.8
99.08078	0.8
101.02319	2.8
109.02804	0.7
110.98421	0.9
111.08076	1.1
113.02345	1.5
114.56499	0.5
119.03459	1.5
125.02357	0.5
133.02823	4.1
135.04395	2.4
148.05188	1.2
152.99507	0.7
159.04445	0.5
161.02361	7.8
161.04419	0.7
162.02872	0.6
169.12177	0.6
171.10204	2.2
173.04416	0.8
177.01883	0.6
179.03291	0.9
179.05603	0.9
185.02095	0.6
187.07651	1.0
191.05566	1.4
193.12283	1.4
197.11725	3.6
199.07635	0.8
200.08417	2.5
206.28616	0.6
209.11845	0.7
211.13405	1.2
217.08665	0.9
217.98795	0.5
225.14911	3.6
243.16132	1.3
251.44298	0.6
261.64688	0.5
269.15527	1.8
271.02563	1.5
283.26822	0.6
291.19638	0.9
293.95578	0.6
299.01987	1.5
309.20764	3.2
313.14529	1.2
314.04324	1.6
343.24875	28.8
344.25131	2.7
417.22797	1.0
435.23999	1.1
477.14072	2.7
477.23141	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01117	1.3
57.03317	1.7
58.00453	1.7
59.01251	18.5
71.01259	14.8
71.49337	1.4
72.99184	14.5
75.00747	100.0
76.01092	1.5
81.03319	1.8
83.01241	1.8
83.04888	5.3
85.02820	3.2
87.00738	2.2
89.02318	11.5
99.04393	5.2
101.02331	8.9
111.88956	1.4
113.02332	3.8
114.31571	1.3
115.03885	5.9
119.03383	4.8
127.03925	1.9
144.36436	1.6
145.04941	12.5
148.03879	1.7
154.03697	1.4
161.04533	1.6
181.05014	2.7
182.05244	1.9
183.05545	1.4
191.05505	1.6
253.07101	1.4
271.09808	1.6
466.59790	1.4
477.19803	91.8
478.20114	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73258	0.1
59.01250	100.0
60.01596	1.2
70.17481	0.7
70.25898	0.2
71.01254	0.5
73.02809	0.4
85.02831	0.3
89.02316	0.2
101.02341	0.7
113.02325	0.2
133.02927	0.2
161.02414	0.4
181.23047	0.2
182.40660	0.1
199.03851	0.2
328.13336	0.2
345.22757	0.3
375.24020	0.4
390.76971	0.2
417.25171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
69.47953	12.6
69.48379	20.5
71.01254	60.5
72.99177	28.4
73.02828	10.6
75.00735	10.8
81.03309	4.1
83.11219	4.3
85.02824	21.9
87.00742	8.6
87.15172	4.9
88.98679	5.2
89.02318	69.1
90.01839	11.8
91.00249	50.1
99.00745	10.9
101.02329	32.2
106.41231	4.2
113.02320	21.4
119.03381	20.2
131.03398	5.7
139.07486	8.6
149.04507	10.9
150.03148	5.6
153.09125	10.9
161.02356	11.5
161.04475	14.8
166.45354	4.2
179.05486	14.1
191.05537	6.8
195.06593	3.9
234.21840	4.5
240.10173	6.4
244.82915	4.1
283.10962	12.4
327.90613	5.2
345.11264	6.7
345.15384	12.5
405.09521	4.8
453.93051	4.9
477.19772	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	477.1612
Annotation	Scroside D
Peak:m/z	Relative Intensity
56.98254	1.7
59.01245	38.1
66.25065	1.6
71.01242	17.1
71.49180	2.8
72.99140	1.6
83.87238	1.7
89.02313	21.2
101.02317	23.7
113.02282	3.8
119.03374	19.6
135.04408	63.8
135.05453	3.1
136.04700	1.9
224.57372	1.5
233.36499	1.5
315.10834	100.0
316.11206	7.8
364.46466	2.2
396.19193	1.6
477.16080	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07223	0.9
58.00475	1.2
59.01250	99.4
69.03320	1.3
71.01257	29.9
71.49455	0.9
72.99188	2.1
73.02823	6.4
75.00746	2.6
81.03362	0.9
83.01268	2.3
85.02818	8.2
87.00745	2.1
89.02317	21.0
93.03276	0.9
93.35945	1.1
95.01287	1.9
96.95901	2.2
97.02831	2.9
99.00748	5.9
99.04392	0.9
101.02320	10.2
113.02335	6.2
115.03898	3.4
119.03405	2.5
121.02835	9.7
125.02335	10.2
129.28012	0.8
131.03380	2.7
133.04961	2.8
135.04416	2.8
143.03406	2.0
149.04417	1.8
153.01839	9.3
159.02995	1.5
161.02379	1.2
161.04466	15.9
166.06265	73.9
167.06578	4.2
168.04202	5.5
173.04333	1.7
179.05518	1.1
180.38705	0.9
181.08621	100.0
182.05153	1.0
182.08897	5.0
183.06596	1.9
191.05550	3.5
233.06627	7.1
235.08237	10.1
252.47694	0.9
293.08850	6.7
294.09314	1.2
318.10602	1.2
417.17480	6.4
477.14771	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02679	0.7
59.01252	11.0
69.25538	7.7
93.03289	0.8
97.02837	1.3
100.09035	0.7
109.02827	2.4
117.89234	0.8
121.02853	4.0
133.02835	0.8
165.01839	11.5
193.01350	3.2
199.03891	3.2
201.01811	0.9
215.03391	2.4
226.02725	1.7
227.03366	3.5
228.03972	1.2
243.02989	6.8
254.02113	2.6
255.02924	2.8
269.04510	2.3
271.02460	74.9
272.02863	6.8
285.03979	2.2
287.05640	0.9
299.01947	96.4
300.02475	15.5
314.04303	92.0
315.05051	78.5
315.18042	2.3
316.05389	6.1
357.06064	0.9
469.02737	0.7
477.10349	100.0
478.10666	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40314	0.7
57.03308	1.6
58.29465	0.7
59.01252	16.1
59.31474	0.6
61.98677	2.2
71.01266	5.0
71.50427	0.8
72.99158	0.8
73.02806	1.0
85.02802	2.7
89.02303	4.0
90.98427	1.0
93.03280	1.1
99.04356	1.1
101.02293	4.4
112.70443	0.8
113.02278	2.2
119.03348	1.5
121.02824	0.7
123.04382	1.3
125.02308	1.3
131.03377	1.0
133.02847	6.4
135.04422	4.5
145.02798	2.3
149.04430	1.0
151.00218	1.9
154.60371	0.7
161.01108	1.0
161.02357	17.7
161.04390	0.9
162.02649	0.9
163.03862	0.7
167.54639	0.7
169.01292	0.8
171.10129	2.3
173.04420	1.5
179.03424	0.9
187.07419	0.8
190.90926	0.7
191.05515	3.8
195.13803	0.7
199.03983	3.8
199.09550	0.7
199.13289	1.2
201.11235	1.9
203.03305	1.1
215.03401	3.8
227.03325	3.0
242.02205	8.6
243.02948	37.0
244.03276	3.6
257.02286	1.0
257.04578	11.2
258.04932	0.9
270.01672	9.9
271.02460	41.5
272.02945	3.3
272.05487	0.7
285.01050	1.4
285.04034	22.1
286.04745	7.0
299.01923	10.3
300.02722	4.1
301.10748	1.2
314.04309	42.5
315.04996	10.2
315.10663	2.0
316.05219	1.0
319.57779	0.8
345.22803	12.3
450.14868	1.1
477.10098	100.0
478.10550	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99495	0.3
52.97016	0.3
56.32349	0.3
69.23698	2.8
78.36462	0.3
78.95775	100.0
79.13638	0.2
79.57689	0.3
95.03961	0.3
96.96838	8.0
100.58597	0.3
128.17477	0.3
139.59584	0.3
140.01093	0.5
152.99493	18.6
153.99799	0.3
171.00558	19.3
214.04803	0.3
279.23380	0.3
311.64691	0.3
374.26797	0.3
402.24081	1.7
476.27814	68.5
477.28091	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42030	0.4
57.77977	0.3
69.48953	2.6
70.23452	0.4
78.95779	100.0
80.75065	0.4
96.06989	0.3
96.95919	0.4
96.96842	8.5
98.20459	0.6
114.17071	0.4
126.05610	0.4
140.01082	1.8
152.99500	15.4
165.01605	0.4
171.00565	17.5
188.00394	0.4
192.24701	0.4
196.03741	4.1
202.63232	0.4
214.04822	1.3
239.99480	0.5
279.23306	32.8
280.23514	3.4
402.24292	1.4
462.00571	0.4
476.27823	59.0
477.28122	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	476.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
62.96300	0.6
69.01696	0.4
70.51888	1.6
78.95778	80.8
88.16166	0.4
96.96849	6.8
98.03259	0.4
107.19449	0.4
132.10213	0.4
138.79922	0.5
140.01071	2.3
152.99496	13.9
171.00562	15.6
189.13098	0.4
196.03786	0.9
214.04871	2.8
229.03088	0.5
238.85059	0.5
265.42746	0.6
279.23294	100.0
280.23636	9.7
402.24335	1.4
420.95020	0.5
476.27820	50.0
477.28220	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	476.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17026	0.5
59.01250	38.4
60.01580	1.9
60.99175	1.3
61.98694	1.0
62.37194	0.4
67.01755	2.4
69.03320	1.2
71.01252	4.0
71.50622	0.6
71.50983	0.5
71.85558	0.5
73.02816	1.8
81.03339	0.9
82.03639	0.6
83.04890	0.9
85.02821	7.3
87.00747	4.8
89.02326	1.0
93.03336	19.4
94.03658	0.7
95.01187	0.6
97.06470	0.6
99.00765	0.6
99.04384	0.6
100.46169	0.4
101.02305	2.8
105.03329	1.0
109.02834	1.2
111.04414	3.9
113.02312	1.1
116.92736	1.8
119.03412	0.5
121.02833	1.0
123.04404	0.8
127.03902	1.8
129.01865	0.8
131.03426	0.6
132.02060	2.6
133.02852	11.5
134.03627	7.4
135.04420	7.1
137.02344	4.4
139.03911	0.7
149.02272	0.9
149.04388	1.0
150.03125	0.5
151.03902	1.3
153.01794	0.5
155.03468	0.9
156.98474	0.5
160.01573	12.1
161.02359	7.4
161.04465	0.7
162.03104	2.1
164.04608	1.0
173.04460	8.5
175.03845	0.5
177.01828	9.5
178.02643	5.0
179.03384	2.9
179.07002	0.8
187.07622	0.9
191.05537	100.0
192.05876	3.3
202.66446	0.4
203.03461	0.6
213.09148	0.6
231.10213	2.0
257.08163	6.2
270.13330	0.7
271.02463	0.9
271.19028	0.6
272.19534	0.5
275.09235	11.7
299.01917	1.5
314.04263	1.4
315.05252	0.6
327.22067	0.6
341.08792	0.5
344.24536	2.5
345.26556	1.2
351.07242	4.2
352.07913	1.3
449.14502	43.0
450.14923	5.7
476.15765	6.4
477.14960	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	476.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
57.19472	0.5
58.70583	0.4
59.01250	100.0
59.42165	0.4
60.01587	6.8
61.01672	0.7
61.98713	2.5
67.01804	0.4
71.01251	4.3
71.30367	0.5
71.30698	0.6
73.02823	2.4
74.26892	0.5
77.03836	0.5
82.43021	0.4
83.01289	0.6
83.04905	1.5
85.02836	1.3
87.00760	0.8
89.02317	2.1
89.03873	0.6
91.02941	0.5
93.03333	4.5
95.04908	1.5
97.06470	2.0
99.00763	0.5
99.04414	0.6
101.02321	2.3
105.03327	5.9
107.98483	0.5
109.02845	1.0
111.04398	4.1
113.02335	1.5
117.03352	1.9
121.02837	2.2
123.04411	2.0
125.02371	0.5
129.01831	0.6
131.03351	0.6
131.66534	0.5
133.02850	28.6
134.03638	25.6
135.04431	9.9
137.02341	8.8
139.03929	3.2
149.02310	0.9
149.04489	1.3
150.03110	1.3
150.62885	0.5
151.03903	0.7
155.03409	3.9
160.01442	0.5
161.02357	1.3
161.04465	1.1
165.01846	0.7
172.02748	0.6
173.04491	10.1
177.01854	25.6
177.86902	0.5
178.02632	26.6
179.03133	1.7
181.12280	1.2
182.12570	1.1
187.07637	2.3
191.05536	4.9
203.10719	0.9
205.08662	0.5
213.09140	1.4
225.11278	1.6
226.11668	1.6
231.10216	31.7
232.10521	2.6
257.08231	1.1
267.09735	0.5
271.02460	1.8
275.09247	66.5
276.09598	4.9
299.02020	1.8
302.10565	0.8
314.04254	2.1
315.05014	2.0
327.21686	0.5
343.17599	0.7
343.21283	1.9
344.21408	1.9
345.22769	3.9
351.07034	0.6
359.74289	0.5
410.62827	0.5
415.23535	0.7
416.23630	1.5
417.24536	0.8
449.14523	25.8
450.14899	3.0
476.15637	4.2
476.25748	1.2
477.09891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86018	0.3
57.03319	0.8
59.01251	100.0
60.01587	7.2
61.01675	0.8
61.98701	1.8
63.02273	0.9
65.00193	1.6
67.01783	0.3
71.01257	4.3
73.02817	2.5
81.03345	0.4
81.43288	0.2
82.49584	0.3
83.01264	1.4
83.04897	1.1
85.02812	1.9
87.00755	0.9
89.02322	2.2
93.03326	3.4
94.03655	0.4
95.04886	1.0
97.02843	0.5
97.06470	0.5
99.00745	0.6
99.04401	0.5
101.02316	3.9
102.02707	0.4
105.03343	1.1
107.01237	2.2
108.01563	0.5
111.04404	2.2
113.02329	1.7
114.02678	0.3
117.03327	0.9
119.03410	1.0
119.04912	5.0
120.05263	2.2
121.02859	0.5
125.02350	0.6
129.01819	0.6
131.03404	0.6
133.02843	3.8
134.03636	6.9
135.04425	3.2
136.01422	0.3
136.90685	0.3
137.02306	0.8
138.25133	0.3
145.02873	0.4
149.02394	0.3
149.04466	1.0
150.99149	0.5
151.00278	6.7
152.00604	3.3
155.03419	2.6
161.02357	1.1
161.04434	1.9
162.04759	0.3
163.11147	0.3
164.00995	0.4
165.01872	0.5
169.01282	0.4
170.01767	0.3
171.10201	0.8
173.04462	5.6
173.05852	0.5
177.01878	1.9
178.02534	2.5
179.03432	0.5
179.05472	0.6
181.12280	2.7
182.12578	2.0
185.86282	0.3
187.07625	0.5
191.05498	2.9
192.06032	0.3
209.11751	0.6
210.12009	0.3
211.13269	0.5
225.11295	0.9
226.11639	0.8
229.14453	0.9
231.10217	13.1
232.10582	1.1
235.08217	0.4
257.08200	0.7
267.09775	0.4
271.06113	7.9
272.06470	14.7
273.06647	1.1
275.09250	43.6
276.09622	3.7
288.10229	0.3
302.10345	28.7
303.10687	2.5
315.05234	0.5
326.07217	0.3
343.21225	5.5
344.14297	0.9
344.17969	0.5
344.21582	5.5
345.18939	0.3
345.22708	1.6
373.22189	0.5
374.22635	1.0
415.23389	1.8
416.23718	3.2
417.24780	0.4
424.21097	0.3
434.24561	0.4
435.25824	0.3
449.14526	1.3
475.25067	0.4
476.13293	4.6
476.25098	1.3
477.13855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
56.50958	0.2
57.03315	1.1
59.01249	100.0
60.01589	4.1
60.99180	2.6
61.01668	1.2
61.98700	1.5
67.01761	7.5
69.03319	2.0
71.01252	5.5
71.50523	0.2
71.50942	0.5
73.02822	1.7
80.67377	0.3
81.03329	1.5
83.01256	0.9
83.04903	1.3
84.01553	0.3
85.02819	1.6
87.00748	7.8
89.02307	1.1
93.03332	48.5
94.03689	1.1
95.01302	0.3
99.00747	0.8
99.04391	1.0
101.02322	2.4
101.38274	0.3
109.02829	0.8
111.00831	0.4
111.04405	6.8
113.02332	1.8
115.03947	0.4
117.03334	0.4
125.02363	0.3
127.03912	0.3
129.01845	1.0
131.03450	0.3
133.02870	1.6
134.03615	1.2
135.04424	1.1
137.02357	1.5
143.03355	0.6
149.04431	0.4
155.03423	2.7
161.02365	2.8
161.04469	0.5
173.04468	52.0
174.04813	2.0
177.01971	0.3
178.02654	0.5
179.03377	0.5
191.05563	2.0
196.00676	0.3
211.85190	0.3
227.12833	0.5
231.10278	2.3
275.09277	3.6
276.09552	0.3
302.10294	1.8
314.04349	0.3
319.56860	0.3
343.21216	0.5
344.21579	0.8
415.22824	0.3
449.14536	15.8
450.14734	2.1
476.15585	10.8
477.15176	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53325	0.3
59.01249	100.0
60.01590	1.3
61.71824	0.3
69.44049	1.7
69.44466	0.7
71.01256	1.1
73.02817	0.9
89.02331	0.5
98.19899	0.7
101.02348	1.0
113.02335	0.4
161.04515	0.4
232.12856	0.3
343.21420	1.1
392.84863	0.3
460.78647	0.3
475.25922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03324	1.1
58.00471	1.9
59.01251	100.0
60.01590	1.7
61.98705	1.5
67.02281	0.3
69.03335	1.9
70.89115	0.7
71.01254	42.3
72.01606	0.6
72.99177	1.8
73.02818	65.2
74.03152	0.7
75.00749	0.8
81.03333	0.5
83.01257	17.0
83.04900	0.4
85.02830	5.0
87.00745	1.8
89.02319	12.1
93.03340	0.6
95.01233	1.9
97.02836	1.1
99.00751	1.2
99.04395	0.9
99.73897	0.2
101.02323	56.7
102.02666	1.2
111.04357	0.5
112.00276	0.3
113.02332	17.9
114.02642	0.3
117.01848	0.4
119.03395	7.2
121.02792	0.5
125.02337	2.5
131.03392	5.0
131.04295	0.5
131.09557	0.2
133.02858	3.2
134.03645	3.0
135.04462	0.9
137.02359	1.2
139.03893	0.4
143.03401	5.4
149.02516	0.5
149.04456	9.9
150.04797	0.3
155.03392	2.0
161.02541	1.4
161.04469	18.9
162.03123	2.8
162.04677	0.6
173.04497	1.2
177.01863	2.4
178.02576	1.4
179.05484	1.3
179.14357	1.1
191.05524	2.4
197.15385	0.6
203.05554	2.1
205.15936	0.4
211.47594	0.3
217.16037	0.3
219.13837	0.7
221.06621	5.7
224.91998	0.3
231.10179	0.4
233.15364	0.3
235.16994	2.1
241.01253	0.3
253.18134	1.8
271.19135	16.2
272.19424	1.3
275.09253	9.7
295.10852	0.3
313.11816	0.4
367.74249	0.3
415.23395	7.7
416.23386	0.8
433.24432	9.5
434.24933	1.3
449.14462	3.2
475.25452	48.4
476.15421	1.0
476.25800	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55843	0.4
59.01249	100.0
60.01582	1.3
66.34435	0.4
67.01749	2.1
69.03340	0.4
70.47213	1.3
71.01263	1.6
73.02810	0.7
87.00771	1.7
88.00135	0.4
89.02294	0.5
93.03328	11.0
101.02322	1.0
111.04398	2.1
131.41234	0.4
134.03654	0.4
155.03493	0.6
155.04950	0.4
161.04523	0.4
173.04460	11.3
231.10214	0.7
260.82504	0.4
275.09354	1.0
343.21353	0.9
449.14441	3.5
476.15573	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04022	0.3
59.01249	100.0
60.01582	1.0
65.55770	0.2
69.26452	0.6
69.26856	1.9
71.01242	2.0
73.02825	0.7
85.02834	0.7
87.00747	0.3
89.02336	1.1
90.35030	0.2
101.02348	1.2
113.02352	1.0
114.10052	0.3
119.03432	0.5
133.02861	0.6
135.04442	0.7
161.02423	1.7
161.04497	0.8
171.10283	0.3
179.03468	0.7
191.05612	0.4
203.03514	0.3
211.71422	0.3
232.07678	0.3
343.24799	0.5
355.21219	1.3
373.22382	2.9
415.23431	2.4
416.23666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	50.7
61.98695	7.0
62.98095	6.7
71.01247	20.3
71.49850	8.2
78.95779	12.6
89.02287	11.3
99.99622	7.0
139.27145	7.4
277.21780	100.0
278.21841	12.0
279.23346	42.4
319.22726	12.8
475.25674	12.6
476.27859	8.4
482.23737	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03315	3.1
58.00461	0.8
59.01250	100.0
60.01583	0.9
71.00860	0.8
71.01253	11.6
73.02826	3.4
73.76817	0.5
75.00732	0.5
83.01258	0.9
85.02830	2.4
87.00738	1.0
89.02310	10.2
95.01257	0.7
99.00759	0.9
99.04400	4.1
101.02318	9.5
102.02572	0.5
113.02325	5.7
119.03394	5.7
125.02360	2.1
131.03409	1.0
143.03438	1.8
144.55360	0.7
149.04523	1.3
161.02373	1.6
161.04462	8.1
166.65573	0.5
179.05518	3.6
191.05579	1.5
191.22571	0.5
214.10667	0.7
231.10313	1.1
275.09305	2.2
415.23373	18.8
415.28806	1.0
416.23663	3.1
433.24442	0.7
475.26321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	72.2
62.58589	10.6
69.32976	100.0
72.96160	10.3
78.95783	48.8
98.19714	18.6
152.99405	12.7
270.64694	11.1
277.21722	16.5
279.23172	24.9
291.23026	13.8
305.85486	11.1
340.23749	11.0
401.23315	13.7
474.35565	16.1
475.26627	19.0
475.35538	30.8
476.27496	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	81.7
62.60793	2.6
69.03330	3.5
70.78056	4.0
70.78425	4.4
71.01257	47.8
71.04889	4.5
72.99184	27.8
73.02815	6.3
75.00751	21.4
81.03351	2.2
83.04877	11.3
85.02819	16.8
87.00757	5.9
89.02328	43.5
95.01282	4.1
95.04915	3.2
97.02840	7.1
99.00755	5.7
99.04395	9.1
101.02321	25.3
109.02837	12.4
109.06487	4.1
111.04414	20.0
113.02341	20.8
115.47320	1.8
119.03433	17.9
119.04914	3.8
121.02853	6.9
121.06501	7.8
123.08031	3.5
125.02335	6.8
127.03812	2.6
131.03401	2.9
135.04414	11.4
137.05989	36.7
138.06378	2.5
139.07520	3.3
143.03407	13.5
145.04950	2.2
149.04497	5.0
161.02386	2.9
161.04483	5.5
167.03424	6.0
173.09653	18.2
174.09882	2.6
179.03467	4.2
179.05513	10.6
179.07013	4.0
181.05000	100.0
182.05318	9.1
217.08675	3.2
232.11092	2.9
233.11880	2.5
273.08160	2.1
281.13956	5.5
297.13538	7.0
315.14468	7.0
343.10263	25.1
431.19189	8.1
457.17026	8.0
475.18793	74.2
476.18698	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	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56834	0.4
58.36876	0.4
59.01252	37.0
66.57721	0.4
69.50079	2.5
71.01252	3.1
73.02830	0.7
85.02827	1.7
89.02336	2.0
95.01226	0.3
101.02316	1.0
113.02329	2.6
128.55109	0.3
135.04387	0.9
141.09114	0.5
145.02765	0.5
146.03644	27.3
147.04060	1.1
161.04485	1.4
161.05977	11.4
162.06287	0.7
164.04709	21.3
165.05051	0.8
179.07060	100.0
180.07413	6.4
235.08215	0.5
415.16113	1.5
475.17102	2.5
475.23492	0.6
482.39746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
58.00460	1.3
58.86732	0.6
59.01250	45.7
59.95403	0.6
60.01570	0.8
61.98701	100.0
62.98412	1.5
62.99135	0.9
63.99115	1.8
71.01254	27.4
72.99195	2.7
73.02822	7.0
75.00732	0.6
83.01254	1.0
85.02826	3.7
87.00749	3.2
89.02319	38.4
93.03370	1.6
95.01261	1.0
97.02855	1.1
99.00748	12.8
101.02324	17.3
110.27016	0.6
111.00771	0.8
113.02338	5.2
117.15130	0.8
119.03401	4.2
120.99575	1.1
121.02844	1.4
125.02319	3.0
131.03398	7.7
133.02837	2.1
134.03616	0.9
134.05974	1.4
135.04453	2.3
137.02344	1.0
143.03427	1.5
148.03984	0.9
149.04463	31.2
159.04424	1.4
161.02330	3.6
161.04526	2.6
173.04501	0.9
173.05986	0.9
175.04015	0.9
179.05530	2.0
179.13646	0.8
187.07581	4.5
191.05530	10.3
191.07135	1.2
192.05992	0.7
202.06371	1.6
203.10706	0.7
221.06578	3.0
231.10297	2.2
251.07678	3.8
267.11758	0.7
275.09308	9.8
287.46964	0.7
293.08981	0.7
295.11038	1.9
298.56055	0.7
311.10043	1.1
315.10587	0.7
343.21448	1.0
384.50717	0.7
412.17093	2.1
415.16071	19.8
415.23660	1.3
416.16513	2.8
449.14423	3.7
475.17380	7.5
476.17239	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	475.1246
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
57.03313	1.2
59.01250	26.9
60.01600	0.4
61.98694	1.1
63.02254	2.4
65.00195	6.9
69.03323	0.5
71.01250	3.3
71.50540	0.6
73.02808	4.0
75.00736	0.7
83.01260	4.3
83.04884	0.7
85.02818	1.2
85.06437	0.3
87.00732	0.4
89.02318	1.8
93.03334	8.5
95.04904	1.0
97.06461	0.5
99.04439	0.7
101.02322	1.7
107.01273	12.2
108.02067	0.4
109.06434	0.6
109.49818	0.3
113.02321	1.2
117.01846	0.5
119.04916	33.8
120.05244	1.2
121.02839	0.9
122.84662	0.4
123.04470	0.5
125.02336	1.6
127.58402	0.4
131.03377	0.6
133.02841	0.4
135.00784	0.5
135.02875	2.8
135.04405	0.7
135.07970	0.5
145.51776	0.3
149.02373	0.3
149.04446	1.4
151.00275	36.8
152.00627	1.4
161.02376	1.1
161.04552	0.6
163.11194	1.3
164.01111	0.5
165.01863	2.5
166.53116	0.3
169.01357	1.9
171.10197	2.3
173.04456	0.6
175.00247	1.0
177.01859	5.6
178.02225	0.6
181.12262	20.3
182.12579	1.1
185.11745	1.0
187.03897	0.4
191.05495	1.9
193.01375	1.0
201.11339	0.4
207.10217	0.5
209.11766	2.2
211.13371	1.1
223.13332	0.7
225.11275	7.1
225.14813	0.8
227.06953	0.6
229.14374	1.0
249.14880	0.4
271.06113	100.0
272.06445	8.0
275.09216	0.5
283.19156	0.6
295.06342	0.5
302.10443	0.5
313.07117	2.0
325.20340	0.7
327.21729	1.4
328.22415	0.4
343.14218	6.2
343.21185	19.7
344.14328	0.6
344.21548	1.3
357.15536	0.8
415.10342	0.9
415.23361	2.0
439.12463	0.4
475.12347	1.4
475.18222	5.8
475.25494	4.6
476.18521	1.0
476.25635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37754	9.2
56.71918	8.9
57.27499	7.5
59.01251	100.0
61.98713	11.2
64.24487	8.1
66.96606	8.3
71.01231	27.7
71.49271	15.5
78.95762	11.0
89.02317	27.2
94.57820	7.6
95.04930	8.8
111.23164	7.9
121.50551	7.5
133.58679	9.7
179.05579	13.2
193.11469	7.7
277.21747	14.4
293.21191	35.7
354.10056	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27863	0.3
59.01262	1.3
61.68046	0.3
70.36551	0.6
78.95775	24.1
96.96837	1.5
101.05862	0.3
111.87178	0.3
126.63395	0.3
140.01089	2.9
152.99498	4.2
158.75252	0.4
169.62793	0.3
171.00555	3.5
196.03683	0.9
214.04846	3.2
248.95651	0.3
259.20563	0.5
261.38568	0.3
275.20297	0.4
276.05914	0.3
277.21719	100.0
278.19022	0.6
278.22076	11.4
354.66708	0.3
392.14682	0.3
400.22440	0.3
474.26266	17.7
475.26700	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.5
62.96272	0.3
78.95777	100.0
85.93412	0.3
87.42241	0.3
95.92805	0.3
96.96843	8.4
98.20590	0.6
99.26109	0.3
100.80894	0.3
106.99556	0.2
116.44631	0.2
140.01085	0.9
146.07619	0.3
147.24582	0.3
148.90584	0.3
150.97955	0.4
152.99489	15.7
153.99815	0.3
171.00560	18.0
196.03862	0.7
214.04716	0.4
226.42303	0.3
277.21713	7.6
278.22089	0.7
400.22620	1.4
474.26236	56.5
475.26593	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03321	1.8
58.00458	1.2
59.01250	100.0
60.01583	1.3
69.03316	1.7
69.29471	2.5
69.29886	0.8
71.01254	38.0
72.01601	0.8
72.99180	1.5
73.02818	56.0
74.03173	1.0
75.00739	1.0
81.03336	0.5
83.01257	15.3
85.02824	4.5
87.00751	1.5
89.02310	9.7
95.01276	1.7
97.02836	1.1
99.00766	1.2
101.02322	48.2
102.02652	1.4
113.01529	0.8
113.02327	15.0
117.01762	0.5
119.03392	5.8
124.43005	0.4
125.02352	2.2
127.03845	0.4
131.03372	3.8
135.04404	0.7
143.03407	3.8
149.04469	7.2
155.03346	1.1
159.11591	0.4
161.04469	14.1
165.12712	0.3
173.04459	0.6
177.12738	1.7
179.05515	1.3
191.05521	1.3
191.79846	0.3
195.13835	2.4
203.05521	1.5
209.06021	0.5
221.06622	3.6
233.15623	0.4
235.08258	0.5
251.16522	0.9
269.17596	5.1
341.19687	0.4
413.21713	4.8
431.22775	6.0
432.23129	0.4
473.23822	15.4
474.23798	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28710	0.2
54.21299	0.2
55.01748	0.3
57.03321	0.4
59.01249	100.0
60.01602	0.8
69.03323	0.4
69.22910	2.4
71.01250	8.0
73.02818	11.9
75.00764	0.4
83.01253	3.0
83.04897	0.2
85.02816	1.3
89.02327	2.0
93.03331	0.3
98.20573	0.5
99.23753	0.3
101.02322	10.1
113.02332	3.3
119.03362	1.3
125.02341	0.3
131.03401	0.6
143.03445	1.3
146.84340	0.3
149.04497	1.2
155.03430	0.3
159.11671	0.2
161.04465	3.8
167.02090	0.6
178.37683	0.3
191.05661	0.3
221.06706	0.9
251.16609	0.3
269.17636	1.0
338.63089	0.3
357.01563	0.3
371.20752	0.5
413.22025	1.1
431.23093	0.6
473.23779	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97917	0.3
57.03324	0.3
59.01254	100.0
60.01591	1.1
60.14810	0.2
65.06555	0.3
65.65285	0.3
69.03333	0.4
69.43747	2.2
71.01258	8.9
73.02822	14.6
75.00751	0.5
83.01263	4.1
85.02821	1.4
87.00764	0.6
89.02317	1.8
98.20538	0.6
101.02327	12.6
102.02731	0.4
113.02332	3.7
119.03418	1.2
125.02386	0.4
131.03433	0.9
143.03444	1.1
149.04456	1.7
155.03442	0.3
161.04482	3.6
164.79562	0.3
188.28749	0.3
221.06630	0.6
235.44080	0.3
269.17639	0.8
371.20721	0.6
413.22116	1.0
431.22681	0.6
473.23907	3.0
473.29068	0.3
474.24228	0.6
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
54.23712	0.2
54.25116	0.2
55.33545	0.2
59.01249	100.0
60.01592	1.1
69.50930	1.0
69.51337	0.4
71.01249	1.4
73.02824	1.8
83.01263	0.4
85.02851	0.6
89.02307	0.3
101.02335	1.3
110.22336	0.2
113.02314	0.5
113.14374	0.2
119.03449	0.2
143.03465	0.2
149.04446	0.2
161.04489	0.6
179.10701	0.5
269.17596	0.8
325.24490	0.2
372.90884	0.2
413.21994	0.2
420.99112	0.2
475.03851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78352	0.5
56.83361	0.6
59.01251	100.0
60.01596	0.9
61.98707	1.2
69.50876	3.9
69.51283	1.5
71.01257	7.5
73.02824	9.6
75.00752	1.1
83.01250	3.2
85.02843	2.1
85.71922	0.6
89.02332	3.7
94.24228	0.7
101.02319	7.8
102.33331	0.6
113.02352	2.8
119.03400	1.7
131.03397	1.1
133.10123	0.6
135.02925	1.7
135.11751	2.5
149.04468	4.5
161.04498	2.7
161.09671	1.7
179.10715	14.2
180.11179	0.9
191.05544	1.7
223.09711	3.8
226.14069	0.7
269.17551	1.4
341.12491	3.7
341.16095	1.5
342.23019	1.1
355.14050	1.0
371.20917	1.4
413.21637	1.2
431.22974	1.2
473.16946	3.8
473.24252	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76388	0.6
55.01773	0.6
56.72328	0.6
57.03334	1.0
58.00457	0.9
59.01252	100.0
61.98711	1.4
70.51382	2.3
71.01257	16.4
72.99186	1.8
73.02811	4.7
75.00742	1.2
81.03363	0.9
83.01257	2.1
85.02819	5.2
87.00751	1.9
89.02321	14.8
93.03339	1.3
95.01266	1.3
95.36798	0.6
98.19953	0.7
99.00776	1.6
101.02322	9.6
102.98464	0.7
107.95847	0.6
113.02333	6.8
117.03369	1.4
119.03378	6.3
119.04905	0.8
125.02322	0.6
128.03433	0.6
131.03413	1.3
132.02068	5.9
133.02841	1.1
134.03629	13.9
135.04437	1.3
135.06557	1.2
137.02309	0.7
139.03943	0.6
143.03410	2.1
147.04460	0.7
149.04460	2.3
149.05989	1.8
153.01904	0.6
160.01575	31.0
161.02121	2.1
161.04430	5.5
173.04483	0.8
175.03923	40.4
176.04280	2.8
179.03406	1.0
179.05530	4.8
191.05563	3.1
191.07034	1.0
193.05002	19.4
193.06781	0.9
194.05231	1.4
233.15405	0.6
235.06116	3.8
251.16458	1.3
269.17685	1.3
295.08426	1.1
312.12518	0.7
337.09317	1.1
413.21979	2.4
414.21899	0.8
431.22595	1.0
473.16602	37.8
474.17133	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92917	0.6
55.01757	0.8
57.03336	1.6
58.00456	0.8
59.01255	100.0
60.01586	1.0
61.98698	1.1
70.81686	1.7
71.01257	21.4
72.99209	1.1
73.02821	9.5
74.57114	0.6
75.00737	0.7
83.01252	3.3
83.04901	2.5
85.02821	7.6
87.00768	1.5
89.02324	9.0
93.03341	0.7
93.65137	0.6
95.01279	2.2
97.02812	0.8
98.08655	0.7
99.00777	1.1
101.02334	14.7
101.03017	0.7
113.02333	15.3
113.03072	1.1
114.01947	0.6
119.03413	3.9
125.02371	0.8
126.20287	0.7
131.03430	1.0
135.04506	0.9
139.07596	1.0
143.03455	1.2
149.04466	1.6
157.08720	1.5
158.09059	0.7
161.02330	0.8
161.04442	5.8
173.04498	0.7
173.16856	0.7
179.05606	1.6
191.05598	2.6
195.13814	0.8
199.09686	0.9
209.06039	7.6
210.06471	0.6
210.77559	0.7
221.06572	0.9
237.14735	0.7
251.16603	2.1
263.26395	0.6
269.17697	1.5
273.04797	0.6
303.06833	0.7
340.21329	1.1
341.13931	0.8
341.21729	3.6
413.21771	8.6
414.22513	1.2
431.22729	7.5
432.23465	0.8
473.18567	0.7
473.24869	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	473.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
59.01250	75.3
60.01599	1.3
61.98697	2.3
65.95863	1.0
69.03318	1.8
71.01255	26.8
71.50442	1.5
72.99180	1.1
73.02816	30.9
75.00752	2.2
83.01247	7.2
85.02826	8.3
87.00759	2.6
89.02315	12.4
95.01243	1.2
97.81508	1.0
99.00787	1.4
99.04385	1.6
101.02325	23.8
103.03879	1.8
113.02319	9.0
117.01910	1.0
119.03403	4.8
125.02336	2.0
131.03401	4.6
133.10100	6.1
135.02888	4.2
135.04401	2.8
135.06548	5.8
135.11691	24.0
136.11949	1.3
138.00633	0.9
139.53477	1.1
143.03410	1.4
149.04456	17.9
150.04773	1.2
161.04440	8.1
161.05611	1.2
161.09644	10.0
164.04701	1.9
173.04427	2.0
175.46942	1.2
179.07246	2.3
179.10696	100.0
180.11037	8.4
181.12283	2.7
191.05524	3.4
216.97215	1.1
221.06567	1.2
223.09746	6.5
225.11253	1.3
228.64349	1.1
246.56706	1.1
268.03732	1.8
269.17441	6.1
296.19293	1.2
341.12289	3.7
341.16080	14.4
341.19730	1.4
355.13950	2.2
413.21664	7.1
431.22925	5.1
473.15875	2.4
473.20511	8.7
474.20523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66952	0.6
50.90417	0.5
55.37986	0.5
59.01254	100.0
60.01597	1.1
61.98716	0.8
68.44005	0.5
70.81838	0.6
83.04904	0.6
94.55914	0.5
158.89093	0.5
229.75992	0.8
247.83102	0.6
275.05640	0.6
473.25543	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	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03333	0.8
58.00472	0.8
59.01254	26.2
61.98705	0.8
62.50908	0.3
64.91563	0.3
69.84548	2.0
70.65943	0.3
71.01254	10.6
72.99176	1.0
73.02827	2.6
75.00732	0.5
81.03358	0.6
83.01266	1.0
85.02817	4.0
87.00764	1.3
89.02329	7.5
89.02851	0.2
89.03839	0.8
91.54890	0.3
93.03345	1.6
95.01267	1.0
99.00768	1.0
99.04404	0.5
101.02325	6.2
105.03310	0.5
113.02344	4.8
117.03350	1.9
119.03423	2.4
119.04932	0.4
120.74924	0.4
121.02865	0.8
125.02332	0.7
131.03368	0.5
132.02066	15.8
133.02910	2.4
134.03638	34.0
135.02896	1.8
135.04047	1.5
135.06509	2.6
136.01495	0.5
137.02319	1.7
139.03943	0.4
143.03362	0.8
147.04440	1.1
148.05176	1.0
149.02399	0.6
149.04469	1.5
149.05994	5.2
151.03836	0.3
158.03717	0.4
160.01579	83.4
161.01929	3.8
161.04462	1.8
161.05653	0.3
162.13417	0.3
173.06033	0.7
175.03932	100.0
176.04378	5.8
177.01715	0.7
177.05428	0.6
178.02663	1.7
179.03391	1.2
179.05589	0.7
191.05560	0.9
191.07088	5.7
192.04230	0.4
193.05002	44.9
194.05359	2.6
207.06557	2.5
217.05026	0.5
218.65474	0.4
220.03665	0.8
235.06099	17.0
236.06421	1.4
259.58069	0.4
265.07098	2.3
269.17664	0.4
277.07162	0.8
295.08282	3.6
337.09290	1.7
355.10489	0.7
413.21790	1.2
431.22781	0.6
473.16660	79.2
474.17047	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	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
58.00454	0.7
59.01250	64.0
61.98681	0.7
64.97790	0.5
65.95749	0.3
69.42489	2.5
69.42895	0.5
71.00848	0.8
71.01250	14.8
72.99194	1.0
73.02818	4.7
75.00752	0.9
79.35032	0.3
81.03352	0.5
82.95891	0.4
83.01268	1.7
85.02823	6.5
87.00767	1.5
89.02314	11.0
89.03829	0.5
93.03340	1.6
95.01269	1.2
98.20629	0.6
99.00744	1.5
99.68990	0.4
101.02322	8.7
105.03305	0.5
107.04877	0.6
109.02889	0.6
113.02329	6.0
117.03352	2.9
117.05490	0.5
118.03675	0.4
119.03408	3.9
121.02785	0.7
121.41058	0.4
131.03378	0.7
132.02066	17.9
133.02925	2.2
133.03709	0.4
134.03632	35.3
135.02942	0.8
135.03906	0.7
135.04236	1.0
135.06548	3.5
137.02357	1.2
143.03372	0.8
147.04413	1.1
148.05217	0.6
149.04507	1.0
149.05978	4.1
151.03903	0.5
158.03644	0.5
159.02878	0.5
160.01570	88.8
161.01942	4.6
161.04459	3.2
169.52777	0.4
173.04520	0.4
175.03923	100.0
176.04337	6.1
177.05421	0.8
178.02655	1.5
179.03413	5.5
179.05539	1.5
182.50983	0.4
191.05492	1.5
191.07060	3.6
193.04993	46.6
194.05360	3.1
201.85434	0.4
205.98489	0.7
207.06628	1.5
221.00847	1.3
233.15373	0.5
235.06081	9.1
236.06355	0.8
251.05618	1.4
265.07135	1.8
269.10367	1.9
269.17593	0.6
277.07016	0.5
295.08127	2.5
309.45062	0.5
312.12170	0.6
337.09167	2.0
392.12231	0.9
413.21942	2.4
431.15875	0.5
431.22903	0.5
458.14267	0.5
473.16626	85.3
474.17026	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	472.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	30.2
60.01574	0.6
61.98705	2.6
69.03324	0.6
70.84003	1.0
70.84341	0.6
71.01251	2.9
71.04883	3.1
73.02814	3.9
81.03326	7.2
83.01281	0.5
83.04893	49.2
84.05237	1.4
85.02831	0.9
87.00735	0.7
89.02322	2.2
93.03320	0.7
97.06464	1.1
99.08004	0.6
101.02313	2.4
113.02297	1.4
113.09592	3.8
114.09131	2.5
114.09846	0.5
115.07527	15.2
116.60157	0.5
119.03371	0.6
127.03909	6.1
128.10710	1.8
131.03397	1.3
135.04410	1.2
137.09616	2.2
138.09103	0.6
139.07547	47.1
139.11081	1.1
140.06876	0.6
140.07889	2.3
140.10670	0.8
143.07004	0.9
145.05005	1.0
149.04488	3.1
156.10205	18.2
157.08607	55.4
158.08954	1.7
158.11769	17.0
159.12117	1.1
161.02364	0.6
161.04405	0.6
173.04416	0.7
179.03357	0.7
180.13844	2.2
181.08609	1.3
181.12259	10.5
183.10187	2.2
186.11252	0.9
191.05536	1.4
194.11754	0.7
199.09685	28.6
199.13409	1.7
200.10051	1.3
206.11801	0.9
212.04611	0.5
224.12881	11.1
242.13910	10.4
322.20187	1.3
340.21265	100.0
341.21603	9.5
364.95016	0.5
413.21616	0.6
472.25632	7.6
473.26019	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	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57048	0.2
59.01250	7.2
69.03325	0.5
71.01252	5.4
71.29804	0.3
71.41979	0.2
73.02828	1.9
75.00748	0.3
83.01262	0.7
85.02841	0.7
87.00777	0.2
89.02318	7.7
95.01240	0.3
97.02829	0.9
99.00764	1.4
99.04411	0.3
101.02324	2.1
101.10865	0.2
109.02843	0.4
113.02343	0.9
113.37027	0.2
115.03882	0.4
119.03412	0.2
125.02337	3.6
126.02621	0.2
131.03386	1.3
135.04404	0.2
137.02339	1.1
143.03365	0.6
149.04469	1.2
161.04500	0.3
163.03944	2.1
164.04700	100.0
165.01917	0.5
165.05048	4.1
173.04372	0.2
179.07054	59.9
180.07385	2.7
191.05499	1.1
233.06630	4.1
234.06778	0.2
269.17621	0.2
293.08789	4.4
294.09006	0.3
311.94775	0.2
325.91052	0.2
413.21921	0.3
473.16718	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	472.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90845	0.7
56.70351	0.7
57.03304	0.8
59.01249	47.8
59.89881	0.8
60.99065	0.7
61.98692	1.4
69.03319	1.0
70.34306	0.8
71.01241	4.6
71.04893	3.0
73.02833	4.2
81.03323	10.3
83.01305	0.7
83.04893	65.7
84.05212	0.9
85.02816	1.8
89.02314	2.9
95.21790	1.0
97.06438	1.4
98.38261	0.7
99.08022	1.0
101.02312	3.5
102.98451	1.5
104.98040	3.5
113.02331	1.5
113.09625	4.8
114.09096	1.7
114.37714	0.9
115.07527	15.4
125.09741	0.9
127.03903	6.2
131.03387	1.9
135.04410	1.5
137.09605	3.4
139.07545	38.7
139.11116	1.5
140.07845	1.7
143.07042	1.3
145.04993	3.8
149.04465	3.1
155.14294	1.0
156.10202	9.3
157.08611	54.6
158.08958	2.5
158.11771	11.2
161.04486	1.6
173.04507	1.3
179.03403	0.8
180.13857	2.3
181.08623	2.4
181.12265	23.1
182.12631	1.4
183.10254	1.0
186.11273	2.6
188.09274	1.4
191.05504	2.1
199.09677	28.4
199.13319	5.1
200.10025	1.7
206.11861	1.2
224.12863	13.5
237.14986	3.8
242.13937	12.9
322.20123	2.3
340.21262	100.0
341.21606	10.9
472.19815	1.3
472.25656	10.4
473.17014	0.8
473.26358	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	472.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90845	0.7
56.70351	0.7
57.03304	0.8
59.01249	47.8
59.89881	0.8
60.99065	0.7
61.98692	1.4
69.03319	1.0
70.34306	0.8
71.01241	4.6
71.04893	3.0
73.02833	4.2
81.03323	10.3
83.01305	0.7
83.04893	65.7
84.05212	0.9
85.02816	1.8
89.02314	2.9
95.21790	1.0
97.06438	1.4
98.38261	0.7
99.08022	1.0
101.02312	3.5
102.98451	1.5
104.98040	3.5
113.02331	1.5
113.09625	4.8
114.09096	1.7
114.37714	0.9
115.07527	15.4
125.09741	0.9
127.03903	6.2
131.03387	1.9
135.04410	1.5
137.09605	3.4
139.07545	38.7
139.11116	1.5
140.07845	1.7
143.07042	1.3
145.04993	3.8
149.04465	3.1
155.14294	1.0
156.10202	9.3
157.08611	54.6
158.08958	2.5
158.11771	11.2
161.04486	1.6
173.04507	1.3
179.03403	0.8
180.13857	2.3
181.08623	2.4
181.12265	23.1
182.12631	1.4
183.10254	1.0
186.11273	2.6
188.09274	1.4
191.05504	2.1
199.09677	28.4
199.13319	5.1
200.10025	1.7
206.11861	1.2
224.12863	13.5
237.14986	3.8
242.13937	12.9
322.20123	2.3
340.21262	100.0
341.21606	10.9
472.19815	1.3
472.25656	10.4
473.17014	0.8
473.26358	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
57.71569	0.3
59.01250	100.0
60.01588	1.2
61.98710	0.7
67.44113	0.3
69.27723	2.5
69.34340	0.3
71.01254	4.0
71.01630	0.4
73.02821	2.6
75.00741	0.3
78.95797	0.4
81.03318	0.5
83.01271	0.9
85.02835	0.6
87.00769	0.3
88.29563	0.3
89.02321	1.8
98.19809	0.3
101.02334	3.2
101.66438	0.3
113.02314	1.5
119.03400	0.7
119.04937	0.3
121.00545	0.2
131.03436	0.3
133.02884	0.3
133.06581	0.3
135.04420	0.4
137.09573	0.3
141.16527	0.3
141.84706	0.3
143.03426	0.4
149.04489	0.6
151.03970	0.4
161.02443	0.3
161.04524	1.1
167.36777	0.3
179.05606	0.4
179.10774	0.3
191.05502	1.4
207.13820	1.6
272.46609	0.3
471.22308	0.4
471.35052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73672	0.3
51.06524	0.3
57.03325	0.7
59.01251	100.0
60.01593	1.2
61.98707	4.3
69.03344	0.4
69.29750	0.9
69.30174	2.7
71.01250	8.1
72.99193	0.9
73.02820	3.8
74.98965	0.4
83.01283	1.4
83.04908	0.4
85.02829	2.0
87.00782	1.0
89.02322	3.4
93.03342	0.7
95.01240	0.4
99.00755	0.6
101.02322	6.4
101.02930	0.5
102.98500	0.5
109.02802	0.4
111.00793	0.4
113.02340	3.1
115.00249	2.3
118.97986	1.2
119.03381	2.2
119.04906	0.7
123.04453	0.5
131.03416	1.1
133.01315	2.7
133.02888	0.4
134.03664	1.2
135.04413	1.1
135.11720	1.2
137.09674	0.7
138.27977	0.4
143.03377	0.4
148.05232	0.7
149.04448	2.1
151.03912	2.1
153.30466	0.3
155.03441	0.6
157.03088	0.4
161.02377	0.6
161.04497	1.9
163.03964	0.6
173.04486	0.7
175.03906	0.5
178.02698	0.5
179.03482	0.7
179.05522	1.3
179.10703	8.3
180.11055	0.6
182.75069	0.3
191.05537	3.0
196.99188	0.3
207.05519	0.4
223.09702	2.7
267.15906	0.5
310.11115	0.4
313.09378	0.4
327.84412	0.3
355.14020	2.8
374.06451	0.5
383.11957	0.9
437.81104	0.3
458.39581	0.4
466.59625	0.4
471.17084	1.1
471.23047	0.5
471.34460	0.6
472.17178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51410	0.4
54.95713	0.3
57.03320	0.4
59.01252	100.0
59.38858	0.4
60.01580	1.1
60.37117	0.4
61.98724	0.5
69.98930	1.1
69.99350	0.9
71.01261	5.0
73.02821	10.8
83.01253	2.6
85.02854	1.0
87.00787	0.5
89.02330	1.3
90.98476	0.8
93.03378	0.6
98.19946	0.4
99.00705	0.4
101.02320	9.5
102.46870	0.4
102.98543	0.5
113.02360	1.7
119.03402	0.7
131.03397	0.7
139.03987	0.5
143.03424	0.8
149.04488	0.9
161.04456	2.4
165.12851	0.8
179.05608	0.4
191.05606	0.9
207.13890	2.1
219.13928	0.6
221.06689	0.8
221.15413	0.6
231.13850	0.6
249.15105	1.0
265.36673	0.4
298.51178	0.4
429.21185	0.9
471.22232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.4
59.01250	100.0
60.01591	1.1
61.98713	0.6
63.70413	0.3
71.01252	5.9
71.50497	0.4
71.50962	0.6
72.99188	0.4
73.02821	10.8
79.57759	0.3
83.01260	2.7
85.02819	0.7
89.02330	1.1
95.61077	0.3
101.02318	9.3
101.02924	0.6
113.02334	2.2
113.46396	0.3
119.03391	0.9
119.04937	1.2
131.03416	1.0
134.03665	1.4
143.03415	1.0
149.04515	1.3
161.04463	2.3
163.03983	1.6
165.12717	0.7
177.72401	0.4
177.79733	0.5
191.05508	0.4
193.05078	1.5
200.00969	0.5
207.13916	1.6
221.06734	0.8
249.15010	1.2
255.57347	0.4
316.03485	0.4
339.14813	0.6
370.73755	0.4
374.06226	0.9
471.26227	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08898	0.3
54.27456	0.3
57.03331	4.0
59.01254	100.0
60.01596	1.2
69.03328	0.5
69.19647	0.7
69.20063	3.0
71.01252	3.1
71.65507	0.3
73.02824	1.8
80.07813	0.3
83.01257	0.6
83.72800	0.4
85.02834	1.0
87.00830	0.3
87.04419	0.4
89.02331	1.0
92.19753	0.3
93.03351	0.6
97.02822	0.5
98.20695	0.5
101.02322	1.9
102.98479	0.5
104.81933	0.3
113.02370	0.9
119.03400	0.8
122.11649	0.3
125.02309	0.5
131.03432	0.4
133.02940	0.4
135.04404	0.3
137.09663	1.1
161.04498	0.5
166.04993	0.4
173.04469	0.4
191.05580	0.8
192.11497	1.8
203.05511	0.8
207.13857	22.1
208.14238	1.2
209.15428	0.4
267.16058	0.4
374.06046	0.4
411.20349	0.5
429.21323	0.6
471.26801	0.4
471.34637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61868	0.2
58.88245	0.2
59.01249	100.0
60.01582	1.0
61.72542	0.2
71.01252	2.1
73.02821	2.1
83.01270	0.6
85.02815	0.4
89.02322	0.7
92.29836	0.2
99.00745	0.3
100.97070	0.2
101.02330	2.2
113.02346	0.9
119.03439	0.3
123.79057	0.2
129.96150	0.2
131.03384	0.4
135.43367	0.2
149.04517	0.3
161.04486	0.5
173.04619	0.2
187.07669	0.3
189.12773	2.2
191.05482	0.2
237.63316	0.3
256.03082	0.2
274.50366	0.2
339.05090	0.3
354.99152	0.2
471.26437	0.7
471.34891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87398	1.2
57.50847	1.3
59.01249	44.9
61.98684	2.5
69.03319	2.1
69.18137	8.0
69.18560	7.5
71.01253	37.5
72.99191	3.0
73.02811	11.5
83.01283	2.8
85.02825	3.7
86.81472	1.3
87.00748	4.0
87.04382	1.4
89.02322	7.7
97.02827	2.1
101.02325	10.8
103.03883	3.8
113.02326	3.0
115.00256	33.4
115.01969	2.4
119.03376	3.8
119.04927	3.7
125.02362	3.4
130.88939	1.3
131.03427	3.3
133.01318	51.6
133.10016	2.4
134.01764	1.5
135.04396	2.5
135.11681	17.0
137.09648	7.6
145.02847	2.7
148.05212	8.0
149.04469	6.8
151.03952	2.5
155.10701	21.9
157.03023	8.9
161.04457	2.1
163.03903	4.8
163.07558	3.0
174.80095	1.4
179.05566	1.8
179.10693	100.0
180.11053	10.4
181.08659	4.0
191.05540	2.4
199.09695	2.7
212.31450	1.3
217.79330	1.4
223.09718	39.5
224.10101	2.7
227.07387	1.4
241.10806	1.7
249.90483	1.3
271.06393	5.6
295.08524	2.1
307.10287	2.0
309.84702	1.4
310.10968	3.0
310.85074	1.4
311.14932	1.7
339.12540	6.1
355.13986	42.3
356.14325	4.9
398.79910	1.5
471.16797	79.5
472.17010	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	471.1679
Annotation	Ananolignan B
Peak:m/z	Relative Intensity
57.03314	1.8
58.00449	0.7
59.01250	32.7
61.98695	1.9
62.28293	0.5
69.03323	2.1
69.17706	0.5
71.01259	15.1
71.50381	0.8
72.99174	1.4
73.02822	7.6
75.94375	0.5
81.03362	0.8
83.01285	0.9
85.02812	2.9
87.00751	8.0
87.04395	2.5
88.01058	0.5
89.02318	5.5
93.03338	1.1
94.30762	0.6
99.02441	1.0
99.04414	0.7
101.02334	7.2
103.03894	0.9
113.02333	4.3
113.04027	1.5
115.00266	9.3
115.01955	1.6
116.09758	0.6
119.03389	2.9
125.02375	1.1
131.03372	1.6
133.01326	13.7
133.02884	0.9
133.10121	0.8
134.03607	1.6
135.04420	0.9
135.08060	1.9
135.11716	5.1
137.09618	11.0
138.09953	0.9
148.05199	3.8
149.04462	2.2
151.03896	2.1
155.05170	0.7
155.10689	37.7
156.03392	0.8
156.11037	3.0
157.03032	14.6
161.04489	1.7
163.07506	1.0
169.06700	0.8
169.12273	0.8
173.04460	0.7
179.05592	1.5
179.10696	29.1
180.11041	2.5
181.08630	6.5
182.08986	0.8
191.05577	2.9
199.09691	3.7
213.05676	2.3
213.11334	1.1
223.09703	12.0
224.10039	1.1
225.05820	0.9
227.07304	2.0
229.05113	1.6
237.05634	3.2
238.06335	0.7
241.10770	1.9
247.08192	1.0
249.14874	0.8
253.08495	0.7
271.06329	7.0
289.38882	0.6
295.08435	3.2
307.10333	1.3
310.10883	8.1
311.15024	0.9
339.12585	8.4
348.91803	0.6
352.08612	0.6
355.13980	11.9
356.14395	1.5
358.13104	0.6
372.62628	0.6
381.13654	0.7
411.20337	1.7
466.01123	0.7
471.16809	100.0
472.17059	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	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47768	0.8
55.20407	0.8
57.80360	0.8
59.01256	5.2
69.80611	4.8
71.01261	4.0
73.02815	0.8
75.00742	1.4
87.00772	0.8
89.02328	2.4
93.03329	1.0
98.19867	1.4
99.00770	1.4
101.02331	2.5
109.02875	0.9
111.08045	1.8
113.02338	1.0
135.04466	2.0
137.02347	11.5
147.04433	1.2
149.02324	1.4
149.04462	1.4
150.17978	0.8
151.03923	1.2
163.03888	1.6
165.01851	73.9
166.02277	3.1
173.08115	1.4
175.04048	1.2
179.03416	14.9
180.04211	48.1
181.04683	3.3
186.70184	0.9
191.05504	1.5
194.05827	2.4
195.06569	100.0
196.06955	4.7
210.05266	6.5
225.07655	33.6
226.08037	2.0
243.08731	2.3
295.97916	0.9
304.34177	0.7
308.98035	0.8
321.15561	0.9
323.13611	1.2
331.08359	1.9
346.10352	0.9
361.12915	5.1
421.15012	12.7
422.15414	1.9
446.60049	0.9
469.17471	5.0
469.33145	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	469.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39899	0.1
57.03322	0.6
58.99156	0.3
58.99473	14.0
59.01249	40.8
60.01595	0.5
60.01992	0.1
61.98695	0.4
69.92132	0.8
71.01260	0.3
73.02808	0.2
74.98969	2.7
84.04414	0.3
85.02806	0.3
86.16872	0.2
89.02312	0.2
101.97903	0.2
102.98473	100.0
103.98814	1.7
120.99538	7.6
137.70512	0.2
161.02446	0.2
162.02188	1.5
163.00620	6.5
163.02109	0.3
163.02600	0.3
179.10725	0.2
191.05492	0.2
199.36990	0.2
218.88631	0.2
219.03551	0.2
233.11742	1.4
245.11758	0.8
246.12088	0.2
279.10477	0.5
349.11005	0.5
427.14151	0.5
469.15414	1.0
474.31189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14004	0.4
53.46166	0.6
55.01761	2.0
57.03315	2.2
58.00475	0.7
59.01249	100.0
60.01593	1.2
61.98710	1.2
62.39867	0.5
71.00852	1.1
71.01252	22.2
71.50828	0.6
72.99187	1.2
73.02818	9.1
78.95795	0.9
81.03352	0.5
83.01259	5.1
85.02824	11.9
85.99960	0.6
87.00766	2.0
89.02319	3.6
93.03342	1.0
95.01273	1.8
96.23602	0.5
97.02853	1.1
98.90489	0.5
99.00760	3.7
101.02316	20.4
107.43254	0.4
111.00802	0.9
113.02332	9.7
113.03098	0.9
118.81432	0.4
121.56782	0.5
125.02347	1.9
129.01784	0.8
131.03436	1.5
143.03448	1.1
144.18748	0.5
149.04449	0.9
159.02927	1.4
161.02374	0.6
161.04482	5.1
173.04533	0.9
191.05489	3.6
201.23817	0.4
202.13289	0.4
245.61163	0.4
273.17084	0.9
285.04031	0.6
291.18140	35.3
292.18558	2.8
317.11133	0.5
328.98779	0.5
333.19138	2.3
405.21320	0.7
423.22324	18.3
424.22769	1.8
438.62061	0.5
465.23322	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	467.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.7
59.01242	10.4
60.07125	0.9
69.03334	1.0
70.01852	4.1
71.01249	5.1
73.02822	5.1
83.01261	1.0
83.04888	5.5
85.02813	4.2
87.00749	1.5
89.02341	2.2
93.03310	1.4
95.01271	1.1
97.02845	1.8
97.06466	6.5
99.08014	1.6
99.22351	0.8
101.02307	6.1
109.06488	1.9
111.08042	88.3
112.08384	3.2
113.02324	6.2
121.10091	2.5
123.08119	1.1
123.24296	0.9
125.05985	3.0
129.09085	2.0
130.47125	1.0
131.03415	5.3
141.09108	42.5
142.09468	2.5
143.03412	1.4
143.07040	74.5
144.07397	2.5
149.04446	5.3
153.09129	1.1
155.07114	1.6
161.04491	3.9
165.09142	10.5
173.04579	3.3
173.08110	100.0
174.08478	3.8
176.04726	1.2
177.09096	2.1
185.08133	11.1
187.07611	3.6
187.09673	1.5
191.05553	15.1
197.08122	3.8
202.06433	0.9
203.09184	55.2
204.09528	4.1
205.08740	3.1
209.08154	11.6
215.09203	1.4
227.09198	2.4
231.10303	2.9
245.10278	8.6
249.11336	6.7
275.09070	4.4
293.10297	2.1
305.12430	15.2
335.13458	38.9
336.13724	1.6
377.14526	11.6
378.14838	1.9
467.17706	68.4
468.17963	6.0
478.28870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
61.98693	0.8
62.96276	0.3
70.47076	0.7
71.01254	0.4
78.95774	54.1
89.02317	0.3
95.68329	0.2
96.95898	0.4
96.96842	6.5
101.02275	0.4
103.72538	0.2
104.26861	0.3
104.46154	0.2
113.02375	0.3
119.04911	0.3
121.02887	0.2
150.97910	1.7
152.99487	100.0
153.99826	1.7
161.02361	0.4
170.99231	0.4
171.00558	4.3
191.05544	0.6
287.17474	0.2
311.22440	0.2
368.08591	0.2
375.70081	0.2
385.99255	0.2
465.22562	15.6
466.22922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00149	0.2
59.01250	2.7
61.98696	1.0
65.00208	0.2
71.01251	1.1
71.50880	0.3
78.95774	53.3
85.02811	0.6
86.20496	0.2
93.03342	0.3
96.95898	0.5
96.96841	6.5
97.06497	0.2
101.02341	0.4
110.90736	0.2
113.02323	0.3
125.09613	0.2
128.43269	0.2
133.02869	0.3
135.04416	0.9
136.05173	0.4
143.23288	0.2
150.97906	2.4
152.99489	100.0
153.99773	1.8
161.02390	0.7
165.01785	0.3
171.00560	5.2
173.04466	0.4
179.03427	1.3
187.07654	0.4
189.05502	0.3
191.05513	0.9
202.06116	0.3
209.11667	0.3
211.13370	0.3
215.07057	0.3
252.51068	0.2
311.22357	0.5
339.73868	0.2
465.22513	15.2
466.22940	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	465.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
61.98695	0.6
66.23380	0.3
69.15365	1.5
69.15788	1.4
74.43779	0.3
78.95774	56.8
86.60203	0.3
91.95236	0.3
96.95893	0.3
96.96838	7.5
105.77628	0.3
111.74992	0.3
114.09809	0.2
145.47903	0.3
150.97906	1.7
152.99489	100.0
153.99777	1.8
171.00565	4.9
191.05533	0.3
195.13795	0.3
293.21185	0.6
295.22821	1.1
296.23148	0.9
297.23392	2.5
349.14407	0.4
377.13702	1.4
465.24487	0.9
477.16208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13287	1.0
53.45071	0.9
59.00956	1.8
59.01247	32.5
61.98702	100.0
69.18909	10.4
71.01260	4.8
73.02816	2.6
78.95775	2.3
85.02811	3.4
87.00729	2.2
93.03329	2.0
101.02322	3.1
113.02337	2.6
133.02821	1.9
135.04388	2.2
149.04420	1.5
161.04451	2.3
168.65163	1.1
173.04424	3.5
179.03357	1.3
183.44864	0.9
191.05513	6.2
207.80824	1.0
243.03333	1.1
291.17944	2.1
315.18048	3.0
331.24948	2.8
332.25186	4.2
405.21158	1.3
423.22183	1.7
424.57843	1.2
454.10434	1.3
464.27682	1.0
465.22910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
54.05276	0.9
57.03328	9.5
59.01254	13.5
61.98691	0.8
63.02269	1.6
65.00212	4.4
66.85836	1.0
67.01750	1.0
71.00916	1.2
71.01241	5.1
71.20392	2.9
71.30940	0.8
72.99181	0.9
81.03332	1.4
83.01247	6.1
85.02830	2.5
89.01833	0.9
89.02330	6.3
93.03321	2.9
95.01212	1.0
96.95881	2.4
97.02851	1.4
97.06397	1.0
99.00768	1.2
101.02328	3.0
105.03334	1.1
105.64413	0.9
106.36250	0.8
107.01276	7.2
109.02847	5.2
109.06470	1.2
111.04398	0.9
113.02329	2.2
119.03388	1.7
121.02848	3.7
123.04416	6.2
124.01543	2.8
125.02337	100.0
126.02686	2.5
127.07529	6.3
137.02348	6.0
139.03914	4.3
143.03459	1.0
149.02345	14.3
149.04393	2.1
151.00272	29.7
151.03914	2.6
152.01044	4.3
153.01833	24.8
154.02147	1.2
161.02328	1.8
161.04411	1.2
165.01883	1.1
167.03447	2.5
169.01329	1.9
171.04434	1.2
171.06497	3.6
172.05138	1.5
173.04533	2.0
173.05965	1.6
174.03151	4.2
175.00287	4.6
175.03931	11.7
177.01854	13.5
178.99791	19.3
179.03427	1.1
181.01349	13.8
184.22125	1.1
188.04732	2.6
189.05519	3.6
191.03539	2.0
191.05542	7.0
193.01302	1.7
193.05028	1.3
193.24770	1.1
195.02924	1.8
199.03938	6.0
201.01820	2.5
205.01418	2.0
213.05449	1.6
217.05003	6.9
229.08676	2.1
241.05037	4.4
257.04547	1.1
259.06088	3.1
273.07690	3.8
275.05612	21.1
276.06006	1.4
285.01022	2.0
285.04071	36.3
286.04330	2.7
291.09167	1.0
299.05597	7.0
303.05099	54.1
304.05408	4.4
341.05145	4.9
343.06760	5.5
388.18738	1.1
405.21695	1.7
437.10562	1.4
447.09378	3.4
465.09778	1.2
465.15829	1.7
465.22482	1.3
469.01907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
59.01250	6.3
61.98701	1.0
63.04577	0.3
70.26350	0.8
71.01266	0.6
78.95775	6.4
83.04898	0.7
93.03315	0.6
97.06449	0.6
101.02338	0.3
101.74691	0.3
110.98424	5.2
113.09616	1.8
139.00256	0.7
151.00256	0.4
152.99509	1.1
153.01764	0.3
154.02570	0.7
161.02289	0.3
167.01033	2.3
171.10062	0.4
177.12778	0.6
179.14290	1.4
181.08960	0.3
181.12241	0.5
185.02133	5.4
191.05580	0.5
195.13847	15.8
196.14180	0.6
197.11769	0.4
209.08302	0.4
209.11801	2.5
227.12814	0.3
271.02472	0.7
277.21729	14.2
278.21927	1.7
295.22781	100.0
296.23105	10.1
300.02756	1.2
301.03506	0.7
371.22192	0.4
463.09354	0.7
463.24661	17.6
464.25009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.4
61.98701	100.0
66.68969	0.4
71.01250	4.8
71.48920	0.4
71.49373	0.5
72.99174	0.5
73.02830	1.0
75.00743	5.6
78.09012	0.4
85.02840	1.7
87.00729	0.7
89.02302	3.4
93.03334	1.2
97.26615	0.4
99.00748	0.5
101.02317	2.7
101.77612	0.4
111.41537	0.4
113.02339	1.7
119.03396	2.2
125.02328	0.4
127.03917	0.7
135.04507	0.5
137.60619	0.5
141.09189	0.6
143.03439	0.6
149.04449	0.7
151.00281	0.5
161.04530	1.2
169.16008	0.4
173.04567	0.9
173.06017	0.5
179.05566	1.6
191.05544	10.7
192.05829	0.5
200.04794	0.4
200.31293	0.4
228.75180	0.4
247.09706	0.5
273.07758	1.5
274.84024	0.4
291.08829	0.9
405.21362	1.1
444.11288	0.4
465.14682	0.7
465.23563	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
57.03334	0.6
59.01251	11.1
61.98697	0.5
69.03327	0.7
70.27767	1.2
71.01256	8.2
73.02826	5.9
80.02548	1.3
81.03345	1.4
83.01268	1.8
83.04893	4.8
84.02028	0.8
85.02817	3.6
87.00781	1.1
88.04272	0.5
89.02321	6.0
93.03347	1.2
99.00764	1.3
101.02328	8.5
109.02878	0.8
111.04422	0.7
113.02347	4.0
119.03374	1.0
122.94453	0.5
125.02341	0.9
131.03383	1.1
134.05942	1.1
135.08070	1.6
137.09630	5.2
143.03418	0.9
147.11682	0.6
149.04448	1.8
151.00299	1.8
153.09018	0.8
155.10683	81.9
156.11053	3.9
161.02344	1.3
161.04448	4.0
162.05495	1.2
163.05789	0.7
163.11217	3.8
165.12759	2.4
173.04434	1.2
181.12291	0.8
191.05542	7.0
191.10721	1.2
193.03764	1.2
199.09691	42.9
200.10031	2.6
209.11766	100.0
210.12128	8.2
217.08719	0.7
227.12839	17.8
228.13264	0.7
235.08104	0.6
242.75420	0.7
243.02907	0.8
245.08159	1.1
253.09248	12.2
255.02898	2.5
271.02460	6.9
271.05951	1.4
300.02768	10.6
301.03421	5.6
329.11279	1.0
330.11658	1.5
331.14178	18.1
331.17624	1.8
332.14188	2.1
463.08609	5.5
463.16983	9.4
463.22717	2.8
464.08768	1.2
464.18219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09914	0.5
55.01777	1.6
57.03341	2.0
58.00482	1.0
59.01247	22.9
65.00211	0.9
69.03337	1.2
69.84566	3.0
71.01251	24.9
71.67912	0.6
72.30475	0.5
72.99184	1.3
73.02816	9.9
73.03184	0.7
75.00784	0.8
78.06782	0.6
80.02555	0.7
81.03364	1.3
83.01265	4.4
83.04900	5.3
84.02069	0.8
85.02821	10.1
85.03292	0.8
87.00744	3.3
87.04383	0.6
89.02308	15.1
89.02821	0.9
93.03327	3.8
95.01301	2.3
95.04947	1.0
97.02832	1.0
99.00781	3.5
101.02321	16.6
109.02818	0.7
111.04445	1.4
111.08048	0.9
113.02323	10.4
117.03376	2.2
118.03700	0.6
119.03375	2.9
125.02376	1.6
125.05938	0.7
127.03928	0.8
131.03433	3.4
131.07066	1.6
133.02832	4.5
134.03650	1.2
135.04422	2.4
137.02373	0.7
137.09669	0.8
143.03459	1.4
145.02866	7.2
145.04958	0.8
146.03172	3.6
147.03337	1.5
149.04454	9.1
151.00275	1.7
151.03931	0.8
152.03464	1.9
155.10674	7.9
156.10971	0.7
159.02872	1.0
161.02391	4.8
161.04433	12.3
161.05688	0.9
163.11221	2.7
165.12750	2.0
169.01369	1.1
172.07468	0.7
173.04549	3.0
173.05827	0.8
173.08131	2.3
174.03209	0.6
174.23048	0.6
175.03860	0.8
177.01875	3.1
178.02620	1.4
179.03436	1.4
183.04402	1.3
184.05177	1.5
187.03946	0.8
187.07539	2.2
188.08141	0.6
191.05530	18.8
192.05936	1.2
199.03810	0.7
199.09665	6.0
199.13350	1.0
201.09096	1.3
202.06277	0.9
209.11763	100.0
210.12114	7.5
213.09138	1.7
215.07030	1.1
217.08681	1.1
225.05638	0.6
226.02440	0.6
227.12839	19.9
228.13141	1.6
229.08453	0.7
231.10155	1.2
241.04973	0.8
243.06509	3.6
245.04509	0.7
245.08131	2.1
253.09250	13.5
254.09541	0.9
255.02921	3.6
263.12796	0.8
269.04538	3.5
271.02423	6.3
271.05814	1.2
272.02896	0.9
283.18768	0.6
287.05563	1.0
287.14935	1.3
289.07172	1.0
289.10693	1.2
293.08890	1.1
299.99387	1.0
300.02701	9.1
301.00305	0.7
301.03467	8.7
301.11908	1.8
302.03806	1.2
324.82938	0.7
331.04694	3.2
331.13699	2.9
331.17493	10.5
332.11237	1.1
332.17886	0.8
342.27197	0.8
445.07620	1.6
445.24054	1.9
463.08896	6.3
463.16199	2.0
463.21609	34.5
464.08847	1.4
464.15918	1.0
464.21933	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.03311	0.7
59.00962	0.7
59.01249	11.0
64.88908	0.3
67.01761	0.4
69.03317	0.6
71.01255	6.3
71.04866	0.7
71.29760	0.6
71.30091	0.4
71.85863	0.3
72.99182	0.8
73.02818	2.8
75.00733	0.7
80.02558	0.8
81.03330	1.2
83.01247	1.0
83.04895	5.8
84.02029	0.9
85.02816	3.3
85.27233	0.3
87.00752	1.0
89.02316	4.2
90.98472	0.4
91.58517	0.4
93.03354	1.9
95.01228	0.7
95.04926	0.5
97.02813	0.5
99.00735	1.1
101.02322	4.9
107.01277	0.4
109.02860	0.8
109.06475	0.7
111.00770	0.4
111.04384	0.5
111.08051	2.3
113.02311	2.7
119.03395	1.0
121.02831	0.4
122.00394	0.3
123.00754	0.5
125.02304	0.8
125.05974	0.6
131.03400	0.7
131.07077	0.6
133.02850	0.4
135.04431	0.4
135.08064	0.7
137.09634	3.6
139.00262	0.6
143.03459	0.4
149.04495	1.7
151.00253	1.5
152.00981	0.5
153.01785	0.5
155.10681	32.9
156.11043	1.6
161.02321	0.7
161.04491	2.5
163.00229	0.6
163.11168	3.5
165.12788	2.2
166.99785	0.6
173.04482	1.3
173.08112	3.5
178.99806	0.8
179.05421	0.4
181.08621	0.8
181.12222	0.4
183.04341	0.7
185.06003	0.5
187.03886	0.5
187.07498	0.7
191.05518	4.9
191.10661	1.0
199.03926	0.7
199.09694	25.8
200.10039	1.6
201.05537	0.6
201.09135	0.6
209.11768	100.0
210.12105	5.9
211.03883	0.5
215.03500	0.6
227.03488	1.9
227.12840	14.5
228.13220	1.0
235.08134	0.7
243.02975	3.2
243.06589	1.7
253.09271	11.9
254.02103	0.6
254.09631	0.5
255.02957	6.9
256.03470	0.8
257.04501	1.8
271.02487	9.6
271.05954	1.0
272.03238	2.3
283.02524	1.4
289.07123	1.5
300.02768	8.9
301.03455	6.1
331.04678	0.4
331.14026	9.1
331.17651	1.1
332.14340	0.8
374.79788	0.4
463.08801	13.2
463.18213	7.6
464.09052	2.0
464.18549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71180	0.3
55.01751	0.6
57.03321	0.5
58.00462	0.7
59.01252	8.3
61.98700	0.3
63.02250	0.3
69.03313	0.4
69.36801	0.3
70.88450	0.8
71.01253	6.7
72.99179	0.4
73.02817	3.4
80.02550	1.2
81.03326	1.4
83.01247	0.9
83.04901	4.5
84.02022	1.0
85.02825	3.4
87.00746	1.1
89.02319	5.2
93.03345	0.9
95.01263	0.9
95.04895	0.4
97.02851	0.5
99.00751	1.2
99.16634	0.3
101.01712	0.5
101.02329	6.8
109.02819	0.3
111.04384	0.4
113.02341	3.8
119.03386	1.5
125.02331	0.4
125.05952	0.8
131.03407	0.8
133.02904	0.5
134.03687	0.5
134.06059	0.4
135.04366	0.5
135.08032	1.2
137.09615	1.8
139.11240	0.3
143.03442	0.4
148.01526	0.3
149.04471	0.9
151.00275	1.6
153.09097	0.4
155.10687	30.7
156.10974	1.8
161.02362	1.3
161.04478	3.7
162.05531	0.6
163.11197	4.0
165.12753	2.7
166.94324	0.3
168.02998	0.3
169.03215	0.4
172.05190	0.4
173.04448	0.7
173.05898	0.3
178.99831	0.4
179.03436	0.4
179.05609	0.4
181.12329	0.9
183.10103	0.4
191.05563	6.2
191.10631	1.1
193.03773	0.6
196.29942	0.3
199.09698	16.5
199.13309	0.7
199.98854	0.3
200.10036	0.8
209.11777	100.0
210.12144	6.6
217.08717	0.4
227.03352	0.5
227.07063	0.4
227.12851	14.9
228.13133	0.8
235.08228	0.5
243.02983	1.0
243.06624	0.5
243.12335	0.6
245.08223	0.7
253.09274	13.4
253.11935	0.7
254.02251	0.4
255.02948	2.5
256.03409	0.4
257.10464	0.4
271.02518	6.0
271.05649	0.6
272.02832	0.4
289.07156	1.1
299.02103	0.4
300.02750	9.9
301.03439	5.5
302.03778	0.6
329.11337	0.8
330.11719	1.0
331.13910	7.4
331.17709	2.0
332.14282	0.6
463.08615	6.4
463.17502	2.2
463.22018	4.0
464.09225	0.8
464.23071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55814	0.5
56.61850	0.5
59.01249	1.7
69.50684	3.6
71.01244	0.7
73.02813	3.0
82.73064	0.5
85.92577	0.6
88.10848	0.5
89.02314	0.8
92.11201	0.5
111.00102	0.5
113.02342	0.6
131.03423	0.6
135.08046	1.0
137.09621	6.9
139.50342	0.5
149.04448	0.7
155.10684	100.0
156.11017	5.8
191.05562	1.2
199.09689	60.4
200.10048	2.9
209.11766	8.3
227.12766	2.3
300.02713	1.2
301.03745	0.6
331.13943	22.5
331.17892	1.1
332.14340	1.5
463.18137	18.8
464.18460	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	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18204	0.3
51.57366	0.3
53.34348	0.3
59.01245	2.3
61.98698	0.8
69.15630	4.7
71.01256	0.4
78.95773	57.0
81.06303	0.4
89.02359	0.5
96.96841	6.3
109.99969	3.3
122.67365	0.4
125.02334	1.6
126.02676	0.4
133.02837	1.1
135.04417	1.3
137.99489	2.1
139.00279	2.8
146.15315	0.5
150.97911	1.8
151.00177	0.5
152.99487	100.0
153.01753	12.0
153.99840	1.9
154.02182	3.4
161.02342	3.6
171.00575	4.9
179.03438	1.0
180.03560	0.4
194.05746	0.4
207.00111	0.4
209.08159	1.2
209.11746	1.7
271.02405	0.8
295.21896	1.3
300.02756	1.1
301.03506	0.8
377.13510	0.4
463.08755	1.2
463.20981	8.1
464.21338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09621	0.3
54.18827	0.3
55.01821	0.4
57.03379	0.5
59.01004	0.5
59.01332	3.7
64.31842	0.3
64.72640	0.2
69.03415	0.3
69.24343	1.8
69.24755	0.6
71.01347	6.0
72.99259	0.3
73.02916	4.3
75.00803	0.3
81.03404	0.4
83.01357	0.8
83.04997	0.8
85.02925	2.5
87.00803	0.6
89.02323	2.3
93.03400	0.4
95.01313	0.3
99.00845	1.3
101.01693	0.6
101.02322	4.4
107.01360	0.3
113.02346	2.2
119.03415	0.4
125.02367	0.3
131.03419	1.4
134.05998	0.3
135.08127	1.0
137.09624	6.7
137.10600	0.4
138.10036	0.3
143.03368	0.3
145.58754	0.3
149.04514	1.2
151.00294	0.5
153.09152	0.5
155.10683	100.0
156.11034	3.9
159.02898	0.4
161.02361	0.5
161.04471	2.8
162.05447	0.9
163.05814	0.9
163.11211	0.8
165.12779	0.5
168.02950	0.4
169.03297	0.3
178.99693	0.3
181.08717	0.3
191.05560	2.1
193.03767	0.5
194.04268	0.3
195.04323	0.3
199.09691	54.1
200.09999	2.7
209.11761	17.5
209.13832	0.6
210.12065	1.1
215.07010	0.3
227.12831	3.2
243.02818	0.5
253.09282	1.8
255.02780	1.2
271.02484	3.3
271.05698	0.6
286.12555	0.4
287.12863	0.6
300.02722	6.0
301.03433	2.7
329.10919	0.9
330.11365	0.9
331.14127	21.4
331.17499	2.2
331.20273	0.6
332.14294	1.6
463.08582	2.8
463.17114	11.9
464.17496	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	463.0885
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.93137	0.5
65.00204	1.0
71.26650	1.0
71.27007	0.7
72.89632	0.5
83.01265	0.7
91.94118	0.6
97.28236	0.6
107.01286	1.6
108.02042	1.3
109.02832	1.3
118.40918	0.6
121.02856	1.4
132.76692	0.5
135.34888	0.5
148.01601	1.2
151.00281	9.5
163.00261	2.5
178.99821	5.4
198.03078	0.6
199.03915	0.8
211.03934	0.7
215.03535	0.7
216.04286	0.6
226.02643	1.3
227.03448	2.0
229.04945	0.8
243.03000	7.8
244.03520	0.6
254.02222	1.5
255.02998	18.8
256.03436	1.2
271.02493	45.9
272.02972	5.4
273.04227	0.8
283.02435	1.0
299.02017	1.2
300.02753	98.9
301.03488	62.2
302.03848	4.1
316.15314	0.7
463.08826	100.0
464.09171	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.6
55.47357	0.9
57.03303	2.2
59.01250	49.8
59.02376	1.0
61.98421	1.1
61.98698	12.6
65.03822	2.2
68.99684	0.9
69.03277	1.3
71.01247	13.5
71.50909	1.5
71.68497	0.9
72.99156	3.3
73.02808	3.0
78.95320	2.1
78.95776	42.8
81.03313	3.0
83.01255	18.6
83.04868	3.3
85.02809	6.1
85.29768	0.9
87.00739	2.1
89.02303	1.8
89.76542	1.0
93.03348	2.3
95.01250	3.3
95.04911	1.3
96.96835	6.4
97.02839	1.2
97.06479	5.9
99.00756	13.3
99.04391	1.8
101.02345	4.5
105.03437	1.0
105.06940	1.3
107.04946	1.0
108.02042	2.5
109.02836	37.7
111.00750	3.7
113.02326	2.0
115.00262	2.4
121.02853	1.7
121.06480	2.0
123.00761	2.1
124.01572	1.2
124.98714	8.4
127.00246	2.3
129.01802	3.1
133.10068	1.1
134.03508	1.2
135.04398	3.1
137.05962	1.7
137.99469	3.9
140.98183	1.4
142.99767	18.8
147.08047	1.2
149.05972	3.4
151.00266	2.3
151.07529	1.6
152.99487	74.9
154.99763	100.0
156.00011	3.2
157.01289	1.1
161.02327	1.9
161.04390	1.0
161.09599	2.2
169.01228	1.3
171.00516	2.8
173.00833	34.5
173.04260	1.5
173.09650	1.8
179.03421	1.7
189.09172	1.2
191.05540	2.7
191.14316	1.5
201.09227	1.0
208.66673	1.0
209.11703	8.3
215.07045	1.6
217.12294	14.2
227.03506	1.1
227.12730	1.6
235.13336	2.4
243.02898	2.2
253.09312	1.3
255.02884	3.8
257.15326	1.4
257.86615	1.1
271.02512	7.8
272.02643	1.5
285.14917	1.2
300.02734	15.7
301.03430	5.5
301.14371	4.5
317.13809	1.2
326.99304	1.0
329.13873	4.6
341.13922	2.4
343.71735	0.9
345.13199	1.5
359.14630	1.5
373.12897	34.9
374.13065	3.1
403.13892	2.8
433.15012	24.5
434.15326	3.3
463.08832	6.9
463.15933	85.6
463.21237	5.3
464.16223	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07188	0.9
57.03325	2.3
59.01250	100.0
61.98708	7.7
67.35770	0.9
68.76611	1.0
69.91533	4.2
71.01251	4.7
75.00733	1.1
78.95779	3.2
83.01258	1.8
85.02837	3.0
88.87172	1.1
89.02306	3.1
90.39594	1.1
97.02858	1.1
97.06516	1.0
98.19865	1.3
101.02340	2.3
103.13345	1.1
109.02843	1.6
109.06473	3.2
110.98444	1.8
113.02314	2.9
113.09599	4.0
118.30585	0.9
121.02825	1.9
125.09608	1.8
131.03323	1.1
133.02818	3.4
135.04391	1.8
137.02368	2.4
153.01860	2.2
158.65950	1.2
161.02411	8.2
163.11179	2.4
165.12715	1.6
167.10565	1.7
179.03413	1.3
185.02138	1.7
195.13777	1.3
202.06184	1.7
207.10161	10.5
209.11765	11.8
225.11272	8.0
235.17035	1.7
246.50499	1.0
253.09328	2.4
255.02975	3.9
269.10147	1.8
271.02399	4.9
275.20126	2.0
283.02484	2.5
284.03146	1.8
285.03891	3.0
291.19675	15.9
292.20047	1.7
293.21237	30.5
293.24493	1.7
294.21585	1.2
299.01917	8.5
299.05493	3.3
300.02515	1.4
309.20651	4.0
314.04364	4.2
315.05029	4.8
334.12488	2.2
343.12817	7.9
343.62961	2.0
436.65073	1.1
461.11545	7.1
461.19742	5.4
462.12146	1.2
462.20670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.3
59.01249	100.0
60.01586	0.9
61.98719	0.4
70.88725	0.3
71.01254	1.7
71.51031	0.4
73.02834	1.0
78.95790	0.8
83.01250	0.5
85.02834	0.6
89.02346	0.9
93.03350	0.9
93.38681	0.3
97.06480	0.6
101.02335	1.0
108.02055	0.6
109.06508	0.4
113.02342	0.9
121.02859	1.2
123.04425	0.9
135.04430	0.3
138.33296	0.3
145.02869	0.3
152.99472	0.8
153.12756	4.8
161.04489	0.7
179.10681	1.9
181.12212	0.3
191.05562	0.4
193.76810	0.3
195.99988	0.3
197.11763	9.3
207.10265	0.5
225.05728	0.5
225.11324	1.0
255.11302	0.4
257.08139	2.9
299.02167	0.4
327.22052	0.3
329.23267	0.8
419.26624	0.3
461.20328	0.4
461.26816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59602	0.4
53.82972	0.4
57.03279	0.5
59.01249	6.7
61.98634	0.5
71.01221	0.8
78.02599	0.4
78.95766	9.2
89.02277	0.5
98.20622	0.8
109.06459	1.1
109.99318	0.4
109.99973	5.9
110.98415	7.1
111.07990	0.6
113.09540	0.5
125.02319	2.8
135.04308	0.5
137.99481	3.8
141.08890	0.4
152.99390	1.5
153.01836	27.0
161.02333	0.5
167.01019	3.3
167.10672	0.5
177.01866	0.6
179.03384	1.1
179.10768	0.5
179.14255	1.0
185.02130	7.1
194.05739	0.9
195.13823	10.0
196.14182	0.7
205.12262	0.5
207.10182	2.8
209.08031	0.8
211.13225	0.5
223.13335	7.4
225.11229	2.4
228.13600	1.1
253.09335	0.5
256.13019	2.3
275.20084	4.7
293.21207	100.0
294.21567	10.2
355.81183	0.4
409.27905	0.4
461.23178	18.6
462.23486	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.8
59.01244	4.3
61.98694	0.8
66.96253	0.6
70.63142	1.5
70.63505	0.9
71.01218	0.7
78.95777	6.6
79.62611	0.5
91.62920	0.6
108.62664	0.8
109.06488	0.9
110.98401	5.3
113.08821	1.0
113.09600	16.6
114.09910	0.7
139.11151	1.4
149.09564	0.9
152.99477	1.0
153.09181	0.7
167.01067	2.5
167.10677	1.8
174.85808	0.5
177.12758	1.1
179.10675	2.1
185.02127	5.2
195.13860	2.7
207.10193	2.5
225.11284	1.8
233.14905	0.5
249.22249	2.4
275.20175	1.1
293.21219	100.0
294.21536	10.3
346.81796	0.6
461.23090	10.3
462.23599	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14936	0.6
55.01751	0.7
59.01245	17.3
61.98711	0.6
67.54630	0.6
69.29548	0.6
69.30899	0.6
71.01247	6.1
71.50035	0.8
73.02807	1.5
75.85076	0.6
78.95805	4.0
80.02538	1.3
81.03327	2.5
83.01254	1.0
83.04893	2.9
84.89563	0.6
85.02832	1.6
87.00751	0.9
89.02311	4.6
90.86510	0.6
95.01254	1.2
95.04964	0.8
96.37302	0.6
97.02830	7.0
97.81833	0.6
99.00732	1.5
100.71805	0.6
101.02327	6.5
109.05720	1.5
109.06477	29.5
110.03651	1.0
110.06805	1.2
113.02328	2.9
119.00882	0.7
119.03401	2.0
121.06477	2.1
123.04447	0.6
133.06470	0.9
135.08057	3.8
136.05197	1.2
142.02625	2.9
152.99487	6.7
153.01845	1.9
153.12709	0.6
161.04482	2.1
161.09654	1.4
163.11194	16.5
164.11499	1.0
179.05513	1.1
179.10678	0.8
181.12267	5.5
189.09114	1.5
197.11775	0.7
199.96959	0.6
207.10204	100.0
208.10509	7.0
209.11761	1.1
225.11278	63.1
226.11609	3.8
235.08083	0.6
243.12344	1.1
253.09261	18.2
254.09692	1.2
271.02432	0.8
275.20203	0.8
293.21219	1.1
299.01859	0.9
299.14984	1.4
327.22037	0.9
461.20291	52.4
462.20688	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	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
58.40922	0.6
59.01253	12.2
69.03356	0.7
69.18709	0.6
69.30314	3.1
69.30743	2.1
71.01249	3.5
72.99207	1.0
73.02831	2.9
74.20811	0.6
83.01292	0.7
85.02833	2.1
85.27822	0.6
87.00788	0.7
89.02311	5.8
93.03339	0.8
99.33791	0.6
101.02335	1.6
103.03908	0.8
105.01790	0.5
107.08549	1.0
111.04401	1.6
113.02315	1.4
113.60424	0.6
117.05452	0.8
125.02349	0.7
127.07533	0.5
131.03412	2.2
132.04469	0.6
134.06010	1.2
135.04379	0.8
135.08051	1.2
135.58040	0.6
145.02805	0.5
149.04463	17.1
153.09119	100.0
154.06155	3.3
154.09470	4.8
155.06499	1.2
156.32191	0.6
160.03935	1.2
161.02383	1.8
161.04620	2.1
162.05499	3.6
179.07077	1.3
183.10242	0.8
191.05618	2.3
193.03760	2.9
197.08131	47.9
198.08495	1.9
198.84340	0.6
199.13281	0.7
207.10233	1.0
225.11235	1.9
240.10205	0.9
241.01332	1.3
242.02036	1.0
243.12300	1.5
245.00928	1.0
255.02838	0.9
255.06560	0.9
257.09357	1.0
270.01727	2.0
270.09100	0.8
271.02417	2.4
285.03952	0.8
285.12354	2.9
298.01260	0.8
299.02054	3.5
300.02469	0.7
329.12292	34.2
330.12714	3.0
425.14471	0.8
433.06985	0.6
461.06873	1.8
461.16489	35.5
462.16830	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73665	0.6
56.09011	0.6
57.03318	0.7
58.63735	0.6
59.01250	17.6
61.98713	1.2
69.67239	3.1
71.01246	4.8
72.99180	2.3
73.02833	1.5
74.98967	2.7
75.00745	100.0
76.01103	0.7
85.02837	1.6
87.00714	0.9
89.02311	6.1
93.03391	0.8
95.35357	0.6
97.79036	0.6
99.00752	1.4
101.02317	2.8
111.04399	0.6
111.08041	0.7
113.02327	2.6
119.03392	2.0
125.02367	0.6
136.99039	3.1
149.04489	1.5
161.04597	2.0
162.05484	1.6
179.05501	1.7
179.10645	0.9
181.24438	0.5
191.05493	1.4
193.03677	1.2
197.04350	0.7
221.11752	3.9
225.11209	0.8
233.06662	0.9
285.12512	1.1
329.11368	2.9
338.78342	0.7
461.14975	1.4
461.20459	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	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	67.9
61.98692	13.7
66.06173	6.5
69.99621	9.7
70.00026	23.6
71.01248	60.7
72.99174	7.3
73.02817	22.8
75.00745	17.7
75.98514	5.1
78.89074	5.5
81.46743	6.7
83.01247	7.9
85.02824	19.1
89.02320	29.0
93.03334	6.9
97.46099	5.8
98.19883	6.9
99.00761	18.3
101.02353	44.5
113.02331	19.3
123.00768	6.7
125.02289	7.8
131.92984	6.5
135.04459	5.7
154.01361	78.1
159.02948	6.2
161.04500	23.5
191.05487	6.9
195.06552	10.3
197.04533	10.8
213.23039	5.6
225.11282	8.0
259.43127	6.8
269.10306	40.6
401.14444	100.0
402.14734	14.9
462.11490	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	461.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.0
66.24941	0.4
69.25883	2.7
69.26309	2.0
71.01250	0.7
82.02859	4.1
85.02805	0.9
89.02328	1.1
106.06487	2.9
108.04498	0.5
110.02356	0.6
113.02309	1.1
122.06003	0.6
126.16354	0.4
129.32874	0.4
132.04440	8.4
133.05194	1.6
134.06007	18.2
135.04387	1.0
135.06305	0.5
136.03920	1.5
145.02844	1.6
148.03934	0.9
149.04588	2.0
153.09081	2.4
160.03960	8.2
161.04726	17.5
161.18520	0.4
162.05515	36.7
163.05870	1.7
176.03421	1.3
193.03722	20.9
193.05524	0.6
194.04172	1.1
197.08154	1.4
212.07074	2.2
213.07823	1.1
214.08717	2.4
226.08652	1.3
241.01515	1.0
241.04019	0.4
241.06111	2.7
242.11865	2.4
243.11417	1.7
254.06767	0.6
257.09351	3.7
258.09637	0.6
268.09738	1.0
269.09247	2.9
270.01657	0.5
271.02548	0.5
285.12445	24.8
286.12759	2.7
311.10358	5.3
329.11401	100.0
330.11758	11.7
461.06912	0.8
461.16299	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	461.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80797	0.5
51.00100	0.4
57.03329	0.6
59.00999	0.5
59.01255	4.9
60.59151	0.4
62.88696	0.4
63.02262	0.6
70.80671	1.0
70.81020	0.6
71.01241	1.5
73.02811	0.8
76.98582	0.7
82.02853	3.8
85.02834	1.0
87.00735	0.8
87.80788	0.4
89.02318	1.4
93.03325	0.9
96.04673	0.4
97.86340	0.5
99.00761	0.5
99.04376	0.5
101.02306	1.4
102.60202	0.4
106.06485	2.6
108.04390	0.7
110.02362	0.7
111.04409	1.1
111.08043	0.8
113.02338	1.0
119.03409	0.7
122.06021	1.2
132.04456	7.4
133.02841	0.5
133.05289	0.8
134.05020	0.8
134.06026	14.6
135.04439	0.9
135.06334	0.6
136.03935	1.1
137.02284	0.7
149.04550	2.7
153.09099	0.9
154.06075	0.5
160.02728	0.9
160.03961	10.6
161.02583	0.6
161.04733	15.7
162.05524	40.3
163.05861	2.3
173.08116	0.9
176.03468	1.6
191.05562	0.8
193.03737	33.1
194.04146	1.7
212.07115	1.6
213.07899	1.0
214.08646	1.5
216.50153	0.5
225.11224	0.8
226.08850	1.1
240.10155	0.7
241.06123	1.9
242.11858	1.9
243.11391	1.6
257.09320	4.5
258.09708	0.7
268.09784	1.3
269.09344	3.7
270.09628	0.6
285.04050	13.8
285.12445	30.4
286.04388	1.2
286.12878	2.4
299.02112	0.5
311.10321	6.9
312.10712	0.6
329.11426	100.0
330.11737	9.6
461.07285	1.8
461.15964	1.9
469.67270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29695	0.3
57.26766	0.3
59.01248	100.0
60.01589	1.0
70.36077	0.7
70.36472	0.7
72.25347	0.3
85.85233	0.3
102.87759	0.3
125.98071	0.3
337.86310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49842	0.2
59.01252	100.0
60.01584	1.0
61.98693	0.5
69.23224	1.7
69.23650	1.1
71.01241	0.5
89.02316	0.3
97.23927	0.3
116.92712	1.4
121.02856	1.6
135.07741	0.3
212.59381	0.3
389.10635	0.4
459.10822	0.9
459.67523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	1.4
61.98700	0.5
70.07044	1.6
71.25232	0.3
75.42996	0.4
99.74194	0.3
135.17421	0.4
199.48804	0.3
212.24155	0.4
234.15083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.92196	0.4
68.45213	0.4
70.16830	1.4
89.60079	0.4
93.37251	0.4
107.04910	28.9
108.05225	0.7
133.00085	0.3
136.16071	0.4
138.56966	0.4
147.08157	0.4
148.61803	0.3
163.11200	100.0
164.11537	5.3
283.17038	26.0
284.17349	2.7
295.17032	13.8
295.20303	0.8
296.17459	1.4
459.29044	65.0
460.29306	11.6
473.93979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
50.72499	0.5
58.40376	0.4
59.01247	3.3
65.00198	0.7
68.99229	0.5
69.75101	2.6
85.02805	0.6
89.02332	0.5
93.03343	0.6
107.01246	0.9
109.99989	1.4
110.10336	0.5
117.03370	0.8
133.02814	0.7
135.04369	0.6
136.98688	0.5
150.12111	0.5
151.00269	1.6
161.02397	0.5
165.01874	0.9
183.04401	2.6
185.02390	0.6
201.11325	1.1
211.03926	2.9
227.03459	17.8
228.04105	1.9
243.06599	1.2
255.02972	61.6
256.03531	9.0
257.04089	0.5
271.06198	1.0
283.02472	97.0
284.03165	29.9
285.03580	2.2
297.04074	0.6
298.04822	64.0
299.05582	100.0
300.05936	8.5
329.23334	3.3
341.06512	0.7
360.03745	0.5
461.10880	42.1
462.11115	6.2
488.38461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.36911	1.9
70.15726	8.7
71.01276	2.0
77.08948	2.2
78.95757	3.5
83.04841	2.3
98.20501	2.5
111.73083	1.9
114.99817	2.1
121.02883	3.7
125.09605	2.9
167.10724	3.0
171.99207	2.1
209.11806	6.3
219.06595	2.7
223.13177	2.5
234.08855	5.5
245.19083	5.1
251.45903	2.0
276.31052	2.0
289.18085	7.0
291.19635	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01249	100.0
60.01591	1.0
61.00821	0.3
61.90555	0.3
69.03320	0.3
71.01254	8.0
72.99171	0.5
73.02825	2.2
73.03181	0.3
75.00711	0.3
83.01273	1.1
85.02818	3.7
87.00750	0.7
87.04401	0.8
89.02311	2.1
93.03340	0.4
95.01266	1.5
97.02790	0.3
97.06493	0.3
98.19797	0.7
99.00787	1.2
101.02322	4.3
113.02327	7.6
119.03419	1.0
123.04414	0.4
124.01603	0.4
125.02335	0.8
129.55234	0.2
131.03398	0.5
133.02890	0.4
134.03584	0.6
135.04457	0.5
140.22075	0.3
143.03400	0.6
144.78957	0.3
149.04474	0.8
150.03156	0.5
151.03946	1.0
155.10669	0.3
159.02922	0.5
161.02399	0.3
161.04453	3.2
163.07535	0.5
171.10335	0.4
173.04482	0.4
178.76830	0.3
179.03551	0.3
179.05638	0.3
191.05496	0.6
221.25462	0.3
225.14993	0.6
230.31148	0.3
244.46284	0.3
247.96904	0.3
265.18079	0.6
283.19299	1.2
291.28976	0.3
327.21796	4.6
328.22174	0.5
399.23898	5.6
400.24063	0.6
417.25012	2.4
418.24982	0.3
459.22549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23710	0.3
55.01744	0.5
56.68287	0.3
57.03322	1.1
58.00466	0.6
59.01248	100.0
60.01579	1.1
61.98686	0.5
63.10442	0.2
69.03320	0.4
69.27440	1.3
69.27872	1.3
71.01250	9.4
71.04874	0.3
72.99205	0.5
73.02821	2.3
75.00728	0.4
79.14314	0.3
83.01250	1.4
85.02817	4.1
87.00773	0.6
87.04401	0.7
89.02322	3.9
93.03324	0.4
95.01253	0.8
97.02834	0.3
99.00763	1.1
99.04401	0.5
101.02321	5.7
101.05956	1.8
111.00768	0.6
113.02324	3.9
119.03408	1.6
125.02367	0.9
135.04404	0.5
149.02487	0.3
149.04463	0.6
159.02979	0.3
161.04456	2.7
169.12383	0.2
171.10187	0.4
173.04471	0.5
179.05528	0.6
191.05565	0.6
235.16866	0.5
253.18011	0.6
254.18423	0.4
255.19420	1.1
291.18109	0.3
297.20746	0.8
327.21759	4.6
328.22073	0.5
345.59430	0.3
379.25531	0.3
399.23874	3.8
400.24319	0.5
417.24957	4.5
418.25171	0.7
423.22421	1.7
424.23157	0.4
459.20096	0.5
459.30630	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	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01694	0.9
55.01736	1.2
57.03323	99.5
57.36102	1.2
58.03652	1.2
59.01249	100.0
60.01581	2.3
69.99272	4.3
71.01258	14.2
72.76777	0.9
73.02817	4.1
81.03330	1.7
83.01246	1.8
84.43039	0.9
85.02828	7.2
87.00738	1.3
89.02321	4.6
91.57030	0.8
95.01227	1.4
99.00759	1.2
99.04395	91.9
100.04725	2.0
101.02324	26.1
113.02322	6.9
119.03345	1.8
125.02327	29.6
126.02599	1.5
132.62364	0.8
135.04341	1.0
143.03386	3.2
149.04408	1.2
151.03879	1.2
152.99480	2.2
159.02965	1.3
161.04433	5.5
173.04471	1.2
179.03316	1.0
187.07440	1.1
191.05475	3.7
315.18109	11.6
327.21719	1.8
357.19092	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	459.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98985	0.9
53.63655	0.8
57.03328	100.0
58.03668	1.6
59.01255	83.1
61.98708	2.2
67.56621	0.9
71.01266	12.4
73.02840	5.0
75.93947	0.9
76.52058	0.9
81.03329	2.0
83.01266	1.5
83.42625	0.8
85.02834	6.2
89.02323	2.1
95.01196	1.1
99.00767	1.5
99.04402	84.1
100.04732	2.0
101.02332	23.7
101.11922	0.9
113.02327	5.2
118.46278	1.0
119.03424	1.0
120.41536	0.8
121.02853	3.1
125.02351	29.1
143.03409	1.8
152.99506	1.3
159.02975	0.9
161.02394	1.2
161.04475	5.5
191.05583	1.5
223.13422	1.0
224.68968	0.9
255.71304	1.1
267.12296	1.1
315.18185	8.9
357.19125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98709	3.4
59.01249	100.0
69.82213	3.2
79.25463	2.7
80.34683	3.4
85.30421	3.5
89.02318	3.4
101.83780	3.4
125.28199	3.3
133.01404	3.3
152.47473	3.1
202.19191	3.5
229.27687	4.9
265.26044	3.1
397.22528	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	459.1507
Annotation	Paeonolide
Peak:m/z	Relative Intensity
57.03302	0.5
59.01251	15.9
71.01250	4.5
72.99174	1.7
73.02837	1.3
74.98992	0.7
83.01259	0.6
83.04900	3.2
85.02831	1.7
89.02316	2.4
93.03326	5.0
99.00702	0.6
99.92454	0.5
101.02314	3.7
102.38926	0.5
103.03900	0.5
113.02309	1.2
119.03417	1.2
119.04928	1.1
121.06493	6.7
127.03861	0.8
131.03395	0.8
136.79395	0.5
149.04384	0.8
161.02388	0.6
161.04454	1.0
163.03867	0.9
165.05479	100.0
166.05815	5.0
172.45982	0.5
191.05472	0.9
207.06551	0.6
221.61044	0.5
318.03180	0.7
327.10840	12.8
459.14453	4.1
459.18906	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	459.1871
Annotation	4'-Deoxykanokoside A
Peak:m/z	Relative Intensity
55.01755	3.0
57.03325	3.7
58.00465	1.4
59.01249	42.0
63.72529	0.6
69.03302	0.8
71.01252	27.3
72.99176	15.8
73.02811	4.8
74.98989	1.1
75.00742	0.7
77.72739	0.7
83.01259	3.9
83.04897	29.4
84.05238	0.8
85.02826	10.3
87.00756	2.4
87.20962	0.8
89.02315	17.9
93.03332	2.1
95.01265	2.3
95.04915	1.0
97.06493	1.3
99.00760	1.6
99.04404	1.2
101.02323	16.3
107.04900	1.1
109.02850	1.9
111.00793	0.8
113.02329	8.4
119.03398	7.9
119.04914	1.8
119.86033	0.7
121.06451	4.6
123.08032	1.0
124.05236	0.8
127.03884	7.6
129.01811	1.7
136.99016	1.1
139.07561	0.9
143.03358	0.7
147.08112	1.2
161.04483	2.7
163.03952	1.9
164.04263	0.8
165.05479	34.2
166.05836	1.7
167.20522	0.8
169.10107	1.6
177.09103	1.0
179.05476	1.6
180.74997	0.7
187.11240	2.1
204.11520	1.1
205.12296	1.5
217.12294	1.6
223.82954	0.7
229.31895	1.0
235.13284	2.1
237.14862	0.7
241.64951	0.9
242.10849	0.7
253.14371	1.0
261.11276	0.9
281.13934	5.3
282.14227	0.9
287.37802	0.8
295.29956	0.8
299.15048	2.1
327.10968	6.5
341.37482	0.9
415.19601	0.9
441.17639	4.5
459.18784	100.0
460.19226	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	457.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72693	0.3
51.19695	0.2
55.01754	0.5
57.03319	0.3
58.00472	0.9
59.01249	100.0
60.01592	1.0
64.30694	0.2
67.91483	0.2
69.03329	1.6
70.05093	0.7
70.05499	0.5
71.01253	17.4
72.99183	1.1
73.02819	9.2
75.00753	1.2
81.03326	0.8
83.01242	1.5
85.02821	3.5
87.00737	1.3
87.92360	0.3
89.02319	14.7
93.03377	0.4
95.01295	1.0
95.15757	0.3
97.02833	2.5
99.00755	10.2
99.04423	0.8
101.02319	10.1
109.02845	0.5
111.00777	0.8
113.02333	4.4
115.03893	3.1
115.05077	0.2
117.01855	0.4
119.03400	1.0
119.04919	0.3
121.02833	0.2
125.02332	6.4
126.02721	0.3
127.03928	0.7
130.08667	0.6
131.03423	1.9
135.04404	0.2
143.03404	2.2
148.05199	12.7
149.04463	5.5
149.05553	0.4
150.04761	0.3
155.03392	0.3
159.02974	0.5
161.04422	3.5
162.01654	0.3
163.03981	0.6
163.07547	4.4
164.81389	0.2
173.04518	0.8
173.05919	0.3
175.06068	0.3
177.97365	0.2
179.05583	0.4
179.10847	0.3
187.07579	1.5
191.05531	4.2
202.06305	0.8
223.13344	0.4
228.43671	0.3
231.10323	0.7
233.06621	16.0
234.06992	0.9
263.12918	0.7
293.08780	6.9
294.09253	0.7
307.11841	0.8
325.13040	0.6
337.99570	0.3
397.22510	1.7
413.24127	1.0
413.54828	0.3
415.23566	1.1
457.24823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23825	0.3
55.01762	0.7
57.03317	0.9
58.00475	0.6
59.01250	100.0
60.01583	1.5
60.93565	0.3
69.03338	0.5
69.20217	1.8
69.20643	1.3
71.01254	15.5
71.04923	0.3
72.99191	1.0
73.02813	5.3
75.64276	0.3
81.03343	0.5
83.01270	1.7
85.02822	5.2
87.00776	1.1
89.02316	10.7
93.03347	1.1
95.01277	1.3
95.06168	0.3
97.02827	0.3
97.06474	0.5
99.00784	0.8
99.04432	0.4
101.02323	8.5
111.04398	0.4
113.02329	9.6
117.46732	0.3
119.03395	4.9
119.04903	0.3
123.08068	0.3
125.02335	0.4
131.03424	1.0
133.02856	0.3
133.31281	0.3
135.04446	0.8
135.08087	0.3
137.02315	0.5
143.03403	0.9
149.02385	0.3
149.04504	1.1
149.09628	0.3
149.58810	0.3
161.02463	0.3
161.04456	2.6
163.03918	1.5
173.04486	1.2
178.06296	1.3
179.05574	1.2
191.05545	4.2
193.08620	2.4
215.07155	0.4
227.06915	0.3
250.50146	0.4
289.18137	1.0
307.19226	0.4
325.20258	0.8
397.22336	3.3
398.22787	0.5
415.23306	3.1
416.23550	0.5
469.82025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30125	0.3
59.89174	0.3
69.50642	0.8
69.51067	1.3
99.92464	4.6
100.93230	2.1
105.57729	0.2
115.91962	100.0
116.91969	5.6
116.92749	6.3
132.92253	1.2
142.94395	0.4
155.95058	0.3
163.43974	0.3
172.95395	6.3
205.70772	0.3
269.22833	0.3
283.26422	0.7
355.51740	0.3
383.19128	0.7
397.43036	0.3
399.18091	0.4
409.20471	0.7
457.22589	5.1
458.22729	0.8
464.02075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
56.93250	0.3
57.03322	0.8
58.00473	1.5
59.01250	100.0
60.01597	1.2
61.98706	0.3
63.34659	0.3
69.03009	0.3
69.03317	1.6
69.30294	1.6
69.30710	1.0
71.01253	35.5
72.01602	0.7
72.99185	1.2
73.02818	43.3
74.03161	0.8
75.00735	0.5
81.03364	0.7
83.01259	12.3
83.04918	0.4
85.02825	5.5
87.00758	1.4
89.02319	16.9
93.03335	0.4
95.01240	1.7
97.02818	0.8
99.00790	1.1
101.02326	44.1
102.02677	0.8
113.02336	16.5
119.03392	7.8
125.02342	1.7
125.92988	0.3
131.03410	3.3
143.03398	4.0
143.04465	0.5
149.04468	5.1
155.03458	1.1
161.04466	13.5
162.04799	0.5
173.04414	0.5
179.05565	2.9
179.14348	2.9
191.05544	0.7
203.05537	1.0
221.06616	2.3
235.16882	1.5
253.18047	6.9
254.18414	0.3
262.22650	0.3
277.18124	0.4
278.85767	0.4
298.83066	0.3
319.18961	0.3
397.17444	0.5
397.22296	6.9
398.22427	0.8
415.23361	8.1
416.23550	1.6
457.24371	3.9
458.24503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
57.03311	1.7
58.00447	2.0
59.01250	66.0
61.98709	0.9
67.01743	1.0
67.69167	0.7
69.03316	5.0
71.01254	51.2
71.44254	1.3
72.01588	0.7
72.99175	2.2
73.02396	1.6
73.02817	44.1
75.00743	5.9
81.03320	3.0
83.01260	4.9
85.02827	8.7
87.00766	3.7
89.02317	45.2
93.03317	2.0
95.01257	1.1
97.02833	10.9
99.00755	51.7
99.04390	4.4
100.01075	1.3
101.02322	36.3
102.02699	0.8
109.02822	1.1
111.00764	4.2
113.02325	6.9
115.03896	15.7
117.01837	1.3
119.03403	2.2
119.04897	0.7
119.29566	0.7
121.02844	1.1
121.06501	0.8
125.02338	23.6
127.03904	2.5
131.03384	8.2
134.03630	2.8
135.04396	1.2
136.01546	0.9
137.02325	0.8
138.76271	0.7
143.03412	7.1
147.04375	1.3
148.05205	68.7
149.04469	20.0
149.05591	2.5
155.03484	1.1
159.04266	0.9
161.04446	6.3
163.07555	18.8
164.07875	0.9
173.04453	3.8
173.05872	0.9
175.06032	1.5
177.05650	1.0
179.10710	1.1
187.03911	1.0
187.07538	7.7
191.05540	19.5
202.06291	3.3
203.05466	1.3
208.21790	0.7
215.05414	1.6
215.07224	1.0
231.10223	3.0
233.06621	100.0
234.06940	4.7
252.45953	0.8
263.12921	2.3
275.09293	1.2
289.10519	0.9
293.08780	45.7
294.09155	2.7
307.11856	1.9
325.12869	2.2
415.23361	2.6
458.13174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01252	100.0
60.01583	1.5
61.98701	1.6
71.01254	11.1
71.04166	1.7
72.99173	1.0
73.02822	6.4
81.03304	0.7
83.01272	1.3
85.02824	3.8
87.00778	2.5
89.02316	6.1
93.03336	2.4
97.06469	1.5
101.02326	7.0
102.98417	1.0
109.02830	1.0
111.04440	1.4
113.02348	3.9
119.03391	2.7
119.04903	1.8
121.02856	1.6
133.02844	0.8
135.04436	5.2
149.02359	1.6
149.04480	2.8
155.03334	0.9
159.50986	0.9
161.04515	2.0
163.03920	43.5
164.04276	2.9
165.01849	0.8
166.02687	0.9
168.50528	0.9
173.04501	4.2
178.06265	37.9
179.06683	1.1
191.05557	10.6
193.08627	65.4
194.09026	4.0
229.05392	0.8
253.18156	3.3
258.82068	0.8
271.20325	1.4
304.16727	0.7
325.20206	2.4
361.55789	0.8
378.75125	0.9
397.22308	2.8
413.79959	0.9
415.23322	4.2
457.30560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15288	0.6
55.01760	1.2
57.03328	4.7
58.00460	2.2
59.01248	100.0
60.01582	0.9
60.70039	0.6
61.98682	1.0
62.42150	0.6
69.03331	2.0
69.23811	1.3
69.24213	4.4
71.01252	48.7
72.01579	1.2
72.99178	3.8
73.02816	45.1
74.03117	1.1
81.03333	1.0
83.01265	6.5
85.02824	8.7
87.00747	4.2
89.02316	45.3
93.03345	5.4
95.01259	2.7
97.02825	1.9
99.00755	96.4
99.04402	3.2
100.01096	2.0
101.02322	28.9
102.02691	0.7
105.01804	0.9
109.02880	0.9
111.00764	1.0
111.04424	0.7
113.02327	17.6
119.03386	6.1
121.02852	0.9
125.02327	6.9
131.03398	15.1
133.02846	0.9
134.03627	1.7
135.04395	2.6
135.09908	0.8
137.02338	1.6
143.03421	3.9
145.02815	2.5
149.04457	58.9
150.04764	2.0
151.03938	5.6
155.03375	4.0
158.03648	0.9
159.04393	2.0
161.02335	1.0
161.04460	10.8
161.05844	1.1
163.03925	0.6
172.05287	0.9
173.04422	1.7
173.05959	2.3
177.09131	1.0
179.03433	1.5
179.05486	1.3
187.03883	2.4
187.07558	22.6
191.05540	43.5
192.05853	1.5
201.05450	2.5
202.06256	9.0
203.05479	12.3
213.09058	2.4
215.07086	4.0
221.06604	0.7
231.10199	8.4
233.06512	4.7
239.07004	0.9
245.11627	0.9
251.16417	1.0
253.08607	2.0
263.12930	4.7
275.09332	5.0
281.13867	0.7
307.11893	5.3
308.12439	0.7
325.07095	2.5
325.12881	5.7
326.13086	0.9
415.15964	7.3
439.15771	2.5
440.64792	1.1
457.11465	0.9
457.17026	12.0
458.17413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.9
69.80457	0.7
69.80867	1.3
71.01250	3.7
72.99171	1.3
75.00735	0.4
77.66638	0.3
83.04893	0.7
85.02801	1.0
87.00746	0.7
89.02313	2.1
99.00764	0.4
101.02309	1.9
105.01812	0.5
112.91131	0.3
113.02319	1.4
119.04913	68.1
120.05246	3.1
121.02822	0.4
121.06544	0.4
123.08075	0.7
131.03375	1.0
144.28908	0.3
148.03963	0.5
149.04427	0.6
161.04457	0.5
163.03915	100.0
164.04237	4.5
166.84915	0.3
171.11775	0.4
189.12700	0.4
201.23688	0.3
277.10904	0.5
281.13947	1.1
297.13382	0.7
325.09256	8.1
326.09555	0.6
379.07434	0.4
437.40445	0.4
457.12521	1.5
457.17169	5.5
458.17728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76003	0.4
59.01242	3.2
70.40397	1.7
71.01252	1.5
81.82177	0.5
89.02315	2.7
93.03300	0.8
101.02343	0.9
113.02386	0.5
119.04913	100.0
120.05247	4.7
121.02867	2.6
122.03185	1.1
130.28265	0.4
137.20695	0.5
148.03941	6.7
149.04359	4.7
151.09184	0.4
163.03915	99.6
164.04265	4.5
191.05466	0.6
208.94925	0.5
325.09219	5.8
326.09589	0.6
457.12827	6.1
457.18781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
58.00476	4.3
59.01254	64.5
70.78006	5.7
71.01256	46.0
72.99179	8.0
73.02818	2.8
75.00723	2.3
83.01270	3.1
83.04910	4.8
85.02830	14.4
87.00769	4.8
89.02328	39.4
95.01275	3.9
95.04882	2.2
97.68091	1.9
99.00789	4.5
101.02326	27.4
106.86859	1.9
107.04902	2.0
109.02837	3.1
111.04414	2.2
113.02326	16.7
119.03471	15.8
119.04919	58.9
120.05205	2.1
121.02856	7.7
121.06478	3.1
122.03218	4.3
123.08072	5.4
135.04416	2.1
146.56743	1.8
148.03969	16.8
148.05093	2.6
149.04309	11.3
161.04422	2.5
163.03922	45.7
165.05490	3.9
171.11725	6.8
179.05626	2.4
189.12726	11.1
233.11754	4.0
277.10757	8.6
281.13995	3.3
297.13684	1.9
325.09454	3.8
457.17215	100.0
458.17801	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	455.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46201	0.4
57.03324	90.2
58.03665	1.7
59.01251	100.0
60.01583	1.3
61.98691	2.2
63.84902	0.4
64.38610	0.4
69.39594	0.4
70.52363	1.4
71.01254	4.8
72.99178	0.5
73.02827	2.4
73.03220	0.3
75.00772	0.4
81.03333	3.4
83.01259	1.4
85.02808	2.3
87.00719	0.6
89.02294	2.1
93.03350	0.6
95.01215	0.5
99.00749	0.6
99.04396	86.0
100.04705	2.7
101.02323	16.5
113.02347	2.7
119.03439	0.7
125.02335	31.9
126.02682	1.3
131.03362	0.5
133.02808	1.0
135.04433	1.5
143.03387	1.4
146.03612	0.8
147.04399	0.8
149.04439	2.6
151.03905	0.6
161.02333	0.9
161.04472	1.7
165.03984	0.5
172.05226	0.4
173.04488	0.8
174.03017	0.4
175.03925	0.9
175.07591	0.7
177.87199	0.4
179.03421	1.1
187.07626	0.8
191.05511	1.1
201.05386	0.4
201.09175	0.9
203.03552	0.4
207.06633	0.6
208.32404	0.4
216.77310	0.4
219.10216	0.7
229.08601	1.5
231.10066	0.6
261.11185	0.9
269.10236	1.8
275.09094	0.4
297.55942	0.4
311.11182	1.2
432.76114	0.4
455.15210	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	455.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.2
59.01250	40.4
69.03330	0.8
71.01252	40.4
71.28794	1.9
72.99165	2.2
73.02823	15.5
74.03186	0.7
85.02814	3.2
87.00732	2.1
88.00299	0.9
89.02319	70.5
90.02653	1.0
97.02826	1.2
99.00760	39.2
100.01060	1.2
101.01711	1.4
101.02323	18.8
107.98466	0.8
113.02314	4.3
125.02328	3.9
131.03403	10.7
131.58260	0.7
137.02324	2.0
149.04463	22.3
150.04744	0.9
161.04448	2.3
161.08156	0.9
163.04016	1.0
166.02603	1.7
181.04915	1.4
191.05525	10.1
221.06609	0.9
251.07617	1.4
285.43384	0.7
376.08978	0.8
410.88861	0.8
443.86362	0.9
455.17694	100.0
456.18057	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	455.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	1.7
59.01249	28.1
62.98081	0.3
69.45605	2.7
71.01254	25.8
72.99178	1.5
73.02818	10.8
77.24421	0.3
83.04907	0.4
85.02808	1.9
87.00766	1.9
89.02316	54.2
90.02631	0.8
97.02826	0.5
99.00756	27.3
100.01084	0.5
101.02321	16.2
113.02348	2.4
119.03378	1.0
125.02316	2.8
131.03404	8.3
135.04425	0.6
149.04456	22.0
152.01059	0.4
161.04485	1.7
161.08127	0.9
163.03952	0.4
165.01816	0.4
166.02623	1.1
181.04962	1.3
183.02902	0.5
191.05527	9.1
192.05974	0.4
195.06664	0.6
211.06058	1.2
221.06598	0.5
251.07802	1.8
296.44925	0.4
328.65436	0.4
405.91006	0.4
429.72623	0.5
455.17682	100.0
456.18076	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	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.6
58.00478	3.2
59.01254	100.0
60.21449	2.7
61.98693	5.7
64.80849	2.4
71.01254	46.3
71.49588	4.0
72.99200	2.8
73.02824	34.0
81.03312	2.7
83.01251	10.5
85.02824	11.4
87.00739	3.8
89.02329	38.9
99.00770	9.7
101.02324	44.3
107.04907	4.4
107.47710	2.4
109.78203	2.8
110.32702	2.6
113.02312	11.8
113.70621	2.6
115.43833	2.4
119.03385	11.6
122.03574	2.6
122.34187	2.7
125.02280	4.1
127.65527	2.5
128.34305	2.4
131.03387	4.9
134.03622	5.4
135.04402	7.9
135.45493	2.6
136.07567	6.1
137.05931	5.0
138.05463	4.8
141.01973	2.8
149.04456	17.6
155.07851	2.9
159.04378	5.0
161.04478	9.5
165.01852	7.3
173.05952	4.2
180.04320	3.8
187.03987	3.9
187.07582	20.1
191.05515	10.8
195.06590	9.9
201.05403	4.3
202.06287	23.4
213.09177	2.9
225.07620	3.0
231.10225	58.7
232.10651	6.3
279.14499	9.7
321.18716	4.6
393.17410	11.8
411.16595	59.1
412.17136	5.4
415.16272	3.0
453.12109	9.1
453.17661	32.3
453.23364	5.0
454.17889	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.1
57.03305	4.1
57.26652	2.5
59.01252	68.6
61.00888	3.1
71.01253	41.6
72.99181	3.8
73.02817	26.6
75.00720	3.6
80.45432	2.5
83.01269	6.6
83.04874	2.9
85.02828	20.0
87.00742	6.9
89.02317	40.0
95.01310	2.7
99.00754	8.8
101.01688	4.8
101.02323	42.9
103.03876	2.8
111.00733	2.5
111.08008	4.7
113.02328	15.1
119.03354	6.8
119.04913	11.7
125.02338	17.0
127.07455	3.5
131.03355	6.8
135.04430	3.3
149.03323	5.2
149.04463	94.1
149.05664	4.6
150.04712	2.5
151.03925	3.7
157.03040	7.9
159.02878	3.1
159.10153	4.8
161.04413	14.4
163.03951	6.1
165.01833	9.3
167.03444	3.4
173.04486	3.8
173.08089	6.3
175.04100	9.3
179.03375	6.2
179.07002	3.4
180.04193	7.9
187.07544	2.6
189.07608	2.8
191.05533	8.4
195.06566	5.5
225.07640	4.8
229.51186	2.5
235.11838	27.0
261.13391	26.2
277.12921	10.4
321.11780	4.7
321.15515	19.0
335.17023	3.3
378.08020	2.8
393.17642	100.0
394.17865	8.3
453.12003	25.8
453.18396	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	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.9
78.95782	46.6
95.16085	1.6
96.96848	4.9
98.19792	4.1
125.09653	1.5
130.61475	1.7
145.02849	3.8
152.48906	1.5
152.99504	61.7
160.43034	1.5
171.00563	16.2
192.33336	1.7
225.18558	67.7
226.18910	3.8
227.03168	3.4
229.15840	1.8
245.04292	100.0
246.04523	2.3
403.24533	1.8
453.22614	35.9
453.28830	3.7
454.23096	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	453.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61593	0.8
57.03315	1.8
58.00484	0.9
59.01250	100.0
60.01585	1.2
69.03324	1.5
71.01254	33.9
71.30753	1.4
72.99180	2.4
73.02818	55.6
75.00738	1.0
83.01263	12.1
85.02824	11.7
87.00757	6.0
89.02312	15.0
95.01254	4.2
96.87052	0.7
97.02823	1.4
97.06471	3.7
99.00787	1.2
101.02324	57.8
102.02667	1.5
103.03893	4.9
104.74397	0.7
105.03379	1.1
105.30643	0.8
113.02328	29.5
119.03390	19.5
121.02834	0.8
123.04406	15.0
124.04750	0.9
125.02323	1.7
131.03421	4.3
133.02815	1.5
134.03633	54.3
135.04440	4.9
143.03384	5.7
149.02431	2.0
149.04483	8.8
150.03107	7.2
151.03915	64.3
152.04253	1.5
153.05382	1.1
155.03444	1.1
161.04469	16.9
179.05461	1.4
189.43214	0.9
191.05653	1.5
203.10750	2.0
213.09216	1.8
221.06548	10.3
231.10242	4.2
241.07979	0.8
284.29401	0.9
289.10794	1.2
299.01688	0.9
313.09314	2.8
355.10355	11.2
356.10880	4.1
411.16498	1.8
440.57574	0.8
453.17438	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	453.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70737	1.7
55.01756	1.7
57.03333	1.9
58.00464	3.0
59.01250	100.0
61.98688	5.7
69.03319	3.3
71.01254	50.0
71.07563	2.9
72.99183	3.8
73.02821	31.6
81.03345	2.3
83.01265	7.2
85.02386	2.2
85.02812	12.5
85.83212	1.5
87.00776	4.7
89.02316	42.3
93.03352	5.2
95.01278	2.3
98.78336	1.6
99.00761	13.4
101.02325	50.1
107.04906	6.8
113.02341	14.0
119.03414	11.1
123.04452	1.7
125.02326	4.3
131.03406	7.0
134.03613	2.2
135.04405	5.0
136.07585	6.5
137.02263	2.2
137.06013	3.0
138.05519	1.9
143.03421	3.6
147.04440	1.7
149.04469	21.7
151.03860	3.6
157.03049	3.0
157.04958	4.3
159.04396	2.0
161.02309	2.9
161.04503	8.1
165.01883	2.5
172.05283	1.8
173.04521	3.2
173.06012	6.6
174.06783	3.8
179.03391	1.8
180.04109	2.1
187.03952	4.6
187.07564	22.6
188.07962	2.0
191.05530	9.9
195.04993	2.9
195.06604	4.4
195.29312	1.9
201.05595	2.8
202.06302	16.9
203.10703	3.0
213.09235	2.9
216.07875	2.0
231.10231	49.4
232.10599	5.0
249.11282	3.4
259.14432	2.6
279.08572	1.8
279.14389	4.8
291.07056	2.3
309.08191	2.3
314.05472	1.8
321.19232	5.5
359.60968	1.8
380.19601	2.0
381.16223	2.0
393.17789	20.8
394.18015	3.8
411.16522	44.5
412.16855	4.8
415.16132	4.2
420.63834	1.8
453.12054	11.0
453.17813	32.9
453.23413	4.8
454.17963	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	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92387	0.8
55.01754	1.2
57.03322	5.2
58.00475	1.6
58.29469	0.8
59.01250	100.0
60.01584	1.7
69.03319	1.7
69.37559	4.1
69.37976	2.7
71.01250	35.7
72.99186	1.4
73.02818	69.7
74.03152	0.9
83.01260	16.8
83.01728	1.5
85.02828	8.2
87.00749	4.7
89.02310	9.8
92.09167	0.8
95.01283	2.3
97.06456	1.9
99.00732	1.2
101.02321	60.5
102.02641	1.1
103.03886	38.0
113.02325	24.9
119.03390	18.5
122.03622	1.3
123.04402	10.2
125.02295	0.9
131.03453	4.9
132.38496	0.7
133.02878	1.5
134.03630	81.1
135.04492	3.8
143.03391	6.7
149.02354	2.1
149.04443	8.3
150.03123	2.8
151.03915	55.2
152.04282	2.5
153.05466	1.6
161.04466	23.7
161.24123	0.7
183.63687	0.8
191.05556	1.1
203.05600	1.4
203.10681	0.9
221.06621	12.1
222.06868	1.1
230.59184	0.9
231.10205	4.0
232.10689	0.9
235.10129	0.8
313.09271	3.3
314.09766	0.9
330.05273	0.8
355.10297	7.5
356.10910	4.1
357.11667	1.5
411.16507	2.0
448.03616	0.8
453.17322	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	453.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
58.00468	1.6
59.01251	100.0
60.01599	1.2
67.11022	0.7
69.03333	1.5
69.11944	0.6
69.25559	5.1
69.25979	2.4
71.01254	33.0
72.99176	1.5
73.02821	71.6
74.03171	1.5
74.35436	0.6
75.00763	0.9
83.01260	18.3
85.02818	7.1
87.00746	4.2
89.02312	11.1
93.03362	0.7
95.01268	2.1
95.23881	0.8
97.02816	1.2
97.06485	1.7
98.19818	1.2
101.02325	72.7
102.02694	1.9
109.02832	0.8
113.02334	24.8
119.02585	1.6
119.03398	20.3
123.04415	10.9
125.02374	1.5
128.71761	0.8
131.03380	4.9
133.02847	1.3
134.03635	96.7
135.04324	3.7
143.03409	7.9
149.02345	1.0
149.04446	11.2
150.03146	4.8
151.03918	55.4
152.04240	2.7
153.05475	1.1
161.04465	30.1
162.04771	1.1
177.51010	0.8
179.05566	1.4
187.07671	0.8
203.05467	1.8
203.10762	1.6
213.09158	1.1
221.06619	13.6
231.10239	4.8
235.63594	0.9
239.17833	0.8
313.09225	3.1
315.10971	0.8
355.10321	12.7
356.11057	5.0
357.11728	0.9
411.16528	2.0
453.17712	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	453.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
58.00470	2.0
58.10405	0.8
59.01249	100.0
60.01579	1.1
66.73345	0.7
69.03342	1.2
69.33078	7.3
71.01253	28.0
72.99164	1.4
73.02819	54.8
76.00352	0.8
81.03333	0.8
81.25980	0.7
83.01254	16.8
83.01727	1.3
85.02819	5.5
87.00741	3.4
89.02313	8.5
93.03370	0.9
95.01296	2.5
97.06489	1.7
99.48616	0.8
101.02320	54.2
102.02639	1.0
113.02328	17.5
114.02644	1.0
119.03401	12.7
121.02850	1.3
123.04409	9.7
125.02351	2.1
128.92348	0.8
131.03403	4.7
133.02798	1.5
134.03632	69.6
135.04509	4.3
143.03352	4.9
149.02402	1.8
149.04457	8.7
150.03096	4.5
151.03915	42.9
152.04259	1.9
153.05441	1.2
161.04451	17.0
162.04811	1.0
179.03389	1.3
202.20084	0.8
203.05482	1.0
203.10735	1.5
221.06635	8.9
231.10265	3.8
313.09476	1.8
355.10287	6.0
356.10864	2.4
453.17850	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	453.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03310	0.5
59.01249	29.4
61.00875	0.6
61.98700	1.1
68.37759	0.3
69.45507	2.5
70.13883	0.4
71.01252	9.2
72.99182	0.3
73.02816	8.4
76.97005	0.3
83.01258	1.1
83.04884	0.4
84.76221	0.3
85.02827	2.6
87.00740	2.6
87.77084	0.3
89.02316	26.6
97.02833	0.4
99.00747	0.5
99.08060	0.4
101.02319	6.1
103.00237	0.4
103.03883	2.1
111.08052	0.8
111.77998	0.3
113.02331	1.5
115.01968	0.4
119.04884	0.9
125.02396	0.6
127.07536	2.2
129.05450	0.7
131.03389	8.0
135.04472	0.5
137.02402	0.4
149.04457	100.0
150.04802	2.9
153.01822	0.7
157.03032	1.5
159.53230	0.4
161.02344	0.5
161.04456	2.6
163.03902	0.9
165.01808	0.8
171.06474	0.5
173.08130	0.6
175.04120	0.9
179.03375	0.6
180.04245	0.3
187.07494	0.5
187.70192	0.4
189.07614	2.7
191.05548	1.5
195.06612	0.9
202.06352	0.3
225.07668	0.5
231.10394	0.5
235.11832	21.9
236.12154	1.6
277.12900	4.2
289.07166	0.5
321.11856	0.8
321.15308	0.6
411.16681	0.5
446.90588	0.3
453.12009	2.0
453.17584	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	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96277	0.4
66.29910	0.2
66.68555	0.2
78.19299	0.2
78.95778	22.7
79.26804	0.1
90.11796	0.1
96.96824	0.4
98.39325	0.2
122.00027	0.6
134.98422	0.3
140.01085	4.9
152.99496	2.2
153.00639	0.3
166.02635	0.2
171.00624	1.1
196.03737	9.6
197.03957	0.2
214.04822	2.3
237.22197	0.2
255.23273	100.0
256.23624	8.0
268.45557	0.2
284.53946	0.2
383.73514	0.2
427.96487	0.2
452.27832	27.4
453.28241	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	453.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22515	0.8
55.01762	5.8
55.44798	0.8
57.03328	4.0
58.00457	0.9
59.00956	1.7
59.01249	22.8
60.05661	0.9
61.98707	8.1
63.07338	0.7
71.01251	13.6
71.49537	1.3
72.99189	1.1
73.02827	4.8
75.00751	3.7
75.93418	0.9
78.05841	0.9
83.04893	8.3
85.02822	4.6
87.00764	2.1
89.02318	14.4
99.00772	1.4
101.02325	8.0
109.06465	2.7
111.08041	82.3
112.08392	3.8
113.02343	3.3
113.09623	1.0
119.03403	2.7
119.04925	0.8
121.02930	0.9
125.02354	1.1
129.01823	3.2
129.09109	4.4
131.03377	2.6
141.09126	3.6
143.07063	0.8
147.02924	2.0
149.04453	21.4
155.06993	1.2
159.10164	9.3
161.04498	0.9
165.01845	3.9
165.03949	1.9
173.08105	100.0
174.08447	3.8
178.25972	0.8
180.04167	2.1
191.05484	2.0
195.06563	6.1
202.40230	0.8
225.07593	1.1
235.11754	5.6
305.12442	16.7
306.12540	1.2
321.11871	14.5
321.15552	38.4
322.15796	2.5
453.15555	33.9
454.16571	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49575	1.3
59.01250	75.9
60.01588	10.5
61.01670	7.1
61.98701	100.0
62.02002	1.6
63.84473	1.3
66.16384	1.3
69.47941	8.6
71.01241	5.6
73.02814	1.6
75.00740	2.0
83.04931	1.7
85.02836	2.3
89.02307	5.1
101.02324	5.2
111.08047	11.3
113.02303	2.3
119.03404	2.2
119.45297	1.4
141.09114	3.0
143.07042	3.0
149.04446	1.4
161.04439	1.5
161.08049	1.2
173.08105	12.3
174.72000	1.3
203.09149	1.8
249.41136	1.3
291.10757	4.7
321.15533	1.8
344.67801	1.5
391.22269	1.6
392.22903	2.2
453.15689	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
55.51579	0.6
57.03325	2.7
58.00462	4.6
59.01253	100.0
60.01576	0.8
70.97026	1.6
71.01255	62.1
72.01617	1.4
72.99184	6.7
73.02839	1.8
83.01269	2.1
85.02823	9.0
87.00769	2.6
89.02320	85.0
90.02664	1.8
94.98013	0.6
95.01290	3.5
98.42692	0.8
101.02327	35.0
102.02665	0.7
113.02333	23.7
114.02682	1.1
119.03392	40.3
120.03747	1.1
131.03407	2.8
131.51358	0.7
143.03386	6.9
149.04497	3.0
161.04451	7.5
173.72495	0.7
179.05537	24.4
240.11743	0.6
272.65475	0.7
287.18549	4.4
372.92166	0.7
449.23926	53.5
450.24283	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	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03326	0.3
59.01250	100.0
60.01582	1.4
61.01670	0.3
61.98709	2.1
69.03329	0.3
71.01254	6.7
71.04881	0.3
71.49368	0.3
72.99203	0.5
73.02824	2.5
75.00754	0.5
83.01277	1.1
83.04909	0.3
85.02819	2.9
87.00767	0.8
89.02311	2.6
89.02764	0.2
93.03345	1.2
95.01289	0.5
99.00739	1.2
101.02322	5.4
111.00813	0.3
111.04403	0.3
111.08060	0.5
113.02328	2.4
115.03924	0.2
119.03398	1.2
119.04919	0.6
119.94121	0.2
122.54902	0.2
125.02371	0.4
131.03441	0.2
134.03632	0.6
135.02887	0.5
135.04451	0.5
141.09067	0.3
143.03391	0.3
143.07047	0.3
149.04440	1.2
156.03432	0.4
159.02928	0.7
159.04364	0.3
161.04446	3.7
163.03943	0.7
171.02997	0.3
173.04564	0.5
173.06030	0.7
173.08130	0.6
174.04716	0.4
176.04791	0.3
179.03452	0.3
179.05598	0.3
187.04016	0.4
187.06000	0.6
187.07651	1.3
187.09653	0.3
188.07976	0.7
189.08125	0.3
191.05545	2.5
192.05965	0.9
193.06157	0.5
202.06306	0.5
205.08691	0.7
229.18022	0.3
231.10323	0.3
233.10841	0.4
275.09290	0.7
276.09717	1.1
277.09708	1.3
291.12500	0.2
293.42755	0.2
295.11682	0.2
301.20053	0.3
319.17679	0.5
319.21112	2.0
328.70853	0.3
331.17392	0.3
349.18692	0.6
391.18610	0.3
391.23413	6.3
392.23932	0.5
435.22479	2.1
436.22879	0.4
451.16858	0.4
451.25488	1.0
452.12604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15555	0.2
59.01248	6.5
59.44437	0.2
69.05832	0.2
69.34930	0.5
69.35332	1.5
71.01246	1.8
73.02811	2.2
80.57339	0.2
81.03297	0.3
82.02860	0.5
83.01245	0.7
84.04397	0.6
85.02805	1.4
87.00757	0.4
89.02322	1.0
93.03341	0.4
97.06480	0.3
100.03903	0.3
101.02311	3.1
102.05482	52.8
103.05818	1.2
113.02332	1.8
114.05509	0.7
116.18223	0.2
119.03399	1.0
123.04409	0.6
128.03421	45.8
128.47369	0.2
129.01843	0.2
129.03751	1.4
131.03374	0.3
133.02864	0.3
134.03654	2.6
136.07520	0.2
143.03329	0.4
146.04485	100.0
147.04851	3.2
149.02344	0.3
150.03125	0.3
151.03912	2.3
161.04462	0.9
173.04485	0.3
191.05496	0.8
221.06592	0.5
231.10201	0.3
355.10312	0.3
374.15973	0.3
392.17007	1.1
411.16922	0.3
434.18225	1.0
452.19217	9.9
453.19470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01249	100.0
60.01590	1.2
61.98695	2.1
67.01767	1.2
68.53361	0.4
69.03338	0.4
69.57384	2.4
69.57790	0.6
70.88583	0.4
71.01252	7.1
73.02805	2.1
83.01269	1.2
83.04889	0.8
85.02823	5.3
87.00756	1.7
89.02303	2.8
93.03337	6.6
94.55363	0.4
95.01254	0.6
98.20533	0.8
99.00761	0.7
101.02328	4.4
109.02850	0.6
111.04416	1.7
113.02332	2.6
119.03407	1.8
123.08006	0.5
125.02306	0.9
127.03928	0.7
131.30386	0.4
141.09114	5.1
143.03433	0.8
146.03690	0.5
149.04472	0.8
155.03448	1.4
158.03658	1.7
159.03114	0.7
159.04408	3.5
161.04463	4.6
172.05197	0.6
173.04509	9.5
173.05998	1.9
174.04770	0.6
174.06792	0.8
175.07501	0.9
179.05560	1.2
185.08113	3.7
187.03989	1.0
187.07568	9.5
188.07913	1.1
191.05537	25.9
192.05896	1.2
201.05537	0.9
202.06282	2.3
203.10725	1.7
213.09094	2.0
215.07112	1.5
231.02234	0.4
231.10225	8.1
232.10684	0.7
257.05789	0.4
257.08084	2.3
269.04553	0.5
274.34076	0.5
275.06235	1.0
275.09241	19.4
276.09561	2.4
289.61441	0.4
317.12305	2.1
317.20062	0.6
389.21805	10.5
390.22147	1.2
401.12494	0.5
433.20724	1.1
449.15277	3.0
449.24069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65306	0.5
59.01252	100.0
60.01586	1.5
61.88351	0.4
69.97595	2.7
71.01254	7.5
73.02831	0.6
85.02837	1.1
85.99272	0.6
89.02312	8.1
93.03363	0.6
101.02317	3.7
113.02321	3.1
119.03392	4.9
125.02389	1.7
135.45914	0.5
143.03456	0.9
149.04454	1.3
154.66222	0.7
159.04514	0.6
161.04526	2.3
173.04561	0.8
179.05597	1.8
187.07652	1.0
191.05505	2.4
229.04881	0.7
231.10184	0.8
259.06049	2.5
275.09372	3.1
283.06229	1.1
287.05661	1.9
389.21762	4.5
421.11255	0.6
429.61606	0.6
449.24069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
55.94820	0.5
57.03325	2.0
58.00479	4.0
59.01254	100.0
59.11707	0.5
60.01600	1.5
61.17090	0.5
69.17784	1.4
69.18193	4.6
71.01258	52.4
72.01604	1.1
72.99181	3.4
73.02814	1.9
83.01273	2.3
83.04901	1.2
84.66853	0.5
85.02824	10.3
87.00758	3.5
89.02322	76.2
90.02675	1.2
93.03339	2.4
95.01263	3.7
98.19751	1.3
99.04402	0.6
101.02324	30.4
111.04434	1.8
113.02332	21.6
119.03395	36.5
131.03424	3.5
131.30244	0.5
143.03413	5.9
146.03636	0.8
149.04457	2.8
155.03421	1.6
158.03654	3.7
159.04419	6.4
160.55295	0.7
161.04469	8.4
172.05209	1.5
173.04460	5.6
173.06000	3.2
174.06790	1.5
179.05545	28.6
180.05898	1.1
185.06041	0.9
187.03955	1.7
187.07574	15.8
188.07912	1.3
191.05562	18.0
192.05835	0.7
201.05528	1.1
202.06215	3.7
203.10704	3.0
213.05531	0.8
213.09087	1.3
213.14906	0.8
215.07080	1.3
231.06648	1.3
231.10197	11.1
257.08295	0.8
275.09274	45.9
276.09625	4.3
287.18668	13.2
348.08539	0.6
389.21744	1.1
449.15186	3.7
449.23926	83.2
450.14682	0.9
450.24292	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	449.2394
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01736	0.8
57.03311	1.1
58.00466	4.3
59.01255	80.3
69.24733	2.6
69.25158	5.1
71.01257	50.0
72.99191	2.3
73.02804	1.8
83.01273	1.5
85.02824	10.5
86.39198	0.7
87.00754	5.7
87.74603	0.8
89.02322	79.1
89.53101	0.7
90.02660	1.6
93.03345	6.2
95.01256	2.3
95.16825	0.7
98.20655	1.4
101.02328	25.4
103.81680	0.7
111.04384	1.1
113.02338	21.3
113.03081	1.5
119.03397	34.9
120.03712	0.8
125.02337	1.2
127.03938	1.2
131.03375	4.2
133.02837	0.9
141.06789	0.7
143.03409	9.7
149.04436	3.8
155.03476	0.8
161.04469	13.1
165.12872	0.9
173.04492	8.5
179.05537	61.4
180.05882	2.2
187.07567	3.7
191.05550	50.5
192.05885	2.9
197.15508	0.9
202.06371	0.9
215.07059	1.4
219.13875	4.7
231.10286	4.3
237.14890	5.0
239.16536	1.1
257.08145	4.3
269.17557	5.1
270.17944	1.0
275.09265	11.9
287.18735	2.9
389.21744	0.8
449.23938	100.0
450.24310	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87650	1.3
57.03333	1.5
58.00450	5.3
59.01247	100.0
60.01582	2.5
71.01249	60.6
71.07546	1.3
71.28546	2.9
72.99171	5.9
73.02803	3.4
83.01237	2.7
85.02824	9.7
87.00733	2.6
89.02313	91.0
90.02609	2.1
95.01253	4.1
97.02800	1.7
101.02321	39.7
102.02650	1.5
113.02329	26.9
119.03389	41.6
131.03374	3.8
143.03429	8.4
149.04402	4.4
161.04462	8.5
179.03920	2.3
179.05524	41.9
180.05827	1.6
191.05547	2.6
221.72366	1.4
253.15024	1.5
269.17545	2.2
287.18652	16.3
449.23871	98.8
450.24271	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60276	0.3
59.01250	100.0
60.01596	0.8
61.05815	0.2
66.83172	0.2
67.19347	0.2
71.01258	5.6
71.26022	0.6
73.02837	1.0
83.01268	0.4
85.02816	1.5
87.00768	0.3
89.02321	4.8
91.67510	0.2
95.01291	0.3
99.00770	0.3
101.02328	4.3
101.71272	0.2
105.84781	0.3
111.48709	0.2
113.02321	2.5
119.03382	2.9
139.07591	0.3
141.09065	0.3
143.03448	0.5
155.10677	1.4
161.04462	3.8
179.05600	1.0
209.15564	0.3
221.84483	0.3
227.16498	1.5
239.95592	0.3
325.61166	0.3
388.41840	0.3
389.21875	5.3
390.22226	0.7
449.24167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81128	0.3
59.01254	100.0
60.01598	1.3
71.01261	5.5
71.48702	0.7
72.99184	0.4
73.02815	0.4
83.01274	0.4
85.02847	1.3
89.02330	8.2
89.02846	0.7
99.00746	0.6
101.02323	3.9
113.02325	2.8
119.03411	4.6
125.02377	1.0
131.03467	0.5
143.03450	0.8
148.48030	0.3
149.04584	0.7
161.04477	2.3
172.05315	0.4
178.99863	0.5
179.05516	1.7
187.07642	1.1
191.05600	0.8
215.07127	0.4
259.06143	1.8
275.09311	2.3
287.05835	0.7
343.90994	0.4
389.21820	4.4
390.22278	0.7
444.76553	0.4
449.14676	0.5
449.24231	0.8
462.76245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	0.6
59.01252	4.5
63.74412	0.6
64.61016	0.5
69.03345	0.7
69.34175	3.9
71.01247	1.8
85.02822	9.6
87.00749	3.9
88.40244	0.6
89.02277	0.9
93.03347	7.9
98.20535	1.2
102.77271	0.5
105.03330	0.5
109.02828	1.3
111.04408	2.4
127.03889	2.1
134.03680	0.9
137.02338	0.7
155.10670	1.0
159.04414	1.4
172.05214	2.1
173.04485	7.7
173.05896	1.2
175.07474	0.8
183.04422	0.7
187.04044	1.0
187.07576	19.2
188.07962	1.5
191.05548	100.0
192.05855	3.5
199.03879	1.0
200.04778	0.9
201.05460	2.5
202.06274	6.4
203.10622	1.5
213.09155	4.9
215.07066	4.9
216.07735	1.1
227.03477	1.1
229.08705	2.0
231.06627	1.4
231.10222	11.8
257.08209	9.7
258.08578	1.0
272.41519	0.7
275.09286	14.6
276.09647	0.9
363.21573	0.7
437.30685	0.7
449.14450	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	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70840	0.2
57.03312	0.3
59.01254	4.8
60.39479	0.2
61.98693	0.6
62.96272	0.3
67.01768	0.4
69.78871	1.4
71.01253	0.9
73.02804	0.3
78.95776	71.9
80.96191	0.5
83.04916	0.5
85.02824	0.4
87.00733	0.5
89.02332	0.4
93.03337	2.9
96.96838	6.8
96.97440	0.5
98.19846	0.3
101.02348	0.4
111.04372	0.7
113.02335	0.3
133.02826	1.1
134.03633	1.9
135.04384	0.4
137.02361	0.5
150.97879	1.6
151.09464	0.3
152.99492	100.0
153.99818	2.2
154.99905	1.2
161.02385	0.4
162.03064	0.3
162.48877	0.3
164.00832	0.3
171.00558	2.3
173.04460	4.9
177.01784	0.6
178.02632	0.3
191.05531	2.8
202.06142	0.3
216.12173	0.3
231.10196	1.2
275.09195	3.1
276.09689	0.3
277.21783	0.4
282.39334	0.3
287.02075	0.3
295.22702	0.7
389.21527	0.4
449.14627	1.1
449.23032	20.1
450.23380	2.6
460.05624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98697	0.3
62.96265	0.2
70.79240	0.4
71.32606	0.1
78.95773	49.2
93.03328	0.9
96.96836	6.1
116.92833	0.1
134.03612	0.2
135.04390	0.3
138.46707	0.1
150.97920	1.8
152.99484	100.0
153.99834	1.5
171.00552	4.3
173.04449	0.9
175.95114	0.1
179.28224	0.1
191.05548	0.5
195.13901	0.2
202.05890	0.1
275.09232	0.7
277.21796	0.2
294.37442	0.1
295.22794	0.7
449.23053	11.2
450.23419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
59.01252	10.2
60.01627	0.7
67.01765	1.6
69.03331	1.5
69.20025	6.3
71.01242	2.8
73.02825	0.9
78.50924	0.6
81.03335	1.2
83.04913	2.2
85.02823	14.4
87.00739	7.3
89.02288	0.7
93.03341	11.2
101.02326	1.6
109.02834	2.5
111.04411	4.2
113.02311	0.8
127.03903	3.1
129.01817	0.9
134.03630	0.9
135.04312	0.7
137.02315	1.1
146.03641	2.3
149.05994	2.5
155.03407	2.5
158.03670	1.6
159.04442	6.2
161.04590	0.8
162.13571	0.7
171.02885	0.7
171.40837	0.7
172.05211	7.8
173.02228	0.8
173.04465	15.0
173.06000	10.0
174.06752	1.1
175.02513	0.6
175.07581	2.6
182.03531	0.9
183.04445	1.4
184.05226	0.8
187.03987	5.2
187.07581	44.0
188.07893	3.4
191.05550	100.0
192.05890	3.7
194.42456	0.6
198.06805	1.4
199.04007	1.6
200.04781	3.6
201.05505	10.7
201.09190	0.8
202.06297	15.6
203.06755	1.0
203.10698	1.9
204.04214	1.2
211.07738	1.3
213.09152	12.3
214.09485	1.0
215.07098	14.0
216.07771	2.0
227.03421	1.5
228.04245	0.9
229.08609	7.0
230.09180	1.3
231.06752	7.1
231.10222	27.9
232.10587	2.0
257.08200	14.0
258.08591	1.2
265.48431	0.8
275.09253	52.6
276.09579	5.4
304.44305	0.7
389.21765	1.6
405.12042	0.7
415.97205	0.8
437.83698	0.7
449.14462	9.4
450.14795	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.00470	0.2
58.60319	0.2
59.01249	22.6
60.01585	0.9
61.01688	0.6
61.98701	100.0
71.01258	3.9
71.01625	0.3
71.08542	0.5
71.08855	0.2
72.01608	0.3
72.99158	0.3
73.01656	0.2
73.02816	0.5
77.15548	0.2
81.03338	0.3
83.04910	0.3
85.02818	1.1
87.00739	0.6
89.02312	4.5
90.02662	0.5
92.45866	0.2
93.03358	0.9
99.00796	0.4
101.02312	2.8
101.02927	0.3
102.02663	0.3
111.04408	0.6
113.02323	1.7
114.02632	0.3
119.03374	1.7
119.75674	0.2
120.03704	0.2
125.02325	1.5
127.03931	0.3
131.03419	0.3
135.04453	0.2
143.03491	0.3
146.03635	0.5
151.00308	0.2
155.03430	0.4
157.10208	0.2
158.03629	1.2
159.04453	2.0
161.04532	0.8
172.05234	0.5
173.04515	1.8
173.06035	1.3
174.06834	0.4
175.07565	0.4
179.05592	1.0
180.05927	0.3
187.03957	0.6
187.07550	6.0
189.09157	0.3
191.05544	4.3
197.05826	0.2
202.06279	2.1
203.10751	1.3
213.09221	0.8
215.07059	0.4
216.08040	0.4
231.10205	3.5
251.05611	0.2
257.08295	0.3
259.06155	1.2
267.16013	0.4
268.16403	0.5
269.04688	1.0
275.09250	14.1
287.05801	1.0
287.18707	0.3
388.20483	0.7
389.22012	1.0
449.15668	1.2
449.23871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01254	4.8
60.99185	2.3
67.01772	9.0
68.67244	0.9
69.03328	2.2
69.22714	4.6
69.23139	5.2
71.01256	5.5
81.03326	2.1
83.04884	2.6
85.02835	8.8
87.00756	8.4
89.03851	1.9
93.03341	57.0
94.03681	1.4
97.06470	1.1
98.19831	2.0
99.00784	1.1
99.04376	1.6
105.03361	2.8
107.04903	1.3
108.02079	1.3
109.02811	2.1
111.00735	1.2
111.04389	10.7
117.03349	3.4
121.02851	1.8
124.01537	2.1
125.02361	2.2
127.03911	2.7
129.01784	1.9
132.02077	2.8
133.02847	24.0
134.03632	43.4
135.04430	40.5
136.04710	1.8
137.02333	18.1
137.03325	1.4
139.03934	5.7
150.03091	3.8
151.03920	3.9
155.03426	6.3
160.01581	8.8
161.02332	1.2
162.03122	4.2
163.03920	1.1
173.04485	91.6
174.04851	2.8
177.01877	17.4
178.02643	31.3
179.03448	8.5
180.04202	1.7
187.07625	1.3
191.05556	100.0
192.05913	3.7
202.06227	1.3
207.08910	0.9
213.09177	1.6
215.05457	1.0
228.19104	1.0
231.10248	4.1
257.08133	8.0
275.09259	38.1
276.09641	3.3
307.08392	2.0
308.09067	10.3
351.07138	3.2
352.07965	12.2
353.08154	1.6
432.04910	1.0
449.14548	18.7
450.14679	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2384
Annotation	Ugaferin
Peak:m/z	Relative Intensity
59.01252	20.4
67.64337	1.0
71.01270	2.4
71.49605	1.1
71.50050	1.3
71.63335	0.9
78.95774	14.3
80.72953	0.9
85.02814	1.4
89.02328	1.9
89.75392	0.8
96.96843	1.7
101.02317	3.5
113.02325	2.0
117.03352	16.1
119.04915	47.5
120.05275	1.3
127.61106	1.1
133.02852	3.3
135.04456	4.5
145.02856	100.0
146.03192	5.1
152.99480	19.3
161.02371	14.2
161.04453	2.0
163.03918	42.0
164.04269	1.8
171.00519	1.0
179.03384	1.5
189.05533	1.0
191.05615	1.4
211.13310	2.3
221.19051	10.5
225.14941	1.5
255.03117	1.1
257.14697	1.0
265.18036	5.6
282.70959	0.9
283.19162	9.7
284.19397	1.6
285.20599	1.3
301.20209	19.6
302.20541	1.8
387.20361	1.3
429.22543	1.1
447.23889	59.8
448.24182	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74337	0.3
59.01240	1.4
62.09129	0.3
78.95771	4.4
83.18604	0.3
84.95644	0.3
110.98417	3.3
124.23654	0.3
130.32338	0.3
131.73708	0.3
131.74678	0.4
167.01122	1.4
185.02109	4.0
196.50551	0.3
227.65627	0.4
279.23282	100.0
280.23636	10.6
346.23975	0.3
392.97406	0.3
447.25153	4.8
448.25494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
57.03327	1.5
58.00454	2.2
59.01248	100.0
60.01592	0.9
61.98697	5.4
69.03325	0.8
71.01253	30.2
72.99187	1.3
73.02819	4.3
83.01257	1.8
85.02828	9.4
87.00753	3.3
89.02315	32.1
91.96453	0.8
93.03353	1.1
95.01292	1.8
97.02853	0.6
98.19771	1.4
99.00766	1.0
101.02322	18.4
111.04399	0.8
113.02332	14.0
118.74202	0.6
119.03391	13.6
120.99575	1.0
122.99096	1.1
127.03854	1.0
131.03423	1.8
135.04446	0.7
143.03400	3.0
148.03914	0.8
149.04480	2.2
153.09230	1.4
155.03448	0.6
159.03043	0.7
159.04460	1.2
161.02390	0.8
161.04480	13.6
162.05510	1.9
163.11238	1.7
173.04541	2.0
176.78873	0.6
179.05553	10.2
185.06046	1.8
187.04002	1.5
189.12819	2.3
191.05528	20.5
192.05904	1.4
200.04758	1.3
201.09175	1.8
207.13913	6.1
216.07870	1.5
225.14929	1.3
227.03590	1.5
227.07207	1.0
229.08633	6.0
231.10275	3.2
243.12387	1.0
255.02928	2.9
255.06650	2.8
257.09485	0.7
267.16101	0.8
271.10718	0.8
273.07620	3.0
274.08163	0.7
284.03241	6.7
285.04010	5.8
285.12540	1.0
315.18262	2.0
329.11508	3.7
343.17511	1.1
369.19025	1.0
387.20334	8.6
411.16602	10.5
412.16928	2.0
447.08453	3.5
447.21985	6.5
448.10117	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
58.00486	0.4
59.01250	100.0
60.01589	1.2
67.92789	0.3
69.17458	3.8
71.01254	10.5
71.04939	0.4
73.02815	2.9
83.01289	0.7
85.02812	4.5
87.00757	0.7
89.02307	5.7
93.03374	0.7
95.01273	0.4
97.02815	0.7
99.00787	1.2
101.02322	7.1
109.06463	0.4
111.04431	0.5
113.02333	4.9
119.03411	2.0
131.03482	0.5
138.06772	3.2
139.07571	0.8
143.03392	1.0
149.04460	1.8
153.01834	3.6
153.09113	10.3
153.10309	0.6
159.02917	0.9
161.04471	11.1
162.04716	0.4
168.04211	3.8
173.04541	0.4
179.03485	0.4
179.05568	1.4
183.06572	5.0
191.05536	6.7
207.13908	1.3
225.14915	22.1
226.15323	1.2
226.91577	0.4
229.08607	0.5
258.58755	0.4
269.35733	0.5
315.11050	0.7
384.31711	0.4
387.20248	11.0
387.24969	0.7
388.20731	0.7
411.63861	0.4
431.19238	0.4
447.14819	0.4
447.22574	1.2
448.22382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03909	0.3
55.59317	0.3
58.00463	0.5
59.01250	100.0
60.01591	1.3
61.98696	0.5
70.78526	0.3
70.78841	0.5
71.01252	8.7
72.99173	0.6
73.02824	0.4
80.44888	0.2
85.02833	1.0
87.00765	0.8
89.02318	13.7
93.07683	0.3
95.01272	0.5
99.04461	0.3
101.02321	3.8
109.63935	0.3
113.02326	3.3
118.91637	0.3
119.03392	6.1
131.03415	0.6
143.03436	1.1
149.04491	0.8
161.04485	1.5
168.04253	0.4
179.05540	4.4
199.42175	0.3
201.91275	0.3
218.31786	0.3
225.14967	0.5
387.20474	0.5
401.14517	0.3
447.22501	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	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01756	2.3
57.03328	1.8
58.00469	3.6
59.01251	96.2
60.01586	0.7
61.98690	1.3
69.03329	1.1
69.29521	2.0
69.29953	2.2
71.01253	77.7
72.01598	1.5
72.99182	4.3
73.02820	24.3
75.00732	0.7
76.80926	0.5
81.03337	0.6
83.01264	4.9
85.02821	14.0
87.00752	3.2
89.02318	100.0
89.16401	0.5
90.02670	1.9
93.03334	1.8
95.01270	2.3
95.04921	0.5
97.02845	1.9
97.06527	0.6
99.00759	30.9
99.04380	0.8
100.01100	0.6
101.02322	46.6
102.02669	1.3
111.04396	0.6
113.02334	23.5
114.02690	0.7
115.03886	0.7
119.03388	18.3
125.02329	4.2
131.03397	17.7
133.02855	0.6
134.03644	0.6
135.04445	1.2
143.03406	4.7
149.04462	46.3
150.04831	1.1
155.03416	0.9
161.04456	9.3
165.01813	0.8
171.09184	1.1
173.04456	3.4
178.02670	0.6
179.05534	6.3
191.05539	23.5
192.05887	1.0
199.03914	0.6
199.13324	1.0
211.13348	0.9
221.06604	1.8
225.14886	1.0
229.08583	1.0
233.06604	2.5
251.07687	2.6
255.06628	0.6
271.02438	4.5
273.07623	1.6
285.12491	0.8
293.08749	0.9
299.01993	6.7
300.02240	1.0
314.04330	5.7
315.04916	2.6
315.18173	3.1
387.20056	0.9
405.21304	1.6
447.09018	4.0
447.22296	37.8
448.09167	0.5
448.22729	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03321	1.9
58.00474	0.8
59.01250	100.0
60.01592	1.0
61.98703	0.4
68.08691	0.3
71.01253	19.2
71.04911	0.7
72.99191	0.9
73.02814	5.1
75.00743	0.4
83.01271	1.6
85.02825	6.5
87.00738	0.8
89.01768	0.6
89.02316	10.4
93.03331	0.6
95.01294	1.4
95.04924	0.4
97.02850	1.0
98.19774	0.8
99.00758	2.3
101.02322	10.4
109.06486	0.5
111.00712	0.3
111.04394	0.5
113.02332	7.8
119.03392	4.1
123.08032	0.4
125.02386	0.9
125.06090	0.3
131.03416	0.5
135.04376	0.8
137.09622	0.8
138.06763	6.4
143.03383	1.7
149.04483	1.4
151.11128	0.4
152.03522	0.4
153.09119	15.2
154.09453	0.9
159.02948	1.6
161.04466	16.7
162.04822	0.5
163.11261	0.4
167.10669	0.3
173.04552	0.3
177.72110	0.3
179.05519	2.8
181.07961	0.4
182.76965	0.4
185.06013	0.4
187.07602	0.7
191.05560	2.5
195.13863	0.5
197.15436	0.5
202.06291	1.1
205.03485	0.4
207.13852	2.2
211.07669	0.9
225.14912	38.4
226.15263	3.4
229.08652	1.6
230.09032	0.5
231.10054	0.7
255.06799	0.7
267.15887	0.3
273.07852	0.5
285.16876	0.4
387.20251	18.4
388.20535	2.4
393.80835	0.4
411.16650	4.3
412.16800	0.5
431.19177	1.2
447.15060	1.3
447.22437	1.7
448.15265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
61.98690	0.1
62.96271	0.3
70.87748	0.2
71.01258	0.2
71.37171	0.2
78.95774	53.3
96.96843	5.7
150.97928	2.0
151.17741	0.1
152.99489	100.0
153.99835	1.7
171.00560	4.4
185.34183	0.2
187.12895	0.2
202.87038	0.1
211.13322	0.2
293.21259	0.4
295.30142	0.2
378.14395	0.3
414.98245	0.2
447.14090	0.3
447.21524	10.5
448.21878	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	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07174	0.2
59.01254	3.8
61.98704	0.5
62.96271	0.3
71.01249	0.7
78.95780	53.9
89.02312	0.4
96.96849	6.6
101.02332	0.6
128.11142	0.2
150.97922	1.8
152.99507	100.0
153.99861	1.9
161.04491	0.3
170.99220	0.3
171.00581	4.3
185.83122	0.2
211.13383	0.3
225.07672	0.4
225.14999	0.5
284.03171	0.2
293.21268	0.6
311.22354	0.6
387.19916	0.4
388.20569	0.2
388.55051	0.2
390.81912	0.2
447.21542	9.6
448.21799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03328	1.8
58.00469	3.6
59.01251	96.2
60.01586	0.7
61.98690	1.3
69.03329	1.1
69.29521	2.0
69.29953	2.2
71.01253	77.7
72.01598	1.5
72.99182	4.3
73.02820	24.3
75.00732	0.7
76.80926	0.5
81.03337	0.6
83.01264	4.9
85.02821	14.0
87.00752	3.2
89.02318	100.0
89.16401	0.5
90.02670	1.9
93.03334	1.8
95.01270	2.3
95.04921	0.5
97.02845	1.9
97.06527	0.6
99.00759	30.9
99.04380	0.8
100.01100	0.6
101.02322	46.6
102.02669	1.3
111.04396	0.6
113.02334	23.5
114.02690	0.7
115.03886	0.7
119.03388	18.3
125.02329	4.2
131.03397	17.7
133.02855	0.6
134.03644	0.6
135.04445	1.2
143.03406	4.7
149.04462	46.3
150.04831	1.1
155.03416	0.9
161.04456	9.3
165.01813	0.8
171.09184	1.1
173.04456	3.4
178.02670	0.6
179.05534	6.3
191.05539	23.5
192.05887	1.0
199.03914	0.6
199.13324	1.0
211.13348	0.9
221.06604	1.8
225.14886	1.0
229.08583	1.0
233.06604	2.5
251.07687	2.6
255.06628	0.6
271.02438	4.5
273.07623	1.6
285.12491	0.8
293.08749	0.9
299.01993	6.7
300.02240	1.0
314.04330	5.7
315.04916	2.6
315.18173	3.1
387.20056	0.9
405.21304	1.6
447.09018	4.0
447.22296	37.8
448.09167	0.5
448.22729	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70798	0.2
57.03316	0.4
59.01249	100.0
60.01579	1.0
70.87992	0.5
71.01253	4.1
73.02832	1.0
75.57957	0.2
77.75617	0.2
78.21851	0.2
83.01246	0.4
85.02818	1.6
87.00777	0.3
89.02315	3.2
95.01285	0.3
99.00762	0.2
101.02332	2.7
110.86116	0.3
113.02341	2.1
116.35516	0.2
119.03383	1.2
119.04949	0.3
125.02323	0.3
137.99464	0.3
138.06760	0.4
139.07530	0.3
143.03377	0.4
149.04507	0.6
153.01837	7.6
153.09094	1.5
153.33633	0.2
154.02257	0.2
159.02895	0.2
161.04457	2.7
163.03914	0.6
163.11183	0.2
168.04189	9.6
178.76701	0.2
179.05545	0.7
183.06548	9.7
184.06949	0.4
189.12956	0.4
191.05548	2.4
211.09674	0.2
225.14896	2.7
229.08665	0.5
273.07831	0.3
387.20218	3.0
447.22501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93030	0.2
52.17591	0.2
59.01248	3.9
61.98713	0.3
62.96263	0.4
71.01237	0.4
71.29873	0.5
78.95775	56.7
85.02832	0.4
89.02327	0.3
96.27992	0.2
96.95923	0.3
96.96845	6.7
101.02332	0.4
108.10091	0.2
113.09574	0.5
119.03419	0.2
120.70227	0.2
121.43700	0.2
139.73349	0.2
150.97931	1.8
152.99489	100.0
153.99817	2.0
161.04451	0.3
171.00577	4.9
191.05659	0.3
245.83907	0.2
293.21243	0.8
339.30624	0.2
347.01053	0.2
375.20300	0.2
396.14096	0.2
431.93179	0.3
447.21521	7.9
448.21884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16925	0.5
58.00217	0.5
59.01246	9.7
65.03880	0.5
69.90240	2.6
73.02803	0.7
73.50272	0.5
79.12911	0.5
85.02827	1.4
89.02303	2.6
93.03327	1.2
101.02310	1.4
107.01260	1.3
113.02332	0.6
119.03355	0.8
125.02301	0.9
135.00778	0.5
139.11195	0.5
151.00330	2.4
153.01884	0.6
161.04471	0.7
163.00388	0.6
167.04912	0.6
169.06506	0.6
173.04466	1.4
178.99818	0.9
179.05516	0.5
183.04387	1.3
183.10129	2.3
185.02368	0.6
185.05994	0.9
191.05528	8.3
191.22563	0.5
200.04749	1.0
201.09238	0.8
211.03961	1.6
211.07510	1.2
213.05490	1.1
227.03442	70.4
228.03723	5.1
229.05080	2.6
229.08643	2.9
230.95563	0.5
239.03389	0.9
255.02968	100.0
256.03558	15.9
257.04285	1.8
273.07803	1.0
284.03253	95.4
285.03964	33.0
285.06647	0.5
286.04355	1.9
307.21854	0.5
315.14383	0.5
315.18179	0.7
327.05014	1.3
447.09277	95.5
448.09576	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	447.1296
Annotation	Siebolside A
Peak:m/z	Relative Intensity
59.01244	3.8
65.00187	0.7
69.29474	0.6
69.29890	2.3
71.01278	0.6
80.02544	0.5
91.01770	16.3
92.02110	0.6
93.03323	0.7
95.01257	1.0
97.06492	0.3
99.91678	0.3
101.02316	0.4
107.04922	0.6
108.02058	21.2
109.02869	4.6
110.07162	0.3
121.02827	1.0
123.00787	6.2
124.01621	0.7
135.00789	14.4
136.01097	0.6
137.02367	3.2
149.02289	0.5
151.00304	0.6
152.01073	18.1
153.01396	0.5
161.04459	0.3
173.04460	0.5
191.05515	1.4
197.06020	1.6
199.07414	0.5
213.05533	1.3
215.07074	1.1
229.08545	0.4
243.06601	100.0
244.06940	7.9
255.02887	0.5
300.02661	1.0
336.93698	0.3
387.10800	0.9
405.12393	0.4
416.64856	0.4
447.13080	3.3
448.13214	0.7
472.59042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.6
61.98683	0.7
62.96261	1.5
69.33177	3.9
71.01254	1.5
78.95779	41.3
79.10891	0.4
89.02303	1.1
91.12112	0.5
96.96833	2.7
99.55878	0.4
101.02328	1.3
104.08730	0.5
108.53825	0.3
109.21929	0.4
113.02290	0.8
127.04536	0.4
149.00009	18.2
150.00354	0.4
152.99490	3.6
158.92455	1.4
161.04440	0.7
179.01086	2.8
183.36678	0.4
205.15970	1.8
211.13412	0.6
225.14995	1.0
240.96667	0.4
242.44162	0.4
284.03165	0.5
285.03958	0.5
285.46777	0.5
333.06989	0.5
347.08228	0.7
355.19061	0.5
371.30560	0.5
387.20422	0.9
417.12482	1.1
431.10342	2.6
447.13461	100.0
448.13806	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98695	5.7
67.04768	2.9
69.31201	10.3
69.31617	16.6
71.01276	3.4
76.40762	2.7
78.95782	8.2
83.01299	2.7
89.02334	6.0
91.03907	3.0
97.99651	2.9
101.02316	3.5
121.02834	4.7
152.99495	9.9
196.51675	3.0
209.11720	3.5
293.21268	34.8
294.21622	4.2
304.55496	3.1
307.18658	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	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.8
59.01253	100.0
59.95332	1.8
60.01564	2.0
61.98701	2.5
63.29240	1.6
70.24374	5.7
71.01233	4.0
78.95774	2.5
89.02344	3.2
97.26929	1.6
113.02325	1.7
113.09633	5.1
121.02780	2.6
152.99533	3.2
209.11768	4.0
240.04338	1.7
240.25410	1.9
251.42928	1.6
253.09700	1.6
293.21219	49.1
294.21512	5.5
308.03168	1.9
371.84073	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51071	0.6
59.01250	9.2
61.94119	0.5
65.00204	0.8
69.14610	3.3
69.15034	2.5
73.02819	1.3
85.02815	1.1
87.00771	0.6
89.02310	1.4
94.96322	0.5
98.19767	1.3
101.02338	2.9
107.01270	1.2
107.23045	0.5
113.02309	1.0
135.00758	0.7
140.75560	0.5
151.00266	1.7
153.21710	0.5
161.04419	1.3
161.19847	0.5
163.00249	0.8
163.78990	0.5
164.01035	0.8
178.99696	0.6
183.04442	1.1
191.05501	2.4
196.03687	0.8
208.39264	0.6
211.03958	1.4
213.05388	0.6
227.03448	69.0
228.03825	4.6
229.05020	2.2
229.08682	0.7
239.03400	0.6
255.02960	86.3
256.03491	10.6
257.04425	0.7
284.03250	65.5
285.03967	22.3
285.09723	1.2
286.04395	2.0
315.14404	0.7
315.17999	1.0
327.05121	1.3
359.14362	0.6
387.20090	1.8
447.09311	100.0
448.09555	12.5
459.90399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74919	0.5
59.01252	100.0
60.01593	1.7
61.98705	2.3
62.88734	0.6
63.63958	0.6
64.84733	0.6
78.95761	4.3
89.02332	0.7
89.63001	0.6
89.74750	0.5
115.85594	0.6
121.02798	0.9
131.08333	0.7
135.04478	0.7
149.00006	6.6
205.15912	4.4
209.11844	1.3
287.59171	0.7
355.16794	21.7
356.17429	2.2
368.66830	0.7
368.72134	0.6
385.17850	10.7
386.18295	1.7
445.20337	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	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
66.23626	0.2
66.71597	0.2
70.41917	0.3
70.69868	0.5
70.70203	0.5
71.01231	0.5
74.28850	0.3
76.17434	0.3
78.95774	6.2
88.72817	0.3
110.98420	4.1
114.23479	0.3
152.99533	0.4
167.01073	1.7
185.02132	4.7
190.00716	0.3
259.20462	0.4
277.21707	100.0
278.22037	11.0
445.23611	5.3
446.23639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96886	0.3
56.91827	0.3
59.01257	1.7
64.02701	0.3
71.91935	0.3
73.64860	0.3
78.95776	5.2
82.03841	0.3
110.98414	4.6
167.01060	1.8
180.97881	0.3
185.02136	4.0
265.52637	0.3
275.20334	0.6
277.21719	100.0
278.22061	9.5
284.57614	0.3
445.23663	5.1
446.24033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01575	1.2
67.98896	0.5
71.01252	0.6
71.05025	1.2
71.05388	0.7
78.95776	3.4
84.53107	0.5
91.01771	0.7
91.03896	2.6
96.96840	0.7
97.26106	0.5
101.02309	0.7
134.95540	0.6
135.00789	1.3
149.04390	0.9
152.99500	6.1
197.11876	1.0
211.13388	1.6
293.21228	1.7
311.22266	12.6
312.22543	1.2
358.69788	0.6
445.19769	0.9
445.29553	0.9
446.30054	0.6
451.26685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01567	1.2
60.19329	0.4
61.98701	1.4
66.20316	0.4
69.45889	1.6
69.46322	2.3
71.01268	1.0
78.95800	0.6
83.04914	0.7
89.02315	1.4
91.03883	3.8
96.95861	0.9
98.19825	1.1
110.11770	0.5
121.02872	0.8
138.80852	0.5
152.99515	1.0
157.10345	0.5
181.12331	0.9
197.11763	1.2
209.11795	2.1
211.13374	2.1
234.96808	0.5
293.21210	1.4
311.22244	22.0
312.22623	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	445.1865
Annotation	Maoesin D
Peak:m/z	Relative Intensity
57.03325	0.6
58.97006	0.3
59.01250	100.0
60.01598	1.2
61.98697	1.9
69.49982	2.1
71.01252	1.6
73.02815	0.4
78.95775	23.5
83.01269	0.5
85.02821	1.1
87.00788	0.5
89.02334	0.5
93.03348	0.9
95.01283	0.4
96.96836	3.1
98.19812	0.6
101.02339	0.6
108.02109	0.4
109.02850	0.7
113.02344	1.3
121.02841	6.4
122.03613	0.9
123.04442	0.9
125.09619	0.9
127.11190	0.3
131.03354	0.3
135.04428	0.8
137.02393	0.3
143.81836	0.3
146.03615	0.8
147.04413	0.9
149.04456	0.4
150.97932	0.7
152.99489	45.4
153.99854	0.8
154.02611	0.4
159.04456	0.9
161.06001	0.8
171.00565	2.7
172.05219	2.3
173.05998	8.8
174.06760	1.9
175.07503	0.5
185.06035	0.7
185.11763	1.1
187.07681	0.4
191.07100	0.7
198.06761	0.4
199.07538	2.4
200.08150	0.6
209.11777	1.4
227.12831	0.8
229.05014	1.1
234.08855	0.5
243.06573	2.4
243.13840	1.4
244.07385	0.7
249.11307	1.1
251.14357	1.0
269.15427	2.1
270.09061	0.4
270.15695	0.3
301.27560	0.7
310.11984	0.7
313.14413	6.9
314.14743	0.6
325.14380	1.3
328.13156	2.0
329.13513	0.4
343.15521	3.4
344.15875	0.5
361.16553	0.6
370.14200	0.7
385.16507	8.0
386.17084	0.7
403.17734	2.3
430.16568	1.7
445.18762	19.4
445.31879	1.3
446.19052	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.01248	12.3
61.98704	2.3
69.03348	0.9
71.01252	3.7
72.99183	0.6
74.65259	0.6
78.95772	19.3
83.01271	0.8
83.04902	0.6
85.02818	0.8
87.04405	1.0
89.02328	1.9
89.64211	0.6
93.03321	0.7
96.18229	0.6
96.96856	2.5
97.02803	0.6
98.19829	1.9
99.00742	1.2
101.02333	2.3
113.02313	1.2
121.02856	0.9
122.03641	0.6
125.09639	3.2
131.03401	2.0
133.02824	0.8
146.03665	0.7
147.04399	1.1
149.04445	2.0
152.21233	0.6
152.99490	36.3
159.04414	3.1
161.04422	0.7
165.12735	0.7
171.00555	1.3
172.05212	26.1
173.05991	100.0
174.06337	5.9
175.03925	0.8
179.05486	0.7
181.06522	0.9
183.08063	1.2
185.06018	11.1
185.11755	2.9
186.06488	1.0
187.07526	1.6
188.04735	1.9
197.13220	1.0
198.06743	2.8
199.07570	36.2
200.08145	5.0
201.09076	1.8
202.09981	0.6
204.93254	0.6
209.11749	4.6
211.07628	0.7
213.09088	0.9
220.03674	0.6
225.09294	1.2
227.10884	0.9
227.12608	3.2
229.04996	15.5
230.05516	1.2
241.12305	1.5
241.16005	0.8
243.04094	1.1
243.06595	22.9
243.13857	21.2
244.07321	11.0
244.14328	1.5
245.07892	0.7
251.14386	9.3
253.12364	2.2
253.41605	0.7
267.13657	1.2
269.15469	31.7
270.15854	3.4
313.14447	78.6
314.14713	8.6
316.54382	0.7
445.20206	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	445.1525
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
53.79222	0.6
57.03331	4.4
58.00462	1.0
59.01251	61.2
69.03312	1.5
69.47665	1.9
69.48078	3.2
71.01254	20.2
72.99169	1.5
73.02812	4.3
77.84203	0.7
81.03341	0.9
81.52070	0.7
83.01250	2.8
83.04903	6.6
85.02813	3.2
87.00750	7.2
89.02321	23.1
95.01257	1.1
98.19812	1.5
101.02326	19.0
109.06461	1.8
111.08041	46.6
112.08351	3.2
113.02357	7.5
113.04031	1.4
115.01983	1.7
119.03395	16.8
120.99529	5.7
122.99108	2.2
125.02298	1.1
126.18865	0.7
129.09088	1.9
131.03340	1.6
143.03401	2.1
147.97232	0.7
149.04509	1.2
152.03447	2.1
153.09105	1.4
156.03333	0.9
157.03040	12.5
161.04483	7.1
169.06720	0.9
173.08113	15.6
174.08476	1.4
179.05505	8.2
187.09734	0.9
197.08047	3.1
199.03987	1.0
213.05719	2.0
216.65179	0.6
221.06622	1.3
223.13306	2.2
223.15405	0.7
225.11218	0.7
227.07172	2.1
229.05212	1.2
237.14983	0.9
245.64017	0.7
263.56384	0.7
271.06247	4.6
283.11847	2.6
313.10843	3.8
314.11145	0.8
333.74594	0.8
355.12064	0.9
389.89575	0.9
402.57718	0.8
445.15237	100.0
446.15582	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	444.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91870	0.5
53.23203	0.5
55.01743	1.8
57.03308	0.8
59.01254	11.7
61.98690	3.1
69.03327	0.8
71.01255	6.2
71.04894	2.8
71.50637	0.7
73.02827	3.7
78.25724	0.6
83.01237	0.6
83.04893	1.1
85.02820	2.5
85.06463	6.4
87.00762	1.0
89.02325	5.1
93.03346	0.6
97.05884	0.5
97.06476	1.5
99.00758	39.3
99.08051	0.8
101.02298	3.0
108.08090	1.0
109.06454	2.8
111.04409	9.4
111.08044	2.2
113.02335	2.1
114.09129	12.0
115.07533	100.0
116.07875	3.3
119.03378	0.9
120.99547	1.2
121.79816	0.5
122.09631	2.0
127.07553	5.8
127.11189	2.1
128.10718	1.7
129.05461	12.2
130.05803	0.6
131.03397	2.1
133.02783	0.6
133.06496	3.4
135.04372	0.6
138.09163	1.0
140.10719	2.3
143.03351	0.5
149.02414	0.7
149.04469	6.4
151.03918	1.1
152.10722	2.0
153.05469	0.8
153.09123	1.0
155.07146	0.5
156.10208	22.7
157.10497	1.4
158.08125	2.2
158.11777	29.3
159.12120	1.5
161.02341	0.8
161.04491	1.2
165.12807	0.7
166.08621	0.8
171.06543	12.0
171.10170	7.1
172.06815	0.5
173.04530	1.2
179.03444	0.8
179.07027	1.1
183.13898	0.7
189.10138	0.6
191.03847	0.7
191.05482	3.3
191.10683	0.9
196.09715	13.3
197.08087	0.7
197.09967	0.7
202.06175	0.8
206.15369	0.9
209.11765	5.8
212.16560	0.7
214.10789	17.3
215.11127	1.2
227.12889	2.1
250.18105	1.7
253.09177	1.0
312.18173	38.9
313.18787	2.7
349.14108	0.5
444.22531	2.9
445.20874	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76775	0.3
59.01252	100.0
60.01586	1.0
61.98693	0.3
71.41649	0.5
75.00759	0.3
87.71471	0.3
109.06496	0.4
119.44654	0.3
134.50269	0.3
134.59190	0.3
207.10208	0.6
209.11923	0.8
225.11211	0.4
280.07825	0.3
291.19595	1.9
309.20728	3.5
332.47943	0.3
450.41016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66962	0.7
59.01249	100.0
111.07996	1.1
138.76717	0.9
189.71458	0.8
250.19849	0.9
263.24423	0.8
275.20261	1.4
291.19662	10.9
309.20706	3.2
466.21198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95573	0.5
59.01249	100.0
60.01581	1.6
61.98697	5.9
62.06987	0.5
67.21166	0.4
70.62457	1.0
70.62783	0.6
71.01262	0.7
71.91480	0.6
81.96400	0.5
89.02337	0.6
101.02327	0.6
122.19821	0.5
157.93196	0.5
184.74924	0.5
207.10365	0.7
209.11800	1.2
264.67154	0.5
267.15079	0.5
271.02625	2.2
291.19690	2.5
299.01971	3.9
309.20657	4.4
314.04376	4.5
341.10712	0.6
443.13510	0.7
443.19556	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01582	1.4
61.98709	1.9
63.27818	0.9
71.36617	1.2
109.73935	0.9
118.03027	1.2
130.53311	1.2
136.01517	1.5
141.10962	1.2
159.03123	1.1
199.04044	2.8
209.11737	2.2
227.03397	2.9
243.02948	1.7
267.88589	1.1
270.46643	1.3
271.02466	40.0
272.02887	3.0
286.04861	1.5
291.19797	3.1
291.54007	1.2
299.01956	60.0
300.02280	4.4
309.20853	5.2
314.04312	81.3
315.04736	8.5
443.13574	9.6
443.19177	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	444.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14304	0.7
55.01764	1.3
57.51490	0.6
58.73755	0.5
59.01252	15.4
61.98711	0.7
69.03325	1.4
71.01254	4.8
71.04891	4.5
71.50716	0.5
71.51089	0.6
72.00778	0.9
73.02810	4.0
74.98970	1.1
81.03350	0.5
83.01255	0.7
83.04890	0.6
85.02837	2.3
85.06465	9.6
87.00725	0.8
89.02324	3.6
93.03301	0.6
97.06470	2.1
99.00758	24.6
99.08038	1.7
100.01095	0.9
101.02321	3.3
109.02802	0.9
109.06488	4.0
111.04405	31.7
111.08031	0.9
112.04738	0.6
113.02332	1.7
114.09128	7.0
115.07534	20.7
115.08341	1.3
116.07847	0.9
119.03327	0.6
120.99551	3.9
122.09648	1.3
126.09142	0.8
127.07544	29.2
127.11140	0.8
128.07916	1.0
128.10710	5.7
129.05479	9.9
131.03407	1.9
135.04430	0.9
138.09140	2.7
140.10710	2.7
147.04347	0.7
149.04465	8.9
152.10738	2.0
153.05515	1.6
153.09207	0.7
153.12718	0.9
156.10213	62.3
157.10562	3.0
158.11774	100.0
159.12135	3.9
161.04558	0.7
171.06529	10.6
171.10168	0.6
181.12285	0.9
182.12656	1.1
182.15436	1.5
191.05571	3.0
196.09738	4.7
212.16481	3.9
214.10770	7.1
225.11264	1.0
250.18091	2.6
255.02907	0.9
283.56305	0.6
290.46097	0.6
301.03528	3.0
301.06564	0.6
303.64313	0.6
312.18161	87.5
313.18628	8.5
444.22818	4.0
445.20917	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01581	1.1
61.70522	0.4
61.98696	0.3
62.08532	0.3
71.50212	0.6
72.56506	0.3
89.02326	0.4
91.03902	1.1
94.48076	0.3
109.06463	0.5
111.08069	1.2
138.87157	0.3
158.02449	0.3
165.08763	0.3
172.74203	0.3
197.11758	2.6
207.10249	0.7
209.11803	0.4
227.12935	0.4
262.18124	0.3
291.19629	2.4
309.20697	5.8
310.21182	1.0
324.02908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46412	0.6
59.01254	100.0
60.01612	0.8
61.98711	1.0
63.89498	0.5
69.79068	2.3
71.01269	1.0
85.02853	0.5
89.02335	1.7
91.03897	3.9
97.02821	0.7
109.06466	0.7
111.08090	2.4
150.72932	0.6
165.01921	2.6
178.99760	0.7
180.22052	0.7
193.01443	1.9
195.02986	0.6
197.11780	6.6
199.13358	0.8
207.10269	1.2
211.13336	0.8
271.02655	1.7
291.19662	4.9
299.01944	1.7
309.20767	10.9
310.21265	1.4
314.04318	3.0
324.47601	0.6
341.10812	0.8
355.11749	0.6
414.10202	0.9
444.14505	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.2
59.01255	100.0
60.01570	1.8
60.41843	1.2
61.22950	1.4
61.98703	2.4
63.72072	1.1
70.63839	1.5
70.64172	2.9
70.69285	1.3
71.01250	1.7
89.02341	2.6
91.03873	3.7
98.20523	1.3
101.02310	1.9
109.06450	3.0
118.30836	1.2
136.60938	1.4
165.01895	1.7
197.11781	4.1
207.10207	4.2
221.04587	1.3
291.19696	7.2
309.20761	14.6
311.22217	3.3
341.10559	1.8
380.36484	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.90766	2.4
61.35679	2.2
61.98714	3.0
69.28863	3.7
69.29264	17.3
71.01252	2.8
76.06181	2.3
78.07812	2.3
92.29245	2.2
96.36707	2.3
102.77951	2.2
111.08038	2.5
133.51750	2.4
160.84386	2.1
173.29633	2.1
207.10182	3.4
221.95903	2.5
273.18430	3.3
275.20078	8.3
291.19708	34.1
292.19958	4.4
341.10663	3.1
413.19611	2.3
435.43188	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70560	0.6
55.01754	4.4
57.03308	2.8
58.00453	3.0
59.01251	72.2
60.01569	0.8
69.30637	5.7
71.01251	48.5
72.99176	3.5
73.02818	7.9
83.01247	8.3
85.02824	17.4
85.99964	0.9
87.00755	2.4
89.02316	25.9
93.75180	0.7
95.01250	4.6
97.02803	0.7
99.00752	3.5
101.02320	31.5
102.02692	0.7
111.00755	0.8
111.04386	0.8
113.02320	15.0
114.02634	0.8
119.03398	10.6
121.06460	1.2
123.08003	0.8
128.67744	0.7
131.03381	1.0
139.07581	1.0
159.68845	0.7
161.04524	1.6
171.11656	1.6
189.12778	3.3
219.13828	1.3
237.14877	1.2
253.01566	0.8
346.65158	0.7
443.19199	100.0
444.19498	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
57.03321	0.5
58.00456	0.6
59.01254	14.9
62.15775	0.2
70.87116	0.7
71.01256	11.0
72.99170	0.6
73.02815	1.4
78.52498	0.2
83.01270	1.2
85.02825	3.7
87.00757	0.6
89.01762	0.4
89.02320	9.1
95.01257	0.8
99.00771	0.8
101.02323	10.1
111.04381	0.7
113.02336	4.9
119.03398	5.3
119.70345	0.3
123.08028	0.3
131.03398	0.5
143.03403	0.4
149.04477	0.6
159.02835	0.4
161.04424	1.1
179.05484	0.5
189.12758	0.7
219.13901	0.5
237.14938	0.6
252.68437	0.3
285.29279	0.3
365.68610	0.3
406.00964	0.2
422.46405	0.3
443.19205	100.0
444.19565	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	443.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49398	3.8
56.10143	4.1
56.73587	3.7
57.03324	4.4
58.83321	3.5
59.00962	5.4
59.01252	100.0
61.98700	24.7
62.05416	3.9
71.01253	13.0
71.50880	5.7
73.02817	4.2
74.38020	3.7
88.03863	4.1
89.02338	8.3
97.02819	4.3
99.00749	11.7
101.02307	6.4
109.06442	5.3
116.65037	4.6
140.99199	4.0
187.07603	3.8
201.09059	4.8
207.10156	8.5
211.04045	5.1
215.64220	4.4
229.08420	6.5
255.10062	5.3
257.08063	4.1
267.13968	5.6
284.10519	7.0
286.08475	6.1
287.09326	4.5
301.10498	5.9
302.11530	10.0
311.12909	12.5
311.18637	6.9
315.18710	4.1
397.65549	4.5
443.13846	5.1
443.19659	8.5
447.41916	4.5
456.14224	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01753	1.5
57.03319	1.9
58.00457	1.8
59.01249	34.4
63.93431	0.6
64.12684	0.6
70.44889	0.5
71.01252	29.4
71.32863	1.3
72.99166	3.2
73.02825	5.9
77.14398	0.7
83.01258	4.4
83.04899	0.9
85.02818	10.4
87.00748	2.2
89.02317	21.5
95.01266	2.1
96.95889	3.3
99.00739	2.3
101.02319	25.0
102.02651	1.0
111.04386	1.0
113.02335	10.6
119.03397	8.9
123.08022	0.7
131.03322	0.8
143.03328	0.8
149.04401	1.4
161.04471	1.8
172.30540	0.6
179.03357	0.8
189.12753	2.2
195.67464	0.6
199.25542	0.6
219.13818	0.7
237.14819	1.0
249.96230	0.6
281.13940	0.7
341.10904	0.8
443.19174	100.0
444.19485	11.9
457.06488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
51.36598	0.7
55.01747	1.3
56.96526	0.9
57.03332	14.1
58.00467	2.1
59.01254	66.9
63.21012	0.9
65.57587	1.0
69.03320	1.2
71.01262	42.7
71.50180	1.8
72.99175	4.4
73.01090	0.9
73.02820	5.8
74.98969	3.0
83.01269	2.7
83.04942	1.4
84.02026	1.2
85.02831	11.0
87.00760	5.2
89.00545	2.5
89.02324	40.2
90.02701	1.4
93.03357	1.0
95.01279	2.6
95.04928	0.9
97.02846	1.8
97.06487	1.1
97.16899	1.1
98.98982	1.3
99.00773	2.7
99.04388	1.4
101.02326	27.0
103.00240	1.0
105.01825	11.4
108.02048	3.0
109.02840	11.4
109.06474	2.5
113.02337	15.7
113.05962	1.4
117.00031	1.8
118.97984	4.1
119.03401	18.2
120.99552	100.0
121.02847	1.4
121.99909	1.3
125.02397	1.2
131.03394	3.3
131.08469	1.1
134.03645	14.1
135.04417	3.4
136.01573	5.0
137.02348	4.2
137.06018	1.3
142.97997	5.2
143.03407	4.4
149.02388	0.9
149.04440	2.2
149.05997	2.8
149.07216	1.0
151.03926	4.3
153.01852	4.3
160.99057	2.8
161.04498	9.0
161.09578	1.0
163.03934	1.1
165.47340	0.9
179.00127	19.3
179.05548	16.3
179.10753	2.2
191.05547	2.4
195.03003	2.3
207.10249	3.3
231.10277	3.8
233.08286	1.1
249.11372	6.3
251.12875	6.0
263.12912	3.9
265.05685	2.2
281.14001	8.3
293.10388	3.6
311.11469	8.4
311.14752	1.7
316.96133	0.9
443.13681	17.3
443.19305	24.2
444.14316	1.8
444.19714	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03321	0.9
58.00454	1.1
59.01249	50.8
59.49828	0.6
60.03210	0.6
61.98706	1.5
69.03343	0.7
69.27234	2.7
69.27663	2.8
71.01252	20.4
72.99182	2.7
73.02822	6.9
74.98976	2.7
75.00751	0.8
77.38823	0.7
80.34911	0.7
83.01257	2.4
85.02819	7.0
87.00727	3.0
89.00562	1.0
89.02321	12.8
90.02631	0.7
93.03322	0.7
95.01268	1.0
97.06445	0.8
99.00756	2.1
101.02314	14.2
105.01815	2.3
107.04889	0.7
109.02802	1.7
113.02341	6.9
114.02685	0.6
118.97995	1.3
119.03395	5.1
120.99541	100.0
121.99883	1.8
123.04386	1.0
125.02323	1.5
131.03394	1.8
132.02055	4.7
134.03632	8.8
135.04379	2.3
135.07999	0.7
136.01532	0.8
136.99028	1.1
137.02281	1.5
143.03406	0.9
143.04483	0.8
147.04405	1.5
149.02394	0.7
149.04466	10.7
149.05768	1.3
150.03105	1.6
151.03889	2.0
157.01193	0.6
159.02911	0.8
159.04416	1.1
160.01570	22.8
161.02248	1.7
161.04453	5.4
163.07455	0.7
165.01846	7.2
166.02664	5.0
172.05209	1.2
174.03162	1.4
175.03928	28.2
175.07466	1.6
176.04681	7.1
177.09151	6.3
179.03047	1.0
179.05589	1.0
179.07011	3.5
179.10680	0.7
187.07579	6.2
188.07837	0.9
190.06367	0.8
191.05496	1.6
191.07147	1.2
191.10539	0.8
193.04996	8.5
195.05197	0.7
201.09187	0.9
202.06262	2.3
203.07066	2.9
203.10226	0.7
205.08650	9.0
215.07124	1.1
217.08682	1.0
219.10159	1.7
221.08125	0.9
221.11723	1.0
231.10245	3.3
237.14810	0.7
245.08073	2.5
249.11295	12.6
250.11687	1.1
262.08078	0.6
263.09232	4.2
267.12469	3.0
269.10300	12.6
270.10617	0.9
275.09106	1.1
281.13763	0.9
293.10287	3.3
300.02872	0.8
311.11325	5.0
331.10205	2.0
345.08170	1.2
346.09076	5.7
383.12433	0.7
399.16403	0.8
401.14474	6.7
405.07968	0.7
411.16483	1.9
425.14474	2.8
432.53641	0.7
443.15414	32.1
444.15637	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	443.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.01255	7.0
60.97393	0.6
70.12367	1.7
70.12721	0.8
71.01255	3.5
72.12901	0.4
72.99212	0.4
73.02831	1.7
73.98184	2.0
74.98974	54.1
75.99312	0.6
81.03342	0.5
82.77167	0.4
83.04904	0.5
85.02829	1.9
86.42654	0.4
89.02330	1.5
97.06519	0.6
99.00763	0.7
101.02322	1.4
111.00742	0.4
113.02340	1.0
120.99551	100.0
121.99893	0.9
135.04356	0.6
136.99051	42.0
147.86281	0.4
149.04532	1.0
156.10246	0.7
158.11768	1.2
161.04494	1.5
163.11133	0.7
181.12314	3.7
185.63702	0.6
191.05539	1.6
225.11281	3.2
291.86517	0.4
291.89578	0.6
311.15002	3.2
312.18225	1.3
443.19147	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	443.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02998	0.4
59.01251	6.1
69.73735	1.4
69.74149	0.7
71.01254	1.2
73.02801	0.5
74.98951	2.3
75.00786	0.3
89.02341	0.7
101.02313	0.6
102.98479	1.3
103.33376	0.5
105.01829	1.5
109.02827	1.5
114.58741	0.4
120.99538	100.0
121.99870	1.6
131.03392	0.4
134.03633	2.4
135.04404	0.6
136.01556	1.0
136.99045	1.5
137.02374	0.4
149.04787	0.6
149.05951	3.8
151.03896	0.7
153.01848	0.5
167.77840	0.3
173.04524	0.4
179.00127	0.7
179.10695	0.7
191.05573	0.5
231.10254	0.5
293.10501	0.7
311.11249	1.7
311.14755	0.4
332.81625	0.4
419.49454	0.4
443.14407	1.5
467.96173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01251	4.9
69.37748	2.3
71.01250	1.1
72.99197	0.4
73.02820	0.4
85.02802	0.6
89.02323	0.8
95.26950	0.3
101.02324	0.8
102.98471	1.2
103.74454	0.3
109.02822	0.4
111.76760	0.3
113.02354	0.4
120.99541	100.0
121.99877	0.8
125.02382	0.3
134.03656	2.3
135.04398	0.7
136.01569	1.1
137.02325	0.8
147.04442	0.3
149.04520	0.3
154.12729	0.3
187.07582	0.3
191.05608	0.6
231.10310	0.6
311.11276	0.9
337.28226	0.3
443.14105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42672	0.3
57.03326	0.6
59.00959	0.6
59.01255	10.9
61.98708	0.3
63.31727	0.3
69.27429	1.9
69.27852	0.9
71.01259	3.6
72.48966	0.3
72.99200	0.6
73.02813	1.5
74.98982	2.5
83.01263	1.0
85.02822	1.0
87.00736	0.6
89.02313	2.2
99.00784	0.8
101.02332	3.6
102.98492	0.7
109.02842	0.4
113.02319	1.6
115.53692	0.3
118.97957	0.4
119.03422	0.4
120.99551	100.0
121.99854	1.3
123.04451	0.4
125.02322	0.4
131.03412	0.3
132.02098	0.4
134.03654	1.4
135.04398	0.3
136.01581	0.5
137.02309	0.4
149.04459	2.3
160.01566	2.7
161.04514	1.4
175.03934	4.0
176.04703	1.0
177.09151	1.2
179.07062	0.5
187.07527	1.1
193.05060	1.0
202.06293	0.5
205.08655	2.2
206.09029	0.4
221.04587	0.5
231.10193	0.7
237.14951	0.3
249.11334	2.6
263.09195	0.5
267.12344	0.4
269.10281	2.4
270.07864	0.5
281.13785	0.3
293.10400	1.0
311.11426	1.7
344.37173	0.3
401.14450	1.4
411.16959	0.5
432.12515	0.3
443.14838	5.4
444.15125	0.3
458.02075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53910	0.7
55.01737	0.9
57.03315	1.2
57.25451	0.7
59.01250	25.3
70.09625	0.8
71.01253	7.8
71.37393	1.1
72.99179	2.1
73.02807	2.4
74.98970	2.8
78.95815	0.9
81.03323	1.2
83.01243	1.2
83.04906	0.9
84.07617	0.7
85.02823	2.7
87.00750	1.3
89.02331	5.3
93.03327	1.5
99.00788	1.3
101.02325	5.1
102.98493	0.9
105.01821	20.1
107.04902	0.8
109.02828	6.9
111.00733	0.8
111.77304	0.7
113.02316	2.1
119.03344	0.7
120.99541	100.0
121.99915	1.5
131.03416	1.3
134.03635	12.4
135.04454	4.6
136.01563	4.7
136.99037	1.1
137.02318	2.8
149.04462	2.9
149.05974	4.2
151.03944	3.9
161.04436	1.9
173.04518	1.6
178.02670	0.9
179.00134	2.1
179.03549	1.0
179.10707	5.6
187.07515	1.0
191.05519	3.2
195.03012	1.0
202.06364	0.8
207.10196	2.0
223.09836	1.1
231.10182	2.1
293.10330	2.8
311.11340	9.6
311.15024	3.3
375.23819	1.1
443.13623	4.0
443.19238	4.3
446.21021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.1
57.03310	3.3
58.00464	4.2
59.01251	100.0
62.45066	1.1
63.21181	1.1
70.05194	1.1
71.01254	58.1
71.03252	2.9
72.01525	1.2
72.99181	5.6
73.02820	4.2
83.01262	4.5
85.02814	12.5
87.00759	2.6
89.02315	56.5
92.33961	1.2
95.01269	3.2
97.02867	1.6
99.00750	2.3
99.04403	2.1
101.02320	36.6
109.02855	8.0
113.02322	20.6
117.05367	1.4
118.97977	3.9
119.03385	26.3
121.06496	1.6
122.03616	1.9
124.05200	2.3
129.14595	1.2
131.03354	2.9
131.62842	1.3
133.02844	3.0
133.06479	10.4
135.04416	7.5
137.05978	2.5
139.07545	16.8
143.03378	3.9
149.04480	4.0
149.05962	2.5
149.36659	1.2
161.02383	6.8
161.04515	6.9
161.05803	2.3
165.03949	1.6
165.19928	1.4
169.08621	3.2
179.03348	3.8
179.05516	5.4
187.07590	1.2
187.11174	1.7
189.05582	1.6
191.05574	2.3
201.09145	2.1
202.09904	1.4
205.12306	4.3
217.12302	5.7
229.08665	2.1
235.13338	2.6
247.09636	1.6
251.05606	2.1
261.11359	2.4
275.09064	1.9
323.07709	8.3
330.13174	28.6
331.13928	16.4
397.18546	5.9
409.14993	2.2
441.17639	97.4
442.17932	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01250	100.0
60.01572	1.5
69.08349	1.6
71.50308	2.6
93.67062	1.2
112.90907	1.3
144.23805	1.3
154.00804	1.4
249.52628	1.5
269.10651	1.4
286.70627	1.4
289.18137	4.6
307.19119	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	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56701	0.3
59.01250	100.0
60.01594	1.0
71.49329	0.4
71.49676	0.5
75.35093	0.3
80.23580	0.3
81.78548	0.4
124.70108	0.4
169.12404	0.5
171.10248	0.6
209.11922	0.6
245.19165	0.5
249.50864	0.4
289.18231	2.7
307.19104	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	443.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01251	8.9
67.29931	0.4
70.12279	0.5
70.12681	1.1
71.01257	3.6
72.99178	0.4
73.02829	2.2
73.98180	1.2
74.98967	28.6
80.79853	0.4
83.01230	0.4
83.04889	0.5
85.02819	1.8
85.06455	0.4
89.02307	1.7
93.03345	0.4
97.06466	0.5
99.00755	1.0
99.04394	0.6
101.02332	2.4
102.98470	0.4
111.04398	1.4
113.02342	1.0
115.07542	0.9
119.03400	0.8
120.99538	100.0
121.99889	0.5
127.07545	1.0
127.11115	0.4
129.05481	0.6
133.02805	0.4
134.03627	0.4
135.04376	0.5
136.99040	23.5
149.04477	1.0
156.10187	2.7
158.11780	4.8
161.04480	1.0
161.09613	0.4
163.11250	0.6
173.04454	1.1
178.99962	0.4
179.05457	0.4
181.12276	5.9
187.07526	0.5
191.05536	1.3
207.10295	0.3
225.11281	4.7
231.10294	0.3
262.84927	0.4
311.15002	3.0
312.18201	4.8
402.06842	0.4
443.13956	0.7
443.19272	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.4
63.07106	0.7
64.02375	0.7
69.31002	4.1
69.31418	3.2
71.01253	2.5
72.99184	1.1
85.02837	1.7
89.02315	1.7
93.03336	2.2
100.34781	0.9
101.02351	2.7
111.08048	2.4
121.02884	2.2
122.03629	7.2
133.02785	0.9
135.26666	0.7
137.02328	3.3
149.02361	9.3
149.04460	1.6
150.03131	49.4
151.03505	1.7
159.04301	0.7
164.04707	1.4
165.01842	19.8
165.05484	66.6
166.05833	3.3
173.08125	3.8
179.03468	0.9
180.04198	19.8
181.04578	1.1
189.01868	1.6
191.05537	2.8
195.06560	100.0
196.06880	5.1
205.05009	1.8
212.89441	0.7
235.05992	0.8
235.11797	2.6
243.08810	1.3
277.13046	1.0
307.13510	1.0
391.14163	0.9
393.38608	0.8
394.95193	0.8
397.17154	1.4
421.26193	0.8
439.17523	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.7
61.98692	0.8
71.01262	2.6
75.00720	0.8
89.02303	1.6
93.03338	2.2
101.02296	1.3
106.34398	0.8
109.02920	0.7
121.02848	3.3
122.03631	7.2
136.01573	1.6
137.02367	7.1
145.08643	1.9
149.02338	24.4
149.04428	2.6
150.03127	56.0
151.03557	2.5
164.04694	5.4
165.01846	34.0
165.05482	53.5
166.02307	1.4
166.05824	2.5
171.23190	0.7
173.08061	1.0
179.03421	1.3
180.04190	24.5
181.04720	1.4
191.05579	1.1
195.06554	100.0
196.06892	5.5
201.61867	0.7
210.76698	0.8
235.06001	0.8
243.08633	3.4
273.07614	1.0
301.07120	2.2
307.13974	5.6
315.09012	0.9
316.09406	1.7
331.11880	8.5
338.80475	0.9
391.13959	15.8
392.14407	1.2
439.16772	2.9
447.53412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32319	0.8
51.76698	0.8
57.08080	0.9
59.01254	10.6
69.03331	1.0
69.23134	7.7
71.01254	9.1
89.02343	1.0
97.06480	3.4
101.69677	1.0
105.03270	1.1
106.04111	1.2
111.00760	1.0
111.48665	0.9
115.00266	2.8
121.02854	2.7
131.03404	1.4
133.02852	15.6
134.03639	56.9
135.04471	10.9
137.02332	14.2
139.03899	4.7
153.33336	0.8
162.03134	1.9
177.00299	1.3
177.01855	33.9
178.02635	100.0
179.03358	9.2
211.32399	0.8
231.10158	9.0
275.09244	30.3
276.09601	2.1
307.11856	21.7
308.12097	1.9
323.14896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16246	0.8
59.01264	4.4
69.99925	3.1
71.01241	2.4
72.99175	0.9
76.80891	1.0
87.00723	1.1
87.44089	0.8
87.67246	0.7
89.02318	2.1
93.03324	2.8
96.95887	0.8
101.02312	2.0
111.08028	1.7
112.08420	0.8
121.02820	2.6
121.49171	0.8
122.03642	6.4
133.02881	1.1
135.02853	2.7
135.04407	1.1
136.01564	1.0
137.02336	3.8
147.04378	1.0
149.02357	10.6
149.04350	1.9
150.03134	56.9
151.03517	1.8
161.02271	1.1
164.04649	1.6
165.01852	23.4
165.05482	68.0
166.02234	1.0
166.05801	2.7
168.27081	0.8
173.08118	1.8
173.53891	0.8
179.03409	1.5
180.02666	1.6
180.04184	21.3
191.05482	2.9
195.06561	100.0
196.06879	6.2
205.05035	1.0
225.07617	1.6
235.06143	1.6
235.11919	1.4
243.08675	5.5
391.13843	1.5
401.87097	1.0
439.17297	2.9
439.62170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.8
64.10394	1.2
69.23035	11.1
71.42503	1.0
73.02821	2.2
83.02760	1.0
90.84448	1.0
93.03330	1.8
93.74202	1.1
95.04910	1.8
97.06457	2.6
105.03353	7.0
106.04152	1.2
109.02938	1.2
111.00758	1.3
112.29968	1.0
121.02840	5.8
129.48392	1.0
131.03418	1.5
133.02850	77.9
134.03642	76.2
135.04449	22.2
137.01265	1.7
137.02342	32.8
139.03906	10.7
149.04443	2.8
150.03101	2.4
162.03123	1.3
177.01855	100.0
178.02634	96.7
179.03397	17.6
213.09137	3.1
231.10216	15.7
258.21442	1.1
275.09259	82.0
276.09543	6.6
307.08459	0.8
307.11850	23.6
308.12100	1.4
334.70093	1.0
407.13599	6.8
433.32483	1.2
439.16028	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.6
59.74149	0.4
67.31720	0.3
69.03330	0.3
70.57803	0.3
71.11098	0.4
71.37717	0.9
74.13936	0.4
77.98066	0.4
87.04408	0.6
95.89861	0.4
97.06461	6.1
101.02306	0.5
105.03358	0.7
106.04134	0.7
121.02814	0.4
131.03416	0.8
133.02863	4.5
134.03627	100.0
135.04485	7.8
136.71985	0.3
137.02339	2.2
139.03899	0.8
141.81657	0.4
165.82571	0.4
177.01845	6.6
178.02632	19.4
179.03307	1.9
196.01479	0.4
231.10173	3.6
255.02919	0.4
275.09232	5.1
276.09601	0.7
283.02374	0.5
303.05215	0.4
307.11853	85.7
308.12195	7.8
439.13779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50108	0.5
57.03334	0.5
59.01248	4.0
61.98698	0.8
69.22810	1.4
69.23224	3.9
70.29154	0.5
71.01256	0.9
73.02814	1.5
83.97333	0.5
89.02331	0.6
90.21164	0.5
93.03350	1.0
95.04942	0.5
97.06470	6.1
101.02335	0.8
105.03348	2.3
106.04124	0.6
121.02838	1.8
131.03430	1.4
133.02850	23.3
134.03635	100.0
135.04457	16.9
137.01285	0.8
137.02344	13.1
139.03946	2.8
149.04448	0.6
150.03189	0.8
177.01860	32.4
178.02634	33.0
179.03372	6.3
187.07607	0.6
191.05484	0.8
198.49623	0.7
203.10719	0.7
213.09106	1.0
231.10208	5.3
261.98895	0.5
263.12927	1.0
275.09268	26.3
276.09598	1.9
296.99524	0.7
307.11871	70.5
308.12137	7.5
439.16022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56224	0.6
59.01246	4.1
60.49279	0.7
68.88162	0.8
69.03281	0.8
71.01251	1.7
73.02814	1.8
93.03333	1.1
97.06479	2.1
105.03326	2.0
106.04137	0.9
109.02794	0.7
109.25146	0.6
111.00770	0.8
121.02820	2.7
131.03407	2.4
133.02861	21.1
134.03641	60.1
135.04489	10.0
137.02359	15.8
138.02675	0.9
139.03888	4.9
147.24107	0.7
149.02272	1.7
149.04422	2.1
150.03105	1.4
153.19354	0.7
162.03123	3.0
165.01874	1.0
177.01865	30.1
178.02643	100.0
179.03329	10.7
213.09128	1.2
231.10229	7.5
275.09280	29.3
276.09500	1.9
307.11841	16.2
308.12338	1.8
356.74454	0.8
439.15826	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
69.71076	0.7
69.71489	0.9
71.01241	0.7
73.02815	1.2
93.03341	0.3
97.06464	5.8
98.06859	0.3
98.20451	0.5
103.03881	0.4
105.03334	0.8
106.04147	0.6
121.02821	0.5
123.35946	0.3
124.07626	0.3
126.44177	0.3
131.03384	1.6
133.02844	4.6
134.03632	100.0
135.04489	9.1
136.04756	0.4
137.02304	1.7
139.03926	0.7
150.02975	0.3
168.20700	0.3
177.01854	6.8
178.02632	19.8
179.03259	1.8
231.10255	4.3
232.10555	0.4
263.12845	0.3
275.09265	6.6
276.09604	0.5
307.11856	72.3
308.12213	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	438.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.5
60.01577	0.4
61.98717	0.5
65.19024	0.3
70.02850	0.4
70.88593	0.7
70.88943	0.4
71.01251	6.7
72.00779	0.7
73.02829	1.3
87.00748	0.5
88.03915	37.8
89.02312	4.0
89.04264	0.4
93.03349	0.3
100.03912	0.8
101.02328	1.0
113.02311	0.3
114.01847	3.2
115.00256	12.3
131.03392	0.9
132.02921	100.0
133.03294	1.9
134.03651	0.6
135.04402	0.7
137.02324	1.5
147.04414	0.3
148.98262	0.3
149.04462	14.4
154.80067	0.3
156.08923	0.3
158.80891	0.3
159.04408	0.6
161.02333	0.4
165.01830	2.8
166.02162	1.6
172.05209	0.8
173.04526	0.6
173.06001	0.7
174.06763	1.2
175.07602	0.6
179.03441	0.9
180.04158	1.5
180.07207	0.3
181.04495	1.0
187.03978	0.7
187.07561	5.1
189.71255	0.3
191.05508	0.9
194.05756	0.4
195.06517	2.7
196.06956	1.7
200.04816	0.4
201.05423	0.8
201.09244	0.4
202.06302	3.0
203.10716	1.6
210.05278	0.5
211.05562	0.3
213.09230	1.5
215.07051	0.8
225.07668	1.5
226.08012	1.8
229.08661	0.7
230.09146	0.5
231.10233	2.9
245.11690	0.5
246.05179	0.3
255.02885	0.3
263.12689	1.6
275.09250	5.8
285.04065	0.7
289.10864	0.9
307.08411	0.2
307.11838	5.9
336.10416	0.5
378.15366	0.8
405.73779	0.3
438.17645	17.9
439.17725	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	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01560	0.8
61.98703	1.1
71.01250	7.3
71.50919	1.3
72.99206	1.1
73.02821	3.5
83.01263	1.4
85.02846	3.9
89.02319	2.5
93.03372	0.9
95.01286	0.9
97.06441	1.0
99.00762	1.7
101.02328	5.2
105.59790	0.6
113.02338	3.3
129.81802	0.7
135.04460	1.1
137.52206	0.7
161.04488	2.0
173.08115	1.0
187.03947	1.6
191.05591	2.3
202.06369	2.5
215.07124	1.8
239.26450	0.7
274.96646	0.7
290.18958	0.7
305.19727	3.5
317.19882	1.4
335.20779	9.8
377.21829	3.5
436.29523	0.7
437.23999	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09687	10.2
58.45974	9.3
59.01250	77.5
61.98700	21.5
69.65913	73.8
78.95783	53.9
85.05696	10.0
101.79732	12.4
124.62593	10.5
152.99489	100.0
156.15088	12.0
229.06058	10.2
368.01895	11.4
412.24078	11.2
450.01331	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	435.2515
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
54.00430	0.3
59.01229	1.0
60.30023	0.3
60.45694	0.3
65.63253	0.3
68.48769	0.3
70.16792	0.3
78.95772	49.4
88.90516	0.3
96.96836	6.7
98.19778	0.9
130.93340	0.3
150.97942	1.3
152.99484	100.0
153.99837	1.7
171.00540	4.6
229.28845	0.5
281.24805	1.1
391.68405	0.3
435.25162	7.0
436.25690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84771	0.4
57.03330	2.9
59.01273	0.9
59.45390	0.4
68.86135	0.5
71.01267	0.9
71.26395	1.1
73.02808	0.8
79.48881	0.4
83.04906	6.3
89.02319	0.8
89.05879	0.4
100.59970	0.5
101.02338	0.5
101.56297	0.4
104.42319	0.5
109.06476	1.7
109.92276	0.4
111.08048	62.5
112.08395	2.0
129.09079	3.1
131.03375	1.2
141.41890	0.4
149.04483	1.4
155.07027	0.6
173.08119	100.0
174.08458	4.7
179.54231	0.5
183.82758	0.5
191.05464	1.0
201.11263	1.5
293.06580	0.5
305.12439	30.6
306.12817	2.1
357.00790	0.6
437.16595	28.9
438.16925	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	437.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60234	0.4
57.03324	3.0
59.01271	2.3
65.35921	0.3
67.41840	0.4
70.94386	0.4
71.01264	0.8
71.36254	0.6
73.02818	0.8
83.04900	5.2
84.51446	0.4
89.02344	0.9
90.57637	0.4
99.03173	0.4
99.04375	0.6
101.02325	1.1
109.06485	1.5
111.08047	64.1
112.08392	2.1
113.02326	0.5
116.39886	0.4
126.93298	0.5
129.09126	2.7
131.03407	1.2
138.05510	3.1
148.35396	0.4
149.04475	2.0
155.06985	0.4
165.01878	0.4
168.48399	0.4
173.08118	100.0
174.08466	4.6
177.05418	0.7
180.04301	0.7
181.05119	0.6
191.05556	0.6
193.05025	1.3
195.06512	0.9
201.11259	5.1
212.08337	0.4
253.09317	0.7
305.12415	25.3
306.12766	1.4
317.99695	0.4
345.01230	0.4
437.16602	19.3
438.16873	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	437.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89808	0.3
57.03320	4.0
59.01244	0.8
69.03323	0.4
70.83220	0.6
71.01259	0.6
73.02820	0.9
75.11512	0.2
81.03336	0.5
83.04896	9.4
85.02785	0.3
86.14570	0.2
89.02312	0.7
101.02309	0.4
109.06473	2.3
111.08038	76.5
112.08376	2.5
115.91969	0.4
128.56081	0.2
129.09108	4.1
130.09387	0.3
131.03412	0.8
149.04439	1.0
155.07027	0.7
173.08105	100.0
174.08441	4.7
190.35503	0.2
191.03065	0.3
191.05551	0.6
194.84312	0.2
197.08066	0.3
201.11121	0.3
238.96492	0.2
262.96777	0.3
278.61298	0.3
305.12411	27.5
306.12769	1.9
347.13477	0.3
357.00522	0.3
437.16611	26.4
438.16965	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	437.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	8.6
67.01795	1.4
71.01280	2.2
71.37057	2.1
72.33462	0.8
81.67371	1.0
85.02824	2.0
87.00744	1.3
88.05665	0.9
89.02312	1.7
93.03365	2.1
101.02345	1.1
105.39457	0.9
108.02079	1.2
109.02843	2.5
111.27625	0.9
112.22078	0.9
119.01280	2.0
126.85046	1.1
135.00755	2.3
136.01534	3.2
137.02364	17.6
149.04433	2.5
151.03926	3.8
153.01837	6.3
164.01039	5.1
164.04596	1.0
165.01849	100.0
166.02254	2.7
168.04204	3.8
173.04500	2.3
173.08049	1.0
179.03426	59.2
180.04202	63.8
181.04926	9.9
182.05682	2.2
191.05510	2.8
193.08675	3.3
194.05780	12.3
195.02890	2.3
195.06570	76.2
196.07237	9.6
197.08046	2.8
209.08034	1.3
210.05255	11.9
211.05740	1.2
211.09702	11.3
225.07661	58.7
226.07997	3.3
229.08612	2.1
257.12866	1.4
302.63782	0.9
359.11386	27.1
360.11487	3.2
374.13702	13.3
389.16077	74.9
390.16434	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.1
59.01250	100.0
60.01580	1.9
61.98693	4.0
63.18277	0.7
67.01752	1.3
71.01265	6.4
71.50587	1.0
73.02811	3.1
73.37959	0.7
79.05395	1.0
81.03331	3.7
83.01229	1.1
83.04900	1.0
85.02835	2.7
87.04385	0.7
89.02324	3.6
90.91514	0.7
93.03348	2.5
95.01279	0.8
99.00713	1.6
99.04356	1.8
101.02353	5.0
101.02898	1.2
103.03900	0.7
113.02335	1.9
115.24626	0.7
119.04900	4.3
125.02300	1.2
127.22150	0.8
134.03629	0.9
136.07613	1.3
136.25636	0.9
137.02339	7.1
139.00244	0.9
145.02831	1.6
149.04478	5.3
150.04803	1.1
156.47826	0.8
157.63115	0.8
161.02332	3.1
161.04480	2.7
163.03889	4.8
164.01059	0.8
165.01849	42.8
166.02130	2.3
173.04478	2.3
174.06772	0.8
179.03450	10.9
180.04198	24.8
181.04712	1.0
187.07571	2.6
188.07904	1.7
191.05498	3.4
194.05783	4.8
195.06561	35.0
196.07030	1.5
206.09433	0.9
209.08134	6.5
210.05283	5.9
213.09157	1.2
225.07652	26.3
231.10048	1.3
232.10594	2.3
259.14557	4.2
275.09189	2.6
276.09586	4.1
303.13702	2.6
303.18399	1.0
303.21655	5.2
347.16171	0.8
375.23853	2.3
392.12396	0.9
393.24841	2.8
435.16226	3.4
440.82535	1.0
455.90192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13989	7.9
59.01249	100.0
69.74255	44.8
71.01250	38.3
72.99219	8.3
73.02825	14.1
75.00749	12.9
77.88232	7.1
80.64965	7.5
87.00774	9.1
89.02344	18.6
93.03383	9.5
96.95883	81.7
99.00768	15.7
101.02322	29.1
102.69746	7.6
106.73486	7.3
113.02327	12.0
119.03369	9.8
119.04920	8.5
127.07552	38.4
134.83896	8.7
149.04416	11.4
161.04420	8.8
171.06502	20.9
173.02341	9.1
186.00310	8.3
191.05548	26.1
196.42180	8.2
240.97926	8.6
247.98134	9.4
278.15460	7.6
293.78360	9.6
448.46255	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62352	0.8
57.03324	100.0
59.01250	83.0
60.01590	1.0
61.98708	0.9
64.97955	0.9
71.01253	8.4
73.02815	3.2
78.95799	1.6
81.03323	1.8
83.01278	1.2
85.02821	4.9
86.66793	1.1
87.00743	1.6
89.02321	1.6
99.00775	1.5
99.04395	78.6
100.04737	2.4
101.01659	0.8
101.02320	20.8
113.02337	3.8
125.02339	30.5
126.02674	1.4
134.03633	1.0
161.04460	2.8
173.04454	1.6
191.05626	2.6
199.09599	1.2
203.36447	0.9
291.18124	14.4
300.48224	1.0
329.14374	0.9
435.16086	1.3
435.21912	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	434.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06186	0.2
59.00961	0.4
59.01252	7.5
60.30102	0.2
69.38612	0.7
69.39030	1.3
71.01261	0.5
73.02800	0.4
82.02861	0.5
84.04423	0.3
86.22571	0.2
97.06467	0.3
98.19808	0.4
101.02288	0.4
128.03427	100.0
129.03781	2.2
131.03418	0.4
133.02876	0.4
134.03636	0.7
135.04408	0.4
170.97031	0.3
177.01819	0.6
178.02620	0.5
179.03369	0.3
191.05513	0.2
229.14435	0.5
231.10278	0.9
263.93970	0.3
275.09213	3.0
276.09515	0.4
287.22464	0.8
302.10446	1.1
374.16211	1.0
375.16003	0.3
434.18195	7.3
435.18445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17815	0.6
59.01250	37.1
60.01571	0.6
69.21623	7.6
71.01250	4.7
73.02802	4.7
83.01241	1.1
85.02825	2.4
89.02328	2.0
93.03333	1.2
98.20580	1.5
99.00752	2.4
99.04398	0.7
101.02311	5.1
103.02780	0.7
109.02850	1.5
113.02322	1.4
119.03357	0.9
125.66206	0.7
134.03629	0.7
135.00793	1.6
135.04442	0.7
136.01529	2.3
137.02348	14.0
139.00214	0.8
147.00798	0.8
149.04437	1.5
151.03902	2.4
153.01869	3.5
161.02350	5.8
161.04430	3.1
164.01064	3.0
165.01843	100.0
166.02165	5.2
167.10143	0.6
168.04176	1.2
175.07588	1.0
176.04756	2.8
177.01781	0.7
179.03419	41.4
180.04193	63.2
181.04552	2.8
191.05521	2.6
191.07080	1.5
194.05779	17.0
195.02882	2.9
195.06555	85.6
196.06833	4.0
199.09743	0.7
209.08133	16.8
210.05290	12.5
210.08386	0.9
225.07631	57.8
226.08040	4.0
232.10541	0.7
261.13385	10.8
285.20837	0.9
303.14407	2.9
303.21738	9.1
329.10254	1.7
357.09729	7.4
358.10370	1.0
372.12143	4.6
376.89331	0.7
387.09479	1.3
387.14490	24.9
388.14798	3.9
391.88065	0.8
435.17587	1.2
435.22720	1.0
435.29865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01252	7.7
61.98693	1.2
62.55020	0.5
69.03327	0.6
71.01249	2.0
71.51186	0.8
73.02825	1.2
75.23333	0.5
85.02808	0.5
89.02312	1.1
93.03326	1.4
95.04902	1.4
97.06480	1.8
99.00773	1.2
99.04366	0.6
101.02328	1.1
105.03351	4.5
109.02881	0.6
113.02296	0.6
117.03336	1.3
121.02834	2.1
123.04379	1.2
131.03366	2.3
133.02847	24.9
134.03633	44.4
135.04474	7.0
137.02335	11.3
138.02655	0.7
139.03906	3.5
143.87540	0.5
145.02838	2.0
149.02374	1.4
149.04445	1.4
149.99483	1.3
150.03139	1.2
151.03912	0.7
160.01532	0.5
161.02336	5.9
162.03140	23.8
163.03459	1.1
165.01852	0.6
174.26093	0.6
177.01859	31.7
178.02623	24.0
179.03381	3.1
185.05891	0.5
187.07599	1.1
190.45151	0.6
191.05563	1.4
194.05870	1.0
195.06664	0.6
203.10721	0.6
209.08015	1.1
213.09119	0.8
222.73457	0.5
225.11195	0.6
229.12386	0.6
231.10222	17.7
232.10619	1.0
273.07635	1.2
273.10983	0.5
275.09253	100.0
276.09610	7.0
277.74994	0.5
302.10330	0.9
390.66620	0.5
407.13519	6.4
408.13943	0.7
434.14511	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	434.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63392	0.7
57.03320	6.1
59.00959	1.5
59.01250	29.6
60.01571	1.1
60.33226	0.8
61.98693	1.7
69.52798	3.6
69.53205	1.8
71.01254	6.3
73.02820	1.6
85.02826	1.6
87.00729	0.9
87.04394	3.1
89.02291	2.1
93.03350	0.8
97.06483	1.1
99.00749	3.6
101.02335	3.8
103.03892	50.4
105.03326	2.4
111.00777	0.8
113.02341	1.5
119.03361	1.1
121.83894	0.8
123.04395	1.4
124.01569	0.8
125.02306	2.5
126.02664	0.9
128.03418	2.9
131.03394	2.5
133.02855	8.3
134.03625	15.1
135.04460	6.8
137.02342	1.8
137.99593	0.8
149.04431	1.0
151.00256	2.4
151.03880	1.1
152.00609	2.0
153.01785	3.0
154.02615	1.4
161.02316	1.0
161.04445	1.1
161.05893	0.8
165.01859	0.9
166.02583	1.3
170.01862	0.8
173.04453	1.6
177.00421	0.8
177.01833	3.6
178.02618	7.1
179.03365	1.4
180.04111	0.9
181.04886	1.8
187.07506	1.4
191.05600	1.7
194.05598	0.9
204.03815	0.9
209.08173	0.8
231.10219	25.5
232.10506	1.9
275.09256	100.0
276.09573	8.1
302.10336	34.0
303.10727	2.2
307.17688	1.5
419.13147	1.1
434.15909	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	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.19584	0.4
55.97956	0.4
59.01245	4.3
61.98700	0.6
71.49908	0.6
78.95783	1.3
79.24403	0.4
83.39388	0.4
93.03333	0.5
109.22653	0.4
117.03350	15.4
119.04913	25.3
120.05221	0.5
121.02834	1.8
123.04482	0.5
138.90558	0.4
145.02853	100.0
146.03175	4.7
152.99501	1.7
161.04533	0.6
161.06020	0.7
163.03920	17.9
164.04271	0.6
166.02623	1.2
181.04993	1.8
184.62932	0.4
189.05396	0.9
251.52406	0.4
269.21136	1.8
275.90329	0.4
287.22290	8.0
288.22559	0.5
301.44974	0.4
338.19547	0.4
401.16092	2.2
415.24777	0.6
433.25931	35.8
434.26355	5.2
447.40146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03331	0.9
59.01254	100.0
60.01594	1.0
61.98709	0.4
66.67200	0.4
71.01256	6.1
71.50568	0.8
73.02827	2.6
75.00748	0.5
83.01279	1.8
85.02833	3.0
85.99986	0.4
87.04397	2.4
89.02335	3.5
93.03350	0.6
95.01300	0.6
96.95928	0.8
99.00797	0.7
101.02332	5.3
101.32988	0.5
107.01320	0.7
113.02344	3.3
114.83511	0.4
119.03426	1.4
125.02368	1.7
131.03481	0.5
141.67555	0.4
149.04526	1.0
151.00282	2.4
153.01859	0.6
161.04497	3.3
169.01329	0.9
178.99896	0.6
179.05597	0.9
187.07666	0.8
191.05647	1.2
195.00102	0.4
199.13216	0.7
215.07094	0.5
227.07124	0.4
275.09329	1.4
283.01154	0.5
301.20044	2.8
308.29294	0.4
331.17816	0.8
343.29449	0.4
373.22354	4.7
374.22760	0.5
391.23999	0.8
392.89798	0.5
433.15271	0.8
433.24222	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03322	1.0
58.00467	2.8
59.01249	100.0
60.01588	1.2
67.66814	0.3
69.72997	1.3
71.01254	44.7
72.01594	0.8
72.99191	2.7
73.02817	2.6
79.11633	0.3
81.03370	0.3
83.01265	1.7
85.02824	6.7
85.03302	0.5
87.00748	3.2
89.02317	60.7
90.02668	0.9
95.01260	3.9
98.20575	0.3
98.23071	0.3
99.00765	0.4
101.02322	26.6
102.02684	0.3
111.00761	0.3
113.02329	18.9
119.03391	25.9
120.03770	0.5
123.00738	0.6
125.02338	0.8
131.03416	3.5
139.00214	0.7
143.03406	5.4
143.04420	0.2
149.04459	2.3
151.00276	0.3
161.04465	7.9
178.02800	0.3
179.05536	27.5
180.05875	0.8
191.05560	0.4
193.05067	0.7
197.15482	0.5
210.51012	0.3
219.13873	0.5
235.17125	0.5
257.17627	0.7
271.19122	6.3
272.19653	0.5
301.20255	0.7
331.17706	0.7
367.34796	0.3
373.13022	2.4
373.17599	0.4
382.59055	0.3
403.14468	0.6
409.28876	0.3
418.12744	0.7
421.18384	0.5
433.15762	5.2
433.24405	58.2
433.69504	0.3
434.15863	0.6
434.24765	7.3
439.42276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.26640	0.2
54.09205	0.2
59.01244	0.5
62.96273	0.4
64.08144	0.2
71.07675	0.4
78.95773	50.8
87.65465	0.2
96.96840	6.1
150.97906	1.5
152.99487	100.0
153.99837	1.7
171.00540	3.8
223.40750	0.2
257.69092	0.2
271.10229	0.2
279.23358	1.0
392.04196	0.3
433.23599	5.6
434.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33785	0.2
59.01250	2.7
64.22227	0.2
71.49594	0.4
71.49981	0.3
78.95771	69.3
96.96841	6.4
106.93195	0.2
150.97943	1.8
152.99483	100.0
153.99854	2.0
166.02641	0.4
171.00577	2.6
182.05682	0.2
183.22285	0.3
185.70023	0.2
207.34843	0.3
279.23221	1.3
280.23657	0.4
376.43524	0.3
381.23367	0.3
401.16122	0.5
433.23584	11.9
434.23914	1.5
434.28931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98089	0.4
55.01751	0.9
57.03320	1.3
58.00475	2.7
59.01249	100.0
60.01572	1.1
71.01251	46.6
72.01611	0.8
72.99177	3.4
73.02813	3.2
83.01252	2.6
85.02826	8.7
87.00743	2.5
87.04411	0.6
89.02314	59.1
90.02640	1.3
95.01260	3.0
98.20560	1.1
99.00745	0.5
99.04373	0.4
101.02320	27.4
102.02648	0.7
107.01246	0.4
109.02771	0.6
113.02327	19.8
114.02678	0.4
119.03387	23.6
125.02332	2.5
131.03403	2.6
135.04440	0.8
143.03398	6.2
149.04440	2.8
151.00302	3.4
153.01868	0.5
161.04474	6.1
161.05849	0.7
169.01329	0.9
178.99789	0.5
179.05528	19.8
187.07515	0.7
191.05536	0.5
197.11783	1.7
197.15385	0.9
202.06233	0.5
225.65439	0.4
233.15401	0.7
235.17038	1.4
237.14911	0.4
251.16426	0.5
253.17967	0.6
271.19128	18.9
272.19357	2.0
275.09262	1.1
300.02689	0.5
301.20203	2.3
302.59760	0.4
336.08044	0.6
373.22543	2.1
391.23221	1.5
433.24384	76.4
434.24759	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86010	0.2
52.76991	0.2
55.01771	0.2
57.03319	0.6
59.01249	100.0
60.01588	1.6
65.95042	0.2
71.01254	4.1
72.10261	0.2
72.99235	0.3
73.02813	1.3
83.01276	0.6
85.02827	1.5
87.00777	0.3
87.04382	0.2
89.02322	3.2
93.03343	0.3
95.01240	0.4
98.20552	0.8
99.00751	0.3
101.02327	3.0
113.02328	1.9
119.03403	1.0
119.04950	0.5
125.02343	0.6
126.11215	0.2
131.03464	0.3
139.11179	0.3
143.03418	0.4
151.00276	0.5
152.99513	0.2
153.05533	0.5
159.03015	0.3
161.04521	1.1
161.06032	0.3
164.96790	0.2
168.04280	0.2
173.05974	0.3
176.01048	0.3
179.03433	0.5
179.05565	0.8
183.10294	0.2
187.07597	1.0
189.03958	0.4
191.03552	0.3
191.05609	0.5
192.04257	0.6
207.06538	0.5
208.03754	0.4
209.08174	0.3
223.06169	0.7
243.03058	0.5
243.12355	0.5
255.02998	1.5
271.02472	2.3
271.19254	0.3
272.03116	0.3
275.09225	2.6
300.02759	4.6
300.15121	0.3
301.03445	1.5
331.17807	0.7
373.18472	0.4
433.07761	1.5
433.13403	0.3
433.24408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
55.46658	0.3
57.71961	0.3
58.08841	0.3
58.83720	0.3
59.01254	100.0
60.01598	1.4
61.98740	0.3
66.67294	0.3
69.16045	0.8
69.16456	3.2
71.01258	2.9
73.02824	1.0
83.01278	0.7
85.02862	0.7
89.02318	1.8
95.01280	1.4
97.54289	0.3
98.20686	0.5
99.00789	0.4
99.02899	0.4
100.36893	0.3
101.02333	2.2
113.02348	1.2
119.03410	0.6
123.00788	0.7
125.02425	0.4
125.09673	0.6
139.00308	1.3
139.03944	0.6
149.04503	0.4
151.00302	0.9
153.01868	0.5
160.04228	0.4
161.04486	1.4
162.03156	0.4
166.02658	0.7
175.03888	0.4
177.05450	0.4
178.02681	1.0
187.07536	0.4
191.03438	0.6
192.04163	0.7
193.05055	1.4
203.03377	0.4
204.04353	0.4
207.06712	0.4
211.13448	0.3
215.92300	0.3
219.06346	0.4
247.36510	0.3
257.17606	0.8
260.00504	0.3
275.09384	0.5
283.99890	0.3
301.20126	3.0
331.17731	1.4
335.17032	0.4
343.08224	0.5
355.08524	0.3
358.10599	1.2
373.09039	0.6
373.13071	3.7
373.22534	1.2
374.13446	0.4
391.23419	0.9
403.09842	0.6
403.14233	1.3
418.12897	1.3
433.15094	8.1
433.24390	0.9
434.15671	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01584	0.8
67.36705	0.3
69.50639	0.6
69.51037	2.2
71.01250	1.7
73.02818	0.6
75.00784	0.3
76.14373	0.3
83.01286	0.3
85.02848	0.6
89.02331	0.8
95.01283	0.7
99.00774	0.3
101.02348	1.2
108.01981	0.3
113.02320	0.7
123.00771	1.2
124.01552	0.3
125.02316	0.4
127.00334	0.4
136.98694	0.3
137.02434	0.3
138.03079	0.4
139.00262	1.4
139.03923	0.4
147.04413	0.4
149.04510	0.6
151.00272	0.6
153.01883	0.6
155.10747	0.5
161.04471	0.6
166.02641	1.3
167.03442	0.4
176.01038	0.3
177.01886	0.7
177.05527	0.5
178.02686	0.9
181.05052	1.1
191.03392	0.3
192.04181	0.5
193.05025	1.3
203.03493	1.3
207.06639	0.8
218.05801	0.9
231.10175	0.3
231.55023	0.3
233.08189	0.4
280.03860	0.3
286.82095	0.3
301.20313	0.3
306.47333	0.3
331.17603	0.7
343.08072	0.4
358.10651	0.7
360.72589	0.3
373.09042	0.5
373.13071	3.4
373.22476	0.8
374.13217	0.4
385.13037	0.3
403.10046	0.7
403.14264	0.8
418.12769	1.0
433.15128	6.1
433.24265	0.5
434.15604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90688	1.2
58.67562	1.0
59.01254	9.5
70.81671	1.9
70.82027	2.5
71.01257	2.7
73.02829	1.5
77.23021	1.1
87.00751	1.9
98.19836	1.1
99.00750	2.2
109.02837	6.6
111.00783	2.3
119.04890	1.5
123.00791	3.7
123.04481	1.2
124.01553	3.6
133.02910	1.2
134.03645	1.9
137.02351	17.5
138.03183	7.2
138.04103	1.2
139.00301	4.6
139.03912	5.5
147.04395	3.3
148.05276	1.2
150.03185	1.7
151.00273	15.5
151.03951	2.9
152.01071	6.6
152.04736	3.3
153.01830	2.0
153.05453	7.0
154.02646	1.7
159.04437	4.9
161.02377	2.6
161.05971	20.9
161.07193	1.5
162.03006	1.4
163.03906	3.1
165.05399	1.2
166.02632	57.8
167.03375	6.7
170.62827	1.3
173.02350	1.7
174.03131	11.0
175.03925	6.7
176.04669	1.2
177.01845	1.9
177.05469	1.8
178.02751	1.5
178.06232	1.6
179.03481	2.4
181.04985	83.3
182.05389	4.3
184.03706	2.1
187.03986	7.1
187.07597	2.7
188.04704	3.6
189.05501	100.0
190.05997	9.8
191.03439	3.6
192.04250	2.3
193.05042	1.2
197.06065	1.8
202.06300	5.1
203.03426	1.7
203.07112	4.7
204.04198	1.9
204.07831	16.0
205.05051	3.5
205.08513	2.1
207.06519	1.9
209.08234	1.6
211.07677	1.8
217.05043	1.4
217.08659	2.6
218.05917	1.7
219.06567	3.6
219.10280	2.4
221.04613	1.5
222.08853	1.9
225.05743	1.1
227.10701	2.3
255.10127	1.4
267.06625	2.1
270.66006	1.2
279.03235	1.3
279.06857	1.3
283.06174	5.5
285.07742	1.3
294.05157	1.5
295.06265	2.5
297.07819	1.2
300.02664	1.6
311.05606	9.6
311.09042	1.8
312.06284	1.6
313.10837	2.4
315.12204	1.9
325.07364	1.6
325.10959	1.5
326.07944	9.7
327.08621	1.5
336.05005	3.2
340.13058	1.9
341.10266	20.4
342.10843	3.3
353.10452	2.6
356.09082	1.5
356.12787	9.5
357.13452	4.4
371.11273	14.0
371.15173	32.5
372.11530	2.3
372.15729	2.5
373.13037	4.8
383.15125	2.1
383.90768	1.2
386.13696	20.7
387.14059	2.4
388.15430	2.4
401.16052	86.6
402.16476	10.2
403.13861	3.9
403.17886	4.2
418.16467	12.8
433.18829	51.0
434.19296	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36057	0.5
53.77633	0.5
57.03326	1.2
59.01251	100.0
60.01594	0.9
69.46368	3.7
71.01260	2.3
73.02823	1.0
85.02837	0.7
89.02329	2.4
93.03265	0.5
95.80804	0.5
96.40902	0.5
99.04391	0.6
101.02359	2.2
106.76520	0.5
113.02332	1.0
117.48438	0.5
119.03372	1.1
124.86369	0.5
125.02381	0.5
134.44376	0.5
139.05223	0.6
139.11383	0.5
145.38408	0.5
151.00304	0.7
161.04495	0.8
165.16214	0.5
198.56586	0.5
243.02965	1.3
255.03064	3.4
257.89566	0.6
271.02454	9.0
272.02985	0.8
275.09305	0.8
300.02753	20.7
301.03439	5.6
331.17801	1.2
373.18835	0.7
433.07767	11.6
433.24423	0.9
434.08035	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	433.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70069	0.9
52.21109	1.0
59.01250	4.0
61.98689	1.2
69.18137	3.9
69.18558	5.3
71.01250	1.2
73.02811	1.2
87.00743	2.2
98.06917	1.0
99.00075	0.8
101.02350	1.4
121.02848	3.9
123.00778	2.0
137.02351	2.0
138.03119	1.4
139.00278	3.3
139.03908	2.0
149.02325	6.8
150.03087	2.1
151.00285	17.2
151.03906	2.2
152.01067	6.4
153.01828	3.2
153.05469	1.5
159.04453	0.9
161.02312	3.4
161.05992	20.9
164.04684	4.5
165.05533	1.5
166.02631	56.2
167.03407	10.3
173.72346	0.8
175.03967	2.8
176.04692	2.5
177.01955	1.6
177.05466	2.8
179.03438	5.9
179.07152	1.3
181.04988	100.0
182.05363	4.8
187.03883	1.1
187.07637	1.0
189.05498	71.7
190.06007	6.5
191.03429	1.0
191.07014	2.1
192.04091	1.1
193.05026	1.0
194.05743	3.9
197.06042	1.6
199.07529	1.6
203.07011	1.2
204.04312	1.2
204.07870	21.4
205.04845	4.2
205.08281	2.4
209.08058	5.7
218.05774	1.9
219.06595	2.8
219.10255	2.5
221.04561	1.2
227.10695	2.0
229.12422	1.4
235.09903	1.2
267.06534	1.1
271.09805	1.5
273.11435	1.7
305.80676	1.0
315.12473	1.6
316.73041	1.0
318.46417	1.0
323.05807	1.2
326.07755	1.2
341.10321	1.9
342.11096	1.1
343.11954	1.2
353.10129	3.1
368.12689	2.9
371.11221	3.4
371.15125	3.4
373.12698	1.1
379.26291	0.9
383.14865	3.4
386.13696	6.9
401.16043	95.6
402.16336	11.5
418.16949	1.3
433.13800	1.6
433.19592	5.9
434.18619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02882	0.3
57.03308	0.4
59.01249	2.7
67.14207	0.3
67.52390	0.3
71.01237	1.0
71.37840	0.5
73.18621	0.3
78.50536	0.3
83.01254	0.6
85.02783	0.3
87.00743	0.5
87.42081	0.3
93.03326	0.7
95.01266	0.3
98.28877	0.3
101.02260	0.4
105.03340	0.4
107.04882	0.7
109.02817	0.6
111.00719	0.9
113.02331	0.4
119.04900	0.5
121.02829	5.2
121.06500	0.7
123.00766	2.4
123.04417	0.5
124.01538	1.4
127.00312	0.4
129.79051	0.4
133.02827	0.7
133.06525	1.8
135.04430	0.7
136.98708	0.4
137.02357	2.5
137.99472	0.4
138.03149	1.8
139.00255	3.3
139.03889	1.3
147.04425	0.8
149.02347	10.9
149.05949	0.9
150.03137	2.4
151.00270	22.2
151.03891	2.5
152.01071	7.6
152.04782	0.4
153.01915	1.5
153.05467	2.9
154.02609	1.0
159.04404	1.2
160.01595	0.5
161.02365	2.3
161.05986	21.5
162.03070	1.1
162.06360	0.5
163.03894	1.1
164.04710	7.0
165.01874	0.7
165.05493	2.6
166.02628	66.1
167.03398	9.7
168.04033	0.6
173.06001	0.5
174.03162	1.3
175.03929	3.1
175.07620	0.5
176.04657	2.9
177.01910	2.1
177.05501	3.5
178.02629	1.1
178.04239	0.3
178.06099	0.4
179.03424	8.2
179.06975	1.7
180.03932	0.3
181.04980	100.0
182.05313	5.1
187.03918	2.0
187.07585	0.7
188.04678	1.2
189.05499	71.8
190.06090	6.3
191.03441	1.6
191.06990	2.0
192.04213	1.6
192.07971	0.7
193.05005	2.1
194.05783	5.5
197.06067	0.5
201.09146	0.4
202.06282	1.3
203.03444	0.5
203.07042	1.2
204.04105	1.0
204.07855	18.3
205.05020	4.3
205.08295	2.3
206.05505	0.4
207.06584	1.3
209.08116	6.9
210.08487	0.5
211.07581	0.5
211.09627	0.4
217.04857	0.3
218.05807	2.4
219.06631	3.5
219.10181	1.7
220.07445	0.6
221.04533	1.5
222.09056	0.4
227.10803	1.2
233.08107	0.4
235.09657	0.7
255.10172	0.4
267.06589	0.8
269.08136	0.6
271.09882	0.6
273.11456	0.6
283.06119	0.3
295.06146	1.0
307.06287	0.7
309.07666	0.4
310.08505	0.5
311.05579	0.8
311.09500	0.5
313.10831	0.7
315.12234	0.5
322.08502	0.5
323.05710	0.4
325.10815	0.6
326.07901	0.7
336.04712	0.4
337.10776	0.5
338.08060	1.2
340.13019	0.4
341.10168	2.0
342.10995	0.4
343.11871	1.5
352.09515	0.5
353.10281	3.2
354.10886	0.6
356.12772	1.1
357.13458	0.9
368.12518	1.6
371.11301	3.9
371.15222	2.8
372.11673	0.5
373.12759	0.5
383.14978	2.3
384.15271	0.5
386.13736	8.6
387.14001	0.7
401.16043	90.2
402.16397	13.0
402.21756	0.5
403.13748	0.9
403.17914	0.8
418.16556	2.0
419.17023	0.4
433.18893	13.1
434.19321	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03316	1.2
59.01250	55.3
60.01591	0.5
60.55397	0.3
63.02259	0.4
65.00185	0.7
66.16997	0.3
69.36349	0.6
69.36758	2.2
71.01252	3.1
73.02822	0.7
83.01264	1.1
83.13892	0.3
85.02839	0.8
89.02317	1.8
93.03301	0.4
95.01272	0.5
99.04400	0.7
101.02324	1.5
107.01286	1.2
108.02045	1.2
109.02857	0.9
111.93597	0.3
113.02312	1.0
119.03393	1.1
121.02881	0.5
125.02328	0.8
131.97121	0.3
135.00763	0.6
137.02368	0.4
148.01540	1.3
151.00273	5.8
153.01830	0.4
161.04486	0.9
163.00282	2.0
164.01036	0.5
178.99786	2.7
179.05524	0.8
183.04404	0.5
187.03880	0.4
191.05536	0.4
197.88100	0.3
198.03148	0.3
199.03859	1.0
211.03902	0.8
215.03456	0.5
216.04242	0.4
226.02658	1.4
227.03398	2.8
243.02948	9.1
244.03442	0.5
245.04494	0.8
254.02184	2.1
255.02977	22.1
256.03339	1.4
271.02478	49.3
272.02902	4.7
281.06946	0.5
283.02457	0.6
299.01947	1.4
300.02740	100.0
301.03415	24.4
302.03873	1.4
331.17551	1.5
391.23627	0.4
433.07739	56.9
433.24078	1.0
434.08087	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	433.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06870	0.6
57.18032	0.6
59.01250	100.0
60.01593	0.8
63.72403	0.7
67.01765	1.1
67.73341	0.8
69.03327	0.8
69.14867	0.7
69.36817	1.9
69.37232	3.8
71.01248	4.9
73.02827	2.3
79.87725	0.7
83.01250	2.1
85.02830	1.1
89.02325	2.2
95.01270	10.5
97.02843	0.8
98.20483	1.1
101.02334	4.2
106.01722	0.6
107.01368	0.6
109.02830	1.2
109.27116	0.7
111.00771	2.3
113.02351	1.7
119.03298	0.8
121.02857	0.8
123.00784	8.3
124.01582	3.3
125.02334	2.5
127.00267	1.7
136.98665	1.6
137.02348	1.5
138.03146	2.4
139.00273	10.6
139.03912	4.0
140.01060	1.2
145.02904	1.6
147.04370	0.7
149.02356	1.1
149.04433	0.9
151.00247	3.6
152.01003	0.9
153.01857	2.4
153.05484	1.9
154.02620	0.9
161.02347	1.1
161.04477	1.8
162.03186	1.5
163.03905	1.3
166.02621	2.6
167.03386	0.8
169.01376	0.7
171.10214	2.2
174.03110	1.1
175.03876	1.1
176.01083	0.8
177.01900	3.5
177.05551	3.1
178.02617	6.1
179.03284	1.2
181.05016	4.3
188.01163	0.8
189.01790	1.4
190.02679	1.2
191.03421	3.8
191.05251	0.7
192.04221	4.0
192.07803	0.9
193.04990	12.2
197.11842	1.0
203.03445	2.1
204.04225	2.2
205.04999	1.4
207.06613	5.0
218.05731	3.7
219.06438	1.2
221.04478	1.0
223.06033	1.1
223.17090	1.6
231.10139	1.1
271.05936	0.8
275.09283	1.2
283.19254	1.6
301.16660	1.4
301.20166	28.4
302.20599	1.7
331.17621	2.6
343.08224	4.6
355.08023	1.7
358.06592	0.8
358.10574	9.4
359.11356	1.2
370.10529	1.0
373.12991	42.1
373.22357	2.6
374.13330	4.4
385.08798	0.9
385.13364	3.2
391.23251	1.6
396.76141	0.7
403.10043	6.4
403.14560	15.8
404.14755	1.4
417.11768	0.9
418.12668	18.2
419.12878	0.9
424.66757	0.7
432.08438	0.8
433.15042	92.3
433.23483	3.8
434.15369	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	431.2288
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
55.01756	1.7
56.75592	0.6
57.03324	3.0
59.01255	19.7
63.76511	0.5
69.36057	4.2
70.67900	0.6
71.01255	24.5
71.04906	1.4
71.12651	0.5
72.99186	1.3
73.02826	6.7
75.00738	0.6
81.03345	3.4
83.01270	2.6
83.04898	2.4
84.77357	0.5
85.02823	8.4
87.00736	1.0
89.02322	8.7
95.01268	1.9
95.04900	1.0
97.02828	1.2
97.06477	2.4
98.03600	0.8
99.00770	3.0
99.04399	4.8
101.02332	15.5
109.06442	1.1
113.02332	8.6
115.07506	1.2
119.03395	3.8
121.06542	0.9
123.08036	3.9
125.02379	0.8
131.03410	0.9
135.08087	0.6
136.25215	0.5
137.09581	0.9
139.11189	5.3
143.03445	1.0
149.04393	0.9
149.09625	0.7
150.03107	1.2
151.11197	2.0
153.09126	1.1
155.10690	1.2
159.02866	1.4
161.02393	0.6
161.04469	13.8
162.03082	0.8
165.01886	0.7
165.05438	1.1
167.03444	0.8
167.10664	1.4
169.12259	2.5
177.05424	0.6
177.12746	2.0
178.16487	0.5
179.03490	1.1
179.05429	0.8
180.04166	0.8
187.35471	0.5
191.05534	0.8
195.06544	2.3
196.10924	1.5
203.14337	2.5
205.12267	1.5
205.15968	0.8
207.13867	1.6
207.17502	0.8
209.08113	0.6
217.12270	1.0
221.15448	2.3
223.16975	2.5
233.15433	6.7
236.14146	0.6
241.17992	2.1
251.16505	45.3
252.16847	3.6
269.17584	100.0
270.17899	7.5
357.97919	0.6
427.32047	0.6
431.15662	3.1
431.22873	11.3
432.16388	0.8
432.22937	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03321	2.4
58.00466	2.3
59.01251	100.0
60.01578	1.9
71.01252	43.8
72.99185	3.1
73.02438	1.2
73.02808	8.1
73.03137	0.7
75.00754	0.7
81.04491	0.7
83.01257	1.9
83.04886	0.8
85.02821	10.6
87.00750	2.4
89.02316	50.6
90.02694	0.6
93.03333	4.5
95.01272	3.4
98.19831	1.3
99.00787	1.7
101.02323	27.5
106.76434	0.5
111.04433	1.1
113.01544	1.2
113.02333	20.5
119.03387	24.3
125.02324	1.0
131.03435	3.0
133.02878	0.6
135.04495	1.2
137.02318	3.7
143.03391	5.3
149.04466	1.7
151.00281	0.8
155.03403	2.1
161.04440	7.6
173.04459	6.4
179.05539	15.0
187.07646	1.5
191.05513	3.0
191.98637	0.6
213.09070	3.0
215.07121	1.1
231.10141	3.0
255.15990	0.6
257.08163	5.3
269.09302	0.9
269.17572	12.3
275.09299	0.7
299.18628	1.6
371.20853	0.8
389.21530	1.0
431.09821	1.1
431.22855	29.8
432.23209	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	431.2436
Annotation	Rastevione
Peak:m/z	Relative Intensity
59.01254	5.7
71.01266	0.4
71.49899	0.5
78.95777	2.3
93.03358	0.5
98.95564	0.3
98.96175	0.3
99.58435	0.3
117.03358	17.8
118.03675	0.5
119.04923	25.5
120.05241	1.1
121.02881	1.6
123.04428	0.8
133.02861	1.4
134.03647	0.7
135.04472	1.6
137.02330	0.6
145.02864	100.0
146.02095	0.6
146.03194	4.8
152.99509	3.3
161.02328	1.7
163.03931	20.3
164.04251	1.1
179.03386	0.7
267.19690	1.6
285.20712	8.1
286.21039	0.7
413.23303	0.3
431.24347	28.8
432.24649	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46256	0.3
55.01752	0.9
57.03321	0.9
58.00468	1.8
59.01249	100.0
60.01588	1.5
71.01252	32.2
71.04888	0.4
71.50410	0.3
72.01595	0.6
72.99181	2.6
73.02815	4.3
83.01257	1.4
85.02818	6.9
87.00748	1.7
89.02316	35.5
90.02673	0.4
93.03289	0.4
95.01237	2.2
97.02827	0.5
99.00761	1.8
99.04379	0.4
101.02321	17.7
109.10166	0.3
113.02328	12.4
119.03388	15.5
123.04470	0.5
125.02348	1.0
131.03401	2.0
133.02919	0.4
137.05957	0.4
139.07542	0.6
139.49715	0.3
143.03391	3.4
149.04454	2.8
155.10658	0.8
159.02936	0.6
161.04474	5.9
161.09579	0.4
179.03894	0.8
179.05524	10.2
180.89020	0.4
181.06583	0.3
189.03888	0.4
189.09203	0.4
189.12794	0.3
191.05531	1.1
225.05583	0.7
227.16525	1.4
255.01295	0.3
269.10599	0.4
269.17542	4.3
270.18088	0.4
293.08746	0.6
299.14960	0.5
371.20813	0.6
389.21741	2.3
431.15723	1.4
431.22913	14.6
432.23190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03315	1.1
58.00485	1.0
59.01251	100.0
59.61849	0.4
60.01598	0.9
61.98732	0.4
69.03323	0.8
69.45863	3.1
71.01254	24.7
72.99194	1.7
73.02817	15.2
73.03201	0.7
75.00751	0.7
83.01260	4.4
85.02824	5.0
87.00766	1.2
89.02320	19.4
92.46953	0.5
93.03343	1.7
95.01283	1.4
98.19884	1.0
99.00768	0.9
101.02322	17.1
111.04471	0.5
111.08018	0.6
113.02332	12.4
113.03086	0.8
114.02686	0.7
119.03397	8.0
119.04959	0.5
125.02359	1.4
131.03429	1.7
143.03435	2.1
149.04543	2.1
153.09126	4.8
155.03421	0.5
161.02408	0.7
161.04482	5.4
173.04517	0.9
179.05550	3.8
187.07529	2.3
191.05624	0.6
209.15388	3.8
227.03568	0.9
227.07173	1.8
227.16451	0.6
257.08273	1.8
269.17685	1.3
285.04013	0.8
299.05923	0.5
299.18692	1.1
371.20871	2.7
387.10751	0.5
389.21909	2.1
431.10001	1.0
431.22672	8.7
432.23441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03309	0.8
58.00459	0.7
59.01249	100.0
60.01588	1.4
60.96487	0.3
69.03333	0.3
69.70547	2.0
71.01250	12.3
72.99191	0.9
73.02811	4.2
81.03349	0.4
81.04454	0.6
83.01260	1.9
85.02824	5.5
87.00768	1.2
89.02314	6.1
93.03352	1.4
95.01262	1.1
99.00734	1.7
99.65201	0.3
101.02319	10.2
102.02651	0.4
113.02331	5.4
119.03374	2.6
125.02396	0.7
128.39265	0.3
131.03412	0.4
137.02373	0.6
143.03426	1.1
151.68527	0.3
151.88750	0.3
153.93690	0.3
159.02921	1.2
161.02449	0.3
161.04462	7.5
162.04706	0.4
172.05240	0.9
173.04495	1.1
173.05983	0.5
179.05518	0.8
187.03969	0.4
187.07556	5.8
188.07938	0.3
191.05559	0.7
201.05495	0.5
202.06236	0.4
209.15427	0.7
213.09225	1.0
215.07222	0.9
219.13936	0.7
229.08752	0.6
231.06577	4.6
231.10120	1.6
242.29152	0.3
257.08273	1.4
269.17615	0.8
275.09415	1.1
299.18640	0.4
371.20728	12.9
372.21182	1.6
387.10892	2.4
389.21835	1.0
431.13531	1.0
431.22919	4.3
432.22845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
56.05903	0.6
56.45687	0.6
57.03318	2.3
57.19872	0.6
58.00461	3.1
59.01249	100.0
71.01252	49.6
71.54131	0.6
72.01632	0.9
72.34854	0.6
72.99177	3.7
72.99538	0.5
73.02815	2.9
83.01270	1.1
85.02821	9.1
87.00755	2.5
89.02316	61.0
90.02650	0.8
90.29178	0.6
93.03344	2.8
95.01271	3.1
98.19789	1.3
101.02316	27.4
105.82442	0.6
107.03371	0.6
113.02325	18.6
114.02650	0.9
119.03385	25.9
125.02334	0.9
131.03418	3.6
135.04463	0.7
137.02330	2.6
143.03400	5.5
149.04448	6.7
161.02382	0.6
161.04462	6.2
173.04396	1.4
177.12781	0.8
179.05521	21.2
180.05890	0.8
187.36766	0.6
191.05559	3.6
221.30246	0.7
231.10156	0.8
257.08139	1.4
269.17648	3.3
281.09262	1.7
285.25632	0.6
371.20737	0.8
389.21262	1.1
431.13788	1.1
431.22815	25.5
432.23145	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03321	0.9
58.00472	0.8
59.01251	100.0
60.01592	1.3
69.03325	0.3
70.79403	0.7
71.00854	0.6
71.01252	12.1
71.04903	0.3
72.98793	0.3
72.99184	0.8
73.02828	2.4
75.00736	0.4
80.02562	0.2
83.01270	0.9
85.02824	3.8
85.58892	0.3
87.00759	0.9
89.02318	8.4
89.02840	0.6
92.16981	0.3
93.03353	1.1
95.01292	1.2
95.04899	1.6
98.03644	0.6
99.00784	0.8
99.04452	0.4
101.02326	7.1
107.04941	0.6
111.04426	0.4
113.02334	4.6
113.05992	1.0
118.92744	0.3
119.03402	3.3
125.02363	0.3
125.05993	0.3
131.03432	0.4
143.03418	0.8
148.64566	0.3
149.04503	0.4
155.10721	0.8
159.02913	0.7
161.04449	3.3
161.05420	0.3
167.14279	0.4
173.04422	0.6
177.12804	1.5
179.05551	2.0
187.07605	1.3
191.05629	0.8
195.13831	10.1
196.14282	0.7
213.09337	0.4
215.07141	0.4
227.16571	2.0
231.06744	0.4
231.10313	1.0
251.16626	0.4
257.08316	0.7
269.17584	8.2
270.18042	0.7
275.09079	0.4
286.84485	0.3
299.18698	0.3
341.65216	0.3
371.20911	0.9
389.21777	2.3
390.22168	0.3
431.13684	0.6
431.22980	8.1
432.23492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
62.96274	0.3
70.98956	0.4
77.97443	0.2
78.95779	53.1
93.47784	0.2
96.96847	6.9
150.97934	1.6
152.99496	100.0
153.99846	1.5
154.00963	0.3
171.00549	3.9
186.12540	0.2
264.93610	0.2
277.21704	0.6
431.22040	4.6
432.22324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
62.96270	0.3
66.12061	0.2
70.36001	0.5
78.95776	52.0
96.96841	6.8
108.84808	0.2
141.82220	0.2
150.97932	1.8
152.99496	100.0
153.99812	2.0
164.40923	0.2
170.99074	0.3
171.00555	4.6
208.88655	0.2
277.21854	0.6
309.03314	0.2
347.36539	0.2
431.22006	4.9
432.22571	0.7
447.07004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03358	0.4
55.01749	0.7
57.03320	1.6
58.00471	1.3
59.01251	100.0
60.01597	1.4
61.01680	0.5
71.01257	34.4
72.01599	0.6
72.99172	2.4
73.02819	7.8
74.16229	0.4
75.00768	0.5
77.57896	0.4
81.03314	0.7
83.01265	2.4
85.02822	7.4
87.00735	2.4
88.67046	0.4
89.02316	30.2
90.98460	0.6
93.03334	1.0
95.01260	2.0
95.14426	0.4
97.02856	0.7
98.20583	1.1
99.00772	1.0
99.04416	1.3
101.02326	18.9
102.02662	1.0
112.69800	0.4
113.02332	14.2
117.03363	0.5
119.03395	14.1
125.02335	1.0
125.21228	0.4
131.03429	1.8
131.76202	0.4
135.04396	0.7
143.03403	2.9
147.11777	0.4
149.04497	1.6
159.02927	0.8
161.02371	0.7
161.04474	8.2
179.03397	0.4
179.04024	0.6
179.05565	6.7
179.07045	0.8
191.05621	1.0
213.09167	0.4
227.16498	0.9
251.16766	0.5
257.08212	0.7
269.17615	1.5
283.06274	1.8
299.15213	0.8
311.05524	3.0
331.78094	0.4
341.06641	1.2
341.19858	1.4
342.07092	0.6
347.51193	0.4
371.20853	3.0
389.21756	9.9
390.22198	1.2
431.09839	2.3
431.22971	9.5
432.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71591	0.3
57.41296	0.3
59.01248	2.8
62.96253	0.3
71.01248	0.4
71.41363	0.5
73.76917	0.2
78.95775	71.8
88.63754	0.3
89.02328	0.4
96.95914	0.3
96.96838	5.8
101.02277	0.2
126.50680	0.3
130.39252	0.3
144.22804	0.3
150.39102	0.3
150.97960	1.6
152.99487	100.0
153.99835	1.5
160.67198	0.3
160.94728	0.3
171.00552	2.8
174.49484	0.3
222.84929	0.2
277.21741	1.0
295.76239	0.3
341.27759	0.3
431.22021	9.1
432.22305	1.4
455.55237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22989	1.3
59.01250	100.0
60.01585	1.9
61.98708	3.9
69.38312	8.4
69.38740	4.6
71.01256	14.7
83.01273	1.9
85.02821	3.4
87.00732	4.4
89.02319	7.9
95.01259	2.8
98.19839	3.3
99.00797	1.9
101.02309	7.1
113.02319	6.3
119.03303	3.3
161.02348	1.8
161.04465	5.2
179.03387	4.1
191.05498	1.7
194.05763	4.8
195.06509	2.4
209.08195	14.8
211.35081	1.5
247.67204	1.7
253.88969	1.7
340.75073	1.6
355.31888	1.7
376.25092	1.8
431.15405	6.0
431.22772	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	431.156
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01743	1.2
58.00465	1.4
59.01250	100.0
69.03291	1.0
71.01255	22.6
71.48998	1.2
72.99187	2.5
73.02811	13.1
83.01267	5.0
85.02818	4.0
87.00739	1.6
89.02316	16.8
93.03291	1.5
95.01268	1.2
99.00773	1.9
101.02317	21.4
113.02338	7.3
114.71827	1.0
119.03381	8.6
123.04386	1.8
125.02306	1.4
128.90979	1.1
131.03468	1.3
132.03780	1.1
134.03612	3.9
139.07578	1.2
143.03447	1.3
143.04517	1.3
149.04497	2.0
149.05960	5.0
153.05286	1.1
161.04456	8.9
165.79892	1.1
167.03412	4.4
179.05513	3.6
184.05991	1.1
191.05492	2.3
196.16275	1.3
269.10324	2.5
269.17520	3.3
286.26245	1.1
306.07559	1.5
329.12491	9.1
389.21884	5.7
426.62128	1.2
431.15619	2.5
431.23019	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72274	0.2
55.01753	0.6
57.03316	1.5
58.00464	1.0
58.11531	0.2
59.01249	34.1
60.01592	0.4
60.99186	0.4
61.98711	0.5
67.01759	1.4
69.03333	0.7
69.90194	0.5
69.90595	1.0
71.01254	17.0
72.01588	0.3
72.99177	1.3
73.02818	3.3
81.03352	1.1
83.01260	1.2
83.04916	0.6
85.02821	15.8
86.03167	0.3
87.00748	4.6
89.02312	14.5
93.00703	0.2
93.03334	10.3
95.00676	0.3
95.01224	1.2
99.00766	1.0
99.04380	0.6
101.02320	9.5
102.02680	0.4
109.02834	1.0
111.04410	2.1
113.02322	7.3
114.02686	0.2
117.10977	0.2
119.03386	7.2
122.78948	0.3
123.08087	0.3
125.02305	0.5
127.03876	2.7
129.01796	0.4
131.03424	0.5
137.02344	0.4
143.03401	1.9
147.11714	0.3
149.04445	1.0
155.03456	0.6
159.02916	0.7
161.02429	0.3
161.04468	5.9
162.04781	0.3
164.39955	0.3
164.55896	0.3
171.02873	0.7
173.04459	6.5
177.12785	0.4
179.05537	3.8
183.04462	0.3
191.05536	100.0
192.05891	4.1
193.63521	0.3
195.13861	0.8
197.05951	0.5
205.31725	0.2
207.13794	0.4
211.01926	0.2
213.09151	7.3
214.09441	0.5
215.07054	0.5
227.07143	0.4
231.10240	0.7
233.15331	0.3
235.08203	2.6
257.08167	29.4
258.08490	2.2
269.17535	2.0
300.70514	0.3
320.10999	0.3
329.11267	0.4
365.09335	0.3
371.20541	0.5
389.21814	3.5
393.44724	0.3
413.21854	0.8
431.13504	20.2
431.22662	8.4
432.13867	2.6
432.22800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72274	0.2
55.01753	0.6
57.03316	1.5
58.00464	1.0
58.11531	0.2
59.01249	34.1
60.01592	0.4
60.99186	0.4
61.98711	0.5
67.01759	1.4
69.03333	0.7
69.90194	0.5
69.90595	1.0
71.01254	17.0
72.01588	0.3
72.99177	1.3
73.02818	3.3
81.03352	1.1
83.01260	1.2
83.04916	0.6
85.02821	15.8
86.03167	0.3
87.00748	4.6
89.02312	14.5
93.00703	0.2
93.03334	10.3
95.00676	0.3
95.01224	1.2
99.00766	1.0
99.04380	0.6
101.02320	9.5
102.02680	0.4
109.02834	1.0
111.04410	2.1
113.02322	7.3
114.02686	0.2
117.10977	0.2
119.03386	7.2
122.78948	0.3
123.08087	0.3
125.02305	0.5
127.03876	2.7
129.01796	0.4
131.03424	0.5
137.02344	0.4
143.03401	1.9
147.11714	0.3
149.04445	1.0
155.03456	0.6
159.02916	0.7
161.02429	0.3
161.04468	5.9
162.04781	0.3
164.39955	0.3
164.55896	0.3
171.02873	0.7
173.04459	6.5
177.12785	0.4
179.05537	3.8
183.04462	0.3
191.05536	100.0
192.05891	4.1
193.63521	0.3
195.13861	0.8
197.05951	0.5
205.31725	0.2
207.13794	0.4
211.01926	0.2
213.09151	7.3
214.09441	0.5
215.07054	0.5
227.07143	0.4
231.10240	0.7
233.15331	0.3
235.08203	2.6
257.08167	29.4
258.08490	2.2
269.17535	2.0
300.70514	0.3
320.10999	0.3
329.11267	0.4
365.09335	0.3
371.20541	0.5
389.21814	3.5
393.44724	0.3
413.21854	0.8
431.13504	20.2
431.22662	8.4
432.13867	2.6
432.22800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03323	0.9
58.00473	1.2
59.01250	100.0
60.01582	1.1
69.03334	0.9
70.78132	0.5
70.78519	1.0
71.01253	31.1
71.04919	0.4
72.01605	0.6
72.99183	3.4
73.02820	19.1
75.00747	1.0
82.34640	0.4
83.01256	6.0
85.02820	7.9
87.00758	3.0
89.01776	0.6
89.02319	11.5
89.02847	0.7
90.98493	1.0
93.03368	0.8
95.01260	2.3
97.02819	0.8
99.00783	1.7
99.04409	0.8
101.02321	23.1
102.02651	0.5
111.00760	0.5
113.02328	14.2
114.02699	0.6
119.03386	5.6
125.02348	1.4
129.01866	0.5
130.08672	0.9
131.03421	1.5
135.04437	1.2
143.03392	2.0
149.04472	2.6
151.07602	0.7
152.08330	3.9
153.09151	1.0
161.04460	5.3
163.11229	0.5
179.05563	1.0
185.19717	0.4
190.00861	0.8
191.05530	1.9
205.03267	0.5
207.13942	0.5
211.07687	0.5
225.14909	3.3
255.06721	0.9
267.16177	0.7
369.19128	10.7
370.19601	1.5
387.20215	26.1
388.20560	2.8
394.20215	0.6
429.13580	2.1
429.21182	3.4
430.21780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07716	0.4
55.01759	0.9
57.03331	2.3
59.01249	100.0
60.01585	1.9
64.34792	0.4
69.03333	1.0
69.25282	2.1
69.25707	2.6
71.01253	16.6
72.99195	1.2
73.02818	5.7
83.01274	2.0
85.02822	5.4
87.00758	1.8
89.02317	14.2
93.03359	1.4
97.02850	0.9
99.00778	1.4
99.04385	0.9
99.17482	0.4
100.04741	0.5
101.02321	13.0
113.02333	7.3
115.03894	2.1
119.03395	6.0
121.06476	0.8
123.04417	0.7
125.02340	1.2
127.97131	0.5
131.03407	1.4
135.04424	0.7
137.09616	2.4
143.03397	1.7
149.04463	2.3
159.02968	0.7
161.02426	0.6
161.04468	5.1
163.11168	0.6
165.12741	0.4
173.04530	0.9
178.28612	0.5
179.03375	0.5
179.05544	2.7
181.12312	2.0
189.12801	0.6
191.05566	2.7
195.14284	0.5
207.10275	1.1
207.13911	0.5
211.07535	0.6
223.13412	2.9
224.13771	0.6
225.11298	1.3
225.14897	0.9
255.06671	0.7
267.12482	2.4
267.15765	0.8
279.12503	0.6
279.15952	1.2
285.04626	0.5
297.13519	4.4
297.16977	1.3
369.19321	1.2
387.20135	3.2
429.11893	0.9
429.17639	2.7
429.21716	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03323	1.2
58.00476	0.5
59.01249	100.0
60.01588	0.6
63.11869	0.3
69.03335	0.7
69.88855	1.9
70.76351	0.3
71.01254	25.2
72.01558	0.6
72.99189	1.5
73.02821	8.8
75.00748	0.7
78.95786	0.9
81.03323	0.4
83.01256	3.6
83.04913	0.5
85.02825	10.3
85.06482	0.4
87.00752	2.0
89.02319	9.2
89.02853	0.7
90.02685	0.4
90.98475	1.0
93.03316	0.4
95.01266	2.0
95.04901	0.3
97.02832	0.8
99.00751	2.6
101.02326	16.7
105.56824	0.3
107.04924	0.9
107.26563	0.3
109.02881	0.3
110.42281	0.3
113.02336	10.6
114.02684	0.3
115.03898	0.4
119.03412	4.0
119.08580	0.8
121.02853	0.7
121.06525	0.6
125.02359	1.3
131.03389	0.6
135.04469	0.4
137.09662	1.1
143.03419	1.5
145.06497	1.3
147.11678	0.5
149.04472	1.0
149.09605	0.6
152.99545	1.0
159.02917	1.0
159.07991	0.5
161.04475	13.4
161.09683	0.5
162.04762	0.4
162.06888	0.4
163.11191	9.8
163.12500	0.5
164.11526	0.8
171.11739	0.5
173.04475	0.6
173.09666	0.6
174.10402	1.0
179.05569	1.8
181.12392	0.4
187.11252	0.8
189.12779	10.5
190.13142	0.7
191.05602	1.7
195.13860	0.4
203.05634	0.9
207.13850	32.8
208.14188	2.3
223.13332	2.2
225.14960	0.4
249.14891	0.4
249.43837	0.4
250.15224	0.4
255.06779	0.4
265.00659	0.3
267.12488	2.1
267.16080	0.6
291.16104	0.4
297.13522	0.7
297.17184	0.4
343.17545	3.7
369.19101	2.6
387.20230	10.9
388.20770	0.9
403.36829	0.4
429.21732	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	429.213
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01762	2.7
57.03324	3.2
58.00467	1.1
59.01250	100.0
60.01595	1.2
61.98689	0.6
65.00177	0.6
69.99078	2.4
71.01251	29.2
72.99194	1.4
73.02818	10.0
76.98096	0.5
80.00424	0.6
82.64063	0.5
83.01263	6.3
85.02823	15.8
87.00752	3.4
89.02312	3.9
93.03324	1.0
95.01263	2.6
97.02825	1.4
99.00744	4.9
101.02320	23.4
102.98545	0.6
106.64419	0.5
111.00747	0.5
113.02330	13.6
119.03352	1.1
125.02307	1.3
129.01805	0.7
131.15375	0.6
135.04424	0.7
143.03409	1.9
151.00264	1.1
159.02925	2.3
161.02350	0.7
161.04459	10.0
163.11134	0.6
173.04445	1.0
178.99904	0.8
191.05528	1.8
205.12303	2.6
206.12665	1.7
207.12903	1.5
297.17157	0.8
343.21243	26.5
344.21494	2.5
356.53949	0.6
387.19983	1.4
429.11893	1.2
429.21265	26.8
430.21838	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
70.23345	0.4
70.23741	0.3
71.01257	0.3
72.27335	0.1
86.23454	0.2
99.92458	4.9
100.92567	0.3
100.93237	2.7
115.91962	100.0
116.91968	6.0
116.92747	5.9
117.92746	0.2
124.18597	0.2
132.92238	1.0
142.94337	0.3
145.02835	0.2
155.95119	0.2
172.95396	5.9
173.95451	0.4
237.30183	0.2
249.94995	0.1
255.23268	0.7
290.64392	0.1
355.15726	0.8
356.16531	0.2
381.17355	1.0
382.17947	0.2
391.87912	0.2
429.19461	3.8
430.19553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03325	2.0
58.00465	0.8
59.01249	100.0
60.01589	1.1
61.42350	0.3
61.47738	0.3
68.70342	0.3
69.03322	0.5
70.10079	0.3
70.27437	0.3
70.89769	0.5
71.01252	24.5
72.01602	0.4
72.99197	1.1
73.02818	7.6
75.00756	0.9
77.82082	0.3
78.52772	0.2
78.95763	0.4
79.01746	0.3
81.03354	0.5
83.01257	3.8
85.02820	9.3
86.03152	0.3
87.00761	2.3
89.02312	8.1
90.98488	0.5
93.03358	0.9
93.13599	0.3
95.01268	1.7
97.02823	0.6
97.06474	0.5
99.00766	2.4
99.04431	0.4
101.02322	15.5
103.03942	0.4
107.04941	1.0
109.06484	0.4
111.04322	0.4
113.02329	8.4
113.03078	0.5
117.01797	0.4
119.03385	3.2
119.08566	0.8
120.05693	0.4
121.06492	0.7
121.10110	0.4
125.02380	1.1
129.01816	0.4
131.03407	0.8
135.04460	1.1
137.09625	1.3
143.03426	1.4
145.06488	0.8
147.11745	0.3
149.04434	0.8
149.09645	0.6
152.99547	0.9
159.02875	1.6
159.08113	0.8
161.02444	0.6
161.04474	11.1
161.05835	0.6
161.09634	1.7
161.13322	0.6
162.04875	0.4
162.06740	0.5
163.11197	8.3
165.09219	0.4
173.04469	0.8
173.09666	0.7
174.10451	0.5
177.09180	0.3
179.03482	0.5
179.05580	1.2
181.12399	0.6
187.11287	1.7
189.09164	0.9
189.12784	8.9
190.13139	0.6
191.05563	2.9
191.10681	0.4
192.05899	0.3
203.05573	0.5
205.03555	0.5
205.12335	0.6
207.10614	0.7
207.13852	24.9
208.14195	1.6
211.07703	0.3
223.13351	5.5
225.14995	0.8
249.11362	0.5
255.06769	0.5
267.12399	5.9
267.16006	0.9
268.12769	0.6
280.91058	0.3
288.37701	0.3
297.13535	1.6
297.16562	0.4
343.17566	3.0
369.19229	2.5
370.19873	0.3
375.40353	0.3
387.20270	8.6
388.20789	1.0
411.16687	0.3
429.12082	0.4
429.17371	1.3
429.21530	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	429.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.8
59.01250	25.6
61.98700	11.7
63.02263	1.4
65.00206	13.7
71.01241	4.1
71.50777	1.4
81.03325	1.2
83.01244	2.9
83.04896	1.7
85.02817	1.6
87.00741	1.8
89.00208	1.9
89.02322	3.1
90.98444	1.3
91.01747	1.6
93.03338	3.2
95.01264	1.6
97.02808	8.4
97.06467	5.3
107.01266	5.6
108.02100	2.2
109.02859	8.0
111.04420	1.4
113.02320	1.6
116.20045	1.2
121.02834	5.1
124.01546	11.1
125.02336	18.3
133.02817	1.3
135.04398	3.2
137.02419	1.9
138.03119	2.2
139.03917	11.3
145.02837	1.2
149.04541	1.3
149.99474	2.2
151.00276	18.1
152.01041	6.1
159.04303	2.0
161.02403	2.0
161.05998	5.7
163.00229	1.4
163.07518	4.1
165.01837	48.8
166.02571	6.0
167.03416	12.9
169.01228	1.5
170.54080	1.3
172.05188	1.8
173.04515	2.2
173.05960	2.3
175.07591	3.4
178.99792	4.1
179.03337	1.7
183.02950	16.2
183.04385	2.3
187.03900	2.7
187.07526	1.6
189.05476	8.6
191.05533	8.1
192.05771	1.2
196.05182	1.7
199.03888	3.0
199.07538	2.2
200.04712	1.4
201.05321	2.0
201.09016	2.1
209.05974	1.4
211.02309	2.2
211.07510	2.6
213.98950	1.1
215.07089	2.5
216.04094	1.6
217.08650	2.9
219.10188	6.1
225.05521	4.5
226.02588	1.5
226.06255	2.7
227.03374	4.2
227.07082	3.3
228.04131	1.8
229.08612	1.8
233.04459	2.0
242.02121	2.3
243.03004	9.6
243.06519	2.9
245.08076	6.9
249.05505	1.3
249.09099	1.2
253.05063	5.3
255.02969	22.1
255.06639	2.4
256.03342	2.2
259.06198	1.4
262.08423	5.3
263.09152	5.0
265.05084	1.5
267.06497	1.4
269.08179	2.9
271.02451	56.1
271.06033	19.5
272.02924	5.0
287.05597	3.1
288.06546	8.2
299.02005	20.5
300.02737	100.0
301.03217	8.7
311.09241	2.2
314.04260	24.5
315.04611	3.0
367.11694	1.3
379.08130	14.5
380.08548	2.5
385.12973	2.9
388.18640	1.4
411.10709	2.5
429.11655	18.2
430.11963	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.1
59.01249	100.0
59.51998	1.5
61.98692	1.8
69.03305	2.3
69.33796	2.4
69.34194	10.9
71.01254	32.7
72.99173	2.7
73.02816	22.8
75.00764	1.7
78.69360	1.3
80.83783	1.4
83.01247	5.9
85.02828	9.3
87.00745	2.8
87.29626	1.3
89.02319	23.7
90.50208	1.3
93.03318	2.6
93.13734	1.6
95.01241	1.3
97.02777	1.7
99.00750	2.5
99.04408	1.6
101.02326	29.4
113.02306	15.1
119.03380	15.0
120.05682	1.8
120.99508	7.1
125.02328	1.6
131.03398	2.3
133.02846	2.7
133.06497	11.6
134.03630	29.7
135.04501	9.1
135.08041	5.1
135.11688	1.8
137.02333	1.7
143.03401	3.3
147.08078	3.0
149.02345	3.8
149.04456	3.5
150.03108	2.8
153.09071	6.1
159.14751	1.5
161.04457	7.5
163.11185	9.8
165.09094	1.8
175.07552	10.1
177.01981	1.6
178.02440	1.7
179.03268	3.1
179.05519	5.2
179.10675	5.7
187.11171	3.5
189.09174	8.7
190.09940	4.8
191.05547	2.4
203.10703	3.6
205.12289	98.8
206.12611	6.4
223.13091	2.3
294.10565	2.2
295.10843	3.2
314.10022	1.7
315.10745	7.9
315.14160	3.0
367.17682	1.7
383.17010	4.7
385.18787	3.7
427.15497	13.7
427.21030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.0
70.63186	1.6
74.39207	0.7
84.87935	0.7
86.06202	0.7
108.82909	0.7
113.09637	0.8
289.58929	0.7
293.21243	6.9
323.04028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14697	0.3
56.90561	0.4
57.03313	1.6
59.01254	9.6
59.68143	0.3
61.98708	14.9
63.02281	0.5
64.90365	0.4
65.00204	2.3
71.01257	1.0
73.02827	0.6
81.03360	0.4
81.04442	0.8
83.01238	0.8
83.04892	0.6
85.02824	1.2
87.00746	0.6
89.00224	0.6
89.02327	0.8
89.32874	0.4
93.03330	0.8
95.02369	0.4
97.02829	1.1
97.06479	1.0
98.19741	0.6
101.02283	0.5
107.01269	1.3
108.02086	1.3
109.02840	1.3
109.54972	0.4
121.02866	1.0
124.01551	2.8
125.02348	4.1
126.02674	0.4
130.71214	0.4
133.02832	0.4
135.00801	0.5
135.04395	0.8
139.03952	1.8
148.01591	1.8
151.00241	3.8
152.01042	1.1
153.01897	0.8
153.03099	0.4
161.05910	0.5
163.00339	0.8
164.01176	0.6
165.01875	7.0
166.02486	0.6
167.03445	2.5
173.04526	0.7
173.05928	0.6
178.99780	1.2
179.03374	0.4
183.02953	2.0
187.03984	0.5
187.07617	0.7
188.04346	0.4
189.05391	0.5
189.09108	0.5
191.05516	2.5
193.01234	0.8
197.06000	0.5
199.03937	1.0
201.09076	0.5
211.04024	0.6
211.07492	0.7
215.03445	1.0
215.07089	0.5
217.08740	0.6
219.10226	0.5
225.05540	0.5
226.02663	1.4
226.06291	0.6
227.03416	2.2
227.06985	0.5
228.04037	0.6
229.08708	0.4
240.07846	0.5
241.08627	1.1
243.02989	9.5
243.06595	2.6
244.03580	0.8
245.08119	1.0
254.02278	1.9
255.02974	21.6
256.03369	1.4
263.09137	0.6
265.08707	1.0
271.02496	44.8
272.02914	5.0
283.09698	0.7
288.06351	0.9
299.02008	2.9
300.02753	100.0
301.03168	9.7
314.04355	1.3
351.08783	3.5
352.08911	0.5
379.04047	0.5
411.10983	0.8
429.11850	9.9
429.17325	0.8
430.12054	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58495	1.7
57.03322	100.0
59.01247	93.4
69.35263	3.3
69.35663	12.1
70.80920	1.7
71.01246	14.0
73.02814	5.1
81.03349	2.5
83.01234	1.8
85.02818	6.9
85.23067	1.9
89.02325	5.5
99.04397	81.4
100.04688	4.2
101.02312	26.3
102.98482	3.6
103.10831	1.7
103.62491	2.0
113.02343	5.4
119.03403	1.8
125.02340	31.7
143.03459	2.2
161.04439	4.9
179.10722	2.2
191.62625	1.8
205.12231	1.7
283.11813	12.8
284.12253	2.4
313.49390	2.4
414.51038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75610	1.4
57.03323	100.0
58.03647	2.6
59.01250	90.2
61.71284	1.5
69.55717	10.6
69.82072	1.6
71.01261	13.1
73.02811	4.9
75.74586	1.5
81.03316	2.5
85.02835	4.8
89.02325	13.0
99.04395	83.3
100.04762	1.7
101.02322	20.2
113.02325	11.3
117.21317	1.4
119.03351	4.3
120.01101	3.6
123.04475	2.4
125.02334	35.0
134.03633	1.8
135.99591	1.4
143.03418	2.2
147.04396	5.9
149.04449	2.5
161.04454	3.3
179.05470	2.3
258.60297	1.5
289.97879	1.7
327.45837	1.6
368.95023	1.4
410.42047	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	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.3
61.98682	17.4
64.90997	8.4
69.34000	69.3
71.01244	57.0
73.02794	20.4
83.01287	11.2
85.02814	27.1
88.98657	19.4
89.02306	18.4
93.03326	13.5
101.02322	48.8
113.02330	17.1
119.04902	31.5
135.04391	17.5
149.02271	15.0
163.03897	43.5
209.02690	47.5
219.13075	8.3
220.03809	9.7
231.45895	8.3
235.06255	9.3
235.11804	49.3
265.07281	42.7
266.07211	9.4
295.08200	17.8
295.43967	8.0
367.16043	100.0
427.06961	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	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00419	0.6
56.89026	0.5
59.01248	100.0
60.01586	1.5
61.98702	0.8
71.01270	2.2
77.52571	0.6
78.95747	0.6
98.20559	1.9
103.48679	0.6
115.00293	0.9
115.95814	0.5
120.81027	0.5
139.13225	0.6
161.46501	0.5
194.73813	0.6
230.99310	0.6
247.20824	0.6
249.11336	0.6
280.96933	0.5
286.47818	0.6
291.19586	4.6
309.20718	5.7
310.21033	0.5
347.46823	0.6
396.09116	0.8
411.11298	0.7
429.95316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95172	0.5
54.20890	0.5
57.35955	0.6
58.22100	0.5
59.01251	20.4
63.26823	0.5
64.52361	0.5
68.95739	0.6
71.01250	0.6
71.30528	0.9
71.30836	0.6
73.02825	0.9
89.02306	0.6
97.06509	0.5
101.02306	0.9
106.13200	0.5
120.01138	100.0
121.01525	1.3
122.33569	0.5
133.02890	1.0
134.03658	5.5
135.04062	2.7
136.04741	1.1
141.17284	0.5
175.18314	0.6
177.01817	2.3
178.02594	3.7
179.03059	2.8
179.10735	2.5
180.03627	0.6
189.62248	0.5
223.09685	0.6
232.10439	0.6
249.02330	0.5
268.09760	0.5
275.09351	0.9
276.09619	2.4
293.10440	1.5
294.10703	4.8
344.80576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.9
70.12599	0.5
70.13001	0.4
102.98460	0.4
120.99538	100.0
121.99851	1.6
135.04471	0.2
137.02313	0.4
178.02690	0.2
191.05472	0.2
293.26154	0.2
427.14395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
58.14094	0.8
59.01250	100.0
60.01580	0.9
69.39212	6.4
71.01247	11.2
73.02838	1.5
75.00753	1.6
85.02837	2.7
87.00755	1.2
89.02321	3.1
93.03346	0.8
97.06464	4.6
99.00772	1.2
101.02345	3.0
111.08043	3.2
113.02350	2.2
115.07545	1.8
130.86482	0.8
143.07053	0.9
149.04501	1.5
159.06546	8.7
161.04517	1.1
165.05470	0.8
169.08665	2.7
173.08060	4.2
187.09697	2.6
191.05582	2.2
261.13278	0.9
279.77484	0.8
291.10968	2.8
291.14398	1.0
313.12918	6.3
314.13303	1.4
331.13907	5.8
423.14331	1.3
423.19327	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	425.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01002	8.0
59.01249	100.0
59.61151	9.3
71.01249	44.3
72.99143	9.8
73.02808	23.4
75.00744	12.3
78.02334	6.6
81.90733	7.7
83.01262	13.5
85.02815	17.9
86.61127	8.4
87.00751	9.8
89.02302	19.4
93.03323	12.6
100.00277	10.8
101.02316	34.4
113.02338	21.1
144.02892	11.4
149.04468	10.6
161.02271	9.4
161.04512	8.8
174.03108	10.6
189.05530	13.8
191.05513	22.2
245.08118	24.8
293.16092	23.8
391.84827	9.0
425.14667	14.7
425.20041	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	423.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.83442	0.9
60.01580	1.2
66.28606	1.0
69.36948	2.1
69.37360	6.5
71.01257	14.1
73.02814	2.7
75.00748	3.3
76.28938	1.1
83.62116	0.9
85.02831	2.4
87.00721	1.3
89.02326	3.7
93.03366	1.2
97.06468	3.9
98.61131	1.1
101.02326	4.6
109.02797	1.1
111.08044	2.7
113.02317	1.3
119.03394	1.8
135.81883	0.9
145.02805	0.9
148.51122	1.0
149.04472	1.9
159.06543	5.8
169.08575	1.4
173.08131	3.4
187.09708	1.5
191.05513	1.3
291.10870	2.4
291.14307	2.0
313.12936	8.7
331.14044	5.8
345.02396	1.1
423.14337	1.6
423.19232	2.4
444.27985	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	422.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04812	1.1
57.03312	1.2
58.02851	1.3
59.01249	100.0
61.98680	1.1
69.87138	5.0
75.05714	0.8
97.06477	1.1
117.94701	0.9
135.04416	3.1
177.71698	1.0
179.03545	1.3
191.05452	1.0
205.94412	1.0
272.13016	0.9
302.13910	4.6
331.49716	1.2
362.15918	1.9
426.56308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1662
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
56.57346	0.7
57.03322	32.3
59.01249	37.9
65.33307	0.6
69.38992	5.4
83.04883	1.1
94.04131	0.7
95.04904	1.8
97.02831	5.0
97.06477	0.8
99.04392	18.1
101.02317	4.8
105.72269	0.7
107.04890	1.2
109.02840	2.5
109.06482	3.7
111.04380	3.0
119.08521	0.8
121.06489	2.1
122.03610	6.3
123.04424	1.1
124.05186	13.8
125.02322	2.1
125.05956	2.9
133.06467	6.1
135.04468	1.1
135.08055	0.8
137.05968	9.4
139.07545	100.0
140.07866	4.6
147.08101	1.5
149.06013	1.3
150.06766	0.9
157.17049	0.7
161.04474	9.2
161.05879	0.9
168.07846	18.7
169.08612	11.5
170.08858	0.9
171.08083	0.9
177.12717	1.1
178.02463	0.7
181.08585	3.8
185.09818	0.7
187.11186	11.8
189.09117	0.9
190.09967	2.6
205.12277	20.1
206.12630	1.8
210.08955	1.6
211.09668	2.9
214.17212	0.6
217.12294	2.8
221.11818	1.1
231.10263	0.9
235.13326	5.3
249.11267	6.8
261.11295	1.4
275.09314	1.5
279.12366	59.4
280.12711	5.2
321.13364	2.1
423.16397	4.3
447.63275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58751	0.3
57.12626	0.2
59.01250	0.8
61.98709	0.4
63.84622	0.2
67.01754	0.6
67.09206	0.2
70.89150	0.7
71.01247	0.3
85.02802	0.2
123.04409	6.6
124.04779	0.3
136.01599	0.3
151.03915	18.8
152.04291	0.8
164.01030	0.4
165.05473	1.4
179.03413	100.0
180.03755	5.4
181.05083	2.9
193.05080	0.6
194.05772	70.7
195.06129	4.2
196.07413	2.4
197.07683	0.4
209.08127	73.2
210.08464	4.9
211.09792	2.7
223.15198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62230	0.4
56.23514	0.4
59.46744	0.4
78.95773	25.4
79.52033	0.4
106.38899	0.5
110.98413	44.4
152.99474	3.4
167.01054	1.3
176.15649	0.4
185.02127	100.0
186.02466	2.6
197.02802	0.4
253.21703	27.9
254.21976	2.3
292.37180	0.4
421.23642	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24157	14.2
59.01247	88.3
71.50267	26.2
71.76740	13.5
96.95922	18.2
106.77035	15.1
120.84036	16.0
121.02831	100.0
122.03193	39.6
172.95799	16.1
179.03383	53.8
194.05836	36.2
209.08116	25.0
252.70119	15.3
353.87625	17.1
358.60199	16.2
377.89215	16.2
421.27579	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
67.01355	0.2
69.16563	2.2
69.16985	0.7
69.59326	0.2
70.21377	0.3
107.04926	0.4
123.04414	5.5
151.03914	17.3
152.04300	1.0
153.05484	0.5
164.01051	0.7
165.05476	1.8
178.02637	0.3
179.03410	100.0
180.03740	5.2
181.04964	5.3
182.05231	0.4
191.05609	0.5
193.04996	0.8
194.05772	84.5
195.06096	4.8
196.07332	3.6
209.08125	87.6
210.08463	6.0
211.09689	3.6
212.10149	0.3
240.19785	0.2
248.87784	0.3
413.20801	0.3
421.27692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31672	0.8
57.03320	3.4
58.02846	1.8
59.01251	21.2
61.98710	0.9
69.43064	5.1
69.43484	1.5
70.02856	8.0
71.01266	7.8
71.04896	11.0
73.02810	2.8
85.02822	3.1
87.00769	1.3
87.05515	4.6
89.02319	4.1
97.06461	1.0
99.04382	5.2
101.02324	7.0
113.02325	2.6
113.07178	0.9
115.05024	1.4
116.07066	3.5
119.03381	1.5
123.08015	1.1
127.07523	2.3
128.07043	0.8
129.05492	1.4
130.03217	7.0
131.03462	1.1
131.72559	0.8
141.09070	2.3
143.07034	5.0
146.08134	70.3
147.05876	3.4
147.08469	3.5
149.04475	2.0
161.04448	2.0
165.09142	2.0
185.08090	1.8
191.05585	1.0
199.09615	1.4
203.09193	5.2
210.29115	0.8
215.12770	1.4
217.11919	13.7
218.12175	1.0
257.64362	0.9
259.11752	1.7
260.12033	1.0
277.12262	100.0
278.12613	7.6
289.16516	3.4
351.67953	0.8
377.18127	2.4
421.16422	2.6
421.21347	5.1
444.97839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	100.0
67.22514	22.7
71.50353	43.9
79.95592	26.6
82.31175	21.8
83.97952	22.3
89.02268	28.4
97.89124	23.2
156.75136	24.6
240.81671	28.0
294.21838	24.7
345.20758	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01593	1.5
61.98707	0.4
67.02730	0.4
71.01265	0.8
73.02871	0.4
83.04875	0.6
85.02832	0.4
85.62813	0.3
89.02335	0.5
89.42810	0.4
93.03365	0.6
97.06496	0.5
101.02343	0.5
105.91971	0.3
108.26700	0.4
123.40459	0.4
153.01852	0.8
161.04596	0.4
161.40637	0.4
169.99120	0.4
173.04465	0.5
181.05096	0.5
191.05536	2.3
201.09178	0.8
209.11801	0.5
227.16583	1.3
281.87357	0.4
287.22473	0.4
377.25641	0.9
406.93405	0.6
419.12610	0.7
419.17459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2759
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
52.19187	0.5
59.01254	3.5
61.98705	0.6
65.70014	0.5
65.83158	0.5
66.44302	0.5
69.98732	0.4
70.56176	1.2
71.01232	0.6
78.95773	0.4
93.03385	0.7
96.47654	0.4
121.02851	100.0
122.03179	3.4
163.03888	1.2
177.67458	0.4
178.06267	0.8
193.08673	1.0
209.08008	0.6
209.57530	0.4
217.15297	0.5
285.62091	0.5
351.45770	0.5
420.27579	49.5
421.22714	0.9
421.27887	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82483	1.0
57.45626	0.8
59.01250	100.0
60.95861	0.8
61.98690	1.5
64.53438	0.9
69.03335	0.9
69.42475	5.4
69.42883	1.4
71.01256	13.9
72.45608	0.8
72.99179	1.7
73.02814	2.9
75.00767	2.0
83.01257	1.2
85.02819	3.5
87.00761	1.7
89.02306	8.5
97.06444	1.2
98.19798	0.9
99.00748	2.1
99.04270	0.9
99.22329	0.7
101.02334	9.2
105.01808	0.8
113.02319	4.8
119.03393	3.7
123.39870	0.8
125.02317	1.0
125.05933	0.9
143.03412	1.1
149.04445	2.2
161.04453	9.0
179.05479	1.7
191.05617	1.0
198.94714	0.9
274.99640	0.9
287.12051	0.9
287.14981	5.1
359.17172	16.8
360.17444	1.3
393.55923	0.8
419.19510	4.8
426.88351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99647	0.4
56.70503	0.4
57.03326	0.9
59.01249	80.6
60.01589	1.4
62.17113	0.4
71.00430	0.4
71.01253	2.4
71.49923	0.7
72.99193	0.5
73.02811	2.3
79.13294	0.4
83.01314	0.4
85.02835	1.7
87.00753	0.4
87.04394	1.0
89.02326	1.8
93.03346	1.0
99.00748	3.6
99.04404	2.0
101.02338	1.4
113.02319	1.0
117.01837	1.0
135.04401	0.7
137.02313	0.6
149.02327	0.6
149.04428	2.6
150.03120	1.1
155.10756	0.4
161.02411	0.6
161.04478	0.9
163.03905	0.5
165.05447	1.0
165.12794	1.1
167.10681	0.9
173.04547	0.9
179.03429	0.7
181.05017	0.7
191.05562	3.1
192.05719	0.5
193.05019	0.8
195.06549	0.9
197.56825	0.4
207.13881	1.6
209.11789	5.6
223.06062	0.6
225.14920	4.1
227.12840	35.2
228.13226	2.9
251.12897	0.8
269.13931	7.9
270.14316	0.8
287.15027	100.0
287.18509	9.1
288.15372	8.6
288.18594	0.8
377.21698	1.2
403.60968	0.5
419.19104	21.5
420.14767	0.5
420.19611	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52290	0.5
59.01255	2.9
61.98710	0.6
65.00180	3.3
71.01276	0.6
79.86706	0.5
81.03334	1.2
82.00480	2.6
88.47576	0.6
93.03347	1.3
95.01257	2.4
97.02827	5.4
99.00793	1.0
99.85717	0.5
101.16728	0.5
105.03311	0.8
109.02842	3.6
109.99976	6.7
112.98694	1.9
116.62889	0.6
121.02819	1.7
121.99959	1.3
123.00787	2.8
125.02307	5.8
125.99476	8.4
134.03635	0.8
137.02341	22.2
137.99486	10.6
139.00304	0.8
139.03908	1.6
141.01857	2.2
149.02368	5.1
149.06058	0.6
150.03081	0.8
150.09108	0.6
151.03920	1.8
152.01039	0.8
152.49382	0.7
153.01839	84.6
153.05458	1.9
153.98964	4.1
154.02130	4.2
155.03427	4.9
161.02284	0.6
163.03946	1.5
164.04686	3.4
165.05487	1.6
168.04196	100.0
169.01315	1.3
169.04492	4.7
177.01845	33.9
178.02625	21.1
179.03185	0.8
179.07079	1.1
181.01411	1.6
181.04974	39.8
182.05299	1.7
192.04210	42.9
193.04959	9.6
194.05641	0.9
196.07349	28.2
197.07672	1.7
207.06569	65.6
208.06876	5.4
209.08083	1.6
211.09691	18.8
211.11710	1.2
212.10036	0.9
287.22284	0.7
348.86569	0.7
377.25201	1.0
419.17117	55.7
420.17407	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17178	0.4
54.07946	0.4
59.01250	100.0
60.01587	1.1
71.01254	2.3
71.50565	0.7
73.02836	1.7
78.95783	0.5
83.04910	0.9
85.02821	0.8
85.99971	0.5
87.00770	0.6
89.02324	1.7
93.03349	0.7
99.00771	0.5
101.02317	1.4
113.02349	0.6
121.02860	1.0
122.03612	0.8
128.61957	0.4
135.04437	0.6
137.02396	0.6
147.04433	0.4
148.54066	0.4
149.02414	2.1
150.03114	4.4
152.01071	0.6
155.10594	0.4
161.02324	0.6
161.04482	0.6
164.04657	1.0
165.05461	5.4
166.02646	0.5
179.03450	0.6
180.04195	0.7
181.05043	0.9
191.05588	1.5
193.01451	1.2
195.06589	3.1
208.03755	1.6
209.08047	0.7
223.06064	4.4
227.12932	1.3
257.10294	1.0
287.15152	0.6
287.18588	1.1
319.50140	0.5
368.74731	0.4
371.11340	0.6
377.21970	0.8
389.11490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.7
68.45771	0.5
69.73203	3.7
71.97794	0.6
74.55833	0.5
79.01705	0.6
79.63319	0.6
83.01247	1.0
93.03368	0.7
95.01270	0.9
97.02820	0.7
109.02856	0.8
111.00784	1.4
114.05484	4.1
121.02814	2.6
123.00750	3.8
124.01527	4.4
125.02381	1.6
127.00339	1.4
133.06473	0.9
136.98674	1.0
137.02310	2.9
138.03151	3.6
139.00266	10.7
139.03929	4.9
149.02335	5.5
149.05960	1.3
151.00275	22.2
151.03908	2.6
152.01065	6.5
153.01825	1.8
153.05513	2.6
154.02568	2.1
159.04387	1.1
160.30724	0.6
161.02386	1.4
161.05995	4.5
163.03987	1.2
164.04710	4.6
164.07027	0.9
165.01787	1.0
165.05476	3.0
166.02623	63.3
167.03384	7.8
169.05029	0.7
175.03932	1.6
176.04712	8.4
177.01860	2.2
177.05496	7.9
178.02629	5.4
178.06190	1.7
179.03439	3.1
179.07033	1.2
181.04984	100.0
182.05312	4.9
186.12357	0.6
187.03833	1.1
188.04762	0.9
189.05487	11.3
190.05951	0.7
191.03482	1.5
191.05458	1.0
191.07051	10.2
192.04222	5.3
192.07823	5.6
193.04990	13.8
193.08571	1.1
194.05675	2.2
195.06483	0.8
204.07895	1.6
205.08452	0.8
206.05771	2.0
206.09415	2.2
207.06589	6.1
209.08147	2.1
210.12439	1.1
219.06525	1.6
221.08171	2.2
236.84775	0.6
237.07611	1.0
283.06107	0.7
283.80020	0.7
311.05630	1.3
313.10831	0.7
326.08002	2.2
341.10245	7.0
343.11813	0.7
345.13577	0.5
356.12573	5.2
359.11395	5.1
360.27390	0.7
371.11185	1.1
371.15146	8.4
372.15326	0.9
373.13101	0.7
374.13705	8.4
375.14120	0.9
376.18729	2.5
386.13800	1.4
389.16068	82.3
390.16461	9.8
401.16064	2.7
402.16373	1.0
404.14792	4.5
419.17145	16.6
420.17383	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90047	0.8
57.03327	2.3
59.01251	23.1
65.00152	0.8
71.01264	3.3
71.51075	1.4
73.02821	1.7
78.10645	0.8
79.95602	0.9
85.02824	1.9
85.06435	0.8
87.00745	1.1
89.02331	1.0
93.03333	4.9
93.81339	0.9
94.64468	0.8
95.04923	1.3
97.74696	0.8
101.02354	2.1
105.03355	2.8
109.02873	0.8
111.00711	1.2
111.04387	1.1
113.02343	1.4
119.04955	1.1
123.00723	1.3
124.01559	1.1
125.02328	1.7
127.11180	1.3
133.02870	1.0
133.06429	1.2
135.04420	1.4
137.02359	2.6
138.02625	0.8
139.00285	1.3
147.04413	1.3
151.00267	2.3
151.03911	6.9
152.00951	1.5
153.01859	2.6
154.02574	0.8
160.14188	0.8
161.02353	30.1
162.02722	2.0
163.03964	0.9
166.02640	3.9
167.03247	3.2
168.03076	1.0
173.04489	1.9
176.04700	18.9
176.06137	1.6
177.01845	1.7
179.03424	51.6
180.03787	2.6
181.05006	4.4
181.49974	1.0
182.05304	2.6
183.05373	1.9
185.15698	0.8
191.05524	8.5
191.07095	6.0
192.04214	1.0
192.07385	0.9
193.05003	1.0
194.05777	48.0
195.06122	2.7
201.14977	0.9
203.03444	1.2
209.08133	100.0
210.08484	5.1
224.84224	0.9
227.16444	1.6
229.17978	4.5
359.11224	1.3
359.28012	3.4
387.10913	6.7
389.11716	1.7
404.10394	2.0
419.13455	3.9
419.30179	22.0
420.30478	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	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01250	100.0
60.01591	1.5
69.38721	3.8
71.01254	4.7
73.02834	1.6
75.00754	0.8
75.24430	0.5
83.01286	0.9
84.70909	0.4
85.02803	2.7
87.00755	0.6
89.02290	1.3
93.03340	1.0
99.04398	0.8
101.02302	3.0
104.63285	0.6
113.02326	1.2
115.30219	0.6
116.58881	0.6
125.02361	1.5
134.03671	0.7
135.04468	1.1
145.40727	0.6
151.03941	0.6
157.42375	0.5
159.03044	0.6
161.04474	1.6
164.03668	0.6
165.80722	0.6
173.04463	0.6
179.03473	0.8
181.05008	0.7
184.25177	0.5
191.05556	2.1
193.05026	0.9
211.13383	0.9
217.33951	0.8
269.17523	0.6
325.20248	0.6
363.02094	0.5
371.91345	0.6
417.21204	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03334	0.9
59.01254	100.0
60.01579	1.2
71.01259	6.6
71.50756	0.5
72.99183	0.4
73.02820	2.2
75.00766	0.4
77.68862	0.4
83.01275	1.3
85.02835	2.9
87.00777	0.6
89.02329	2.1
93.03343	0.6
99.00777	0.7
101.02332	4.3
101.86678	0.4
113.02341	2.2
119.03451	1.0
124.01579	0.3
125.02380	1.1
151.00366	0.5
161.04462	1.9
178.99809	0.4
179.05617	0.4
191.05577	0.6
269.17691	0.7
345.24567	0.4
375.19916	0.8
375.23907	3.4
375.27048	0.3
417.25098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99339	0.9
57.03318	1.7
59.01249	20.1
61.98703	100.0
69.03329	1.3
69.23306	3.7
69.23731	6.8
71.01264	1.1
73.02816	2.1
85.02819	1.2
85.46819	1.0
89.02329	2.0
91.03875	2.5
95.04904	1.5
99.08033	2.3
101.02309	2.1
111.00761	3.1
111.77101	0.9
119.31084	1.0
121.02889	1.3
125.02319	2.9
127.03902	1.4
128.03409	8.8
135.04379	1.4
151.00229	1.7
152.01080	1.5
165.01712	1.3
171.10242	4.9
172.10501	2.0
178.99762	4.0
180.00076	2.3
191.05540	4.3
193.12228	2.2
225.14917	2.5
226.15195	1.9
228.29591	1.1
265.10803	1.6
291.08691	4.9
324.14499	2.2
327.37976	1.4
343.24905	16.6
344.25208	22.1
385.19952	1.2
400.11203	5.4
418.12128	8.8
418.17249	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	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03338	0.5
59.01251	100.0
60.01586	1.4
69.09118	0.4
69.47268	3.0
71.01256	5.5
71.01621	0.6
73.02812	3.2
75.00749	0.5
79.45432	0.4
83.01279	1.1
83.04900	0.5
85.02826	3.0
87.00751	0.8
89.02328	1.8
90.88777	0.3
93.03331	0.6
95.01228	0.4
97.02830	0.4
98.19810	0.7
99.00781	0.8
101.02322	4.1
107.20496	0.3
113.02322	1.5
119.03459	1.0
122.48450	0.4
125.02341	1.0
127.85986	0.4
131.03429	0.5
135.04466	0.7
149.04503	0.5
151.00287	0.5
154.23254	0.4
161.04515	2.5
161.05748	0.5
173.04518	0.7
181.05023	0.4
181.12242	0.6
191.05640	1.9
192.05988	0.4
211.07622	3.2
211.13330	0.6
255.03177	0.5
255.06512	0.5
285.13953	0.4
285.17072	2.1
375.23849	7.7
376.24442	1.1
417.12408	0.7
417.21030	0.8
427.29251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50149	0.2
55.01765	0.4
57.03314	0.4
58.63697	0.2
59.01252	100.0
60.01599	1.1
61.98694	0.3
66.57043	0.2
69.03336	0.2
71.01250	4.2
72.99144	0.3
73.02834	1.6
75.00739	0.4
83.01283	0.7
85.02832	1.7
87.00757	0.2
88.81703	0.2
89.02309	1.8
93.03326	0.3
95.01276	0.3
99.00800	0.4
101.02332	3.2
107.01344	0.2
107.05942	0.3
109.09702	0.2
113.02344	1.3
117.97206	0.3
119.03418	1.3
125.02336	1.3
132.34595	0.3
135.04431	0.3
137.02443	0.3
149.04427	0.3
151.00301	0.5
151.04076	0.2
152.07129	0.3
161.04419	1.3
176.33632	0.2
177.82021	0.2
178.99867	0.3
179.03543	0.3
187.13643	0.2
191.05612	0.4
205.76830	0.3
213.09259	0.4
220.06033	0.3
257.02170	0.3
269.17673	0.7
285.17126	0.4
295.95157	0.2
375.23709	1.9
376.24542	0.3
399.10931	0.4
417.12100	0.5
417.16791	0.4
417.25049	1.6
433.32880	0.2
438.86465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01578	1.0
69.23103	3.9
69.23447	0.5
69.74088	0.4
86.70397	0.4
87.25747	0.3
88.14911	0.4
98.20574	0.8
148.67538	0.4
276.80338	0.4
279.94150	0.4
306.34702	0.3
350.64270	0.4
379.70508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	0.7
64.83677	0.5
65.00195	0.7
71.31493	0.5
87.86520	0.4
97.02868	0.7
100.09430	0.6
113.02333	0.6
125.02336	0.6
125.99453	0.6
126.85954	0.5
137.02370	3.0
137.99498	1.5
139.00250	0.6
149.02376	0.9
151.03897	0.9
151.21114	0.5
153.01848	11.4
153.99142	0.5
154.02225	0.6
161.02322	4.4
168.04195	10.8
176.04716	2.4
177.01845	6.0
178.02599	2.2
178.99861	0.7
179.03423	8.4
191.07121	1.4
192.04205	7.5
193.04941	0.8
194.05794	6.5
195.06139	0.8
207.06548	14.0
208.06990	1.1
209.08139	9.5
229.20052	0.5
387.14594	1.0
399.10181	0.7
399.14880	1.4
417.15726	1.9
417.65106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50149	0.2
55.01765	0.4
57.03314	0.4
58.63697	0.2
59.01252	100.0
60.01599	1.1
61.98694	0.3
66.57043	0.2
69.03336	0.2
71.01250	4.2
72.99144	0.3
73.02834	1.6
75.00739	0.4
83.01283	0.7
85.02832	1.7
87.00757	0.2
88.81703	0.2
89.02309	1.8
93.03326	0.3
95.01276	0.3
99.00800	0.4
101.02332	3.2
107.01344	0.2
107.05942	0.3
109.09702	0.2
113.02344	1.3
117.97206	0.3
119.03418	1.3
125.02336	1.3
132.34595	0.3
135.04431	0.3
137.02443	0.3
149.04427	0.3
151.00301	0.5
151.04076	0.2
152.07129	0.3
161.04419	1.3
176.33632	0.2
177.82021	0.2
178.99867	0.3
179.03543	0.3
187.13643	0.2
191.05612	0.4
205.76830	0.3
213.09259	0.4
220.06033	0.3
257.02170	0.3
269.17673	0.7
285.17126	0.4
295.95157	0.2
375.23709	1.9
376.24542	0.3
399.10931	0.4
417.12100	0.5
417.16791	0.4
417.25049	1.6
433.32880	0.2
438.86465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38931	1.0
55.29336	0.8
57.04113	0.9
59.01256	5.2
60.71094	1.0
72.60307	0.8
72.91927	1.0
98.20604	2.0
137.02316	1.4
137.46391	0.9
138.03125	1.3
139.03922	1.3
254.05714	1.1
256.03738	1.2
265.05045	1.1
266.05795	2.2
269.08228	1.1
281.08228	2.6
283.06085	4.2
284.03259	1.6
293.04541	4.5
294.05334	20.6
295.05875	3.4
297.07874	5.0
297.10986	1.6
298.08258	1.5
299.05624	1.0
310.04788	5.9
325.07156	26.3
325.10876	2.0
326.07413	2.7
327.12311	1.5
340.09467	78.5
341.09863	9.0
342.11032	2.7
355.11844	88.7
356.12311	9.1
357.13370	6.9
370.14172	38.5
371.14655	5.2
372.15771	3.5
373.16409	1.3
385.16537	100.0
386.16940	12.9
387.18195	7.4
402.17130	1.2
417.19202	9.9
418.19553	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82499	0.3
52.48888	0.3
57.03325	0.3
59.01250	100.0
60.01590	1.5
65.00178	0.4
65.22900	0.3
69.18849	0.4
69.19251	3.1
71.01270	1.6
73.02832	1.3
83.01267	0.9
85.02834	1.1
86.21339	0.3
87.00780	0.5
89.02329	0.8
90.29157	0.3
101.02322	1.2
109.02852	0.5
113.02316	0.8
124.01596	0.4
125.02338	1.6
133.02896	0.4
135.04443	0.4
137.02344	0.6
150.03136	0.3
151.00294	2.1
152.00931	0.7
153.01926	0.4
161.02385	0.6
161.04462	0.7
165.05525	0.5
166.02644	2.4
167.03348	0.4
178.99817	0.7
181.04971	3.5
255.06752	0.5
273.87970	0.3
302.03745	0.4
315.18195	0.3
330.87402	0.3
331.27454	0.4
387.11035	1.0
390.07758	0.3
399.10904	0.8
402.13293	1.2
416.65952	0.4
417.11591	0.8
417.16660	1.5
417.28918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03321	1.6
58.00455	1.0
59.01249	100.0
60.01569	1.3
61.98707	1.1
63.20426	0.8
66.91271	0.7
69.18030	5.4
69.18452	2.9
71.01253	32.8
72.99176	2.1
73.02821	4.5
75.00722	1.6
83.01256	2.8
85.02821	7.5
87.00750	1.4
89.02319	28.3
95.01245	1.6
98.20522	1.5
99.00745	1.8
99.22420	0.7
101.02330	20.5
102.86788	0.8
112.38274	0.9
113.02328	14.3
119.03384	11.9
123.04412	9.9
125.02365	1.1
131.03380	2.2
143.03375	3.5
143.65675	0.8
149.02443	0.7
149.04462	0.9
149.18658	0.7
149.38982	0.9
156.69409	0.8
159.02905	1.8
161.02396	0.9
161.03233	1.4
161.04474	23.1
164.68466	0.8
173.04364	1.4
177.09120	5.8
178.95207	0.8
179.05556	7.9
180.05794	0.9
191.05525	2.5
191.13449	0.7
195.10176	1.7
338.60880	0.9
357.15543	26.3
358.15933	2.3
417.17526	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	417.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90612	0.6
59.01255	4.8
61.98701	0.9
69.16171	7.3
71.01249	0.7
75.00742	1.5
107.27525	0.7
116.51677	0.6
123.00771	2.8
124.01550	2.3
125.02323	0.6
129.51614	0.6
137.02318	0.9
138.03110	3.6
139.03894	2.2
141.56506	0.7
153.05487	3.5
161.02364	0.8
161.04462	0.8
168.09741	0.7
173.06007	2.8
181.04951	1.2
185.03529	0.7
201.05515	2.9
202.06369	0.6
203.06989	1.4
216.07828	3.5
231.10201	1.9
232.10500	0.8
241.08591	1.1
254.05737	0.9
265.05017	1.1
269.08005	0.9
279.06522	0.9
281.08133	1.0
282.05362	1.6
293.04584	3.1
294.05310	13.9
295.05933	2.0
297.07559	5.4
308.06873	1.0
310.04834	4.7
311.09415	0.8
313.07141	1.4
325.03409	1.2
325.07147	16.9
326.07568	1.4
327.12283	3.2
328.09482	0.9
340.09491	45.1
340.95581	0.8
341.09949	5.0
355.11862	62.0
356.12292	6.8
357.13419	1.2
370.14182	44.9
371.14624	4.8
385.16559	100.0
386.16904	10.5
387.18521	1.4
402.49783	0.7
417.19495	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1558
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
50.40829	0.5
53.30910	0.5
59.01253	6.8
65.00159	0.9
69.31026	3.6
69.31437	1.2
71.01260	3.9
73.02761	1.5
81.03306	0.9
83.01215	0.7
85.02827	3.7
89.02277	1.0
95.01241	1.2
101.02290	1.5
109.02824	3.9
109.99915	0.6
111.00745	1.1
113.02280	1.1
114.84993	0.5
119.03358	0.6
121.02788	1.7
123.00776	5.0
123.04396	0.9
124.01549	2.6
125.02330	2.9
127.25896	0.5
133.02852	1.2
137.02348	13.1
137.99449	1.6
138.03070	0.6
139.00224	2.0
139.03851	1.6
141.50314	0.6
145.02827	0.5
147.04399	1.2
149.02351	1.6
150.03139	0.8
151.00278	21.6
151.03865	1.7
152.01097	4.9
152.04639	2.3
153.01822	4.2
153.05397	0.8
154.02518	1.6
159.04428	1.4
161.02332	1.0
161.04413	1.1
163.03838	0.9
164.04652	0.5
165.01834	2.0
165.05476	0.6
166.02623	55.1
167.03337	7.5
168.04173	1.2
173.02435	0.7
174.03130	0.8
175.03903	2.8
176.04716	0.6
177.01855	4.3
177.05420	0.8
178.02559	0.7
179.03412	1.0
181.04984	100.0
182.05296	4.3
187.03856	0.7
189.05386	0.7
190.02638	1.1
190.06261	1.1
191.03461	2.2
192.04176	2.0
193.04933	1.4
195.02953	0.5
202.02652	1.0
203.03445	1.5
204.04221	0.7
205.04994	2.0
205.08649	1.8
207.02998	0.5
207.06596	1.9
215.71477	0.6
217.05092	0.8
219.06525	0.7
220.03851	0.8
221.04480	0.5
235.06122	0.8
269.04977	0.6
271.06049	0.6
329.10315	1.2
355.08386	1.7
356.12750	0.6
357.10007	1.0
359.11588	1.8
371.15143	1.1
375.20438	1.1
385.09634	0.6
387.10794	14.3
388.11365	1.8
399.11182	0.6
402.09811	1.7
402.13620	13.4
403.09979	1.6
403.14548	1.1
417.15912	32.0
418.16663	4.9
430.62711	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03325	2.3
58.00473	0.9
59.01249	100.0
60.01590	1.8
69.03322	0.8
69.06699	0.6
71.01252	21.0
72.99185	1.8
73.02814	11.0
75.00725	0.8
78.02924	0.6
83.01260	3.4
83.04891	1.2
85.02829	5.9
87.00745	1.4
89.02312	12.8
93.03345	1.0
95.01284	2.0
97.02847	0.7
99.00757	0.8
99.04398	4.1
99.46099	0.6
101.02322	14.4
102.30776	0.7
107.01289	0.9
111.04420	0.7
113.02335	9.5
119.03379	5.5
125.02350	2.0
131.03409	1.5
143.03436	0.8
146.01671	0.7
147.02907	0.7
149.04448	1.5
151.00317	2.8
152.03409	3.1
155.03365	0.7
161.02328	1.3
161.04503	3.8
167.26657	0.7
173.04584	0.6
173.13292	1.2
179.05650	0.7
181.12346	0.9
187.72998	0.6
189.04031	1.1
191.05568	2.7
211.09833	0.8
223.13298	1.2
238.55081	0.6
265.14453	1.6
267.16022	0.6
283.15491	4.7
284.15997	0.8
355.17639	0.8
373.18637	1.9
373.22763	1.3
415.11050	1.0
415.19409	5.0
415.24347	1.5
416.20071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01253	2.4
61.43142	0.4
67.03926	0.4
68.20914	0.3
69.79659	1.4
69.80069	0.7
72.43262	0.3
73.02844	0.4
75.41483	0.4
83.01250	0.5
85.02828	0.6
89.02325	0.4
93.03330	0.4
94.22765	0.3
97.22395	0.3
98.20538	0.7
101.02345	0.5
101.27254	0.3
103.21452	0.4
107.01251	0.8
132.02081	0.6
135.00710	0.6
143.04950	0.4
145.02817	0.5
147.18375	0.4
151.00278	1.8
155.10693	0.5
159.04472	0.4
161.02232	0.4
163.00339	0.7
164.01108	0.5
178.99719	0.5
179.03519	0.5
181.05113	0.5
183.04408	1.2
185.06020	0.8
187.03912	0.8
191.05533	0.6
199.09599	0.5
211.03957	2.6
227.03439	81.8
228.03784	6.9
229.04988	1.5
239.03474	1.1
240.03976	0.5
255.02957	100.0
256.03470	15.5
257.04465	1.9
284.03253	88.0
285.03888	24.8
286.04388	1.5
327.05045	0.5
417.08240	97.4
418.08572	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	417.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03276	0.8
59.01252	14.6
61.98643	0.6
63.02238	0.8
65.00159	1.4
67.01728	0.8
68.99664	0.8
70.28342	1.2
70.28701	2.2
71.01212	2.1
73.02805	1.7
81.03307	0.7
83.01222	1.2
85.02792	0.9
89.02294	0.9
91.25317	0.6
93.03290	2.4
95.01237	2.6
95.04833	0.8
97.02800	0.7
99.76668	0.7
101.02305	1.1
107.01208	0.9
107.04871	1.4
107.60625	0.6
108.02036	1.5
109.02822	2.6
109.99940	0.7
111.00713	1.4
113.02325	1.0
117.03339	1.2
119.01198	0.8
121.02850	5.0
121.39400	0.6
122.03597	2.0
122.99929	1.1
123.00773	16.2
123.04372	1.2
124.01585	5.9
125.02345	5.2
127.00249	0.8
128.91939	0.6
133.02858	3.1
134.03621	3.6
135.00768	2.6
135.04433	7.1
136.01570	1.7
136.03766	0.7
137.02383	3.6
138.03108	2.7
139.00253	4.5
139.03903	4.4
145.02846	0.9
147.04352	1.3
149.02356	3.5
149.05927	1.3
150.03140	5.8
151.00273	45.9
151.03889	4.8
152.01074	17.1
153.01863	5.3
153.05475	2.1
154.02617	3.1
155.03328	0.8
159.04404	2.2
160.01549	0.8
161.02347	5.5
161.04541	1.2
161.05972	3.6
162.03130	3.5
163.03920	27.2
163.07608	0.6
164.04530	2.1
165.01830	3.4
165.05482	11.6
166.02631	58.8
167.03409	19.8
168.04178	3.5
169.01331	0.8
173.02390	0.8
173.05954	0.9
174.03145	1.1
175.03905	3.4
176.04729	2.6
177.01884	4.2
177.05467	2.6
178.02635	100.0
178.06232	20.3
178.99792	8.3
179.01201	1.1
179.03096	5.8
179.06810	1.4
180.04112	0.9
181.04976	21.5
182.05293	1.4
187.03990	3.1
188.04739	2.1
189.05444	4.6
190.06287	1.1
191.03314	1.4
191.07170	1.5
192.04193	1.1
193.04994	75.6
193.08626	29.6
194.05382	3.9
194.08998	2.1
201.05438	0.7
203.03474	3.2
203.07091	1.1
204.04237	7.8
205.05042	6.6
205.08649	1.7
207.06569	1.5
208.03719	0.8
209.04448	5.9
217.05025	1.0
218.05861	0.9
219.06561	9.9
220.07187	1.8
221.04422	0.8
224.06850	7.2
232.07233	0.7
235.09795	0.8
254.05679	0.9
267.06628	0.8
273.04160	1.4
285.04202	0.9
295.06497	1.3
297.07733	1.3
301.03680	0.8
311.09238	1.2
312.06500	1.6
323.05670	0.7
325.07364	1.3
327.08887	2.4
341.10504	1.2
342.11322	1.8
343.11850	1.0
355.08359	1.7
355.12274	0.8
357.09750	1.4
357.13632	4.1
370.10715	2.2
371.11523	1.8
371.64053	0.6
372.12036	1.9
373.13272	0.6
375.23993	0.7
385.12961	7.3
386.13593	1.2
387.10907	2.3
387.14893	2.2
389.16074	1.5
399.10867	5.1
402.13245	6.9
403.14029	6.7
417.15878	47.8
418.11374	1.1
418.16309	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39171	0.2
55.01765	0.3
57.03318	0.4
58.00467	0.5
59.01249	100.0
60.01585	1.2
67.36703	0.2
71.01251	10.9
71.50967	0.3
72.01616	0.2
72.99204	0.9
73.02817	2.6
75.00771	0.3
77.23867	0.2
83.01266	1.0
85.02818	3.0
87.00773	0.6
89.02317	7.5
95.01247	0.9
97.02852	0.2
97.06480	0.4
99.00749	0.5
101.02326	6.4
102.02674	0.2
105.01825	0.2
107.01281	0.3
107.11957	0.2
111.00815	0.2
112.68201	0.2
113.02327	4.7
113.03073	0.2
113.44611	0.2
119.03383	2.3
119.04913	0.2
125.02344	0.4
131.03439	0.4
133.02834	0.4
135.04445	0.6
137.09683	0.3
139.00293	0.5
143.03433	0.6
149.04475	0.3
151.00285	1.1
157.01416	0.2
159.02907	0.4
161.02454	1.0
161.04475	4.0
167.03349	0.2
173.05963	0.3
179.03465	0.4
179.05577	0.4
187.07661	0.5
191.05499	0.2
202.06319	0.2
211.17041	0.7
243.02936	0.3
255.02965	0.9
256.94437	0.2
263.13043	0.5
271.02475	1.5
272.03009	0.2
300.02737	3.6
301.03201	0.3
323.15228	0.2
329.27145	0.3
355.21213	0.9
359.12994	0.2
373.22278	7.8
374.22806	1.0
397.09094	0.3
407.66681	0.2
415.09961	0.9
415.22971	0.9
416.15872	0.3
428.68359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82759	0.2
55.01758	0.4
57.03331	0.5
58.00454	0.2
59.01250	100.0
60.01590	1.3
61.01670	0.3
64.84772	0.2
71.01254	5.3
71.50746	0.3
72.99186	0.5
73.02812	4.7
75.01810	0.3
83.01257	1.5
85.02814	2.2
87.00752	0.7
89.02299	1.9
93.03353	0.3
96.64767	0.2
99.00789	0.8
99.04454	0.2
101.02326	4.3
106.50448	0.3
107.01268	0.3
113.02322	1.9
119.03407	0.9
125.02346	1.1
143.03400	0.5
151.00278	1.5
153.01869	0.5
154.70004	0.3
161.04459	4.5
169.01360	0.3
170.23302	0.3
179.10704	0.3
189.04062	0.4
194.84401	0.2
213.63110	0.4
265.10922	0.4
283.15479	0.4
360.60004	0.2
373.22324	11.4
374.22638	1.6
415.19397	0.6
415.24124	0.6
433.70288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03318	0.7
58.00469	0.6
59.01250	100.0
60.01585	1.3
65.00198	0.5
71.01254	10.5
71.37642	0.5
73.02822	5.8
74.19036	0.3
75.00749	0.5
81.54947	0.3
83.01273	1.7
85.02824	3.4
87.00751	0.7
87.04385	0.4
89.02315	5.8
90.98531	0.5
92.98058	1.0
95.01292	0.7
99.00766	0.9
101.02319	6.7
101.02927	0.6
107.01286	0.6
113.02304	3.9
119.03374	3.4
125.02373	1.0
129.01810	0.5
131.03404	0.4
151.00293	2.5
153.01822	0.8
161.02390	0.4
161.04460	5.0
165.03926	0.5
169.01340	0.5
178.99821	0.6
191.05534	0.8
223.13412	0.6
225.94283	0.4
262.05603	0.4
294.13354	0.3
373.18341	0.7
373.22311	12.9
374.22803	1.6
411.27975	0.4
415.10468	0.8
415.23489	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03318	0.7
58.00469	0.6
59.01250	100.0
60.01585	1.3
65.00198	0.5
71.01254	10.5
71.37642	0.5
73.02822	5.8
74.19036	0.3
75.00749	0.5
81.54947	0.3
83.01273	1.7
85.02824	3.4
87.00751	0.7
87.04385	0.4
89.02315	5.8
90.98531	0.5
92.98058	1.0
95.01292	0.7
99.00766	0.9
101.02319	6.7
101.02927	0.6
107.01286	0.6
113.02304	3.9
119.03374	3.4
125.02373	1.0
129.01810	0.5
131.03404	0.4
151.00293	2.5
153.01822	0.8
161.02390	0.4
161.04460	5.0
165.03926	0.5
169.01340	0.5
178.99821	0.6
191.05534	0.8
223.13412	0.6
225.94283	0.4
262.05603	0.4
294.13354	0.3
373.18341	0.7
373.22311	12.9
374.22803	1.6
411.27975	0.4
415.10468	0.8
415.23489	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
71.42055	0.9
72.21399	0.6
74.98969	6.8
77.00538	74.8
82.34815	0.6
89.02328	1.1
101.02299	0.7
129.65524	0.6
147.08044	2.4
149.09621	1.9
158.06206	0.5
162.67004	0.5
163.11194	2.3
187.11182	2.8
192.07848	0.8
279.13876	0.9
280.14618	1.1
309.22202	2.7
310.76556	0.6
321.18542	0.8
322.19528	0.6
324.21896	0.7
337.21710	100.0
338.22061	13.7
415.23120	12.7
416.23300	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	415.161
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01760	1.7
57.03326	1.4
58.00466	3.1
59.01251	79.2
69.34116	6.3
69.34535	2.6
71.01255	55.9
72.99178	2.1
73.02822	22.8
75.00734	1.3
83.01277	2.1
85.02830	16.6
87.00756	1.6
88.93446	1.1
89.02316	66.6
90.02652	1.2
95.01236	4.9
98.20605	2.1
99.00758	100.0
100.01112	2.4
100.01727	1.0
101.02326	20.7
113.02336	38.2
114.02703	1.1
119.03391	12.0
131.03398	14.0
143.03419	4.8
149.04462	52.2
150.04823	1.5
161.04466	27.7
167.03394	1.9
173.04474	1.7
179.05548	4.2
191.05542	58.1
192.05884	2.4
194.67967	1.2
220.73090	1.0
233.06683	9.6
283.11954	1.1
293.09036	1.4
311.59250	1.3
415.16086	24.4
415.21362	1.6
416.16461	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	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01751	1.0
57.03318	1.1
58.00468	3.6
59.01250	86.4
60.01582	0.9
69.03318	0.9
69.42127	2.4
71.01253	63.4
72.01588	1.3
72.99177	4.8
73.02818	18.8
75.00728	0.4
77.38422	0.3
81.03310	0.5
83.01255	2.5
85.02824	7.5
87.00739	2.7
89.02317	100.0
90.02639	1.6
90.98487	0.3
93.03347	0.5
95.01276	1.6
97.02830	1.3
98.20503	0.6
98.46672	0.3
99.00758	38.1
100.01068	0.6
101.02324	42.6
102.02670	1.0
113.02332	13.6
114.02658	0.5
115.03891	0.7
117.01818	0.6
119.03392	19.2
120.03793	0.4
125.02341	4.6
128.01064	0.3
131.03398	18.8
132.03754	0.4
133.01335	0.3
143.03397	3.1
149.04466	52.0
150.04816	1.3
151.04012	0.3
161.02394	0.4
161.04475	5.7
162.44164	0.3
173.04437	0.5
179.05524	5.2
185.67401	0.3
191.05544	20.9
192.05855	0.7
211.09714	0.3
221.06599	1.7
233.06560	1.9
243.06616	0.5
251.07680	3.7
252.08167	0.3
283.11835	2.8
293.08752	0.5
311.09857	0.5
398.10318	0.3
415.16034	12.3
416.16251	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	415.1411
Annotation	Angustisepalin
Peak:m/z	Relative Intensity
57.03333	0.6
59.01257	6.3
59.25220	0.6
71.01259	2.3
71.51052	0.9
73.02840	1.1
74.49004	0.7
81.03357	0.7
83.01243	0.7
84.02048	2.0
85.02832	1.4
87.00739	0.9
89.02341	1.9
91.03902	1.2
96.03206	0.6
97.02828	0.8
97.06495	1.5
99.00788	0.7
101.02336	1.7
113.02361	1.0
116.04913	3.2
124.02678	1.9
124.75751	0.7
125.02275	0.9
135.04395	2.2
151.00201	0.7
156.06857	0.7
157.07590	2.4
161.02356	2.1
169.49406	0.7
171.10184	3.6
179.03397	3.0
184.06377	1.4
185.07137	100.0
186.07533	4.0
187.07465	0.8
201.05507	1.0
211.13452	1.3
212.08289	1.9
213.37265	0.8
214.09843	2.0
228.07738	0.7
229.06271	1.4
242.09329	47.8
243.09680	3.3
271.02365	1.1
299.01904	1.0
341.23282	9.8
343.15689	2.0
359.12277	1.1
371.15146	36.6
372.15436	3.9
415.14276	14.3
415.27142	1.5
416.14517	2.1
429.07175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.5
57.03314	2.5
58.00476	4.8
59.01252	100.0
60.01590	2.0
63.58488	1.0
66.89402	0.8
69.03322	4.4
71.01256	78.9
72.01591	1.0
72.99178	6.7
73.02822	8.8
75.00726	2.1
81.03331	3.5
83.01263	7.8
85.02821	14.8
87.00754	13.4
89.02319	83.3
90.02653	0.8
91.03899	1.2
95.01269	3.3
97.02830	8.6
99.00765	3.8
101.02326	63.5
102.02662	1.5
103.00282	1.0
111.00791	1.0
113.01530	1.6
113.02330	28.4
119.03388	24.9
120.03686	0.8
121.02827	1.2
125.02338	13.5
131.03416	4.6
141.01811	1.5
143.03410	11.8
149.04466	2.8
161.04497	12.4
179.05534	26.7
180.05893	0.9
185.04486	1.4
221.06628	6.4
235.08203	13.6
253.09233	9.0
254.09550	1.0
262.81006	0.8
263.07703	4.5
287.07703	1.8
305.08743	2.2
323.09958	1.0
362.09500	0.9
415.14587	97.4
416.14847	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
76.05260	1.1
82.49680	1.0
90.50778	1.0
95.31249	1.3
98.19668	2.0
98.22411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08914	1.4
59.01250	100.0
64.44846	1.4
98.20602	2.5
107.06710	1.4
152.52837	1.5
177.37398	1.9
184.24077	1.5
208.90981	1.6
296.97232	1.5
320.74258	1.6
398.35373	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	415.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.9
58.00473	0.7
58.22017	0.6
59.01251	29.3
63.02277	5.2
65.00194	16.9
67.01750	1.3
68.99689	1.6
71.01251	5.5
73.02821	2.8
78.59427	0.6
81.03329	2.0
83.01253	19.2
85.02831	2.0
87.52561	0.6
89.01844	0.6
89.02286	2.9
95.01289	0.9
97.06461	1.6
101.02328	3.6
107.01272	21.6
109.02834	10.9
110.32752	0.6
111.00775	1.0
113.02331	2.0
119.03405	1.5
121.02832	0.7
124.01543	2.6
125.02336	74.5
126.02682	2.5
131.03430	0.8
133.02902	1.3
134.03560	0.9
135.04439	1.4
137.02348	0.9
139.00386	0.7
145.02802	1.2
146.03650	1.5
148.05186	1.2
151.00275	100.0
152.00671	4.4
153.01833	34.3
154.02199	1.8
159.04387	2.6
161.02362	1.7
161.04634	1.5
161.05968	10.5
163.00227	1.1
163.07582	2.5
168.00523	1.2
169.01329	18.9
171.04356	1.1
172.05205	1.0
173.06009	0.9
174.03088	1.6
175.03687	0.9
175.07570	1.7
178.99788	10.4
179.03305	1.0
183.04456	0.9
186.03101	0.8
187.03960	1.3
187.07654	1.0
188.04778	1.0
189.03790	0.9
189.05492	18.1
189.09074	1.3
190.02609	1.6
190.05833	1.9
191.05560	1.0
193.12297	0.7
197.00853	11.7
199.07594	0.8
200.04837	0.8
201.05510	5.4
201.09122	1.0
202.02695	1.1
202.06143	1.7
203.03471	0.6
212.04565	0.6
214.02821	0.8
215.03360	0.9
215.07019	1.6
216.04163	0.9
217.04988	2.6
217.08624	2.5
219.06551	6.0
219.10173	2.6
223.03926	0.8
226.05975	0.6
227.03435	2.1
227.07089	1.3
228.04306	1.2
230.05692	0.6
233.04514	6.9
234.04982	0.8
234.88293	0.6
239.07167	1.0
239.16443	1.0
240.04349	0.7
241.04991	1.5
241.08548	1.3
243.03008	1.2
243.06575	2.2
245.04529	6.3
245.08134	5.2
253.04852	1.3
255.02971	2.3
256.03766	1.4
257.08249	0.8
261.07593	1.7
262.08444	13.0
263.09039	3.5
271.02979	5.0
271.05981	6.3
272.03015	1.3
272.06332	1.0
273.04141	1.3
274.04852	3.8
283.09824	1.0
283.15326	0.7
285.07828	0.9
289.07242	7.7
290.07346	1.5
299.01840	0.9
300.02737	14.7
301.03180	1.2
301.10846	0.8
309.07620	1.1
325.07358	0.9
325.10843	1.1
327.08899	3.4
329.26956	8.1
330.27585	0.8
353.06662	5.7
371.11392	4.6
373.22134	1.7
373.26089	1.5
379.08185	2.0
397.09314	13.3
398.09540	1.3
415.10294	11.0
415.15152	1.1
415.27734	3.4
416.10764	1.0
416.15814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
65.21377	3.2
69.73257	2.9
69.98714	13.8
79.04704	2.6
113.02287	3.0
134.03665	3.3
159.38129	2.9
236.03853	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.03349	0.4
59.01255	100.0
59.25222	0.4
60.01587	1.0
62.52732	0.3
69.58408	2.6
71.01256	4.3
73.02842	1.3
79.75261	0.3
83.01251	0.6
85.02834	2.2
89.02332	1.6
99.00722	0.4
101.02335	3.0
104.47506	0.3
113.02367	1.5
119.03432	0.6
134.03572	0.4
156.53023	0.4
161.04512	1.1
209.15511	1.0
248.62415	0.4
353.19888	0.9
371.20715	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03329	1.3
59.01252	100.0
60.01593	1.0
71.01258	8.0
72.89880	0.3
72.99187	0.4
73.02809	2.1
83.01266	0.8
85.02818	4.4
87.00790	0.4
88.61108	0.3
89.02319	2.4
90.98514	0.5
95.01267	0.7
98.19801	0.8
99.00774	0.9
101.02320	5.7
101.09662	0.3
102.02715	0.5
106.53227	0.3
113.02335	4.4
119.03397	0.7
137.09630	0.5
151.03911	0.3
159.02904	0.7
161.04491	2.9
191.05708	0.3
209.15506	1.3
353.19601	1.8
371.20728	7.8
372.21255	0.8
413.21982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07077	0.4
57.03326	0.7
59.01249	100.0
60.01594	1.2
62.55076	0.4
69.29187	3.4
71.01249	5.2
73.02816	3.4
77.18977	0.4
83.01284	0.8
83.04884	0.8
83.62477	0.4
85.02822	1.8
86.88457	0.3
87.00761	1.0
89.02322	2.3
93.03347	1.2
95.01265	0.5
99.00780	1.0
101.02328	4.4
102.98499	1.0
105.01788	0.4
113.02323	2.2
114.99969	0.4
119.03425	0.7
131.03343	0.4
135.04463	0.6
137.02361	1.4
149.04478	0.7
151.00330	0.6
151.03929	0.5
161.02354	0.7
161.04503	1.5
173.04434	0.3
179.03490	1.0
189.12787	0.4
191.05585	1.2
207.13860	0.7
209.06149	1.4
237.14880	0.4
241.01506	1.5
245.00761	0.7
246.40820	0.4
251.16592	0.5
270.01636	2.0
271.01886	0.4
281.14145	0.5
298.01385	0.8
311.15134	1.6
325.20251	0.5
327.25415	0.8
371.20859	0.7
377.47629	0.4
377.53195	0.4
413.08502	2.2
413.17157	0.7
413.21857	0.7
419.14200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.4
57.03320	5.6
58.00459	2.7
59.01250	69.1
61.98698	1.2
65.50614	1.4
65.99728	1.4
69.03320	3.9
69.37971	11.6
71.01252	93.7
72.99180	5.8
73.02818	40.1
75.00752	3.6
81.03319	1.6
83.01246	15.9
85.02820	42.4
87.00751	6.1
89.02312	34.1
92.04008	1.3
93.03313	2.4
95.01260	5.2
97.02841	4.4
98.19843	2.9
99.00755	17.7
101.02320	84.2
102.02657	2.8
111.00763	2.3
113.02329	34.8
115.03896	1.9
119.03393	12.2
121.02828	1.3
125.02336	5.5
129.01826	3.0
131.03389	5.6
133.02847	2.1
134.03595	2.6
135.04381	5.5
137.02423	1.8
143.03383	4.5
147.04391	1.9
149.02290	1.9
149.04460	3.1
159.02927	4.9
159.04430	2.4
161.02365	2.9
161.04468	31.3
163.03888	1.7
173.04471	1.9
173.05980	3.3
179.03410	5.0
187.07561	10.1
191.05476	9.3
192.00537	5.0
196.03595	1.4
201.05609	2.2
202.06270	12.9
203.10678	3.8
205.03616	1.5
205.12212	2.1
207.03001	8.1
213.09219	3.0
231.10225	33.9
232.10605	3.9
233.06673	5.5
249.11154	2.2
253.59425	1.3
279.14490	100.0
280.14789	7.1
293.08844	1.9
303.78369	1.4
393.15555	3.4
411.18799	83.9
411.62573	3.2
412.12781	1.7
412.19028	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68324	2.6
58.99486	2.3
59.01251	100.0
71.07880	2.5
71.26366	4.0
71.26699	3.4
96.29054	3.0
114.23861	2.9
160.30029	2.7
233.51605	2.8
305.40070	3.2
314.69315	3.6
423.24368	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
58.03668	2.5
59.01250	94.3
63.25974	2.0
70.64771	5.9
71.01266	9.3
73.02815	4.7
76.93134	2.2
81.03333	3.6
83.53768	2.0
84.91563	1.6
85.02830	3.8
92.70670	1.6
95.09158	1.8
99.00781	2.4
99.04398	86.1
100.04723	2.2
101.02309	21.9
113.02291	2.6
125.02332	35.6
132.61320	1.8
143.03372	3.0
161.04478	4.1
269.10321	13.1
276.20642	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.5
57.03323	59.5
58.00458	1.2
59.01251	100.0
71.01256	22.2
71.49817	1.7
72.99169	2.6
73.02813	6.1
74.02325	0.9
75.00768	1.0
78.65191	1.0
81.03291	1.3
83.01234	2.8
85.02828	9.0
87.00731	1.8
89.01809	1.4
89.02314	11.0
90.98469	22.3
93.03300	2.1
95.01298	1.1
95.02469	0.9
99.00734	3.1
99.04395	61.6
100.04749	1.4
101.02322	24.9
102.02624	1.3
109.53899	0.9
113.02340	8.2
119.03418	9.0
119.04882	5.5
125.02330	22.2
127.06602	0.9
132.02089	5.8
133.02843	2.2
134.03647	5.4
135.04390	1.5
143.03380	1.9
149.04411	2.7
149.05949	1.5
151.03883	1.1
152.99413	0.9
153.98584	0.9
160.00258	1.8
160.01567	34.3
161.02124	1.9
161.04446	6.2
175.03926	44.5
176.04253	2.5
179.05521	2.2
179.06953	1.4
191.05437	3.7
193.04987	7.9
201.09059	3.7
207.06462	1.2
244.88216	0.9
250.08354	1.6
269.10281	11.0
353.12378	1.9
381.15427	2.2
413.14340	31.9
414.14844	3.9
426.00705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.6
59.01254	100.0
61.74480	1.5
69.73844	10.5
71.01259	39.7
72.99195	2.0
73.02819	5.6
75.11835	1.5
85.02837	5.0
87.00754	2.0
89.01768	3.5
89.02322	62.9
94.74323	1.7
98.20520	2.4
101.02329	34.5
111.08502	1.7
113.02353	13.9
119.03396	41.0
123.04433	11.2
134.03641	68.0
135.04364	2.9
143.03407	4.0
148.00087	1.7
150.03070	3.0
151.03912	50.1
151.05067	2.9
161.04500	4.9
165.98013	1.7
174.92696	1.9
179.05560	24.6
189.12744	3.2
228.06647	2.1
231.10231	2.7
236.89278	1.7
262.67462	1.8
268.30591	2.0
298.48074	1.8
313.09167	4.7
411.16599	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	411.1661
Annotation	Pteroside S
Peak:m/z	Relative Intensity
55.28194	0.6
57.03323	1.2
57.28298	0.7
58.00473	3.2
59.01250	100.0
60.01592	1.2
69.11327	0.6
69.79748	3.2
71.01252	44.7
72.01603	0.7
72.99185	4.5
73.02813	2.1
80.72952	0.6
83.01275	2.2
85.02805	5.2
86.82339	0.7
87.00725	3.3
89.02317	72.4
93.03426	0.8
95.01269	2.2
97.06482	2.2
97.11778	0.6
101.02323	39.8
102.02692	0.9
102.98491	4.4
103.00212	1.7
105.03346	0.7
113.02328	13.7
119.03390	54.3
120.03776	1.0
122.03689	0.8
123.04419	8.4
125.02242	0.8
131.03401	2.2
133.02893	1.5
134.03632	92.5
135.04060	2.8
143.03391	6.2
149.02356	1.5
149.04453	1.6
150.03154	4.1
151.03912	55.4
152.04254	2.4
153.05461	0.9
161.04468	6.2
179.05527	40.3
180.05777	1.2
187.07642	1.1
191.05553	1.1
202.06245	2.1
203.10767	0.9
207.13799	1.2
223.77251	0.7
231.10246	8.4
249.11343	0.7
284.46292	0.8
304.03680	0.7
313.09277	8.2
314.10037	2.9
315.10886	0.8
351.14517	1.8
411.16617	14.8
412.17041	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	411.1661
Annotation	Pteroside S
Peak:m/z	Relative Intensity
55.01736	1.3
58.00462	4.1
59.01253	100.0
60.01569	1.8
61.98697	1.2
63.86604	0.9
69.44836	5.4
69.45262	2.5
71.01254	42.7
72.99183	5.2
73.02828	1.9
81.02302	0.9
83.01243	2.8
85.02840	5.4
87.00746	3.7
89.02322	44.3
95.01237	2.0
101.02327	40.6
101.74475	0.9
113.02345	7.5
117.05418	1.6
119.03394	29.4
120.03712	1.2
123.04404	7.1
126.18396	0.9
133.02844	1.4
134.03621	15.7
135.04402	3.8
143.03419	1.8
148.05202	4.0
150.03107	1.8
151.03912	29.4
152.04329	1.1
161.02357	1.9
161.04457	2.7
174.06828	1.9
179.03416	1.5
179.05516	9.0
191.05759	1.2
191.10767	1.9
203.10722	29.6
204.11047	2.3
212.06630	0.9
213.09149	1.5
231.10231	22.5
232.10562	2.1
239.52563	0.9
271.52719	0.8
299.23148	0.9
311.09595	1.5
313.09241	2.4
383.17075	4.1
411.16595	84.2
412.16934	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	411.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	3.2
58.23898	1.0
59.01250	100.0
59.26680	1.0
69.99158	4.2
69.99572	2.3
71.01252	40.5
72.99168	2.8
73.02791	1.1
83.01252	2.3
85.02824	4.1
87.00751	3.4
88.49100	1.0
89.02318	62.5
90.02676	1.6
97.06480	1.9
101.02320	33.7
102.02657	1.1
113.02332	10.8
119.03387	53.7
120.03729	1.3
123.04398	10.9
128.82668	1.1
131.03401	2.4
133.02797	1.3
134.03633	75.3
135.04214	2.1
143.03346	5.1
149.04541	2.3
150.03108	3.3
151.03918	62.0
152.04301	1.8
153.05521	1.0
161.04434	5.0
179.05537	28.8
202.06181	1.6
231.10219	6.1
313.09286	7.9
314.09698	1.3
411.16592	7.3
412.16022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39181	1.6
58.00466	4.1
59.01251	90.8
60.01591	1.4
60.33834	1.1
67.65744	1.1
69.37279	7.5
69.37706	3.7
71.01257	44.1
72.99168	2.1
73.02831	1.6
81.51603	1.1
83.01266	1.7
85.02822	4.5
87.00746	2.6
89.02317	73.0
95.04950	1.3
97.06401	1.3
101.02323	41.3
113.02329	14.5
119.03386	61.7
123.04398	9.5
129.13365	1.3
131.03339	2.3
134.03635	100.0
135.03955	4.3
143.03441	7.0
149.04460	2.7
150.03116	2.6
151.03911	68.5
152.04239	2.3
153.05461	1.7
161.04489	7.1
179.05530	46.3
180.05952	2.4
231.10182	6.4
246.77235	1.4
313.09293	11.8
314.09894	3.5
338.95636	1.2
411.16495	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10913	1.7
52.22070	1.9
53.22619	2.1
54.40303	1.9
57.03328	13.9
59.01254	100.0
69.70351	1.9
69.70691	14.1
71.01257	32.7
73.02837	4.4
74.67746	2.1
83.01253	2.7
85.02834	8.7
89.02315	26.2
89.09978	2.0
95.01237	2.1
95.06005	2.0
99.00741	4.1
99.04404	16.4
101.02332	25.9
102.05508	5.7
113.02330	15.5
119.03388	13.0
125.02322	7.3
131.03421	2.1
135.04440	2.0
143.03456	3.5
161.04477	12.3
179.05528	3.6
185.77707	1.9
187.13319	4.7
191.05522	5.9
238.04111	2.0
265.13025	2.9
277.12939	3.4
349.18655	42.4
350.18909	4.4
409.20126	4.9
410.18185	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	411.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89929	0.3
52.91983	0.3
54.23241	0.3
55.21630	0.3
57.03310	0.9
58.99474	13.7
59.01246	5.2
69.22939	3.3
71.01253	1.6
74.98970	2.3
85.02809	0.6
89.02313	1.3
98.20507	0.7
101.02323	1.1
102.98473	100.0
103.98812	1.0
113.02361	0.4
117.15966	0.3
119.03396	1.0
120.99541	8.6
121.50208	0.3
134.84377	0.3
149.09607	1.5
163.00618	5.6
187.07542	0.9
201.05379	0.5
202.06216	1.1
202.56992	0.3
209.11774	1.8
225.16194	0.3
230.09178	0.5
231.10078	1.8
235.13364	5.6
236.13783	0.4
279.12402	0.7
281.12173	8.0
282.12466	0.9
301.43286	0.3
351.12625	0.4
366.46329	0.3
369.13632	0.4
373.97449	0.3
405.81741	0.3
411.16211	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Pteroside S
Peak:m/z	Relative Intensity
51.15398	0.8
52.03144	1.0
54.00048	0.9
58.00463	2.8
59.01250	94.0
69.50605	4.8
69.51015	2.5
71.01255	38.1
72.99170	3.1
83.01254	2.8
85.02835	3.2
86.19440	0.9
87.00745	2.1
89.01762	1.9
89.02319	38.9
95.01276	1.3
97.06471	1.1
101.01629	1.5
101.02316	29.4
103.40060	1.1
113.02330	6.9
119.03387	27.2
123.04386	6.0
134.03635	16.0
143.03407	2.5
148.05194	3.6
149.02296	1.7
150.03110	3.2
151.03917	27.1
152.04277	1.7
153.05457	1.1
161.04507	2.1
174.06813	1.2
179.05540	10.6
191.10715	1.5
203.10701	21.9
204.11221	1.3
219.13739	1.5
231.10217	17.3
254.80524	1.1
261.80396	1.2
313.09271	3.8
383.17068	5.3
411.16595	100.0
412.17014	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	409.1655
Annotation	Caloxanthone B
Peak:m/z	Relative Intensity
59.01246	6.6
61.98702	2.2
71.01247	2.1
78.32719	1.0
78.95763	1.1
83.04879	1.3
89.02305	0.9
90.45848	1.0
93.03324	1.1
106.04095	1.0
109.02813	1.1
111.00777	1.0
116.92804	1.2
117.02572	1.9
117.03355	24.4
119.04952	1.1
121.02792	2.6
133.02850	18.5
134.03642	18.9
135.04451	7.9
137.02342	18.0
139.03929	5.8
145.02859	87.8
146.03194	4.2
148.05296	1.0
150.03113	2.3
152.99469	1.4
161.02351	18.0
162.02722	2.1
165.01941	1.0
171.07686	0.8
178.02632	5.7
179.03419	5.6
187.03917	2.5
202.06294	2.7
229.08731	2.7
277.10785	3.5
333.06882	1.0
365.17041	1.1
409.16547	100.0
410.16998	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.02491	0.3
53.65219	0.4
59.01245	2.2
70.40791	0.3
70.80396	1.0
78.95775	100.0
82.85138	0.3
96.96839	8.9
111.64768	0.4
133.02829	0.4
149.04361	0.4
149.48599	0.3
150.97942	1.3
152.99489	86.4
153.99837	1.9
162.73291	0.3
164.81190	0.3
171.00554	63.5
172.00941	1.2
178.02562	0.3
255.23274	0.8
275.09293	0.4
292.16937	0.4
325.18463	0.4
403.26938	0.3
407.21735	2.3
408.22430	0.6
411.54111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51598	0.3
62.96254	0.3
63.06402	0.3
69.19620	2.6
78.95774	100.0
91.97077	0.3
96.96840	9.1
98.19753	0.6
113.59956	0.3
150.97966	2.2
152.99489	82.0
153.99799	1.5
171.00557	62.1
172.00906	1.0
201.89378	0.3
218.07198	0.4
224.38641	0.3
242.71661	0.3
308.19437	0.3
407.21991	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	409.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	1.1
59.01252	9.7
61.98693	1.3
64.22966	0.9
65.00195	7.1
69.58078	1.3
71.01249	2.6
71.50666	2.1
72.26931	0.9
89.00216	2.6
89.02325	3.1
94.21156	1.2
97.02825	4.8
101.02330	2.6
109.02858	1.8
119.03363	2.3
121.02856	3.8
124.01545	2.9
139.03891	1.8
146.03629	1.6
159.04408	12.3
159.08086	1.5
160.05060	1.1
165.01840	36.4
171.04376	3.0
172.05212	14.0
173.05914	2.0
174.03171	1.7
182.03572	1.6
183.02875	1.4
185.06023	1.7
186.06772	4.9
187.03900	4.6
187.07550	20.0
192.00624	2.6
193.01344	14.2
194.01538	1.7
197.06027	4.1
198.03189	1.5
199.03992	1.5
200.04736	24.6
201.05127	1.6
201.09236	1.5
202.06253	10.2
203.07011	2.6
207.02954	3.1
214.02589	2.5
215.07076	100.0
216.07413	6.9
226.02679	4.2
226.06310	1.1
229.08688	5.9
230.09398	1.3
232.03702	3.7
241.04942	6.2
243.06577	7.4
254.02275	5.1
264.08060	1.4
269.04544	58.6
270.04865	5.4
275.06906	1.2
276.07855	1.7
277.05194	1.4
291.06595	1.2
293.04361	1.3
299.02148	1.4
304.07300	2.3
307.06302	1.3
308.03259	1.6
310.04556	1.7
319.09857	1.4
320.06854	1.7
325.03491	1.8
332.06927	1.3
337.03525	1.4
338.07944	1.8
347.01813	1.7
347.05667	4.7
348.06323	5.2
363.08670	9.2
365.03101	6.1
376.05905	2.2
380.05341	1.8
391.08209	14.6
392.08679	2.4
409.09314	35.3
409.15067	2.9
409.21912	1.6
410.09778	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39677	0.8
55.01754	1.5
57.03308	1.1
59.01251	93.0
60.01582	1.1
61.58256	0.8
61.98694	0.8
63.13809	0.7
69.03323	1.5
71.01254	18.2
72.99187	1.1
73.02822	7.7
75.00741	3.3
81.03339	1.0
83.01241	3.4
83.04901	1.8
85.02824	9.6
87.00746	2.6
89.02322	10.4
93.03321	1.1
95.01261	1.6
97.06481	1.7
99.00748	2.7
101.01706	1.5
101.02323	16.4
101.72871	0.9
109.02852	1.2
111.00721	1.3
111.04392	0.9
111.07993	1.1
113.02328	6.9
119.03363	3.0
125.02337	1.3
131.03351	2.4
135.04402	1.0
143.03348	1.6
146.03606	2.6
147.04390	1.5
148.05222	0.9
149.02469	1.0
149.04465	14.1
151.96671	0.8
155.03313	1.1
158.03639	8.0
159.03032	1.2
159.04420	15.6
160.04988	1.2
161.04494	8.7
171.10173	10.3
172.05180	4.0
173.04457	2.6
173.05975	8.8
173.08107	2.2
174.03174	1.3
174.06689	2.8
175.07527	3.1
179.05482	0.9
185.05998	1.2
187.03995	4.1
187.07561	35.2
188.04619	1.0
188.07941	2.9
191.05545	5.2
201.05472	3.0
201.09222	1.2
201.11157	1.0
202.06282	8.4
203.07063	2.0
203.10678	7.5
203.12787	2.8
205.08672	1.9
209.11699	2.5
213.05507	1.9
213.09056	1.5
215.07037	2.3
216.07790	1.3
227.12791	1.6
231.06531	3.6
231.10272	8.0
232.03931	1.0
253.09203	1.4
257.08127	1.3
275.09250	100.0
275.18494	2.2
276.09561	10.5
285.11252	1.3
302.97592	0.9
305.15991	0.8
315.17889	1.2
317.10217	2.1
334.38596	1.0
347.12830	1.3
347.17081	23.7
348.17386	2.9
365.18085	30.8
365.21951	2.9
366.18396	2.0
407.13596	3.0
407.19125	32.2
407.26477	2.0
408.19547	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	407.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	20.1
59.15932	1.0
69.34542	6.8
71.01252	6.9
73.02805	5.3
83.74902	0.9
85.02812	1.4
87.00725	6.2
89.02312	32.5
93.03307	1.0
103.03902	2.7
109.02837	2.9
115.35911	0.9
116.81419	0.9
131.03407	6.2
135.04422	1.6
146.03596	1.8
149.04459	100.0
150.04779	3.5
150.67639	0.9
158.03638	4.6
159.04442	9.7
160.05074	1.2
161.09532	1.0
172.05208	6.8
173.06010	9.4
174.06712	3.3
175.07516	3.8
183.04442	1.6
184.05142	1.2
187.04021	4.8
187.07570	55.6
188.07941	4.2
189.05539	1.3
197.05965	2.6
199.03903	1.6
200.04755	1.4
201.05545	6.5
202.06282	17.1
203.10683	4.5
213.09131	15.7
215.07074	10.0
216.07550	0.9
227.03407	2.7
229.08580	3.8
231.10220	43.5
232.10526	3.4
257.08188	16.0
258.08344	1.9
275.09247	50.6
276.09540	4.2
303.77145	1.1
381.93390	1.0
407.13516	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	407.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29789	0.6
58.06165	0.6
59.01238	3.1
63.27480	0.6
68.14892	0.7
69.03333	1.3
71.01262	5.3
71.01601	1.0
73.02811	4.6
77.60035	0.6
82.27004	0.6
85.02827	1.8
87.00756	4.4
89.02316	31.2
90.02693	0.9
103.03878	2.1
110.02483	0.8
122.09079	0.8
131.03392	9.1
135.04417	0.6
146.03752	0.9
149.04457	100.0
150.03117	1.6
150.04807	1.5
157.68947	0.7
158.03644	1.8
159.04462	4.5
165.05478	2.2
172.05170	8.6
172.06281	0.7
173.05959	5.2
174.06725	2.5
175.07559	1.4
183.04477	1.0
184.05174	1.2
187.04050	4.3
187.07570	56.3
188.08015	4.1
199.03894	1.4
200.04733	2.8
201.05498	8.3
202.06267	17.8
203.06802	1.3
203.10741	2.7
204.04295	1.1
213.09192	11.8
214.09457	0.8
215.07050	9.6
216.07669	1.9
227.03458	2.2
228.04149	1.4
229.08743	3.9
231.10233	35.6
231.85165	0.7
232.10577	2.7
257.08167	13.1
275.09253	24.0
276.09525	2.7
359.15198	0.9
407.13834	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	407.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07189	0.4
59.01247	1.8
69.03337	0.5
69.63988	2.2
71.01241	3.8
73.02826	2.6
85.02827	0.6
85.94156	0.4
87.00743	3.6
89.01760	0.9
89.02317	18.9
93.07230	0.5
98.19849	0.6
99.04394	0.6
103.03886	1.3
109.02801	0.6
130.98564	0.5
131.03395	5.7
133.02852	0.7
134.03662	0.6
146.03581	0.6
148.92267	0.4
149.04462	100.0
150.03018	0.5
150.04781	2.2
159.04416	1.9
172.05249	4.3
173.05963	3.4
174.06792	1.8
175.07590	1.6
183.04428	1.4
184.05219	1.0
187.04123	2.3
187.07568	40.5
188.07907	2.7
191.05534	0.8
197.06070	0.6
199.03911	1.0
200.04694	1.9
201.05521	3.1
201.09274	0.7
202.06313	9.1
203.06909	0.9
203.10703	1.3
204.04276	0.8
211.07677	0.4
213.09131	7.4
214.09508	0.5
214.95061	0.5
215.07080	7.2
216.07796	1.0
221.43228	0.4
227.03461	0.9
228.04195	2.1
229.08640	3.8
230.09520	0.6
231.10223	35.0
232.10551	2.6
257.08185	22.7
258.08517	1.8
271.86295	0.5
275.09262	34.8
276.09561	3.0
407.13538	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	405.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.9
61.98700	1.0
68.99676	0.5
71.01271	1.0
71.06554	1.0
72.99184	0.7
73.40221	0.5
85.02814	0.8
89.02322	0.5
95.01283	1.2
96.95910	0.4
97.02866	0.8
99.00190	0.5
99.00787	1.0
101.02328	0.7
121.02863	0.5
135.04422	0.7
149.04448	0.7
151.03911	3.8
153.05502	4.0
166.06253	0.6
174.03230	0.4
175.07487	0.5
181.04994	76.8
182.05304	4.2
187.04063	0.6
187.07594	0.6
196.07352	69.8
197.07712	4.1
201.05457	0.4
203.07053	0.9
211.09711	100.0
212.10045	5.7
215.07130	0.7
219.12331	0.6
225.09091	0.8
229.08598	0.9
233.08168	1.6
273.07501	0.8
405.25003	1.0
421.26962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41227	1.2
59.01253	1.9
69.25790	14.2
69.26125	2.4
71.01231	1.7
93.03324	3.0
95.04914	3.3
97.06458	3.5
98.20560	2.8
105.03308	6.6
106.04106	2.1
121.02826	5.7
133.02847	66.6
134.03632	84.4
135.04443	16.1
137.02345	43.5
139.03899	15.6
149.02342	2.0
149.04480	9.1
150.03177	3.0
159.04352	1.5
176.99530	1.6
177.01848	53.8
178.02631	100.0
178.40237	1.3
179.03314	11.8
181.04955	4.8
187.07590	3.9
202.06227	1.6
203.10733	1.8
213.09218	2.6
231.10263	9.1
257.08151	2.6
265.07184	6.4
266.07928	5.1
275.09265	61.2
276.09604	5.2
310.06873	12.6
322.21457	1.7
353.58179	1.5
407.13559	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11179	1.2
54.58693	1.3
55.01767	1.9
57.03323	53.1
58.00463	1.3
59.01249	100.0
61.98695	1.7
69.03339	1.3
69.42485	1.9
69.42892	9.2
70.75488	1.2
71.01255	22.5
72.99162	2.1
73.02819	11.3
81.03326	1.4
83.01267	3.9
83.04909	1.9
85.02817	8.0
87.00754	3.7
87.04405	1.7
87.76844	1.3
89.02312	19.1
93.06963	1.4
95.01263	2.5
97.02808	1.4
97.03973	1.7
97.06467	3.0
98.20532	2.8
99.00774	3.2
99.04398	44.3
101.02320	28.0
109.02805	1.8
111.00729	1.3
113.02341	12.2
119.03396	8.4
123.08031	1.5
125.02347	14.5
125.09621	5.4
129.05553	1.4
130.08643	1.4
131.03363	2.1
135.04382	2.5
137.02377	2.3
137.09558	2.0
139.11201	15.4
143.03395	3.7
148.77126	1.2
149.04454	5.3
153.09094	1.8
161.04454	8.1
164.01059	1.2
164.04652	1.3
165.01831	15.4
165.05464	1.6
165.12971	1.3
173.04541	1.7
178.75435	1.3
179.03410	3.3
179.05553	2.3
179.07060	2.2
180.04199	8.6
181.12273	11.2
183.10187	23.1
184.10577	1.9
187.09709	4.9
191.05571	3.5
195.06529	13.1
199.13348	8.9
209.11714	1.6
210.05247	2.4
225.07773	6.2
225.11235	10.0
229.08620	3.3
240.53102	1.2
243.12352	94.2
243.16122	3.7
244.12654	7.0
249.11259	1.2
257.15118	2.8
261.13431	9.1
266.82349	1.3
273.07733	4.0
273.13495	3.0
273.17099	4.8
285.13422	3.4
303.14444	2.7
320.14304	1.3
345.15540	2.0
345.23044	1.4
357.13675	1.6
387.23740	1.9
405.12061	1.1
405.17136	7.4
405.25659	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01251	34.4
61.93740	0.6
69.03326	0.8
71.01257	10.4
71.50021	1.1
72.99181	0.8
73.02821	6.6
81.03308	0.7
83.01231	1.3
85.02822	3.9
87.00777	1.2
89.02309	3.6
95.01280	1.0
97.02819	1.8
101.01707	0.8
101.02329	9.2
105.08239	0.5
113.02351	5.9
115.03886	0.9
119.03409	1.3
123.95155	0.6
125.02344	1.0
125.09664	0.8
131.03398	0.9
135.04411	0.8
137.02347	0.7
139.11197	18.1
140.11540	1.0
143.03456	1.0
147.24612	0.5
149.02333	1.2
149.04434	3.6
150.03198	0.8
161.04456	2.3
165.01866	2.2
165.05505	1.3
165.09085	1.2
172.42145	0.6
173.04454	0.8
174.21548	0.6
179.03481	1.3
180.04178	1.1
181.12277	12.4
183.10201	24.3
184.10513	1.4
185.06026	1.7
187.07562	0.7
191.05576	1.7
194.05838	0.7
195.06567	1.9
199.13373	5.1
225.07755	0.9
225.11278	8.4
226.11873	0.7
229.08636	1.6
231.06537	2.2
243.12352	100.0
244.12738	7.0
273.07742	2.0
273.13641	1.3
273.17111	2.2
280.41333	0.6
285.13440	2.5
287.15018	0.7
297.13376	2.2
315.14505	2.2
327.08585	0.8
342.11023	1.0
346.42294	0.6
357.13388	2.2
386.81229	0.7
405.12003	1.3
405.17551	4.2
405.25562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11327	1.1
53.24678	1.0
59.01241	4.9
69.50716	6.2
69.51120	2.2
71.01279	1.1
73.02802	1.1
89.02309	3.4
93.03337	4.1
105.03337	1.3
121.02816	6.6
122.03625	13.5
133.02798	1.7
149.00534	1.3
149.02361	50.3
149.04381	11.3
150.03136	100.0
151.03563	4.7
160.05176	1.2
161.02370	6.4
164.04704	10.7
165.05486	99.3
166.05798	6.4
172.05196	1.7
175.07532	1.5
176.04716	5.2
177.36688	1.1
179.03358	11.8
180.04240	7.9
185.06015	1.7
191.07069	1.6
194.05791	11.2
195.06561	51.6
196.05148	1.2
196.06882	3.2
200.04607	1.8
209.08118	17.7
210.08350	1.3
217.88023	1.3
229.08740	5.2
273.07654	2.1
273.17029	3.3
283.30963	1.2
319.62390	1.5
342.11020	3.3
357.13443	26.1
358.13708	2.2
405.11700	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84008	0.6
55.01756	0.8
59.01250	100.0
60.01594	1.2
71.01254	13.8
71.29028	0.7
71.29363	1.1
73.02828	3.2
74.39315	0.6
83.01256	0.9
85.02818	3.9
89.02323	5.2
95.11427	0.6
99.00761	1.2
99.05517	1.4
101.02330	6.5
113.02347	4.6
119.03395	1.3
125.02341	1.2
128.03419	3.7
129.03770	0.7
143.04541	4.5
144.04874	0.9
149.04480	1.6
153.01836	21.2
153.03091	1.0
159.02910	1.2
161.04448	8.6
168.04190	24.7
169.04515	1.2
173.04550	0.7
173.26657	0.6
173.40437	0.6
183.06557	16.8
184.06902	1.4
191.05573	2.3
201.11375	0.7
210.47304	0.6
211.09077	0.8
215.09058	0.8
229.08716	2.3
259.36664	0.7
272.08893	1.3
273.07510	4.4
274.08185	0.9
306.07828	1.5
307.08157	2.2
363.16815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15087	1.3
55.01740	1.6
57.03314	1.9
59.01249	62.5
60.97101	1.2
61.98689	3.4
63.74190	1.5
71.01255	17.3
71.49425	1.3
71.49815	1.5
71.50176	1.4
72.99167	5.8
72.99612	1.1
73.02815	6.8
75.00755	1.5
79.52856	1.4
81.03322	1.6
83.01247	3.0
85.02821	7.8
87.00738	2.2
89.02293	7.8
95.01244	1.2
97.06446	1.6
99.00758	10.5
101.02312	15.0
108.02055	2.7
109.02837	15.3
111.04417	1.3
111.08013	1.8
113.02317	7.4
119.03365	4.4
121.02815	3.6
123.04360	3.4
124.01539	2.6
125.02289	2.4
136.01578	11.8
137.02330	2.9
139.00243	2.6
139.03864	3.8
145.02838	2.4
146.03633	2.0
147.04361	1.9
149.04442	3.5
149.06023	2.1
151.00291	3.8
151.03897	11.1
153.01830	5.8
159.04433	3.4
160.05196	1.7
161.02322	3.3
161.04430	4.6
161.05788	2.1
163.03835	1.3
165.01758	1.6
165.05403	1.6
166.02635	9.1
167.03360	1.8
167.10718	1.5
168.04155	6.5
169.01344	2.3
171.01826	1.5
173.02296	4.1
174.03111	1.7
175.03880	4.4
176.04680	5.0
177.05408	4.6
181.04987	9.5
183.06526	5.5
183.10162	2.9
187.03955	8.7
189.03979	1.3
190.06332	1.8
191.05443	1.8
191.06981	3.1
201.11157	2.1
205.04938	7.7
209.06078	1.3
215.12836	2.9
220.07295	2.9
225.05434	2.0
226.06200	1.4
229.10721	6.1
231.06534	2.0
243.12436	6.4
253.05013	2.9
254.05858	4.2
265.05060	2.6
266.05798	3.1
273.16986	2.3
279.06613	1.9
281.04395	1.6
282.05344	23.9
283.05780	2.3
294.05325	2.3
296.06720	2.4
297.07675	42.4
298.08102	4.3
309.07596	7.4
312.09995	48.3
313.10437	4.1
324.09891	2.9
327.09113	5.1
327.12350	100.0
328.12732	11.6
342.11108	9.4
345.15680	8.9
357.13409	52.7
358.13782	7.8
363.16550	25.7
364.16925	2.0
375.14465	9.3
405.12000	2.6
405.17575	27.7
406.17719	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61124	1.4
50.94719	1.3
59.01252	19.6
61.98700	7.8
65.47520	1.5
70.27178	7.1
87.00738	10.4
96.58147	1.6
107.04988	2.1
109.02865	1.7
121.02877	5.5
123.00771	4.8
123.04408	2.7
124.01595	3.2
133.02882	1.9
135.04433	2.2
137.02403	4.9
138.03131	3.9
139.00356	2.1
139.03972	4.9
151.00320	4.9
151.03995	5.1
152.01138	11.0
152.99539	1.8
153.01843	2.4
153.05557	3.9
159.10272	2.6
161.06056	2.1
165.05499	2.2
166.02687	6.1
167.03342	4.0
173.06044	3.4
177.01807	1.7
177.05589	1.8
178.02615	10.1
179.03481	6.0
181.05052	5.1
182.03769	1.9
182.05365	4.5
186.06926	4.6
187.07582	4.8
188.04684	2.6
189.05582	4.0
190.05988	3.0
191.06070	2.9
193.05049	7.4
201.05692	5.2
201.09100	2.7
202.06386	2.6
205.08374	2.1
211.07712	2.6
214.06386	6.4
215.07185	4.5
216.07933	2.6
219.06680	2.2
221.08031	3.4
229.08690	4.0
238.06358	2.8
241.01337	9.0
253.05177	2.2
255.03323	1.8
256.03784	4.7
258.01773	2.5
265.05203	2.2
266.05878	3.2
267.06451	2.2
269.01074	3.1
269.04654	2.6
269.08179	3.6
273.04077	2.1
279.10251	2.5
281.08432	2.9
282.05362	3.3
283.06284	3.5
284.03366	13.7
285.03802	2.6
288.06345	1.7
289.07358	5.2
293.04782	5.2
294.05344	27.8
294.08435	2.1
295.06036	6.7
295.09787	3.4
297.04724	2.9
297.07874	10.9
297.11023	2.1
299.05630	14.7
303.08878	6.9
307.06210	2.4
309.07840	2.1
310.04984	9.7
310.08286	2.7
311.05713	1.9
311.09338	3.8
312.10049	2.3
313.10965	2.1
314.08017	2.8
318.11002	2.0
325.07175	32.7
325.10516	2.7
326.07791	4.2
327.12579	7.2
329.10330	3.1
338.11844	2.1
340.09503	100.0
341.10071	13.2
341.14185	4.1
342.14969	4.7
353.13968	3.4
355.11838	90.8
356.12244	11.1
370.14218	80.4
371.14737	8.8
373.12576	16.0
373.17123	11.7
374.13358	2.2
385.16553	88.9
386.16730	11.7
388.10767	3.5
388.15204	23.1
389.15961	2.9
403.17880	81.9
404.18304	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	405.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57882	6.2
53.70332	6.0
59.01255	42.6
59.52045	5.1
61.98705	5.0
69.03326	11.7
69.53986	44.8
71.01248	17.9
72.99178	9.5
73.02824	25.5
74.04229	5.7
79.05396	42.3
83.04890	39.9
84.39789	5.1
85.02844	10.1
87.00751	7.0
89.02321	30.2
95.04889	13.1
97.02837	9.0
97.06458	39.1
98.03602	7.0
98.19843	11.7
99.04406	8.3
107.04915	11.5
113.02316	11.2
115.03898	25.8
120.14169	5.5
125.02319	10.3
131.03294	6.8
135.04332	7.8
137.09622	37.0
141.05527	18.3
148.42026	5.9
149.04433	53.7
149.09636	43.5
165.00047	6.4
167.03433	8.0
167.10739	20.2
181.08659	9.7
192.99442	9.1
193.08624	11.5
195.06648	7.8
209.08167	7.3
214.06346	13.9
229.08730	100.0
230.09074	11.7
243.08566	7.4
244.09766	58.4
246.05350	8.4
255.06621	8.7
273.07571	24.6
273.09802	22.3
313.13181	9.2
343.13654	6.4
405.14523	13.3
405.20511	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	403.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.2
59.40390	0.8
61.98695	1.7
67.01769	1.7
68.99678	1.2
69.43318	4.9
69.43726	1.6
71.01249	1.7
73.02834	1.2
78.68626	0.8
79.95612	2.6
80.96414	1.1
81.03335	1.3
82.00628	0.8
82.60218	0.8
83.01261	1.7
93.03333	1.4
93.97210	1.1
94.97975	1.6
95.01263	13.8
101.02325	1.1
108.02029	0.9
109.02834	2.3
111.00774	3.8
112.98730	1.0
119.04922	0.9
120.95940	1.4
121.02854	1.4
123.00777	12.8
123.04447	3.4
124.01580	3.8
125.02367	2.6
125.99535	0.9
127.00275	3.3
133.02881	2.3
134.81567	0.8
135.04460	2.0
136.00636	1.1
136.01521	4.4
136.98697	2.7
137.02390	3.4
138.03159	3.9
139.00276	14.5
139.03928	3.9
145.02850	0.8
146.03618	1.1
146.71223	0.8
147.04424	6.8
148.01613	0.9
149.02351	1.7
149.05965	1.4
150.03134	1.0
151.00327	1.5
151.03931	6.3
152.01044	1.2
153.01898	2.5
153.05476	1.3
154.02635	1.3
159.04466	1.8
161.02333	1.3
162.03160	2.0
163.03917	2.6
165.05594	1.1
166.02638	1.2
167.03404	1.9
167.80540	0.8
173.02301	1.1
174.03172	0.9
175.04045	1.1
175.07703	1.1
176.01099	2.1
177.01904	4.2
177.05476	6.6
178.02615	11.2
178.04054	1.0
178.05925	0.9
179.03389	2.0
181.04962	1.8
188.04739	5.9
189.01898	1.8
189.05577	1.5
191.03423	3.0
191.05518	1.1
192.04227	2.6
193.04977	15.6
193.06584	1.3
203.03444	2.4
204.04208	2.1
207.06561	1.4
218.05675	1.5
219.06566	1.1
226.98093	0.8
271.15604	2.4
282.78635	0.8
285.07663	2.0
298.04764	1.0
306.07495	2.8
313.07248	3.9
315.09073	1.4
325.07129	1.8
327.08755	1.6
328.09467	14.2
329.10022	3.3
339.08838	1.2
340.09497	1.6
343.08362	4.8
343.11871	47.7
344.12216	4.8
348.80475	0.9
355.08041	1.5
355.11905	2.9
355.41040	0.8
359.11581	1.0
370.10699	1.5
373.09183	11.5
373.13086	20.6
374.09351	1.3
374.13513	1.9
387.11002	2.9
388.11588	17.8
389.11859	1.7
403.14069	100.0
404.14346	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	401.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34701	0.7
57.03318	0.9
57.36179	0.7
58.58150	0.7
59.01255	9.3
61.98693	2.1
65.00188	2.4
71.01256	1.3
71.42958	0.7
71.50086	0.9
81.03349	1.1
82.00473	1.9
83.01249	1.0
85.02823	0.9
89.02323	1.1
93.03319	1.7
95.01260	1.8
95.04897	1.3
97.02827	6.1
99.00798	1.7
101.02313	0.9
106.47333	0.8
107.83966	0.8
109.02840	3.3
109.99977	8.6
112.98698	2.4
120.31403	0.7
120.99174	0.7
121.02847	23.6
121.99948	0.9
123.00786	3.3
124.95090	0.7
125.02358	5.0
125.99485	6.9
133.02844	0.9
134.03654	0.7
135.04434	5.4
136.01508	0.8
137.02348	25.1
137.99496	12.5
139.00269	0.8
139.03960	0.8
141.01811	2.2
149.02341	6.5
151.00259	2.3
152.01042	1.4
153.01845	95.8
153.98981	5.5
154.02200	3.4
155.03401	4.3
163.03929	43.6
163.11247	1.0
164.04688	3.8
165.05544	2.0
166.02640	3.3
168.04201	100.0
169.01334	1.5
169.04507	4.8
177.01866	30.4
178.02663	20.6
178.06270	35.7
179.03241	1.3
179.06882	1.7
181.01421	1.4
181.04982	6.9
181.06464	1.0
189.05458	5.0
192.04218	41.2
193.04965	9.7
193.08635	25.2
194.09055	1.4
204.07889	1.5
207.06570	54.9
208.06964	3.0
209.08177	3.2
209.11736	2.2
225.05568	1.6
269.10321	0.8
285.04086	1.2
286.04846	0.9
291.19675	2.5
313.07141	5.7
357.06189	2.7
360.12256	2.2
368.57321	0.9
383.11319	1.1
386.13867	1.0
401.08835	3.1
401.16061	34.9
401.27072	1.7
402.16415	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18523	0.8
51.59015	0.8
55.01754	8.8
57.03329	5.5
58.00469	2.4
58.25777	0.8
59.01249	49.2
63.25850	0.8
69.03312	2.9
69.39019	2.5
69.39438	4.0
71.01253	100.0
72.01583	1.4
72.99186	3.7
73.02818	47.0
75.00757	3.6
81.03345	1.4
82.55113	0.7
83.00761	0.8
83.01260	16.7
84.02067	0.9
85.02821	51.8
85.99959	1.1
86.03172	0.9
87.00746	5.0
89.02309	19.5
91.49246	0.7
93.29128	0.9
95.01269	6.1
97.02812	5.5
99.00760	20.0
99.04365	1.3
101.02322	80.9
102.02653	1.4
111.00723	1.6
113.02328	35.9
114.02676	0.9
115.03898	5.1
119.04890	0.7
125.02340	7.8
129.01833	2.1
131.03423	3.5
135.04468	1.4
143.03401	4.6
148.36128	0.8
149.04425	1.7
159.02925	8.7
161.04465	46.0
162.04832	2.2
165.01735	0.7
191.05537	1.9
195.06534	3.4
205.03412	0.9
213.49034	0.7
233.06665	7.7
251.09142	1.1
269.10291	78.7
270.10577	5.8
293.08832	2.5
311.11343	1.6
341.15759	1.0
401.14502	70.3
402.14835	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63383	0.4
51.36882	0.4
55.01756	0.5
57.03318	0.6
58.24204	0.4
59.01247	22.2
67.86707	0.4
69.03310	0.5
71.01254	7.1
71.07034	0.8
71.07391	0.6
72.99181	0.6
73.02809	4.3
73.35331	0.3
81.36535	0.4
83.01254	0.9
85.02814	3.2
87.00776	0.8
89.02324	1.3
95.01241	0.7
99.00751	1.5
101.02315	4.7
103.03938	0.6
108.02052	1.1
113.02331	3.5
119.04877	2.7
120.99556	1.3
121.02857	2.8
123.04419	3.8
124.01578	1.3
125.02357	0.7
131.03395	1.8
134.03629	2.1
135.04419	10.0
136.05206	28.1
137.05522	1.4
139.63145	0.4
149.02365	1.1
149.04491	1.4
149.05972	2.5
150.03084	0.8
151.03914	3.7
151.07552	14.3
152.07878	0.6
159.02856	0.6
161.04443	3.3
165.05489	0.6
177.05458	0.6
186.23874	0.4
191.05548	1.3
195.06555	100.0
196.06882	5.5
269.10287	93.0
270.10602	6.6
326.13510	0.6
337.67838	0.4
341.15732	0.9
401.14404	9.9
402.14673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	7.9
65.00190	2.8
71.01255	2.6
71.39010	1.2
71.49549	1.9
80.49807	1.4
81.03326	3.2
82.00494	2.0
89.02303	1.8
90.72189	1.3
93.03344	2.8
97.02824	5.4
101.02328	1.4
105.00190	1.3
109.02829	3.7
110.00032	7.1
110.05627	1.2
121.02838	22.0
123.00760	5.1
125.02348	6.8
125.99476	6.2
135.04420	8.2
137.02347	24.7
137.99484	10.4
139.00243	2.6
141.01831	2.7
149.02341	4.4
153.01842	90.8
153.98996	4.3
154.02203	3.6
155.03427	5.5
161.05910	1.9
163.02536	2.3
163.03912	47.0
166.02663	3.5
168.04190	100.0
169.04506	5.4
177.01849	27.0
178.02655	20.8
178.06276	40.0
179.06755	2.3
181.01361	1.9
181.04961	5.3
181.06419	1.6
189.05472	4.6
191.03398	1.5
192.04204	34.1
193.04974	8.9
193.08611	35.8
207.06558	56.0
208.06947	2.6
215.35512	1.5
313.07071	4.9
341.10767	3.2
349.44803	1.6
357.06137	2.6
371.11377	2.5
386.13782	2.5
401.08939	5.3
401.15973	23.8
402.16272	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26286	1.5
55.01754	2.1
59.01251	100.0
60.01572	1.4
63.12189	1.3
63.29389	1.2
69.31643	2.0
69.31967	12.8
71.01257	9.3
72.99138	1.5
73.02825	10.2
74.98962	3.9
75.40917	1.4
83.01254	1.5
85.02828	8.1
87.00758	2.4
89.02338	2.9
93.03349	8.0
97.02804	1.4
98.20512	2.5
101.02315	9.7
111.00724	1.8
113.02319	3.0
135.04362	3.8
136.99030	3.2
138.01810	2.3
161.04504	9.9
161.05629	1.7
173.04457	4.1
182.02145	1.5
191.05566	16.0
192.05908	2.6
194.72975	1.6
197.04475	2.5
228.38391	1.3
229.08574	3.1
230.08806	1.7
269.10452	2.4
269.13910	3.6
274.94427	1.3
279.06631	1.7
296.91522	1.5
299.11365	45.3
300.11670	4.7
306.09134	1.8
341.12216	4.3
404.00647	1.7
421.26605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25076	2.1
53.27804	2.0
56.89555	1.7
59.01241	5.3
64.14820	2.1
69.79128	4.3
69.79539	6.9
71.01231	5.3
73.02811	2.1
75.20222	1.8
85.02816	4.3
87.00749	62.2
89.84994	1.8
94.15060	2.0
101.02338	3.2
111.00699	2.6
113.02359	2.9
121.02802	2.4
123.00800	5.0
125.02272	2.0
127.03828	2.5
138.03171	2.4
147.04485	2.4
149.02293	3.9
151.00293	3.1
153.05473	2.8
159.72968	2.1
161.02359	9.5
163.03905	21.0
164.04654	12.0
165.05423	4.4
166.02632	9.2
173.02333	3.8
175.03900	4.9
176.04666	13.6
177.01917	4.0
177.05344	2.7
178.06296	19.5
179.03418	9.0
179.07050	34.0
181.04964	8.5
188.04684	3.4
191.03412	17.8
191.05498	9.6
191.07095	8.1
192.04169	3.5
193.05008	7.4
193.08647	6.0
194.05792	8.1
203.03421	6.4
205.05061	8.2
206.05794	5.8
207.06528	4.2
208.07251	2.4
209.08055	7.5
218.05775	3.7
219.02919	4.4
221.04457	2.4
221.08144	7.7
234.05301	3.5
235.06049	3.1
236.06827	2.1
237.07607	6.4
238.04732	3.0
246.05258	2.6
247.02454	5.4
247.06212	2.9
249.07590	6.4
250.04790	2.3
251.09192	4.5
262.04739	10.8
265.07150	73.5
266.07663	4.5
277.07153	28.4
295.08206	83.4
296.08557	6.4
325.09235	3.7
355.10309	23.0
374.24326	2.2
383.10001	6.9
401.10876	100.0
402.11212	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.3
63.99731	1.2
68.99706	1.8
69.37405	3.9
69.37815	7.7
71.01247	8.3
73.02812	5.9
81.03307	1.6
83.01253	1.7
83.50581	1.2
85.02808	7.3
87.00748	65.5
89.02304	4.9
97.02831	2.1
101.02310	5.5
102.08762	1.4
109.02847	2.9
113.02335	4.5
119.03381	3.1
121.02873	2.1
123.00780	3.1
131.03326	1.6
135.04407	5.4
137.02382	2.3
138.03181	1.6
149.02335	3.8
151.00273	4.1
151.03931	1.9
153.01788	2.7
153.05438	4.0
161.02335	5.1
163.03918	15.0
164.04712	14.0
165.05476	5.7
166.02652	8.4
173.02379	1.8
175.03900	2.4
176.04730	10.3
177.01901	2.7
177.05472	4.1
178.02583	1.9
178.06239	15.5
179.03497	11.0
179.05594	2.1
179.07045	40.8
180.03992	2.1
180.07385	2.0
181.04982	10.3
187.03995	1.4
188.04726	1.7
189.05446	1.4
190.02722	2.5
191.03421	9.7
191.05484	2.6
191.07079	6.7
192.04102	2.3
193.05002	4.9
193.08527	2.0
194.05798	13.0
195.06387	1.8
203.03412	4.2
205.05005	7.1
206.05811	6.9
207.06557	3.1
209.08119	15.0
218.05809	4.3
219.02937	3.6
219.06477	1.6
220.03781	2.2
221.04466	3.9
221.08168	5.5
231.02946	3.4
234.05275	4.6
235.05887	2.9
237.07600	5.4
238.04836	1.6
247.02425	2.2
247.06122	4.6
249.07605	5.6
250.04744	1.9
251.09299	2.2
261.07681	1.9
262.04794	7.2
264.67471	1.4
265.07156	75.7
266.07440	4.9
277.07159	20.6
279.08881	1.8
295.08212	52.6
296.08533	3.9
325.09198	9.8
337.09369	1.8
339.38776	1.5
341.10916	4.9
355.10147	13.7
357.07974	3.1
383.10001	5.5
401.10892	100.0
402.11304	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.01252	100.0
69.52904	7.2
69.53308	2.4
71.01266	3.3
71.04893	2.0
85.02850	2.8
87.00748	4.7
89.02328	2.4
93.03335	3.2
95.52110	1.3
98.16351	1.1
101.02332	1.8
113.02290	1.2
125.02309	1.3
131.03383	1.9
133.02866	1.7
135.04407	2.8
149.04459	6.3
161.02388	1.8
161.13289	3.6
163.11171	1.5
173.04485	4.0
187.11186	1.4
191.05536	15.0
207.10326	2.1
214.45039	1.3
223.13350	81.6
224.13640	7.3
267.12390	46.3
267.15439	2.0
268.12738	3.7
291.08606	1.6
310.14261	1.3
343.88620	1.2
399.10587	2.0
399.16238	2.4
424.29016	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94630	0.4
57.03322	3.1
59.01249	100.0
59.92051	0.4
60.01585	1.2
69.03342	0.4
71.01254	1.6
71.04888	1.9
73.02821	1.8
83.04900	1.6
85.02827	0.8
85.55534	0.4
87.00764	2.7
89.02318	2.0
93.03345	1.7
97.06474	0.7
101.02303	0.6
108.07297	0.5
113.02350	0.5
125.02307	2.5
130.54254	0.4
131.03381	0.6
133.10132	0.4
134.03688	0.5
135.04430	1.1
135.11699	0.6
149.04460	4.2
151.00261	0.7
161.09647	1.0
161.13263	3.7
163.11166	1.0
173.04463	2.0
178.99747	1.0
179.03436	0.6
187.11224	0.8
191.05540	4.8
205.12277	1.2
207.10193	1.5
223.13351	73.2
224.13663	4.8
242.10176	0.4
242.55379	0.6
267.12387	35.8
267.15408	1.4
268.12610	2.9
271.02423	0.7
273.07596	0.6
287.22232	0.8
334.89859	0.4
341.34198	0.4
399.11078	0.9
399.16248	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.3
58.25628	0.5
59.01250	100.0
60.01593	1.2
61.98712	1.0
62.41521	0.6
63.02266	2.8
65.00203	3.4
69.03306	0.6
69.77232	0.5
70.21625	1.9
71.01264	1.1
72.99190	2.2
73.02811	1.1
81.03355	0.6
83.01264	3.0
83.04896	0.6
85.02834	0.7
91.05391	0.5
92.98602	0.5
93.03348	1.5
95.01270	3.6
97.06461	1.2
99.04390	0.5
107.01263	3.7
107.04915	0.8
108.02084	0.5
109.02826	0.9
109.06525	0.6
111.00775	1.7
113.02309	0.5
121.02865	3.0
123.00797	2.6
123.04389	1.3
124.01572	5.9
125.02330	14.5
125.05978	1.2
126.02679	0.7
135.04427	4.8
135.07961	0.8
137.02342	1.4
137.05974	1.0
139.00299	1.1
145.02814	0.8
147.04436	0.6
149.02350	2.3
151.00259	9.7
152.01059	17.4
153.01697	0.7
159.04385	1.3
161.02350	1.3
163.03941	1.3
164.01057	0.5
165.01840	1.4
169.01260	1.2
177.05498	0.7
178.99776	32.7
180.00185	1.7
181.45474	0.5
183.04407	1.4
185.05945	0.6
187.03886	2.3
191.03473	1.6
191.05383	0.6
192.00534	2.2
193.34285	0.5
201.05478	1.0
205.04976	0.5
207.02887	1.3
211.03957	2.3
212.57384	0.4
213.05243	0.5
215.03401	1.7
216.03990	0.5
217.12390	0.6
227.03459	1.6
229.04993	1.3
249.11259	1.7
255.02953	1.7
256.03491	0.6
257.04547	0.7
261.11230	1.1
267.12473	0.8
273.04047	4.0
274.04663	2.2
279.12369	0.9
283.02478	0.9
284.03281	1.5
285.04224	0.6
297.13416	5.3
301.03534	6.3
302.04236	6.4
313.27301	0.9
320.12607	0.6
339.14700	1.2
371.11292	3.8
381.09918	0.6
399.10788	47.6
400.11215	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	82.4
59.01252	100.0
62.64368	2.0
67.01752	3.1
69.03336	2.0
71.01263	23.0
71.06863	2.1
71.07178	3.8
72.99174	6.0
73.02824	7.3
74.50951	1.9
75.00751	5.6
85.02791	12.8
87.00761	9.8
89.02335	5.4
93.03338	85.9
93.14249	2.1
99.00770	3.6
99.04402	79.1
100.04736	3.1
101.02332	24.6
109.02876	2.9
110.63106	1.9
111.00778	2.1
113.02343	11.3
120.99557	2.4
121.02831	2.5
125.02335	47.4
130.99727	2.8
135.02882	5.0
135.04410	6.9
137.02368	2.8
147.04521	2.4
149.04497	2.3
161.02444	2.3
161.04462	16.3
173.04477	8.8
177.01923	3.2
179.03355	3.1
191.05573	29.2
203.05569	3.3
251.11305	4.4
255.08792	2.6
267.12350	7.5
281.10388	3.8
291.08594	2.5
297.09720	4.5
399.12552	3.3
399.16962	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	100.0
58.03652	2.2
59.01250	97.5
63.96146	1.2
70.80224	1.4
70.80544	3.2
71.01253	22.3
72.99177	3.9
73.02808	5.7
75.00740	4.1
81.03329	3.9
83.01241	3.8
85.02821	13.2
87.00740	6.2
89.02326	4.8
93.03336	90.4
93.58464	1.3
94.03660	3.2
97.02842	1.6
99.00762	2.9
99.04394	96.7
100.04727	1.9
101.02321	26.4
111.00789	1.4
113.02326	7.5
120.99546	6.8
121.02805	1.6
125.02338	50.7
126.02611	1.4
127.03880	1.3
130.99757	1.5
131.52402	1.5
135.02878	4.6
135.04411	3.2
137.02350	2.0
143.03387	3.7
149.04399	2.1
161.02361	5.1
161.04436	15.7
173.04477	7.9
177.01884	1.6
179.03345	2.0
187.07559	1.5
191.05540	16.4
195.05504	1.4
203.05479	4.1
243.08527	1.8
251.11459	2.9
255.08675	4.8
267.12238	2.5
274.51239	1.4
281.10306	3.2
297.09903	3.0
399.12454	1.5
399.16910	2.9
417.27887	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11417	0.5
53.51497	0.5
57.03321	2.1
59.01248	100.0
60.01578	0.6
65.95177	0.5
69.32146	2.8
69.32568	2.0
71.04893	2.6
76.63931	0.5
83.04890	1.0
85.02795	0.7
87.00751	2.0
89.02302	0.7
107.05014	0.5
107.86357	0.6
131.03395	1.1
149.04440	1.4
161.09625	1.1
161.13280	3.1
163.11151	1.2
173.04485	0.9
191.05519	1.7
205.12367	1.2
207.10242	2.1
223.13347	84.5
224.13635	6.1
247.65347	0.5
267.12378	24.1
268.12701	2.3
278.35699	0.5
394.46857	0.6
399.16452	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	100.0
58.03652	2.2
59.01250	97.5
63.96146	1.2
70.80224	1.4
70.80544	3.2
71.01253	22.3
72.99177	3.9
73.02808	5.7
75.00740	4.1
81.03329	3.9
83.01241	3.8
85.02821	13.2
87.00740	6.2
89.02326	4.8
93.03336	90.4
93.58464	1.3
94.03660	3.2
97.02842	1.6
99.00762	2.9
99.04394	96.7
100.04727	1.9
101.02321	26.4
111.00789	1.4
113.02326	7.5
120.99546	6.8
121.02805	1.6
125.02338	50.7
126.02611	1.4
127.03880	1.3
130.99757	1.5
131.52402	1.5
135.02878	4.6
135.04411	3.2
137.02350	2.0
143.03387	3.7
149.04399	2.1
161.02361	5.1
161.04436	15.7
173.04477	7.9
177.01884	1.6
179.03345	2.0
187.07559	1.5
191.05540	16.4
195.05504	1.4
203.05479	4.1
243.08527	1.8
251.11459	2.9
255.08675	4.8
267.12238	2.5
274.51239	1.4
281.10306	3.2
297.09903	3.0
399.12454	1.5
399.16910	2.9
417.27887	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	397.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79268	0.2
52.27399	0.2
54.48016	0.2
58.81946	0.2
59.01245	1.2
60.97406	0.3
69.26624	1.4
69.27042	0.5
71.01247	0.6
71.13497	0.2
76.91315	0.2
77.63906	0.2
82.99276	0.2
90.98466	100.0
91.42330	0.2
91.98814	0.9
139.33522	0.2
151.00256	0.4
151.44258	0.2
221.15559	0.3
240.01152	0.2
265.14514	0.4
397.09317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1086
Annotation	Piscerythrol
Peak:m/z	Relative Intensity
53.15562	0.6
55.66902	0.5
57.03324	7.4
59.01251	26.1
61.98708	1.6
63.02264	4.7
65.00202	4.5
69.03316	0.9
69.53456	2.8
69.53859	1.3
71.01241	1.0
72.99176	1.1
73.02819	0.6
75.32241	0.5
81.03313	0.6
83.01257	5.6
85.02831	1.0
93.03333	1.8
94.04057	0.6
95.01262	8.2
97.02837	0.7
97.06458	1.0
97.37727	0.6
98.19767	0.6
101.02377	0.6
104.42564	0.6
107.01272	7.7
108.02072	1.7
109.02839	1.3
111.00770	4.3
113.02353	0.8
121.02828	3.9
122.03650	1.0
123.00765	5.9
124.01556	14.1
125.02332	35.8
126.02664	1.5
135.04422	2.4
136.01582	1.7
137.02362	2.8
139.00273	4.2
139.03812	0.7
140.01007	0.7
145.02858	1.1
147.00816	0.9
147.04422	1.2
148.01509	0.6
149.02350	2.6
150.03128	1.1
150.99011	0.8
151.00272	26.6
152.01059	45.3
153.01649	2.6
159.04422	2.5
161.02342	1.6
163.00298	0.9
163.03908	1.2
165.01831	1.9
169.01352	2.7
177.05579	0.7
178.99777	100.0
180.00090	4.7
183.04449	1.3
185.05882	0.8
187.03929	2.5
191.03461	2.4
191.05368	0.6
199.03902	0.7
201.05518	1.3
211.03934	2.4
215.03397	2.9
216.04286	1.4
223.16963	0.6
227.03467	3.5
229.04945	1.6
230.05905	0.9
240.04121	1.0
245.04509	0.9
255.03026	2.6
257.04587	1.2
258.05331	2.6
267.16089	0.8
273.04041	8.3
274.04825	8.9
275.05038	0.7
275.51239	0.6
283.02432	1.7
284.03241	3.5
297.13412	1.3
301.03485	8.9
302.04291	14.2
303.04800	1.5
313.27515	4.5
371.11292	8.1
372.11658	1.4
381.09833	1.8
399.10803	86.0
400.11182	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	399.1084
Annotation	Piscerythrol
Peak:m/z	Relative Intensity
57.03322	18.6
59.01254	6.2
63.02272	1.3
65.00197	6.9
66.56227	0.6
67.01761	1.0
68.99673	0.7
69.03331	0.7
71.01247	3.7
71.51001	1.1
72.02061	0.6
73.02822	0.8
78.01950	0.6
81.03322	1.8
83.01253	9.2
85.02816	1.5
87.00757	1.2
89.02316	0.8
93.03362	1.0
95.01273	5.2
97.02882	0.7
97.06484	0.8
99.04368	0.7
101.02295	1.0
107.01279	8.3
109.02844	3.1
111.00770	1.5
113.02374	1.7
121.02853	0.8
123.00762	3.9
123.04459	0.9
124.01563	9.5
125.02335	100.0
126.02669	3.8
133.02893	1.5
134.03625	1.1
135.04391	1.3
135.08063	1.0
136.01563	0.8
137.02338	4.3
139.00266	1.8
139.19612	0.6
140.01152	0.7
141.09100	1.0
145.02846	0.7
146.03677	3.1
150.03165	0.9
151.00273	39.4
151.03827	4.4
152.01067	17.4
153.01843	19.3
159.04390	3.9
160.05130	0.7
161.02333	0.7
161.04434	1.0
165.01854	1.3
169.01324	2.9
172.05225	2.7
173.02306	1.1
173.04459	2.1
173.05962	3.2
174.03172	2.3
174.06726	1.5
175.03926	1.0
175.07568	6.1
177.01848	2.8
178.99783	23.7
180.00134	0.9
181.01338	12.9
182.02074	0.7
185.06058	1.2
186.06798	0.9
187.03915	2.8
187.07523	1.9
188.04677	2.4
189.05428	0.7
189.09109	0.7
190.02667	0.9
191.05495	5.7
191.06975	0.8
193.01366	0.8
199.07529	1.8
200.04753	2.4
201.01837	2.2
201.05511	1.0
201.09203	1.0
202.06236	2.2
203.07056	4.6
204.07600	0.7
207.13922	0.9
213.05531	1.2
214.06207	1.0
215.03447	2.7
215.07054	2.3
216.04158	4.0
217.05008	0.7
217.08603	3.4
224.04816	0.8
225.05573	0.9
225.09242	1.2
226.02658	0.8
226.06291	0.8
227.03407	1.2
227.07108	2.0
229.05046	1.2
229.08669	11.7
230.05812	0.9
230.09042	1.4
239.06993	0.8
240.04201	0.7
243.02936	1.3
244.03751	13.6
245.04092	1.3
245.08171	5.1
247.09677	1.5
251.07317	1.2
253.08688	1.2
255.06554	3.9
266.05664	0.9
267.10492	0.8
267.16049	4.4
269.08237	1.1
271.09796	1.2
273.07681	64.0
274.07996	5.5
279.06638	1.0
299.02084	1.1
302.04187	1.4
308.06735	0.6
309.11432	0.8
311.09210	0.8
312.06311	0.6
312.70731	0.6
313.10895	1.0
327.12573	0.7
337.07397	1.1
337.10834	2.0
340.11923	0.9
353.10327	2.4
355.11978	0.9
363.08823	3.8
371.11337	5.0
381.09778	12.5
382.10037	2.5
385.11591	0.8
392.25519	0.7
399.10706	11.8
399.24460	0.9
400.10275	1.3
400.14664	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	395.1921
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01759	4.6
57.03325	4.0
58.00455	2.2
59.01250	37.1
60.96400	0.6
69.03300	1.4
71.01250	53.3
71.03383	0.6
71.03708	1.7
72.99169	2.5
73.02816	31.2
75.00747	1.9
78.06979	0.6
81.03331	1.0
83.01254	10.7
85.02818	29.6
85.99454	0.6
85.99976	1.7
87.00742	3.6
89.02317	12.8
93.03365	0.9
95.01247	2.7
97.02817	2.3
99.00750	10.7
99.08036	0.8
101.02320	60.7
102.02668	1.8
111.00759	2.2
113.02334	20.8
115.03867	1.6
119.03400	1.1
125.02321	2.9
129.01802	1.7
131.03416	3.1
133.02844	1.6
135.04401	2.9
143.03374	2.7
149.04451	2.2
159.02885	4.5
161.02330	2.9
161.04457	19.2
171.10225	0.6
173.04445	1.4
179.03400	2.2
186.30655	0.6
191.05524	2.6
205.03467	1.1
221.79837	0.6
233.06654	2.4
253.85867	0.6
263.14978	100.0
264.15311	7.6
307.13855	1.0
328.49380	0.6
374.11032	3.5
395.19189	81.3
396.19510	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.1
57.03315	3.7
59.01253	100.0
71.01258	35.8
71.37376	2.3
72.99190	2.5
73.02412	1.3
73.02824	26.1
75.00742	1.4
83.01261	9.5
85.02827	20.3
87.00754	3.1
89.02326	7.9
90.02757	1.2
93.03318	2.1
95.01271	4.0
97.02810	1.3
99.00753	11.7
101.02328	42.7
102.02661	1.7
102.40114	1.1
108.23569	1.4
113.02335	18.0
120.89807	1.1
125.02277	1.2
129.01865	1.4
131.03395	3.0
135.04399	3.3
143.03339	1.2
143.95459	1.2
149.04440	3.3
156.62462	1.1
158.37048	1.2
159.02895	2.7
161.04466	16.2
162.02248	1.1
173.04460	1.6
179.03392	1.9
191.05602	5.7
203.03499	1.4
218.38290	1.2
263.15018	70.6
264.15369	5.1
395.19238	80.4
396.19699	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	397.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09341	0.4
57.22154	0.4
59.01252	2.6
61.98679	0.4
65.00215	0.5
69.16945	1.7
69.17373	3.0
71.01250	1.0
73.02811	0.5
78.95790	0.5
80.69781	0.4
89.02327	0.6
90.98467	100.0
91.92703	0.4
91.98822	0.9
95.04919	0.5
101.02341	0.7
107.01288	0.7
115.22513	0.4
125.02355	1.0
151.00275	1.8
152.99489	0.5
178.99815	0.8
188.04715	0.5
190.28270	0.4
191.10657	0.5
197.86801	0.4
217.08636	0.7
265.14322	0.5
265.39603	0.4
300.02863	0.8
397.09256	5.9
398.09622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85154	1.5
55.01750	1.3
57.03327	100.0
58.03657	1.6
59.01254	91.7
69.54519	9.8
70.48535	1.2
71.01246	10.1
73.02811	4.9
83.04830	1.3
85.02829	6.1
89.02320	2.6
93.03321	2.0
95.01238	1.3
98.19862	1.6
99.04400	82.2
100.04742	2.2
101.02332	24.5
113.02321	4.1
119.04922	1.7
121.02833	2.6
122.03693	2.2
125.02352	27.7
143.03470	1.4
149.02341	4.9
149.04437	1.9
150.03142	14.4
151.03693	1.3
161.04506	3.2
165.05496	18.3
166.99809	2.6
173.04434	2.0
181.04980	1.3
182.02100	5.7
191.05536	5.3
195.06633	11.3
197.04475	10.3
249.13458	18.1
261.13354	1.7
333.11810	1.7
336.37195	1.5
345.13309	1.8
358.14957	1.8
361.90390	1.5
393.17145	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	8.6
57.03321	23.9
58.00461	2.1
59.01248	87.6
67.87238	1.7
69.03311	2.7
69.63341	3.5
69.63744	10.1
71.01252	100.0
72.01598	1.8
72.99191	5.6
73.02819	42.7
75.00756	2.0
79.47458	1.7
83.01258	16.3
85.02820	37.0
87.00757	5.8
89.02317	54.0
91.80356	1.8
93.03344	3.6
95.01253	5.9
97.02822	4.1
97.06432	4.3
99.00757	27.8
99.04395	14.5
99.08018	2.4
101.02321	86.0
102.02660	3.8
111.00744	2.3
113.02328	40.0
115.03876	2.3
119.03392	7.9
119.04904	3.0
125.02319	10.9
125.09614	32.0
126.10056	1.9
131.03418	12.7
134.03662	1.8
143.03389	4.8
149.02197	1.9
149.04448	24.5
150.03102	4.0
159.02879	5.3
161.04489	24.4
165.05475	3.9
173.04512	3.1
173.08183	2.0
175.59233	1.8
187.09703	21.2
191.05540	19.3
233.06575	4.0
261.13419	81.2
262.13773	5.3
289.73486	1.8
393.17606	55.1
394.18027	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	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	0.9
63.12719	0.4
63.93227	0.4
64.77142	0.4
69.39693	3.0
71.01265	0.8
97.06453	0.7
135.04478	0.6
138.46585	0.4
161.02406	0.5
179.03426	0.6
191.05644	0.5
192.51308	0.4
248.53595	0.4
256.93549	0.4
300.65909	0.4
393.23111	1.0
401.93018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41418	23.2
61.33410	21.5
68.78004	23.1
69.51086	71.1
69.51514	100.0
88.85049	23.9
97.73228	20.7
162.63037	23.6
212.42398	23.7
217.17387	22.6
234.78508	26.0
302.78708	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98870	0.2
59.01262	1.9
69.24649	2.2
71.01262	0.6
85.02814	0.4
88.03914	100.0
89.02323	0.3
89.03770	0.3
89.04237	1.9
89.64201	0.2
93.03331	0.5
97.06441	0.4
98.20664	0.5
101.02360	0.5
111.41201	0.2
119.04917	0.3
133.02855	0.3
135.04428	0.9
149.04439	0.4
161.02338	0.5
161.43561	0.2
163.03978	0.4
173.04453	0.6
191.05537	1.7
192.05881	0.4
209.11855	0.3
210.12131	0.4
228.12990	0.3
244.98911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.1
55.66272	0.4
57.03332	2.4
58.00469	1.0
59.01255	30.8
67.90511	0.3
69.03339	0.7
69.46645	2.6
71.01258	39.0
72.01594	0.6
72.99184	1.9
73.02821	21.2
73.55293	0.3
75.00748	1.0
83.01263	7.2
83.01731	0.6
85.02827	18.1
85.24118	0.4
85.99965	0.3
87.00743	2.1
89.02322	7.5
89.35271	0.3
93.03337	0.4
95.01280	2.7
96.18425	0.3
97.02811	2.1
97.06482	0.5
98.20592	0.3
99.00764	8.3
99.08054	0.7
101.02328	41.4
102.02668	1.1
110.75761	0.3
111.00775	1.5
111.08073	0.8
113.02340	16.8
114.02694	0.5
115.03897	1.4
119.03414	0.6
125.02348	2.2
129.01852	0.7
131.03398	2.2
135.04379	0.5
143.03394	2.1
149.04457	1.5
150.03093	0.4
159.02922	3.8
161.04475	19.3
162.04845	0.5
164.04529	0.4
169.08643	0.6
173.04495	0.7
173.08093	0.5
187.09676	1.0
189.14920	0.5
191.05583	1.7
195.06604	0.4
201.11304	1.3
205.03459	1.2
233.06656	2.0
243.12323	0.5
256.87381	0.4
261.13437	77.2
262.13776	4.5
293.08752	0.5
303.14624	0.3
305.12360	0.6
351.20212	2.7
393.17670	100.0
394.18060	10.0
395.97333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85154	1.5
55.01750	1.3
57.03327	100.0
58.03657	1.6
59.01254	91.7
69.54519	9.8
70.48535	1.2
71.01246	10.1
73.02811	4.9
83.04830	1.3
85.02829	6.1
89.02320	2.6
93.03321	2.0
95.01238	1.3
98.19862	1.6
99.04400	82.2
100.04742	2.2
101.02332	24.5
113.02321	4.1
119.04922	1.7
121.02833	2.6
122.03693	2.2
125.02352	27.7
143.03470	1.4
149.02341	4.9
149.04437	1.9
150.03142	14.4
151.03693	1.3
161.04506	3.2
165.05496	18.3
166.99809	2.6
173.04434	2.0
181.04980	1.3
182.02100	5.7
191.05536	5.3
195.06633	11.3
197.04475	10.3
249.13458	18.1
261.13354	1.7
333.11810	1.7
336.37195	1.5
345.13309	1.8
358.14957	1.8
361.90390	1.5
393.17145	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.3
58.00452	1.9
59.01249	55.6
61.98702	1.4
67.54569	1.4
69.03329	3.0
71.01266	3.1
71.49716	1.8
73.02814	1.6
73.84126	1.5
83.04884	3.5
87.79977	1.3
93.03325	1.9
95.36475	1.4
97.02810	2.0
97.06466	2.3
101.02342	2.4
109.06527	2.6
111.08038	45.3
112.08414	2.1
127.07568	2.3
135.04396	2.0
137.09618	1.5
139.26817	1.5
147.11662	2.4
149.09698	1.6
151.11205	4.4
153.12737	2.5
165.12737	7.5
167.10687	1.7
169.12216	9.8
171.10188	1.9
173.08134	2.4
181.12277	2.1
183.13835	2.3
190.22595	1.5
197.11751	100.0
198.12056	5.2
199.13327	4.7
207.10080	3.3
211.13353	11.5
215.10393	3.5
217.08449	1.6
219.09964	94.9
220.10374	5.1
227.12898	2.4
228.00499	1.5
233.11555	43.4
234.11925	3.8
249.13457	2.2
251.11386	6.0
261.10883	2.2
263.20129	4.7
265.17972	3.5
273.18597	1.9
279.10858	2.8
287.16547	3.5
291.19595	19.5
292.20029	2.8
293.12418	11.3
309.20703	89.9
310.20996	10.7
313.17786	2.8
331.18893	37.7
332.19092	4.2
375.17798	5.7
391.20358	12.6
391.25522	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.9
57.03313	1.5
59.01250	63.0
69.42980	7.3
71.01250	13.2
72.20132	0.7
72.99179	0.8
73.02818	70.2
74.03160	1.7
75.00742	0.9
81.03339	0.9
83.01259	2.4
85.02821	8.4
87.00758	2.8
89.02316	4.0
89.39703	0.8
93.03320	5.9
97.06446	1.2
98.19840	1.7
99.00754	2.9
101.02314	12.5
109.06532	1.0
111.04379	1.4
111.08049	1.2
113.02309	7.3
119.03387	1.0
119.04900	3.7
125.09591	3.5
127.07597	1.2
131.03401	1.3
133.02850	1.1
134.26923	0.8
135.04390	3.9
137.02332	1.2
143.06984	1.6
149.04457	3.4
150.03154	1.9
155.03403	1.3
157.08600	1.7
157.78726	0.8
161.02371	1.9
161.04512	4.9
163.03964	2.8
165.05453	2.1
169.08604	2.4
173.04465	4.2
179.03357	1.7
181.12282	1.5
183.10204	3.5
185.10623	0.9
185.84921	0.9
187.07899	1.5
187.09683	28.5
191.05533	15.4
192.05908	1.1
199.13287	7.5
201.11256	35.3
202.11621	2.2
213.09137	1.0
225.11188	1.2
243.12358	10.8
261.13403	100.0
262.13782	5.8
311.59793	1.4
333.19156	1.0
351.20209	9.4
393.12509	2.5
393.17624	39.6
394.11511	0.9
394.18039	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01249	100.0
60.01584	1.2
60.62151	0.5
64.38151	0.5
67.48533	0.5
71.01253	3.2
71.50618	1.0
72.99213	0.6
73.02832	2.0
83.01273	0.8
85.02834	1.2
87.00741	0.5
89.02338	1.0
93.03342	0.6
101.02331	2.2
113.02341	0.5
122.03704	0.5
133.02896	0.6
134.03636	0.9
135.04442	2.2
137.38521	0.4
161.04523	1.1
163.34682	0.4
173.04462	0.5
173.08176	0.7
179.03487	2.2
191.05566	1.4
201.50417	0.4
211.07605	0.6
275.09375	1.0
289.16656	1.6
349.22284	2.7
391.27393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97782	0.5
55.01762	1.6
57.03318	3.2
59.01250	100.0
59.43134	0.5
60.01605	0.7
69.03341	0.6
71.01251	11.1
71.49631	0.6
72.99206	0.5
73.02817	4.7
73.54566	0.5
75.00748	0.9
81.03336	0.8
83.01263	1.6
83.04890	0.6
85.02834	5.1
87.00771	1.6
89.02316	6.8
93.03330	1.5
95.01271	0.8
96.00809	1.9
97.06484	0.8
98.02379	1.7
99.00797	1.8
99.04399	2.2
101.02326	9.3
103.00284	0.6
104.83325	0.7
111.08028	0.9
113.02335	5.1
113.03466	1.3
119.03417	2.6
121.02782	0.7
122.03636	1.7
125.02385	1.3
125.05973	0.7
125.09605	0.7
130.08636	1.6
131.03423	1.0
134.03596	1.0
135.04460	1.3
136.05168	0.8
137.09668	0.9
138.09146	0.7
139.11186	9.9
143.03442	0.9
145.06201	0.8
147.02893	0.9
149.02393	2.0
150.03128	9.1
151.03934	3.0
151.07596	0.5
152.45139	0.5
154.06148	0.7
155.10683	3.3
159.02902	0.6
161.02374	1.0
161.04449	6.0
165.05482	8.2
166.05910	0.5
171.10246	0.9
173.04514	0.6
173.05930	0.6
173.08083	2.9
179.03510	1.1
179.05569	1.1
180.04268	0.9
181.05006	1.8
181.12291	5.0
183.10181	10.2
183.21710	0.6
187.09653	1.2
191.05551	2.3
195.06624	6.5
196.06993	0.7
199.09738	0.9
199.13380	1.9
201.12856	0.8
203.10954	0.9
204.11482	0.6
215.12930	1.8
217.10721	3.3
225.11266	3.1
243.12349	34.7
244.12611	3.0
245.11926	1.0
259.12094	2.7
259.15466	1.6
311.09583	0.7
331.17603	9.8
331.21411	0.8
332.18124	0.6
343.11841	2.3
347.19601	0.6
349.18692	1.2
357.14566	5.2
374.17419	1.8
376.15018	0.7
391.15424	9.5
391.23703	1.4
392.11981	0.7
392.19690	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.5
58.43139	0.2
59.01255	100.0
60.01585	0.7
61.06852	0.3
62.24285	0.3
69.14101	1.3
69.14528	1.9
71.01255	5.0
72.99191	0.4
73.02823	0.8
83.01276	0.3
85.02855	1.3
87.00774	0.3
89.02326	5.8
93.03340	0.4
97.48522	0.3
99.04480	0.4
101.02331	3.6
103.03926	0.3
105.03352	0.3
105.68616	0.3
111.08073	0.3
113.02354	2.4
119.03395	3.5
123.04443	0.3
131.03462	0.6
133.02878	0.9
134.03658	0.4
135.04439	2.3
143.03406	0.6
149.04494	0.5
150.03194	0.6
161.02354	2.3
161.04538	1.2
165.05554	0.6
173.08252	0.7
179.03432	1.6
179.05553	1.1
195.06618	0.4
203.03362	1.6
243.12411	0.6
245.04616	0.4
259.15698	0.4
279.33234	0.3
305.06949	0.5
311.09653	1.2
331.17807	1.0
391.20065	0.4
392.12167	6.2
392.16788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97782	0.5
55.01762	1.6
57.03318	3.2
59.01250	100.0
59.43134	0.5
60.01605	0.7
69.03341	0.6
71.01251	11.1
71.49631	0.6
72.99206	0.5
73.02817	4.7
73.54566	0.5
75.00748	0.9
81.03336	0.8
83.01263	1.6
83.04890	0.6
85.02834	5.1
87.00771	1.6
89.02316	6.8
93.03330	1.5
95.01271	0.8
96.00809	1.9
97.06484	0.8
98.02379	1.7
99.00797	1.8
99.04399	2.2
101.02326	9.3
103.00284	0.6
104.83325	0.7
111.08028	0.9
113.02335	5.1
113.03466	1.3
119.03417	2.6
121.02782	0.7
122.03636	1.7
125.02385	1.3
125.05973	0.7
125.09605	0.7
130.08636	1.6
131.03423	1.0
134.03596	1.0
135.04460	1.3
136.05168	0.8
137.09668	0.9
138.09146	0.7
139.11186	9.9
143.03442	0.9
145.06201	0.8
147.02893	0.9
149.02393	2.0
150.03128	9.1
151.03934	3.0
151.07596	0.5
152.45139	0.5
154.06148	0.7
155.10683	3.3
159.02902	0.6
161.02374	1.0
161.04449	6.0
165.05482	8.2
166.05910	0.5
171.10246	0.9
173.04514	0.6
173.05930	0.6
173.08083	2.9
179.03510	1.1
179.05569	1.1
180.04268	0.9
181.05006	1.8
181.12291	5.0
183.10181	10.2
183.21710	0.6
187.09653	1.2
191.05551	2.3
195.06624	6.5
196.06993	0.7
199.09738	0.9
199.13380	1.9
201.12856	0.8
203.10954	0.9
204.11482	0.6
215.12930	1.8
217.10721	3.3
225.11266	3.1
243.12349	34.7
244.12611	3.0
245.11926	1.0
259.12094	2.7
259.15466	1.6
311.09583	0.7
331.17603	9.8
331.21411	0.8
332.18124	0.6
343.11841	2.3
347.19601	0.6
349.18692	1.2
357.14566	5.2
374.17419	1.8
376.15018	0.7
391.15424	9.5
391.23703	1.4
392.11981	0.7
392.19690	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35323	0.5
52.80589	0.5
55.80141	0.4
57.03330	2.9
58.00489	0.7
59.01249	100.0
60.01582	0.9
62.85067	0.4
63.22811	0.4
65.63580	0.5
67.26283	0.4
69.52104	2.0
69.52531	1.7
71.01254	6.7
72.99178	1.2
73.02827	2.8
83.01248	0.6
83.04906	1.2
85.02815	3.6
85.92992	0.5
87.00749	0.6
87.50843	0.5
89.02315	4.2
93.03314	0.6
95.01258	0.6
97.02836	0.6
97.06457	0.7
98.19902	1.0
99.00787	0.9
99.04408	1.1
101.02313	4.2
111.08033	7.9
113.02341	2.6
119.03430	1.4
125.02399	0.8
131.03458	0.6
133.02885	1.9
134.03638	1.0
134.33032	0.5
134.80368	0.4
135.04417	10.1
135.05446	0.6
149.04512	1.2
150.03123	1.0
161.02386	2.7
161.04408	3.1
171.10226	0.6
173.04605	0.5
173.08099	7.7
173.09499	0.6
179.03398	7.0
181.08727	0.7
191.05608	0.6
215.12842	1.0
259.11874	3.0
269.15753	0.4
273.37250	0.5
311.09506	3.0
331.17648	1.7
349.18887	1.5
368.51575	0.6
391.16116	1.6
391.20288	0.7
392.12201	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03319	2.1
58.00463	1.3
59.01251	100.0
59.12876	0.7
60.01588	1.3
61.98705	1.5
66.60792	0.6
69.03342	1.1
69.29305	4.1
69.29724	2.4
71.01254	38.4
72.99190	2.8
73.02816	15.4
75.00761	1.1
83.01260	6.2
83.04874	0.9
84.92377	0.7
85.02827	13.1
87.00752	10.7
89.02319	12.0
90.92422	0.8
93.03362	0.9
95.01299	2.0
97.02811	1.5
99.00756	4.4
101.02322	26.1
106.84366	0.7
111.00791	2.0
111.04366	0.7
111.08044	0.8
113.02332	13.3
117.17100	0.7
119.03378	5.0
123.04411	0.7
125.02349	1.7
129.01782	0.8
133.02910	0.9
135.04422	3.0
141.09129	15.9
142.09505	1.0
143.03415	1.7
143.10706	4.0
149.04485	1.1
153.12769	1.5
159.02940	1.9
161.02373	2.0
161.04443	11.8
161.05672	0.9
167.10753	2.0
169.12216	1.3
173.04507	1.2
179.03514	2.7
179.05592	0.8
185.11874	0.8
187.09714	0.9
187.13330	1.6
191.05574	2.2
203.05617	0.7
259.15558	2.0
259.19229	2.9
260.51639	0.8
283.15652	1.1
301.16620	1.0
306.52628	0.8
309.49591	0.7
331.17596	6.0
349.18646	23.1
350.19125	2.0
391.19803	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
55.58568	0.7
57.03312	0.9
59.01250	100.0
60.01583	1.2
69.66618	5.2
71.01264	3.9
73.02827	2.0
83.01268	1.5
83.29578	0.8
85.02827	2.4
89.02334	1.7
97.06499	1.5
101.02315	2.2
111.08050	3.3
113.02349	1.5
135.04414	3.5
149.04471	1.3
157.03070	1.0
161.02390	1.6
161.04443	1.9
173.04480	1.9
173.08107	3.8
179.03413	3.0
185.08090	1.3
191.05530	2.2
226.73422	0.8
259.11826	6.2
291.19553	0.8
331.13977	1.0
331.17624	3.2
391.15991	1.5
392.12170	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39524	0.5
55.01746	0.7
57.03331	1.0
58.00462	1.6
59.01249	100.0
60.01575	1.2
69.03303	0.6
69.24989	0.5
69.67037	1.2
69.67445	2.4
71.01254	15.2
72.99181	2.0
73.02821	3.9
83.01260	1.6
83.04890	0.8
85.02822	5.9
86.18170	0.5
87.00751	1.7
89.02314	11.2
91.05392	0.6
93.03342	2.4
95.01258	1.4
96.38502	0.5
97.02823	0.9
98.19828	0.6
99.00763	1.5
99.04398	1.2
101.02325	9.9
103.03909	1.0
107.04948	2.6
109.02852	1.0
109.86375	0.6
111.00771	0.6
111.08035	6.6
112.08387	0.7
113.02324	6.0
119.03376	5.1
121.02825	1.1
123.04417	1.3
125.02323	2.6
131.03418	0.8
133.02847	7.0
134.03609	5.1
135.04413	44.3
136.04753	0.9
137.02371	1.0
143.03421	1.1
149.02368	0.9
149.04501	2.4
150.03085	2.8
151.03819	0.7
155.10643	0.6
161.02353	15.0
161.04355	3.0
163.03876	0.9
165.05444	0.7
173.04507	1.6
173.08109	8.4
178.02658	1.8
179.03406	34.7
188.07097	0.7
191.05537	12.4
193.06168	0.7
199.09662	0.7
203.03516	0.7
215.08228	0.8
215.12869	1.6
232.06061	1.1
241.06071	1.0
247.41400	0.5
259.11987	2.7
310.59155	0.9
311.09570	12.0
311.12912	0.9
331.17612	2.4
343.11948	1.2
349.18890	1.5
353.08786	1.6
391.15952	1.4
391.19958	1.0
391.61990	1.2
392.12170	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88310	3.3
59.01251	100.0
60.67716	3.2
66.83798	3.2
71.01256	4.4
71.02441	4.3
73.45415	3.5
79.95625	5.7
80.96384	18.3
90.22739	3.3
94.97972	4.7
98.19766	6.9
112.49044	3.1
121.67750	3.9
164.98586	4.7
197.11807	9.2
225.00679	6.0
250.23473	3.6
255.23183	17.5
299.04428	8.2
389.18976	14.7
389.69226	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00900	6.6
59.01252	100.0
71.17163	6.7
71.61107	7.2
160.82851	7.1
191.97208	7.6
218.22165	7.5
255.90645	8.9
336.94788	7.2
365.08188	8.0
380.50412	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	391.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	68.1
58.03665	1.5
59.01249	100.0
60.01588	1.8
69.03329	1.2
69.92185	4.8
71.01250	13.8
72.99175	1.7
73.02818	4.8
81.03307	1.4
83.01262	1.8
83.04891	2.4
85.02822	7.4
87.00748	2.5
89.02308	13.1
93.03341	1.7
95.01267	1.8
99.03731	2.6
99.04391	52.1
101.02317	17.9
107.04896	2.5
111.08033	18.1
113.02319	9.8
119.03369	4.4
123.04447	2.5
125.01473	1.7
125.02338	21.3
129.09058	1.3
131.03416	1.2
133.02847	4.2
134.03659	1.9
135.04408	29.6
137.02342	1.1
143.03362	2.1
149.04451	16.1
150.03134	2.4
155.10605	1.0
161.02374	9.1
161.04453	2.2
165.05431	2.6
171.10258	1.6
173.08099	24.8
178.02541	1.4
179.03404	20.4
179.05106	2.1
179.05582	2.5
191.05495	3.9
192.13141	1.1
195.06502	1.4
197.11810	2.9
215.12810	16.7
216.13248	1.6
238.06667	1.2
243.12355	1.9
247.11826	1.5
259.07114	1.7
259.11935	2.8
259.15268	1.3
310.59113	6.3
311.09540	55.3
391.15958	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	389.2549
Annotation	bhos#24
Peak:m/z	Relative Intensity
57.03328	22.8
59.01257	5.6
59.54888	0.4
61.64872	0.4
61.98691	1.1
69.03328	1.2
69.30851	3.7
71.01261	2.2
71.04891	1.3
73.02825	1.6
79.05421	0.7
83.01260	0.4
83.04886	1.4
85.02821	4.3
86.58657	0.4
87.00761	4.0
87.04400	0.9
89.02329	2.3
93.06977	21.9
94.07321	1.0
95.04904	0.6
97.06475	2.4
98.20547	0.8
99.08038	0.7
101.02346	1.1
104.80611	0.4
110.14079	0.4
111.08039	2.5
113.02319	0.9
113.09608	0.6
115.03912	3.5
117.01842	0.5
119.04964	0.6
121.02870	0.8
123.08061	0.7
127.11141	1.2
131.03357	1.0
133.02821	0.4
135.04408	0.8
137.02342	1.1
137.06046	0.5
137.09625	4.8
145.02861	0.7
147.04442	0.8
149.02245	0.4
149.04459	5.3
151.11232	0.5
153.01843	0.8
154.84956	0.4
155.10696	10.3
156.11040	0.5
161.02399	0.5
161.04492	0.8
163.03889	0.9
171.04448	0.9
174.03157	1.1
175.03947	4.0
176.04694	1.3
179.03476	0.9
180.04195	1.6
185.53867	0.5
187.07628	0.9
188.04723	0.6
189.05492	1.6
190.06268	3.4
191.05492	0.9
191.07050	2.7
192.04224	0.6
193.04897	1.9
194.05811	0.7
198.06844	0.7
199.13234	0.6
205.08676	2.5
207.06543	0.9
208.07295	1.7
213.09164	4.9
231.10240	7.9
232.10471	0.6
255.19643	1.3
257.08133	17.9
257.10394	2.4
257.17401	1.0
258.08505	1.9
285.20712	7.2
286.21274	0.8
290.51202	0.5
325.23795	2.9
351.76019	0.4
359.10663	0.9
359.15027	10.5
359.24268	0.7
360.15265	1.5
371.24390	5.3
372.24771	0.6
389.25473	100.0
390.25824	12.1
390.30298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
54.86103	0.6
55.01768	3.6
57.03334	4.2
58.00474	5.6
59.01254	98.7
60.01592	1.3
69.03338	1.0
69.48211	5.1
71.01257	100.0
71.04893	5.1
72.01579	1.4
72.99177	8.5
73.02818	14.2
75.00752	1.8
83.01257	6.7
85.02828	28.9
87.00743	4.4
89.02322	66.4
90.02615	1.0
95.01265	7.6
95.04929	0.7
97.02799	1.7
97.06439	0.9
98.03611	1.4
99.00761	7.0
101.02328	51.9
102.02638	1.4
109.06461	1.9
113.02335	37.8
113.05938	0.8
114.02647	0.8
115.03853	1.2
116.63712	0.8
119.03395	28.0
120.03616	1.1
123.08044	2.1
124.05157	1.8
125.02312	1.6
127.07541	4.5
129.01807	1.0
131.03337	2.9
137.02277	1.2
137.09567	2.6
138.06694	1.6
139.07576	6.7
141.09032	2.6
143.03398	4.8
143.07076	1.0
149.04376	2.2
151.11110	0.8
153.09102	6.3
155.10686	17.6
156.10988	1.1
159.02811	3.1
161.04480	17.8
173.04279	0.8
179.03377	2.2
179.05513	4.9
191.05399	0.8
194.05550	1.0
205.03395	0.9
209.08134	1.1
209.11972	0.8
209.15245	1.4
227.16486	24.9
228.16855	1.6
257.10202	1.0
331.69699	0.8
389.21909	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	389.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50050	1.2
55.01760	2.1
57.03312	2.6
59.01252	63.1
66.74387	1.3
69.03321	1.8
71.01253	36.2
71.49809	1.9
72.01580	1.7
72.99184	2.2
73.02821	16.4
83.01270	6.7
83.04873	2.4
85.02819	16.8
87.00745	3.6
89.02312	15.3
93.03341	9.0
95.01251	4.0
97.06474	1.7
99.00760	5.1
99.04375	1.6
101.02329	26.6
108.02059	1.6
109.02892	1.8
109.06437	1.3
111.04393	2.0
113.02319	14.4
117.03342	1.8
119.03367	5.6
121.02850	24.5
122.03654	13.0
125.02326	2.6
133.02812	5.6
134.03636	67.1
134.04668	3.3
135.04512	8.0
137.02327	10.2
139.03923	2.5
143.03362	2.2
149.02350	45.7
149.04362	2.2
149.04756	2.3
149.05981	16.9
150.03133	100.0
151.03661	3.0
155.10725	2.2
155.76569	1.3
159.02893	1.7
161.04453	15.4
164.04701	5.4
165.05479	95.0
166.05882	3.4
168.27094	1.6
169.12180	2.3
173.04488	2.0
178.02626	29.8
179.03340	5.0
180.04156	5.0
191.05455	11.6
193.04991	96.0
194.05339	5.6
195.06555	48.4
195.10458	1.6
196.06880	2.6
221.06073	2.2
227.12598	1.7
228.32985	1.5
234.06778	2.1
239.07050	3.6
249.05692	2.0
250.06360	1.9
257.13873	3.1
267.06573	4.6
282.09033	10.4
288.40717	1.4
297.11212	1.9
300.02277	1.5
341.10315	43.2
342.10620	4.4
347.17102	10.2
389.13422	2.4
389.17444	7.2
389.21826	3.8
389.25616	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	389.1242
Annotation	Prinsepiol
Peak:m/z	Relative Intensity
54.47746	3.3
59.01247	39.6
61.98702	6.9
67.01781	8.0
69.03323	4.1
70.63712	7.4
71.01248	11.9
72.99173	6.4
73.58803	2.9
77.28330	3.1
83.01264	5.6
85.02825	6.3
87.00767	16.6
89.02319	12.9
93.03363	10.5
95.01247	28.3
97.02849	5.8
97.06435	3.2
99.00742	4.0
101.02306	5.5
103.38216	3.1
108.02052	13.9
109.02843	14.7
111.00767	11.9
119.04927	6.6
121.02845	13.1
123.00776	57.5
123.04397	24.2
124.01568	5.5
125.02361	15.4
128.99759	3.2
133.02856	5.0
133.06609	4.7
134.03607	7.0
135.04417	10.6
136.01549	37.9
137.02328	19.4
138.03136	15.6
139.00259	31.8
139.03897	3.6
140.01143	6.5
141.01886	4.6
146.03636	5.2
147.04424	13.4
149.04526	3.7
149.05942	5.0
151.00218	3.6
151.03909	59.1
152.01056	12.8
153.01842	13.2
154.02605	13.3
155.03410	11.4
159.04414	7.5
160.05264	8.4
161.02383	8.6
161.04657	3.5
161.05988	14.9
162.03128	10.7
163.03889	9.3
165.01799	3.4
167.03441	23.1
169.01230	3.1
171.04413	4.4
172.05313	4.0
173.04561	3.3
173.06035	5.3
175.03960	6.8
175.07568	7.5
176.04803	8.0
177.01888	8.0
177.05473	7.4
178.02673	5.7
179.03430	9.0
179.07074	4.9
185.06000	13.6
186.06645	4.2
187.03871	5.8
187.07571	7.3
188.04733	9.5
189.05466	7.8
191.05522	9.3
191.07039	4.8
194.02095	10.0
199.16666	3.6
201.75749	3.3
202.06097	3.2
203.07063	8.4
205.04913	5.2
214.06282	7.3
215.07069	6.5
218.05899	3.5
225.05591	4.3
227.07100	4.1
229.08649	10.3
255.10120	4.3
257.08255	5.3
257.17627	4.8
269.40829	3.3
271.02475	7.9
271.09424	3.2
275.09088	4.7
283.13327	5.4
295.09830	5.5
299.01999	10.5
300.02750	5.9
307.73911	3.3
311.13092	4.1
313.10806	8.0
317.10223	7.1
327.08640	4.7
327.15976	6.5
329.10437	19.5
330.10837	4.1
357.09796	31.0
359.11282	10.1
374.09982	25.3
389.12399	100.0
389.17172	6.7
390.12646	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	389.1241
Annotation	Apigeniflavan 5-O-xyloside
Peak:m/z	Relative Intensity
53.50050	1.2
55.01760	2.1
57.03312	2.6
59.01252	63.1
66.74387	1.3
69.03321	1.8
71.01253	36.2
71.49809	1.9
72.01580	1.7
72.99184	2.2
73.02821	16.4
83.01270	6.7
83.04873	2.4
85.02819	16.8
87.00745	3.6
89.02312	15.3
93.03341	9.0
95.01251	4.0
97.06474	1.7
99.00760	5.1
99.04375	1.6
101.02329	26.6
108.02059	1.6
109.02892	1.8
109.06437	1.3
111.04393	2.0
113.02319	14.4
117.03342	1.8
119.03367	5.6
121.02850	24.5
122.03654	13.0
125.02326	2.6
133.02812	5.6
134.03636	67.1
134.04668	3.3
135.04512	8.0
137.02327	10.2
139.03923	2.5
143.03362	2.2
149.02350	45.7
149.04362	2.2
149.04756	2.3
149.05981	16.9
150.03133	100.0
151.03661	3.0
155.10725	2.2
155.76569	1.3
159.02893	1.7
161.04453	15.4
164.04701	5.4
165.05479	95.0
166.05882	3.4
168.27094	1.6
169.12180	2.3
173.04488	2.0
178.02626	29.8
179.03340	5.0
180.04156	5.0
191.05455	11.6
193.04991	96.0
194.05339	5.6
195.06555	48.4
195.10458	1.6
196.06880	2.6
221.06073	2.2
227.12598	1.7
228.32985	1.5
234.06778	2.1
239.07050	3.6
249.05692	2.0
250.06360	1.9
257.13873	3.1
267.06573	4.6
282.09033	10.4
288.40717	1.4
297.11212	1.9
300.02277	1.5
341.10315	43.2
342.10620	4.4
347.17102	10.2
389.13422	2.4
389.17444	7.2
389.21826	3.8
389.25616	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22997	27.8
59.01239	100.0
71.01246	56.1
71.49553	43.3
71.49936	39.1
89.02264	53.0
89.30553	29.6
111.41326	25.2
113.55231	29.1
120.24401	27.2
136.01459	31.3
162.46576	30.1
166.55618	31.5
246.57721	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	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
63.58435	4.2
64.11421	4.1
77.52027	5.5
136.01549	4.8
209.36601	4.2
225.14864	5.5
414.99103	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	389.1243
Annotation	Apigeniflavan 5-O-xyloside
Peak:m/z	Relative Intensity
57.03299	0.4
59.01250	8.3
69.03315	0.5
69.53036	1.4
69.53440	0.6
71.01255	3.8
71.04856	0.8
73.02818	1.8
80.44014	0.3
81.03313	0.3
83.01246	0.5
83.04875	0.6
85.02805	1.2
87.00722	1.0
87.04353	0.4
89.02319	6.0
93.03335	0.3
97.06448	0.6
99.78371	0.3
101.02358	1.6
109.02789	0.7
113.02311	1.2
115.03875	0.9
115.05383	0.9
117.03321	0.4
117.28304	0.3
119.03286	0.3
121.02819	0.4
125.09554	0.5
131.03383	1.4
133.02835	2.3
135.04361	1.4
143.04895	0.8
149.03328	0.6
149.04463	9.8
157.10114	0.7
157.12163	0.4
161.02339	3.9
161.04446	0.7
162.02686	0.5
163.03854	0.9
167.03464	0.4
167.04951	0.3
169.10118	1.1
171.04462	4.0
171.10158	0.6
172.05176	2.4
173.04372	0.4
174.03102	0.6
175.03877	0.9
176.01645	0.4
177.04010	0.4
178.02565	0.3
179.03433	2.0
183.04385	0.9
184.05238	2.6
185.05962	0.4
187.03922	0.8
187.07581	2.9
187.11154	0.7
189.03900	0.8
189.05473	1.1
191.05524	0.6
195.08099	0.3
197.05923	1.7
198.06830	2.5
199.13283	1.0
201.05460	0.5
201.09082	0.7
211.07608	0.5
212.08330	1.0
213.09146	34.7
214.09521	2.9
220.04086	0.3
227.07022	0.7
229.08629	0.4
230.05766	0.5
231.10223	38.3
232.10603	2.9
245.08217	0.5
247.05508	0.7
257.08170	100.0
258.08508	10.3
258.10623	0.2
321.01840	0.3
329.10233	0.5
329.23419	0.3
347.17191	0.4
367.09952	5.4
367.60077	1.4
368.10168	0.6
371.24530	0.4
374.09937	0.5
389.12244	1.6
389.17389	0.5
389.25516	13.2
390.25793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01755	3.5
57.03321	4.0
58.00467	5.1
59.01250	100.0
60.01596	1.0
63.96112	0.6
69.03345	0.8
71.01254	85.4
71.49841	0.8
72.01604	1.4
72.99181	6.8
73.02821	10.9
73.03208	1.1
75.00751	1.6
83.01256	7.4
83.04916	0.9
84.02045	0.6
85.02823	23.6
86.32132	0.6
87.00749	5.1
89.02317	65.5
90.02654	1.5
93.03349	0.8
95.01264	5.5
97.02845	1.6
98.80122	0.6
99.00751	4.9
101.02323	54.9
102.02707	1.0
108.91686	0.5
111.00758	0.9
113.02330	30.6
114.02682	1.2
119.03395	29.2
120.03743	0.8
120.24816	0.5
120.99532	2.4
123.04412	1.0
123.08003	0.9
125.02372	1.7
125.11010	0.5
129.01862	0.8
131.03377	2.5
135.04422	0.9
136.05220	1.3
138.06720	1.0
139.00276	0.7
143.03400	6.1
149.04471	4.2
151.07535	1.9
152.08322	9.0
153.01852	2.4
153.09146	3.3
155.09647	0.6
159.02910	3.2
161.04466	13.6
163.11238	1.7
165.05569	0.5
167.03323	0.9
168.04198	2.2
179.05527	6.7
183.06581	1.5
191.05548	1.3
205.03531	0.6
207.13875	1.2
210.12636	0.7
225.11514	0.6
225.14893	6.6
279.90002	0.6
345.59177	0.6
372.17950	1.0
380.89185	0.6
387.20270	55.1
388.20712	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51982	0.5
53.56962	0.6
55.37804	0.6
57.03319	1.5
58.00461	0.6
59.01254	7.9
69.21194	3.2
69.21619	2.9
69.79079	0.6
71.01252	8.1
72.02029	0.7
73.02817	92.1
73.31699	0.6
74.03146	1.0
76.99641	0.5
80.96387	5.1
85.02834	1.8
85.60327	0.6
87.04385	2.3
89.02293	1.0
93.03296	0.7
97.06489	0.7
101.02316	1.5
107.03648	3.1
111.08019	0.9
113.02282	0.6
117.29407	0.6
120.99503	0.8
122.06012	17.6
122.99117	0.8
123.06335	0.9
123.08058	2.4
125.02408	0.8
129.09090	0.6
130.02847	1.0
131.03496	3.3
132.04405	3.5
133.02885	0.9
134.03629	0.8
134.05956	0.7
135.04396	3.0
137.02385	0.8
146.05962	0.8
147.03082	0.6
149.13264	0.8
152.07080	30.6
153.07422	1.3
158.02377	4.5
160.03928	0.7
161.02393	0.7
161.04391	0.9
162.05518	1.4
163.11147	0.8
164.41148	0.6
173.04451	0.8
175.14871	1.4
176.03375	0.9
177.05470	0.8
178.02643	1.2
179.03381	2.1
181.12267	7.3
190.05017	17.0
191.05467	2.0
193.15929	2.6
203.07060	0.8
205.04967	0.8
211.16991	0.6
221.08139	1.0
222.07655	13.6
222.09827	0.8
223.08006	1.1
225.11258	0.9
225.14900	0.8
255.15984	100.0
256.16342	8.5
327.09048	1.1
345.22751	0.9
355.12863	1.7
387.11218	2.4
387.15530	24.3
387.20251	8.6
387.24011	2.1
388.15848	4.0
388.20297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84676	0.6
55.41787	0.5
57.03315	1.8
59.01252	8.0
69.03345	0.8
71.01257	6.5
71.04893	0.6
72.02042	1.4
73.02817	77.1
74.03170	1.0
80.41660	0.5
80.96404	0.5
83.04881	1.0
85.02820	1.1
87.00747	1.2
87.04380	3.4
89.02328	1.3
93.03328	1.3
97.06458	1.3
101.02317	1.8
111.08032	0.9
111.71289	0.5
113.02348	0.7
123.08048	3.1
131.03394	2.3
133.02827	1.0
135.04388	2.1
136.01515	0.7
137.09615	0.9
149.04414	1.1
151.03879	0.7
161.09616	0.9
166.02589	0.8
167.10858	0.6
175.14822	2.0
177.01848	1.2
179.03383	1.3
181.12245	4.6
191.05545	1.8
193.04843	0.5
193.12256	0.5
193.15916	3.4
209.15414	1.1
211.13301	0.9
225.11293	1.8
227.06982	0.7
232.77872	0.6
255.15991	100.0
256.16327	7.8
294.98700	0.6
387.15030	1.1
387.20145	7.6
387.24084	1.4
388.20517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00448	2.5
59.01253	100.0
59.86974	0.9
61.74076	1.0
71.01257	32.1
71.49335	1.2
72.01556	1.1
72.99181	3.9
73.02811	4.5
74.25207	1.0
82.23481	1.0
83.01261	2.9
83.04877	1.2
85.02821	7.2
87.00738	2.0
87.97407	1.1
88.98038	1.0
89.02320	32.1
90.98469	2.3
95.01257	2.9
99.00773	1.6
101.02322	20.5
113.02331	11.1
119.03394	12.6
119.04859	1.2
136.05215	1.3
141.14980	1.1
143.03377	1.5
146.92456	1.0
153.01852	2.6
161.04471	3.6
163.11217	5.5
166.05144	1.2
168.04227	2.1
179.05551	2.3
181.05008	1.0
183.06500	1.6
188.52098	1.0
191.05533	1.2
195.06630	4.3
206.02719	1.0
207.03012	2.1
207.10194	12.2
208.02254	1.1
255.08772	1.3
266.91608	1.0
269.10297	4.2
387.16608	88.9
388.16998	9.3
402.15811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01757	13.7
57.03309	7.5
58.00473	3.3
59.01249	64.8
71.01253	100.0
71.50722	3.5
72.01592	2.7
72.99158	5.4
73.02818	40.7
74.54963	1.8
75.00732	2.2
83.01263	22.3
85.02819	54.6
85.99953	4.3
87.00759	5.5
89.02305	14.4
93.03317	3.2
95.01256	8.6
96.94159	1.9
97.02815	3.2
97.06475	3.7
99.00746	13.7
101.02323	93.4
102.02644	2.6
111.00790	3.2
112.69112	2.2
113.02328	45.8
119.03395	3.8
125.02287	2.6
129.01852	2.2
133.02824	2.3
135.04465	2.0
136.01567	6.6
143.03363	3.9
150.57294	1.9
151.00264	2.8
151.03873	6.9
159.02904	7.7
161.04448	27.1
166.02585	3.6
179.03442	3.5
181.04970	5.7
191.05592	4.0
216.40599	2.2
227.07022	3.2
238.98151	2.1
242.55287	2.4
251.16354	2.4
255.06494	2.7
255.16064	5.1
343.21298	11.8
387.14691	5.6
387.20178	86.9
387.27728	3.4
388.20624	10.5
413.77753	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	2.2
59.01250	51.0
69.97205	3.7
69.97615	3.5
71.01249	28.8
72.99177	5.7
73.02812	2.2
74.36637	1.1
83.01244	2.8
85.02817	5.6
87.00739	1.6
89.02313	26.0
90.88612	1.6
93.03304	7.0
95.01247	1.9
95.04890	2.5
98.19867	1.9
101.02329	19.1
113.02312	9.3
119.03389	11.1
119.52332	1.4
121.02809	2.9
123.04389	3.4
125.02349	2.3
127.44344	1.3
128.39268	1.3
130.70966	1.8
137.02370	3.5
145.02797	1.3
149.02299	4.2
149.04506	2.6
151.03899	3.7
153.01775	1.9
163.11157	2.0
166.02641	1.4
173.04451	4.0
177.01846	48.3
178.02477	2.9
181.04971	1.4
191.03731	1.7
191.05539	12.1
192.04216	62.2
193.04709	5.6
206.41499	1.3
207.06566	100.0
208.06915	4.7
215.94974	1.4
387.12814	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	387.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
70.07476	2.2
71.01244	0.9
78.24300	0.5
89.02322	0.7
93.03333	0.5
94.70493	0.4
105.03351	0.8
107.04900	1.2
121.02849	1.9
123.04426	0.8
135.04419	12.4
137.02371	0.9
145.02777	0.7
147.59766	0.5
149.02356	4.1
151.03908	3.1
152.04742	1.0
161.02359	9.7
162.03096	1.6
163.03931	25.2
164.04707	100.0
165.05101	4.1
167.07063	0.6
176.04698	7.1
177.01863	6.5
177.05437	2.1
178.02673	0.8
178.06270	9.6
179.01849	1.2
179.03448	22.5
179.07056	47.6
180.03748	1.1
180.07407	2.1
187.07584	0.5
191.07074	5.5
192.04211	5.8
193.04922	2.7
194.05774	17.0
195.06096	0.6
205.04898	0.6
207.06567	6.7
208.06895	0.6
209.08141	49.8
210.08551	2.7
327.12057	0.6
369.13379	1.1
387.14664	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	387.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01251	22.5
61.98704	1.6
62.41965	1.6
69.03342	1.7
70.81740	4.7
71.01282	3.7
72.63158	1.9
73.02814	6.4
80.47475	1.5
80.96398	9.5
84.35669	1.6
85.02811	3.6
87.00777	1.9
89.02321	2.0
93.03354	2.5
97.06461	2.7
101.02315	3.4
102.80917	1.8
109.02844	2.5
113.02284	1.8
120.99544	4.6
122.99111	7.3
123.00757	6.4
135.04395	4.7
137.02377	10.5
138.03134	11.3
145.02921	2.0
145.06467	1.8
146.03616	2.5
147.04424	4.2
147.05478	1.9
148.05200	8.8
149.04607	1.7
149.05968	9.1
149.09601	3.5
151.03880	2.0
153.05464	24.6
158.03629	2.4
159.04425	16.3
160.05212	20.1
161.05916	6.2
162.03120	6.2
165.01910	9.1
174.03127	7.6
175.03902	2.6
175.07515	7.7
176.04692	4.5
177.05487	100.0
178.06273	26.4
179.03378	6.5
180.04207	5.7
181.12204	4.0
187.03943	12.7
188.04742	16.1
191.05475	4.2
191.07059	28.6
192.04219	3.5
192.07816	7.3
193.08556	3.4
194.05766	2.6
195.06529	3.5
201.05537	1.7
202.06375	1.7
203.07080	74.5
204.07477	4.3
205.04984	2.7
206.05786	19.6
210.05290	8.7
219.34427	1.8
220.07323	5.6
221.08145	80.4
222.08488	4.1
224.06871	24.1
225.07350	1.9
225.11388	3.9
249.05444	2.6
255.15993	4.4
311.09222	3.0
313.10855	4.2
327.08972	3.4
329.14011	3.0
339.08643	6.2
341.13745	2.8
343.11841	5.7
354.11002	3.1
357.13449	8.9
369.13416	22.9
387.10223	3.8
387.14966	25.2
387.23712	9.4
388.14856	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	385.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.42557	1.3
63.70029	1.5
68.94666	1.8
71.01244	2.7
87.19232	1.6
96.95893	1.7
170.44846	1.5
209.15306	2.3
222.70045	1.5
223.09711	1.6
253.14314	2.0
285.32068	1.8
385.25980	7.8
385.30084	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01248	18.2
59.57575	1.3
63.90393	1.5
66.96295	1.3
70.59583	4.3
71.01254	3.5
85.02890	1.4
86.78184	1.2
89.02335	5.3
91.03886	11.1
99.08035	1.9
106.06268	1.3
107.01260	1.8
113.09592	3.1
129.09135	5.1
139.11180	1.9
151.00243	1.6
163.58699	1.3
169.12292	2.4
171.10182	5.0
173.23561	1.3
174.21547	1.4
181.12302	4.3
183.13811	1.8
193.12321	2.2
196.00169	1.2
197.11781	9.8
199.13306	4.6
211.13347	17.3
287.04861	2.5
288.05310	2.8
293.21271	12.9
311.22278	100.0
312.22653	10.9
385.12192	2.3
385.26041	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01248	18.2
59.57575	1.3
63.90393	1.5
66.96295	1.3
70.59583	4.3
71.01254	3.5
85.02890	1.4
86.78184	1.2
89.02335	5.3
91.03886	11.1
99.08035	1.9
106.06268	1.3
107.01260	1.8
113.09592	3.1
129.09135	5.1
139.11180	1.9
151.00243	1.6
163.58699	1.3
169.12292	2.4
171.10182	5.0
173.23561	1.3
174.21547	1.4
181.12302	4.3
183.13811	1.8
193.12321	2.2
196.00169	1.2
197.11781	9.8
199.13306	4.6
211.13347	17.3
287.04861	2.5
288.05310	2.8
293.21271	12.9
311.22278	100.0
312.22653	10.9
385.12192	2.3
385.26041	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	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25090	0.3
55.01757	2.4
57.03325	3.5
58.00468	2.6
59.01254	54.8
60.01607	0.6
60.91482	0.3
67.01776	0.3
68.99697	0.5
69.03349	1.4
71.01257	74.4
71.49338	0.5
72.01593	1.0
72.99188	4.5
73.02821	12.2
75.00759	1.1
83.01263	4.8
83.04905	1.0
84.02039	0.4
85.02827	23.1
86.03162	0.5
87.00759	2.8
89.02322	34.2
90.02637	0.7
93.03338	0.5
95.01266	5.1
95.04889	1.9
97.02830	6.9
99.00759	5.3
101.02327	35.8
102.02676	0.8
105.06986	1.7
107.04916	0.7
107.55425	0.3
108.05703	2.1
109.02845	0.7
109.06479	2.0
111.00774	0.5
111.04413	1.4
111.08067	0.5
113.02336	28.8
113.05975	4.4
114.02666	0.7
115.03954	0.4
119.03395	11.3
119.04871	0.4
120.03728	0.4
120.99565	0.7
121.02832	0.3
121.06505	0.6
122.03624	2.0
123.08064	4.7
125.02350	1.1
125.05984	2.5
129.01813	0.7
131.03383	1.6
135.04440	1.1
135.08072	1.1
136.05212	3.6
137.06027	2.0
137.09566	0.3
138.06773	23.8
139.07570	11.3
143.03406	3.1
147.08022	0.8
149.02322	0.4
149.04475	0.8
149.06003	1.6
151.07562	24.1
152.04753	3.5
152.05548	0.2
152.08347	48.1
153.09125	100.0
154.09459	5.4
159.02896	5.1
161.04472	19.8
161.05853	0.7
161.09663	0.7
162.04752	0.6
163.03951	0.5
163.11214	4.1
164.11533	0.4
165.09108	2.3
167.07039	2.3
173.04605	0.3
179.05582	2.9
179.10754	0.3
179.48268	0.3
187.11220	0.8
189.09126	1.5
190.09949	2.2
191.05486	0.5
193.01469	0.3
205.03520	0.9
205.12288	32.5
206.12611	2.6
209.02716	1.2
223.06177	0.4
223.13359	17.9
224.13757	1.4
229.12253	0.3
247.13335	0.3
271.17322	0.3
304.06909	0.9
380.00543	0.4
385.18793	7.6
386.19055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61942	1.2
57.03321	4.0
58.00461	1.7
58.26095	1.2
59.01250	42.4
69.03345	1.6
71.01256	32.0
72.99176	1.8
73.02819	6.6
75.00726	2.0
83.01260	2.2
83.04861	2.0
85.02839	6.8
87.00755	1.5
87.04402	1.7
88.53259	1.4
89.02321	18.0
95.04895	1.5
97.02824	2.4
101.02324	19.8
113.02340	16.1
119.03372	4.7
120.05669	3.7
120.99560	1.8
121.06551	1.5
131.03357	2.8
133.10100	3.2
135.11699	20.3
137.02295	1.9
143.03368	2.1
143.08569	1.5
146.07240	2.5
149.09624	1.6
153.57455	1.4
159.08026	2.6
159.11743	2.3
161.04442	3.7
161.09641	23.3
162.10010	2.0
179.05533	3.1
179.10698	100.0
180.11018	8.1
191.05521	2.2
191.14360	2.2
203.10741	6.3
205.08638	2.3
205.12260	4.1
207.50180	1.5
209.07887	1.3
221.11742	2.6
223.09718	49.2
223.13034	6.7
224.09993	3.6
253.14427	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	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29578	0.3
51.64495	0.2
57.03315	0.9
59.01250	3.3
70.12182	0.6
70.12587	1.0
71.01253	1.7
73.02818	1.4
85.02817	0.5
89.02332	0.4
93.03333	0.5
101.02333	1.0
113.02348	0.4
116.85470	0.3
120.99544	100.0
121.06529	0.7
121.99886	1.3
135.11694	0.7
136.29477	0.3
137.02364	0.9
143.28639	0.3
147.11697	0.4
161.02356	0.6
162.41281	0.3
173.04510	0.4
173.13295	0.6
179.03391	0.3
179.10690	1.8
191.05563	1.1
196.23976	0.3
209.11679	0.4
209.15407	0.4
223.09666	0.6
223.11626	0.3
235.13390	0.8
253.14401	3.0
254.14807	0.4
353.14151	0.3
355.00879	0.3
385.09238	0.4
385.13376	2.9
385.18079	0.4
386.13440	0.3
388.37177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54591	0.9
57.03313	4.3
58.00456	1.2
59.01252	45.6
69.23830	9.6
71.01256	26.2
72.99178	2.2
73.02818	5.5
75.00733	1.6
83.01243	1.9
83.04878	1.4
85.02816	6.3
87.00744	1.4
87.04402	1.5
89.02318	19.7
93.03313	2.1
95.01234	2.3
97.06433	1.5
101.02337	9.2
110.29941	1.1
111.04419	1.1
113.02333	14.9
119.03386	6.9
120.05695	3.5
120.99541	100.0
121.99892	2.0
123.08008	1.3
125.05978	1.1
133.10144	6.0
135.04381	1.1
135.11702	17.6
137.02354	1.3
138.97363	1.0
143.03400	1.5
143.08591	2.0
146.07243	4.0
147.11658	1.6
159.08046	1.8
159.11699	2.5
161.04434	3.0
161.09634	30.3
163.11171	1.3
173.13278	2.0
177.12735	1.6
179.05534	3.7
179.10703	84.7
180.10986	3.8
181.05035	1.4
191.05507	2.2
193.12300	1.4
203.10764	9.2
203.19302	1.1
205.08569	1.5
219.28772	1.2
221.11812	2.9
222.00288	1.0
223.09700	48.2
224.10098	2.3
235.13335	1.6
236.79990	1.1
239.93454	1.1
253.14468	11.3
265.10818	2.8
315.38760	1.0
316.20657	1.1
385.13397	4.5
385.22110	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	385.1141
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01252	10.6
62.56719	1.0
64.09265	0.8
65.00185	0.9
65.34630	0.8
67.19906	0.8
70.82788	1.0
70.83125	1.8
71.01262	6.0
72.99178	0.8
85.02826	2.0
87.00779	1.0
89.02316	3.6
93.03334	2.5
101.02341	2.1
109.02855	1.2
113.02357	1.8
119.01284	1.8
120.99523	0.9
121.02829	8.3
123.04399	1.3
129.76491	0.8
133.02829	1.0
134.03603	1.5
135.04430	5.3
135.38281	0.8
137.02354	1.1
147.00798	1.4
149.02348	50.9
150.02689	2.5
152.01044	5.6
161.02367	2.4
163.03908	8.7
164.04704	29.5
165.01846	3.4
165.05063	2.4
167.03366	1.5
169.04945	3.2
175.00272	10.3
179.03514	1.1
179.07074	11.8
180.07751	1.6
181.08583	1.7
189.01741	0.9
190.02641	26.5
191.03069	1.2
191.05576	1.3
193.01366	23.7
194.01637	1.9
205.04994	34.8
206.05371	2.2
208.03708	31.5
209.02553	2.0
217.98828	0.9
223.06073	100.0
224.06450	6.8
247.06120	2.8
265.07156	1.1
267.08789	1.1
268.94482	0.8
298.36835	0.9
385.11301	3.3
385.15442	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01003	1.4
57.03313	2.5
58.00463	1.7
59.01252	44.1
61.98700	3.2
63.02266	3.3
65.00191	7.3
69.03336	1.9
71.01254	13.8
71.50271	2.8
72.99184	1.4
73.02814	4.7
80.02558	1.7
83.01262	5.5
85.02822	5.0
87.00772	2.7
89.02312	12.4
91.03883	26.9
95.01230	1.4
97.02814	3.4
97.06436	1.6
101.02331	6.3
107.01261	10.6
108.02051	6.3
109.02824	1.9
109.06511	1.6
111.08043	42.1
112.08378	1.6
113.02354	7.4
119.03384	3.2
119.04890	1.5
124.01545	3.0
125.02303	2.7
127.07498	2.2
133.02850	1.4
134.03627	4.5
135.04417	6.6
136.01552	4.8
145.02826	1.9
147.04382	2.2
151.00278	14.3
153.12767	1.9
153.55370	1.4
155.05022	1.7
161.04434	3.8
164.01097	9.8
165.01834	15.3
166.02524	3.8
167.03377	5.1
167.04744	1.4
169.12247	9.4
174.03127	5.6
175.03882	4.0
178.99805	6.4
179.05603	2.5
179.07106	1.5
183.13826	3.1
187.03888	1.8
189.09116	1.5
193.01385	7.9
196.00081	14.6
197.11765	100.0
198.12111	5.6
199.00237	1.4
199.03928	11.1
199.13312	8.2
201.01900	5.7
209.11752	2.0
211.13359	10.7
215.03503	1.9
227.12793	3.8
241.05038	3.3
242.05783	2.1
253.61339	1.4
257.04559	5.6
258.05121	2.2
263.20221	8.3
265.18042	3.3
273.18695	1.8
285.04047	29.9
286.04828	29.7
287.05246	3.4
291.19672	51.8
292.19968	6.0
309.20715	93.7
310.21140	8.9
323.09943	4.8
334.97446	1.6
341.10703	4.6
365.10248	3.1
383.11356	21.4
384.11633	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51930	1.0
54.12977	1.0
57.03307	1.7
59.01251	31.3
61.20369	1.2
61.98694	5.0
63.56612	1.2
65.00185	1.8
69.03349	1.4
71.01242	9.6
73.02809	3.1
83.01218	1.3
83.04887	2.2
84.02017	1.3
85.02803	1.9
87.00739	2.6
89.02312	9.7
91.03874	22.5
93.03255	1.2
97.02827	2.7
101.02303	3.9
104.58678	1.2
107.01221	2.2
109.06484	1.5
111.08037	45.5
112.08348	2.8
113.02322	3.7
119.03354	1.6
127.07512	1.9
137.09593	2.2
151.00262	2.7
153.09129	1.4
161.04474	2.8
164.01062	2.3
165.01869	8.4
165.12766	2.3
166.02603	2.5
167.03383	1.8
169.12268	8.0
171.10187	1.8
178.99756	3.8
179.05495	2.0
181.12241	2.9
183.13799	3.7
189.09050	1.4
193.01294	4.5
195.99980	2.0
197.11761	100.0
198.12117	6.2
199.03931	1.8
199.13234	6.7
201.01837	1.6
203.51057	1.3
211.13391	9.4
227.12866	8.7
247.20699	2.8
257.04712	1.7
263.20148	8.7
265.18057	4.3
273.18640	4.5
285.03949	5.0
286.04721	5.7
291.19666	54.1
292.19940	4.8
295.30542	1.3
299.05515	3.6
301.06183	1.2
309.20700	97.7
310.21091	10.9
323.09940	3.2
330.61542	1.2
341.10889	2.3
383.11252	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.1
59.01250	100.0
59.18789	0.9
60.01581	1.3
65.00195	1.4
65.33533	1.1
71.01262	5.1
73.02812	1.9
77.89586	1.2
77.91736	1.0
78.60448	0.9
83.01252	3.5
85.02842	2.4
87.00749	1.5
87.28756	1.0
89.02299	5.7
94.82844	1.0
95.01245	1.7
101.02316	3.1
104.08615	1.0
104.68791	1.0
107.01268	1.5
108.02053	1.3
108.15364	1.0
113.02348	4.5
114.45152	1.0
125.02369	1.4
135.04425	1.9
151.00278	9.7
161.04512	1.9
164.01016	1.4
165.01743	1.4
172.94662	1.0
174.03061	1.5
179.05505	1.5
195.99957	1.7
199.03903	2.0
201.01945	1.1
203.10750	1.5
215.03488	1.2
231.10167	5.1
252.96011	1.2
253.16339	6.3
275.24799	1.1
285.04065	4.4
286.04755	4.4
287.05054	1.4
323.09738	3.0
329.67569	1.4
341.10822	3.7
383.11386	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61394	1.6
58.00468	1.8
59.00961	2.6
59.01250	43.8
59.79987	1.6
60.52742	1.9
61.98705	3.2
65.00195	1.7
69.03339	2.3
69.33666	1.6
71.01249	11.1
71.49754	2.3
73.02787	3.3
75.00733	1.6
83.01252	3.6
83.04857	2.0
85.02829	4.3
87.00726	2.8
89.02312	17.3
91.03888	25.8
101.02308	8.2
111.08045	35.2
112.08369	2.3
113.02306	5.6
119.03422	4.2
135.04401	2.6
151.00269	4.3
151.11212	2.0
153.12766	2.8
161.04469	4.0
164.01085	6.2
167.51952	1.7
169.12228	7.9
170.50783	1.6
174.03165	2.0
179.05438	2.3
181.12206	2.9
193.12296	2.6
196.00047	4.2
197.11763	98.0
198.12138	4.9
199.03946	3.9
199.13316	6.3
201.01823	2.7
210.73402	1.5
211.13318	10.4
214.63173	1.7
227.12831	2.3
263.20068	12.2
265.18039	2.9
273.18604	2.3
285.04092	12.5
286.04831	13.5
291.19656	51.7
309.20694	100.0
310.21021	9.2
323.09802	3.0
341.10876	7.7
383.11093	8.2
383.24078	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.1
59.01250	100.0
59.18789	0.9
60.01581	1.3
65.00195	1.4
65.33533	1.1
71.01262	5.1
73.02812	1.9
77.89586	1.2
77.91736	1.0
78.60448	0.9
83.01252	3.5
85.02842	2.4
87.00749	1.5
87.28756	1.0
89.02299	5.7
94.82844	1.0
95.01245	1.7
101.02316	3.1
104.08615	1.0
104.68791	1.0
107.01268	1.5
108.02053	1.3
108.15364	1.0
113.02348	4.5
114.45152	1.0
125.02369	1.4
135.04425	1.9
151.00278	9.7
161.04512	1.9
164.01016	1.4
165.01743	1.4
172.94662	1.0
174.03061	1.5
179.05505	1.5
195.99957	1.7
199.03903	2.0
201.01945	1.1
203.10750	1.5
215.03488	1.2
231.10167	5.1
252.96011	1.2
253.16339	6.3
275.24799	1.1
285.04065	4.4
286.04755	4.4
287.05054	1.4
323.09738	3.0
329.67569	1.4
341.10822	3.7
383.11386	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
70.99348	0.4
78.14308	0.2
98.19743	0.2
100.85143	0.2
106.99763	0.2
119.04940	0.3
135.04428	0.2
137.02388	1.0
138.42838	0.2
163.03931	2.1
164.04703	100.0
165.05048	4.9
179.07060	97.3
180.07399	5.9
256.94659	0.2
294.59830	0.2
383.13788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19077	0.4
58.92674	0.4
59.01249	100.0
60.01595	0.8
60.07990	0.4
69.29765	4.1
71.01270	0.5
73.02799	0.4
82.51981	0.5
82.94661	0.5
83.01292	0.5
89.02332	0.8
98.20717	0.4
100.06008	0.4
103.10349	0.4
113.60406	0.4
113.87004	0.5
115.38393	0.4
151.00293	0.5
163.09779	0.4
167.03548	1.0
237.15950	0.4
260.73035	0.5
280.50906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50672	0.5
59.01249	100.0
60.01596	1.1
64.72617	0.5
69.32855	1.2
69.33260	3.6
71.01271	1.1
77.26469	0.5
101.02331	0.8
128.94254	0.6
129.85190	0.5
189.42679	0.5
214.37732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26539	1.0
57.03322	12.8
58.59215	1.1
59.01251	23.0
60.99178	1.7
65.03829	1.7
67.01769	1.0
69.03339	2.8
69.52631	7.7
69.55232	1.1
71.01254	4.0
71.04870	1.1
73.02822	1.7
74.02359	1.1
79.05391	3.8
80.91530	1.3
81.03312	3.8
83.01252	1.4
83.04902	7.2
85.02819	5.6
87.00737	1.8
88.05225	1.0
89.02298	2.1
91.05408	8.0
93.03322	2.9
95.01267	1.2
95.04917	3.6
97.02826	2.8
97.06446	3.2
99.04385	2.3
101.02338	2.3
105.06992	1.6
106.04121	1.8
107.04912	5.0
109.02826	2.2
109.06461	4.9
111.04380	1.7
117.06942	1.6
118.97948	1.4
119.04943	1.3
119.08513	3.3
121.06522	8.7
123.04344	1.5
123.08021	2.9
125.05983	1.7
129.07025	2.1
133.06456	3.5
135.04385	3.8
135.08017	2.5
137.02284	1.6
144.58810	1.1
145.06445	1.1
147.08055	2.7
149.06017	2.5
149.09633	1.6
151.07549	1.9
157.06468	2.3
157.10149	1.6
158.07214	1.2
159.08026	1.6
161.02278	1.5
161.06055	1.7
163.07555	3.9
171.08087	2.7
173.04449	1.4
173.09631	5.2
175.11235	1.3
177.09029	1.2
179.07095	1.3
189.12872	1.0
191.05519	1.5
191.10632	2.3
217.12256	2.0
219.10303	1.7
221.08194	1.5
221.11624	1.5
251.12866	3.2
261.11334	2.7
263.09241	25.7
264.09494	2.2
279.12372	4.9
284.66742	1.1
323.11353	100.0
324.11661	12.1
339.13840	2.3
341.12238	3.4
380.61060	1.0
383.13098	4.1
383.17288	1.2
384.13345	1.2
409.57004	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82714	0.3
53.49276	0.3
59.01250	0.6
70.68279	1.2
84.16978	0.3
114.59978	0.4
115.55825	0.3
130.76868	0.3
137.02342	1.1
163.03922	2.1
164.04703	100.0
165.05052	6.1
179.07056	82.0
180.07399	5.1
214.31653	0.3
235.98317	0.3
348.13281	0.3
383.13498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
53.24903	0.8
57.03314	2.5
59.01251	100.0
60.01586	1.1
62.38454	0.8
69.03317	1.2
71.01264	4.9
71.49880	1.3
73.02815	1.7
74.52930	0.9
81.03345	1.6
82.30358	1.0
83.01257	5.3
83.04887	4.2
85.02821	6.6
87.00753	15.4
89.02303	2.7
93.03333	1.4
95.04900	2.3
99.04389	3.0
101.02309	1.8
107.04896	1.8
109.02845	3.5
109.06463	1.2
111.00767	22.8
111.04391	4.0
112.01090	1.0
113.02349	2.2
113.05984	0.9
119.04947	1.8
120.65789	0.8
121.06476	2.6
123.04347	1.2
123.08052	1.2
127.03873	1.2
133.06406	1.3
135.04396	1.9
135.08052	1.5
143.15192	1.0
147.04384	1.4
147.08044	1.1
148.55771	0.8
149.04466	4.8
149.05940	1.2
149.09630	1.2
151.07529	2.5
161.06061	1.2
163.07574	1.3
164.04681	1.2
165.05481	1.8
175.94846	1.1
179.07025	1.1
191.05548	1.5
203.10666	1.1
221.11734	2.4
233.11775	0.9
237.49951	0.9
251.13177	0.9
261.11160	1.5
263.09207	2.5
279.12323	5.3
281.10373	2.4
286.13208	2.6
286.78802	0.8
303.13416	1.8
305.10266	3.5
316.06412	0.9
323.11398	9.0
324.11545	1.6
335.34012	0.9
341.12411	46.0
342.12747	4.6
383.13467	34.8
384.13727	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	383.1134
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
51.04313	0.8
56.23756	0.9
57.03322	6.3
59.01251	19.6
61.98687	1.0
63.02245	1.3
65.00192	16.4
71.01253	5.5
71.51064	1.0
73.02846	2.0
81.03326	4.6
83.01260	15.1
84.30812	1.1
85.02813	1.7
87.00721	1.2
89.02321	4.8
101.02327	2.9
107.01268	21.7
111.04605	0.8
113.02308	2.6
122.03604	1.4
123.04403	21.6
125.02339	45.9
125.10468	0.9
133.36671	0.8
135.04456	0.9
151.00275	100.0
151.03868	3.0
151.07533	2.1
152.00635	4.0
152.38525	0.9
158.03583	2.4
159.04425	3.5
167.03418	34.8
168.03720	1.0
169.01335	3.4
172.05185	7.8
173.06013	5.4
173.77388	0.9
179.05504	1.9
179.10715	5.6
187.04089	4.2
187.07568	75.8
188.07915	4.6
199.04027	0.9
200.04759	1.2
201.05495	13.7
202.06288	27.3
203.06638	1.6
203.10603	0.9
204.04199	1.9
213.09177	2.1
215.07074	10.9
226.60829	0.8
231.10214	24.4
232.10661	1.8
253.16391	2.4
254.26686	1.0
257.08044	5.0
286.04782	1.2
309.03986	1.6
323.09875	2.8
339.08716	22.4
339.12607	2.2
340.08945	2.2
341.10971	2.5
365.10336	4.0
383.11310	16.0
383.24164	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	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
50.68756	0.8
57.03308	0.8
59.01251	15.5
60.72323	0.7
68.89090	0.7
70.06552	1.4
70.06936	2.9
71.01247	4.6
73.02819	1.1
77.44221	0.6
83.01250	1.4
85.02811	1.3
87.00761	1.2
89.02342	3.7
98.20522	0.8
101.02334	3.1
106.25745	0.6
113.02317	2.5
121.02842	100.0
122.03185	3.8
134.59764	0.6
135.89919	0.9
145.02815	0.8
147.04393	2.2
149.02274	1.7
154.23543	0.7
161.04498	1.0
163.11180	0.8
179.05515	1.7
181.06519	4.4
191.03430	9.0
205.66612	0.6
209.11719	1.3
225.05525	6.6
251.06993	3.3
286.04767	1.4
288.75635	0.8
291.19650	2.5
295.06082	9.8
296.06451	1.6
309.20712	3.2
311.09229	14.0
312.09564	1.6
313.07181	20.3
314.07593	1.4
323.09750	2.1
329.50266	0.8
339.08728	17.3
340.09140	1.7
341.10953	3.6
364.36456	0.8
365.24673	1.1
383.07648	25.8
383.11359	1.4
384.07968	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54452	0.4
59.01252	100.0
60.01578	1.0
63.71206	0.4
65.00217	0.6
70.98722	0.7
70.99065	1.1
71.01247	0.5
82.49960	0.5
85.02842	0.7
95.01292	0.6
101.02312	0.7
111.00758	0.7
111.36768	0.4
124.01527	0.5
127.66466	0.4
133.02896	0.5
135.04425	0.6
138.11986	0.4
138.17912	0.4
151.00296	0.7
154.99744	0.7
161.02213	0.4
172.29062	0.5
173.04562	0.5
178.99866	0.6
191.05551	1.7
223.44627	0.5
233.42532	0.5
348.04831	0.6
363.03665	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06424	0.9
59.01237	3.6
71.49253	1.3
71.49640	1.7
78.95774	2.0
85.24493	0.9
149.06078	1.1
151.07613	1.4
152.99481	3.0
164.08401	1.4
170.05780	3.8
199.13347	2.4
233.19086	1.5
235.20543	2.2
251.20155	2.6
277.18094	81.6
278.18405	6.1
279.19653	22.0
280.19943	2.6
295.19144	100.0
296.19400	7.6
363.25381	17.2
364.25781	2.6
381.26486	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.6
59.54817	1.0
71.63784	1.0
78.95779	2.6
87.29068	1.0
97.12855	0.9
103.01687	0.9
114.76824	1.1
152.99442	3.1
153.12692	2.5
163.11252	2.0
165.12703	3.8
170.05734	3.4
175.65494	1.0
179.10689	12.0
181.12262	34.7
182.12604	2.3
195.10185	2.6
199.13327	100.0
200.13649	6.2
215.12810	3.1
230.71280	1.1
302.65131	1.3
363.25302	3.8
381.26169	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	382.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60135	0.8
52.54757	1.4
59.01249	100.0
60.01577	1.6
68.12759	1.0
70.70248	1.1
70.70588	2.2
71.01254	1.8
73.02810	1.3
82.92548	1.1
87.00744	1.2
89.02312	2.5
96.74870	1.2
100.83627	1.0
101.02334	2.0
113.02314	1.7
143.29762	1.2
186.58891	1.0
253.86140	1.4
286.40125	1.1
323.09845	1.2
341.10852	1.9
350.52542	1.0
398.42114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48876	0.5
55.01760	5.1
57.03327	3.4
58.00442	1.4
58.21204	0.4
58.39198	0.4
59.01246	31.7
60.01571	0.5
69.03308	1.2
71.01250	43.4
72.99177	2.8
73.02818	23.5
74.03149	0.6
75.00732	1.7
81.03358	0.5
83.01255	10.9
83.04880	0.4
85.02821	25.3
85.99960	1.3
86.03175	0.8
87.00747	3.1
87.08065	0.6
89.02313	9.3
93.03340	0.8
95.01249	3.6
96.00770	0.6
96.18943	0.4
97.02810	2.3
99.00749	8.2
101.02319	48.5
101.05992	0.9
102.02621	1.1
103.23886	0.4
107.04881	2.3
111.00724	1.3
111.04354	0.6
113.02326	15.7
114.02631	1.1
115.03889	0.9
116.72394	0.5
119.03391	1.0
123.00761	0.7
125.02329	2.6
129.01802	1.3
131.03377	2.7
135.04404	1.6
140.04973	0.9
143.03383	2.7
149.04448	1.4
157.08635	0.5
158.05998	2.7
159.02888	3.2
159.04044	0.5
161.04460	16.3
176.07072	1.2
191.05519	2.5
202.05026	0.8
205.03398	0.8
215.05486	0.5
229.98958	0.5
233.06590	2.3
249.13396	100.0
250.13719	5.4
293.08981	0.7
293.12451	1.7
381.17633	93.5
382.17969	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.0
57.03325	3.9
58.00469	1.4
59.01249	29.9
60.04266	0.6
63.16954	0.6
69.03320	0.7
71.01254	49.2
71.49474	1.0
72.99184	3.3
73.02817	28.0
74.03172	0.7
75.00748	1.3
78.78048	0.6
81.03326	0.6
83.01257	10.4
85.02824	27.8
85.06452	0.7
85.99966	1.5
87.00761	3.9
89.02316	10.1
93.03302	1.1
95.01237	3.5
97.02831	2.9
99.00758	10.8
101.02324	58.3
102.02660	1.4
111.00748	2.2
113.02333	20.0
115.03877	1.6
119.03386	1.3
119.04951	0.6
125.02309	3.2
125.93681	0.6
129.01810	1.8
131.03389	1.9
135.04434	0.8
143.03387	2.4
149.04469	2.3
159.02925	4.4
161.02406	0.7
161.04463	17.7
173.04593	1.2
191.05562	3.9
205.03476	1.3
221.31685	0.6
233.06657	2.0
249.13402	100.0
250.13739	6.1
272.09982	0.6
293.08969	0.8
293.12302	1.0
309.36362	0.6
381.17633	83.2
382.18018	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78388	3.0
57.03326	97.5
59.01254	100.0
59.27969	3.1
61.49425	2.4
62.48902	2.6
71.01266	15.1
73.02823	5.7
83.01253	2.9
85.02837	4.8
89.02336	5.5
93.03338	2.9
96.36127	2.8
96.66439	2.7
99.04398	64.0
101.02322	22.7
113.02274	4.9
125.02337	27.2
155.10663	7.0
161.04488	4.0
171.10269	6.1
217.10814	10.9
230.11610	3.8
235.11856	13.7
247.15468	5.4
268.65283	2.8
271.09494	2.8
307.23160	3.5
379.16110	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	381.0844
Annotation	Chrysoqueen
Peak:m/z	Relative Intensity
55.01741	0.5
57.03336	0.5
59.01251	2.7
60.01262	0.8
61.00890	18.8
63.57861	0.4
69.03342	0.4
71.01257	3.7
71.48331	0.5
72.99197	0.7
73.02831	0.6
75.00745	0.9
75.37822	0.3
83.01259	1.0
85.00907	1.6
85.02811	1.9
87.00751	2.2
89.02319	2.9
99.00745	1.4
99.02470	1.5
101.02321	1.3
111.00789	0.7
112.98682	3.5
113.00407	0.8
113.02357	0.7
115.00244	0.8
115.01971	15.1
117.01757	0.5
129.03555	1.9
131.03360	0.4
136.59770	0.4
145.01338	2.2
149.04462	5.5
156.03392	0.7
157.03040	44.1
158.03365	1.5
161.02504	0.6
167.15453	0.3
174.04474	2.2
175.04105	100.0
176.04495	3.1
180.37932	0.4
187.02391	0.6
217.05261	1.0
223.80057	0.4
233.01060	0.6
233.04739	0.5
235.95131	0.4
249.54530	0.4
263.05820	1.0
277.07248	1.5
305.06601	0.8
326.62631	0.4
337.09232	0.6
343.11380	3.3
349.05637	0.9
363.07532	1.9
381.08383	31.6
382.08578	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	381.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
57.70371	0.8
59.01249	100.0
70.33524	0.7
70.94176	0.9
71.01260	0.9
71.50929	1.2
74.98975	0.9
75.00748	3.2
83.04885	1.4
85.02814	1.0
87.00793	1.0
93.03350	0.8
111.00798	1.0
112.00290	2.8
124.03550	0.9
135.04408	3.1
135.75098	0.8
161.53906	0.9
189.07681	0.9
247.13409	0.9
260.67923	0.9
381.15274	2.7
382.15375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01784	1.1
57.03317	2.1
58.00468	1.7
58.06555	1.3
59.01249	57.0
63.93248	1.2
70.74284	1.3
70.82748	2.5
70.83115	2.7
71.01254	36.4
72.99166	4.2
73.02811	5.0
75.15788	1.3
83.01240	1.6
83.04878	3.5
83.78310	1.3
85.02809	8.0
87.00789	1.4
89.02315	34.9
93.03323	3.6
95.01266	2.9
98.59043	1.3
99.00752	3.7
101.02318	23.3
102.16286	1.3
104.04502	1.0
108.65427	1.1
109.02897	1.3
113.02328	13.2
119.03393	13.0
119.04906	4.2
122.82673	1.3
124.01266	1.2
131.03357	2.8
137.09622	7.6
143.03400	2.3
149.04477	4.9
155.03308	1.2
155.10684	30.0
157.08600	2.9
161.04453	4.8
163.03928	4.4
173.04469	3.9
174.49022	1.1
179.05547	3.4
181.08589	2.3
183.68306	1.3
191.05522	6.9
199.09680	53.2
200.10005	2.4
206.04538	2.9
217.10754	12.0
233.06636	1.4
247.11975	6.7
337.18555	2.1
379.16061	100.0
380.16336	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	100.0
58.03655	1.5
59.01248	99.1
67.95390	1.2
69.17165	15.2
69.82755	1.5
71.01247	12.4
73.02821	7.3
81.03351	2.1
83.01255	2.8
85.02827	6.8
89.02309	2.9
99.00732	1.7
99.04395	76.0
100.04752	1.3
101.02317	28.4
101.02943	2.5
113.02322	5.9
125.01469	1.9
125.02344	29.0
143.03410	1.6
143.07004	1.8
155.10657	2.3
156.58752	1.3
161.04460	4.7
191.05585	2.1
216.19060	1.3
217.10757	3.8
235.11809	18.1
236.11934	1.4
277.12881	2.2
286.95200	1.5
337.18729	7.7
379.16147	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59258	1.3
59.01248	24.7
60.49017	1.4
62.12098	1.3
71.16283	3.3
71.72464	1.4
90.32432	1.7
106.70567	1.3
171.10176	33.1
193.31363	1.7
207.19337	1.4
255.87309	1.5
267.73947	1.4
277.21713	39.3
278.22028	3.8
295.22781	100.0
296.23053	7.7
299.19717	1.5
317.20929	29.7
361.19916	7.3
377.22870	23.5
378.22888	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	378.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.7
59.01243	25.0
61.98705	59.8
64.24660	3.3
68.88393	3.2
71.50851	6.3
71.79211	2.9
85.45033	3.1
96.95889	100.0
97.02872	4.1
109.02811	3.4
117.07028	4.9
121.02848	10.1
121.29239	3.3
135.04385	4.9
138.74405	3.1
141.92357	3.1
154.28165	3.0
161.02245	4.0
165.01845	24.3
172.92241	3.2
174.47687	3.1
179.03380	3.5
191.05580	4.2
193.01501	3.4
207.13757	3.4
247.09750	12.6
315.05072	39.0
318.13083	4.3
334.34061	3.9
378.15317	3.5
379.21576	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99839	1.3
55.01759	2.2
57.03314	2.3
58.00471	3.9
59.01252	100.0
71.01255	79.5
71.04565	2.4
71.04905	1.9
72.99182	5.3
73.02818	18.9
75.00752	2.7
77.81742	1.4
83.01257	3.0
83.04914	1.8
85.02826	14.8
87.00755	3.1
89.02317	93.0
91.42756	1.1
95.01255	3.7
97.02834	2.8
99.00752	22.5
101.02324	48.1
111.04441	2.1
113.02332	22.6
115.03937	1.2
119.03382	20.3
125.02357	4.6
131.03407	15.8
133.47556	1.3
137.09615	3.9
143.03415	4.5
149.04456	34.3
150.04820	1.8
150.56416	1.3
155.10652	12.6
159.03043	1.5
161.04466	8.0
163.03902	1.9
169.34415	1.1
173.04492	2.0
179.05511	9.0
181.08626	1.8
191.05533	11.2
195.94962	1.3
199.09703	18.2
217.10774	4.7
226.18484	1.1
247.11847	6.1
251.07846	2.3
301.07230	1.7
306.80853	1.3
337.18857	9.6
379.16098	53.1
380.16409	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45831	0.3
55.01750	0.3
57.03335	0.5
59.01251	22.4
69.03343	0.8
71.01239	1.9
71.50499	0.3
71.50871	0.3
71.89381	0.3
72.32367	0.3
72.99178	0.4
73.02808	1.8
75.00753	0.5
83.01282	0.3
83.04904	0.4
85.02825	2.5
87.00747	1.2
89.02321	0.9
93.03365	0.4
97.06471	0.6
99.00778	0.5
99.08025	0.5
101.02340	1.6
113.02338	0.9
123.04351	0.5
124.01605	0.4
125.02399	0.6
125.05965	0.5
131.03406	0.7
133.02827	0.4
135.04411	0.8
139.11192	0.9
141.12689	0.6
144.24950	0.4
149.04509	0.7
161.04477	0.5
165.12801	2.6
183.13832	27.5
184.14171	1.7
185.11758	100.0
186.12080	6.0
191.05530	0.6
199.13284	0.3
213.35559	0.4
227.12865	8.7
227.92174	0.3
228.13153	0.7
245.13924	83.1
246.14268	7.1
248.71793	0.3
258.34476	0.3
263.14999	0.4
317.16266	0.5
335.20706	1.1
370.92068	0.3
377.18143	29.8
377.28720	1.1
378.18448	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24650	1.0
59.01251	24.7
60.47728	1.1
63.76556	1.1
70.62418	2.4
74.34997	1.2
85.54110	1.1
93.03339	1.4
95.04901	39.4
96.05238	1.6
99.92474	2.5
117.18529	1.3
195.13857	10.7
196.14413	1.4
200.80132	1.4
205.12265	1.5
223.13387	8.6
228.13681	1.6
231.21016	1.6
246.12352	11.3
249.05981	1.2
263.07877	1.5
275.20193	5.9
278.11346	83.2
279.11676	6.8
282.06277	1.3
293.21219	100.0
294.21558	9.2
306.13358	2.2
315.19452	16.6
316.19482	1.9
326.54272	1.1
338.12277	10.9
339.12439	1.6
375.21127	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	377.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
60.77670	0.7
69.19969	6.2
69.20389	1.5
71.01265	1.1
73.02821	1.3
77.11631	0.6
93.03355	2.6
95.01303	1.3
95.04899	1.4
96.37589	0.7
98.20579	1.6
102.82305	0.6
107.78099	0.8
109.02824	1.0
121.02845	9.4
122.03614	3.2
132.02037	1.5
136.01492	0.8
140.82700	0.7
147.04308	0.8
149.02357	100.0
149.04396	3.2
150.03159	29.2
151.03584	1.1
159.33772	0.7
164.04709	19.9
165.05510	27.1
166.06021	2.5
167.07040	6.2
172.17528	0.7
179.03392	1.2
180.04175	2.5
181.08607	1.5
195.06557	12.4
195.08310	0.8
196.06909	0.7
223.99124	0.6
245.13893	1.4
270.08920	0.8
271.09766	1.0
283.09665	3.4
285.11423	1.9
314.11606	33.5
315.11874	4.1
325.14368	0.7
329.13953	84.0
330.14264	11.2
377.17862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02079	1.5
59.01250	40.3
59.34919	1.7
63.93327	1.4
70.39050	1.3
71.01251	2.5
71.49350	2.3
95.04914	3.4
104.74207	1.4
121.10120	25.7
122.10379	2.0
149.09619	1.7
171.10182	55.4
171.85800	1.6
177.16566	1.6
185.11801	2.3
199.82501	1.5
207.09814	2.0
211.00703	1.8
231.21136	3.1
250.38907	1.4
275.20151	100.0
276.20474	8.1
278.11435	10.8
293.21225	72.0
294.21448	7.7
315.19379	41.3
316.19751	2.9
329.17148	1.9
337.51965	1.8
359.18256	7.9
375.21130	35.8
376.21002	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18743	0.5
56.96035	0.5
59.61683	0.5
71.48336	0.5
74.98932	1.9
93.00010	2.1
97.92506	0.5
98.19865	1.6
116.60269	0.6
125.35522	0.6
149.00815	0.8
159.08379	10.1
161.06320	3.4
192.98058	0.8
209.01231	2.7
217.06927	0.8
229.18889	0.7
246.70262	0.5
275.06122	0.7
277.07559	1.7
289.07520	2.2
291.09097	95.4
292.09250	12.3
309.10086	1.6
357.13745	2.5
359.15356	100.0
360.15515	17.5
375.18427	7.2
376.18652	2.0
377.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.72442	0.6
60.01593	0.9
71.01249	3.3
73.02827	0.8
85.02827	2.1
89.02290	0.6
98.20573	2.0
99.00776	0.8
101.02338	2.8
113.02309	1.6
161.04524	2.8
191.05513	3.3
229.18802	1.0
271.02585	0.9
299.01978	1.8
300.02454	1.9
315.18198	2.8
375.27554	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.72442	0.6
60.01593	0.9
71.01249	3.3
73.02827	0.8
85.02827	2.1
89.02290	0.6
98.20573	2.0
99.00776	0.8
101.02338	2.8
113.02309	1.6
161.04524	2.8
191.05513	3.3
229.18802	1.0
271.02585	0.9
299.01978	1.8
300.02454	1.9
315.18198	2.8
375.27554	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.9
61.26767	1.5
92.99975	1.8
159.08397	11.4
161.06367	4.3
170.58655	2.0
209.01216	2.5
211.02356	1.8
275.05969	2.1
277.07626	3.4
289.07419	1.9
291.09106	100.0
292.09296	13.1
315.67642	1.6
339.91931	1.9
359.15341	100.0
360.15408	19.5
362.22455	1.8
375.18488	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51241	0.5
57.03317	1.7
59.01249	27.8
60.01580	0.7
62.92490	0.4
63.23379	0.4
64.38206	0.5
69.03291	0.5
71.01249	1.1
73.02821	3.4
78.48288	0.4
81.88078	0.4
85.02811	1.1
89.02309	1.1
95.04884	1.0
101.02361	1.1
113.02318	1.1
131.03357	0.5
135.04382	0.6
137.09590	0.8
139.11185	23.4
140.11531	1.1
140.72525	0.4
143.07024	1.1
149.04419	1.2
161.02364	0.8
161.04449	0.8
163.11165	1.1
164.24899	0.5
164.54816	0.5
165.09119	0.9
181.12265	11.4
182.12587	0.7
183.10194	28.4
184.10542	1.4
191.05624	0.8
199.13333	8.2
200.13806	0.5
209.62495	0.5
225.11299	6.8
226.11685	0.7
243.12349	100.0
244.12732	6.7
333.19128	1.3
375.16641	8.3
375.23547	0.7
375.27597	0.6
376.17084	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42793	0.4
57.03318	1.6
59.01251	27.8
59.73335	0.5
69.83778	2.3
73.02816	2.6
80.99035	0.4
85.02778	0.6
86.30560	0.4
101.02299	0.5
137.09619	0.9
139.11185	25.2
140.11517	1.5
149.04530	0.6
163.11266	0.5
163.47974	0.5
165.09099	0.7
181.12268	13.5
182.12579	0.7
183.10188	28.5
184.10538	1.4
197.11655	0.6
199.13362	5.3
225.11250	7.6
229.28786	0.5
243.12350	100.0
244.12682	6.1
295.64182	0.5
375.16583	13.4
375.27249	0.6
376.16925	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53902	1.6
59.01251	34.0
62.44588	1.1
71.30228	2.0
73.02813	1.8
78.46311	1.2
83.64207	1.2
97.63891	1.2
101.02354	1.4
110.70076	1.1
113.02323	1.3
139.11195	24.9
145.63890	1.2
176.16972	1.3
181.12273	10.6
183.10213	27.0
184.10524	1.6
192.07736	1.3
199.13330	7.7
199.14851	1.2
225.11288	9.2
243.12363	100.0
244.12712	8.4
279.95898	1.3
357.36313	1.3
375.16528	16.7
376.16864	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	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47255	1.3
57.03320	2.5
59.01256	12.8
64.01485	1.1
70.87861	1.9
70.88169	2.1
71.01248	3.0
73.02808	2.7
89.02332	1.7
93.03349	3.3
101.02318	2.3
109.02839	20.3
121.02827	5.5
122.03649	7.7
123.00744	2.9
135.04388	3.2
136.01561	16.1
137.02197	2.0
139.11176	6.8
145.02811	1.5
146.03653	8.4
147.04398	4.6
149.02362	13.6
150.03134	33.4
151.03943	14.2
158.03618	1.4
159.04420	2.5
161.05991	5.2
164.04707	5.8
165.04129	2.9
165.05478	38.4
166.05846	1.4
172.05196	3.7
173.04260	1.5
175.03883	10.5
176.04669	5.7
179.07079	4.1
180.04181	3.6
181.12239	2.5
183.10164	5.9
188.04744	1.8
189.05496	11.8
190.06320	8.0
191.07082	7.3
195.06552	16.3
223.07779	1.6
232.53880	1.3
233.05943	1.6
239.06972	2.4
243.12349	20.6
244.12817	1.6
250.06343	1.6
251.07077	4.7
261.05621	2.7
266.05872	3.5
267.06686	13.2
268.06931	2.6
279.06628	16.0
281.08240	1.5
282.08969	5.8
293.08142	1.9
294.08987	8.0
297.07614	8.0
297.11322	13.4
304.87234	1.4
312.10080	20.0
313.10541	2.7
315.12271	2.7
327.12375	100.0
328.12650	8.8
333.18494	1.6
345.13425	4.6
375.16330	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	374.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80386	0.8
58.52065	0.9
59.01248	100.0
60.01577	1.6
61.98685	0.9
62.26045	0.8
62.52232	0.8
71.50051	1.6
101.90353	0.8
131.61693	0.7
147.07321	0.9
149.83383	0.9
200.17455	1.1
217.00296	2.7
253.21846	1.1
314.26910	1.3
374.24487	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	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
59.01249	6.4
60.12849	1.0
69.94424	2.2
69.94839	2.3
71.01257	2.8
71.04904	2.2
72.01247	0.8
72.03104	0.7
73.02831	1.6
85.02772	1.1
89.02299	2.1
93.03379	1.4
101.02348	1.5
108.02036	1.4
109.02833	26.8
110.03154	1.2
121.02856	5.6
122.03620	1.6
123.00775	2.2
123.04382	1.4
126.03087	1.0
129.01848	2.3
133.02832	0.8
135.11684	3.4
136.01556	11.6
137.02341	1.5
143.98996	0.9
145.02817	1.3
146.03638	3.1
147.02888	2.8
147.04411	1.7
149.02351	1.5
149.04451	2.4
150.03134	1.1
151.03906	12.1
152.01035	1.0
152.04254	1.3
153.05412	1.0
158.03581	1.0
159.04425	1.5
160.05261	1.5
161.05978	2.5
163.03900	1.6
165.05498	1.0
172.05225	2.7
173.05962	1.1
175.03941	4.8
175.07556	0.9
176.04701	4.0
183.10170	2.9
189.05473	4.7
190.06236	3.8
191.07068	3.3
225.34167	0.9
227.12856	9.3
228.13315	1.0
239.07068	5.3
243.12340	3.2
250.06291	1.4
251.07098	1.8
261.05472	1.1
266.05884	2.6
266.68622	1.0
267.06595	39.4
268.07028	4.0
279.06528	5.9
280.06830	1.3
282.05469	2.8
282.08942	38.4
283.09268	4.5
294.08987	3.6
297.11276	100.0
298.11609	10.0
312.09982	13.2
313.10291	1.0
315.12289	2.5
327.12350	50.2
328.12759	6.6
345.13345	8.5
375.16428	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	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01595	1.3
61.98684	1.3
62.88626	0.8
68.89282	0.8
71.01234	0.9
71.49636	1.4
73.02863	0.9
75.88296	0.8
110.13441	0.8
117.46993	0.8
120.94395	0.8
135.04355	1.0
155.83939	0.8
166.58955	0.8
174.99130	1.6
194.66151	0.8
217.00261	6.8
228.25386	0.8
314.23340	0.8
314.27103	1.9
351.64240	0.9
374.16748	1.3
374.24255	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.8
61.98693	0.2
101.05947	1.0
124.07515	0.4
130.87856	0.2
165.10249	0.3
189.10257	0.4
205.12166	0.3
217.00203	0.3
232.10860	10.1
233.11162	0.6
272.17679	0.5
289.17993	1.8
290.18753	2.8
291.18304	0.2
315.20355	0.2
316.16647	1.5
318.18097	0.5
358.21393	1.1
374.24448	100.0
375.24789	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	373.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.9
60.98257	0.7
65.55161	0.6
68.67245	0.7
69.81933	0.7
91.43247	0.6
120.15936	0.7
127.48381	0.6
135.04424	15.3
141.43541	0.7
148.61641	0.6
151.03864	0.9
163.03920	85.3
164.04277	4.2
178.06274	84.6
179.06575	4.9
193.08633	100.0
194.08960	6.0
251.08582	0.7
286.59418	0.7
291.16046	2.4
326.29086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03322	2.0
59.01251	14.7
68.99700	0.4
69.03317	0.4
71.01241	1.0
73.02815	2.2
85.02812	0.5
89.02336	0.5
90.36738	0.3
97.06498	0.8
98.19834	1.1
101.02334	0.7
109.02827	0.7
111.08035	0.8
113.05940	0.3
121.02808	0.4
123.00742	1.1
123.08043	1.3
124.01530	0.5
125.02293	0.4
125.09597	2.5
127.11161	2.4
133.02812	0.4
133.66570	0.3
135.04427	0.5
136.01567	1.8
137.02318	1.1
137.09599	1.9
138.03111	0.5
143.10645	0.8
147.04414	0.4
151.03922	2.6
152.01041	0.9
153.01878	0.5
153.09129	0.8
153.12737	0.7
155.10693	1.3
161.02332	0.5
167.03372	0.6
169.06526	0.5
171.10187	9.3
175.03888	0.8
177.05392	0.5
179.03357	0.4
191.05515	0.8
200.10538	0.4
201.15027	0.4
227.06818	0.3
229.14462	0.6
229.16611	0.4
230.15234	0.4
271.02542	0.5
279.19943	0.3
295.22757	1.3
299.01859	0.7
313.10849	0.7
325.23926	0.4
327.21808	0.6
355.24884	2.1
358.10538	1.7
371.24390	1.4
373.13251	3.9
373.25919	100.0
374.13318	0.8
374.26285	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66818	1.2
57.03317	4.6
59.01252	100.0
60.01577	1.8
60.13251	1.3
60.71700	1.1
69.03312	1.9
71.01250	7.2
71.04895	3.5
71.50285	1.2
71.50646	1.2
72.99190	1.1
73.02825	7.1
75.94267	1.6
79.62936	1.1
80.05162	1.2
83.01294	1.4
83.04904	2.0
84.79888	1.4
85.02824	3.7
87.00773	1.5
87.04379	1.2
89.02318	10.9
93.03372	1.5
99.00768	3.7
99.04361	1.6
99.91886	1.2
101.02307	6.3
109.02826	1.7
113.02370	1.8
115.03885	17.8
119.08569	3.2
125.02292	1.7
131.03394	3.4
135.04416	1.6
135.11703	5.3
137.02350	1.7
137.09621	28.3
139.11212	1.6
141.01846	2.2
149.04463	42.9
149.05652	2.5
151.03949	1.9
153.50104	1.5
155.10722	1.7
161.02394	1.9
161.04440	2.3
179.03374	2.8
179.10699	60.1
180.11015	2.4
181.08653	12.7
183.10168	2.1
189.03928	1.4
191.05554	3.3
197.11763	56.2
198.12080	3.8
223.09773	3.5
241.10791	88.6
242.11198	5.9
331.17633	3.0
373.14969	26.0
373.18796	10.7
374.15234	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67198	0.8
57.03315	5.7
59.01251	100.0
60.01596	0.9
60.99182	0.7
67.06516	0.7
69.03339	1.1
69.25120	7.3
71.01257	3.8
71.04903	2.0
73.02821	3.0
83.04923	0.8
85.02825	1.8
87.00772	1.2
89.02319	8.6
97.06493	1.2
98.19794	1.6
99.04399	1.9
101.02290	1.6
111.04516	0.6
113.02323	1.2
119.08560	2.6
131.03398	2.2
135.11694	0.9
136.33112	0.8
137.09636	6.7
149.04463	30.6
150.04822	1.2
161.04459	1.1
163.07562	0.8
179.10689	4.0
181.08604	12.9
182.08952	1.1
197.11763	77.2
198.12105	5.8
223.09714	2.5
241.10785	57.5
242.11107	3.6
331.17609	4.6
373.14905	25.2
373.18649	2.6
374.15176	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	373.1294
Annotation	Vladinol D
Peak:m/z	Relative Intensity
57.03318	1.4
59.01252	30.3
67.01745	1.9
69.57346	8.8
71.01256	10.8
73.02816	4.1
75.26706	1.4
82.05305	1.2
83.01267	1.8
85.02827	4.5
85.06454	1.2
89.02305	4.4
95.01247	3.6
97.06440	1.3
99.00709	1.4
101.02348	5.6
108.02052	11.9
109.02841	12.6
111.00762	5.8
113.02304	3.2
119.03378	2.2
121.02837	2.2
123.00780	17.1
123.04399	4.3
124.01588	9.2
134.03638	1.7
135.04436	1.6
136.01570	3.7
137.02304	2.4
139.00237	2.4
139.11211	2.3
145.02922	1.6
147.04416	15.5
150.03122	1.3
151.03888	4.3
152.07127	2.4
159.04414	3.0
160.05191	1.4
161.02345	4.0
161.04474	3.4
162.03116	5.2
163.03925	22.8
164.04274	1.4
173.02339	4.3
174.03134	5.1
175.03894	4.0
177.05496	9.3
181.12256	2.1
183.10236	1.8
187.03990	2.6
188.04686	8.3
189.05396	2.6
193.05025	3.2
203.03423	2.4
207.06471	1.7
241.14317	1.6
243.12396	8.7
243.15955	1.5
269.08087	1.4
283.06155	2.1
295.06168	2.8
297.07596	1.8
298.08481	19.3
299.08899	2.9
310.08292	3.7
313.07584	3.3
313.10815	80.7
314.11142	7.7
325.10901	4.7
331.17761	5.9
331.21094	1.3
340.09647	1.4
343.08228	2.7
343.11874	27.5
343.24710	2.2
344.12311	3.4
358.10626	12.1
359.11041	1.3
373.12906	100.0
373.25940	20.7
374.13254	13.1
374.26379	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	371.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.50410	2.0
85.41994	1.3
87.00755	1.4
121.02811	2.1
123.00755	1.4
133.51306	1.2
136.01546	1.8
151.00171	1.5
151.03940	2.0
159.04330	1.8
166.52727	1.4
173.06079	1.6
176.01076	2.8
186.06818	2.2
187.07562	2.3
191.03410	3.1
201.05591	2.2
209.04431	3.7
211.07547	1.5
215.06952	2.1
229.08566	2.2
230.09398	1.3
253.04938	2.0
301.91992	1.3
327.29590	1.3
341.10199	2.0
354.18246	2.0
356.12668	1.5
357.09695	4.0
371.11105	1.6
371.14929	1.9
371.18814	2.9
372.11996	2.0
378.85886	1.4
387.72806	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	373.1291
Annotation	(+)-Pinoresinolin
Peak:m/z	Relative Intensity
50.63004	1.4
59.01249	15.2
64.05744	1.5
68.99680	2.0
71.01250	6.3
71.50710	1.9
73.02814	2.3
85.02824	2.6
93.03336	2.4
95.01263	5.3
95.75267	1.6
97.02806	4.4
101.02339	3.3
105.69671	1.4
107.04908	1.9
108.02073	7.2
109.02843	16.3
111.00781	3.2
113.02349	2.5
119.04885	2.7
121.02825	7.5
123.00769	44.5
123.04402	5.2
124.01574	24.4
125.02343	5.3
127.07587	2.0
131.04916	1.8
133.02858	5.9
134.03586	2.6
135.04407	4.0
136.01564	75.4
137.02364	34.5
138.03152	25.9
139.00313	2.5
139.03937	15.7
140.01042	2.0
140.04062	1.3
143.04897	1.9
146.03613	2.2
147.04405	4.6
149.02357	4.6
149.06053	3.0
150.03081	2.9
151.00291	2.7
151.03920	84.6
152.01059	17.1
152.04294	5.5
153.01859	10.8
159.04405	7.7
160.05229	3.8
161.02357	5.5
161.04498	1.8
161.05962	2.4
162.03157	4.0
163.03922	9.1
165.05443	2.3
166.02669	2.4
167.03455	10.5
170.02074	2.3
171.04431	1.8
172.05193	3.2
173.05920	2.6
173.59737	1.4
174.03171	1.7
175.03935	11.6
176.04671	2.9
177.01875	4.3
177.05478	6.6
178.02652	4.6
179.03447	8.3
185.11728	1.8
187.03967	10.0
187.07542	5.6
188.04716	12.5
189.05438	3.5
191.03470	3.3
191.05534	3.2
192.04218	2.1
193.05008	3.6
195.02884	2.4
200.00920	1.9
200.04770	5.4
203.03488	6.1
203.07051	16.8
204.04137	2.9
205.04877	2.2
206.05731	2.2
207.06598	2.6
215.07057	4.7
219.06683	2.1
221.08165	2.6
233.08171	6.6
257.11597	1.5
271.02463	7.4
297.07617	2.8
297.11298	2.0
298.08493	3.2
299.01974	10.5
300.02676	3.3
313.10858	11.2
325.10666	2.3
329.10330	3.6
341.10394	4.1
343.08148	2.6
343.11856	7.0
345.09799	2.0
355.11871	2.3
355.24750	2.0
358.10501	48.6
359.10962	5.7
373.09329	6.7
373.12976	100.0
373.25934	22.4
374.09399	2.3
374.13544	13.5
374.26242	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47159	0.4
56.39742	0.4
57.03316	0.8
59.01253	40.1
60.01612	0.5
69.03333	0.5
71.01253	2.7
71.50559	0.5
71.51028	0.7
72.99126	0.5
73.02821	2.1
83.01271	0.8
87.00762	3.7
89.02329	1.7
93.03339	1.2
95.04906	1.4
97.06435	0.8
101.02342	2.5
105.03372	4.3
107.04945	1.4
109.02827	1.0
113.02350	0.9
117.03376	0.5
117.68913	0.5
121.02872	2.4
123.04385	0.9
125.02322	1.3
133.02858	24.0
134.03662	11.4
135.04424	100.0
136.01590	1.0
136.04756	4.4
137.02356	5.3
139.03894	1.6
149.02364	6.7
150.03008	0.9
151.00336	0.6
151.03941	1.0
157.12256	0.6
161.02379	0.6
161.04492	0.8
163.03976	2.6
164.04710	1.3
172.05223	0.7
177.01859	16.8
178.02637	23.0
178.06108	2.3
179.03429	50.5
180.03777	2.7
183.04388	0.5
186.06831	1.4
187.07596	1.4
191.05574	1.4
193.05017	0.6
193.08621	8.9
196.05115	0.5
200.04712	0.6
201.05435	0.8
210.06795	0.5
211.07617	1.5
214.06311	1.5
215.07098	1.9
224.08427	0.6
224.49225	0.6
225.05438	0.8
225.09177	2.1
226.09991	1.2
227.10785	1.0
227.78650	0.5
229.08740	1.6
237.09314	0.6
239.07297	0.5
239.10605	0.7
241.08832	1.0
251.10789	0.5
253.08827	0.7
253.12338	0.8
254.09465	2.1
255.10260	0.8
255.13937	2.0
269.11942	1.0
270.12534	0.8
283.10107	1.0
283.13303	4.6
284.13925	1.0
298.12067	1.2
299.12616	0.6
299.16531	1.2
309.15018	1.7
311.09348	0.5
311.12939	0.9
327.12454	1.3
327.16071	6.4
327.25452	0.7
328.16409	0.9
336.92075	0.6
343.15662	0.7
356.12738	2.2
357.09702	0.8
371.11163	1.4
371.15121	4.6
371.24405	7.1
372.15695	0.8
372.24719	0.8
380.82138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.8
59.01254	100.0
59.78559	1.3
60.01595	2.2
65.00200	1.6
69.03323	2.8
71.01239	3.1
71.50616	2.4
73.02821	2.6
75.60272	1.3
79.11972	1.6
81.66628	1.5
83.01286	1.4
83.04884	1.6
85.02808	2.2
87.00758	2.5
92.14416	1.4
93.03321	3.2
95.01231	3.7
97.06461	3.1
101.02332	2.3
103.42811	1.6
108.02035	4.8
109.02834	8.1
113.05971	1.4
115.91914	1.3
121.02836	4.2
123.00776	6.5
123.04390	2.5
124.01545	4.9
125.02343	8.2
125.09563	1.4
131.47954	1.5
133.02829	4.4
134.03625	3.1
135.04420	17.7
135.11690	1.6
136.01579	17.0
136.04703	1.4
137.02303	4.0
139.03868	3.6
145.02895	1.5
146.03592	2.6
147.04486	1.5
148.05234	1.5
149.02376	2.8
150.03127	2.1
151.00275	6.6
151.03903	22.5
152.01028	2.6
154.48660	1.4
159.04364	3.1
160.01559	1.8
160.05193	3.6
161.02310	2.6
162.03133	2.4
163.03880	3.5
166.02576	2.6
167.03435	4.0
171.04794	2.0
171.10263	2.0
175.03888	2.9
175.07578	2.7
176.01065	8.9
176.04628	1.9
177.01880	8.3
177.05522	2.9
178.02614	3.8
179.03450	9.1
187.03935	3.1
191.03418	8.7
191.05476	4.2
191.07036	1.7
194.02200	1.9
196.55980	1.4
203.03410	5.6
204.04160	5.8
209.04543	1.9
211.07579	1.9
219.06636	4.2
225.09137	1.8
227.10588	2.1
251.16608	2.4
255.10265	1.5
267.06696	7.2
282.08911	2.6
283.13501	3.3
297.11194	5.0
298.12247	1.7
299.08865	1.9
326.08023	1.6
327.12372	5.2
327.16125	5.2
329.10184	4.0
341.10294	5.2
341.23019	1.8
357.09845	16.3
371.11069	9.1
371.15002	3.7
371.24371	43.6
372.11935	9.9
372.24561	3.3
383.80417	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22800	1.0
55.99082	1.3
56.17186	1.1
57.03325	1.1
59.01250	100.0
60.01586	1.7
62.98763	1.0
69.44367	9.9
71.01254	6.6
73.02827	6.5
83.01272	1.9
85.02850	4.4
89.02306	2.9
90.22519	1.1
93.03355	3.1
93.21875	1.3
95.01300	1.4
97.06458	1.6
101.02331	3.9
104.83131	1.1
113.02348	3.0
114.66476	1.4
121.02842	4.1
123.04479	1.4
135.04375	1.5
149.04451	1.9
161.04466	1.8
173.04486	1.9
183.34518	1.1
191.05531	11.8
195.10257	1.5
197.04521	4.1
238.27856	1.1
239.09215	6.8
269.10257	9.7
329.12411	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87571	1.3
57.03331	1.8
58.00458	2.9
59.01250	100.0
60.01590	1.6
67.09153	1.1
67.92039	1.1
68.83673	1.2
69.03333	1.1
69.83455	3.5
69.83867	4.0
71.01252	40.4
72.99170	5.2
73.02819	42.6
83.01254	11.7
85.02814	4.3
87.00750	4.7
89.02322	30.5
93.03286	1.4
98.19839	1.6
101.02322	44.1
113.02351	8.8
119.03393	22.7
125.02386	1.3
131.03363	2.1
134.03621	17.9
135.04404	2.1
139.49693	1.3
143.03406	3.0
149.02324	3.1
149.04477	2.7
149.05981	18.5
152.00929	1.3
152.04713	2.3
161.04469	5.5
167.03435	1.6
167.06995	1.7
179.05505	2.8
191.03419	1.3
194.05731	3.9
202.45134	1.2
209.08157	4.5
239.09207	2.4
269.10388	6.3
309.19873	1.4
329.12521	11.6
371.13336	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1498
Annotation	MEGxp0_001756
Peak:m/z	Relative Intensity
54.87586	0.8
59.01245	9.1
69.52166	5.8
74.69847	0.8
88.54066	0.8
107.04911	1.7
135.03433	1.6
135.04417	26.5
135.05458	1.5
136.04794	1.6
139.22148	0.8
156.41678	0.9
159.67435	0.8
161.02347	1.0
162.03099	1.1
163.03914	96.4
164.04697	100.0
165.05017	5.9
177.05493	2.2
178.06268	76.6
179.07037	52.2
180.07381	3.3
193.08623	91.2
194.08955	5.8
311.13986	0.8
371.15256	1.8
372.74283	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.01762	3.5
56.43956	0.5
57.03325	11.8
58.00458	1.4
59.01249	30.8
69.03326	9.9
69.54289	3.2
71.01255	33.0
71.04866	0.5
72.99175	1.7
73.02816	7.6
79.01755	2.4
83.01238	3.9
85.02824	14.8
85.99948	1.4
86.03176	0.6
87.00793	0.9
89.01772	0.7
89.02317	15.1
90.98472	2.4
93.03325	1.6
95.01260	1.9
97.02831	5.6
99.00754	1.9
101.02332	3.9
102.98478	0.9
107.01268	8.2
107.04926	0.6
108.02120	0.6
109.06473	1.8
113.02337	2.7
119.03374	1.1
121.02807	0.8
123.00754	2.5
123.08045	4.4
125.02341	14.5
126.02669	0.5
131.03378	1.4
133.02832	0.7
133.10120	1.4
135.00775	14.5
135.04395	2.1
135.08018	1.0
137.02333	2.0
149.02348	1.1
149.04459	3.2
151.00284	9.3
151.11172	4.0
152.00891	1.3
153.01797	1.0
161.02406	1.2
161.04486	0.6
163.03880	1.3
166.02625	51.9
167.03406	19.3
168.03760	1.2
177.01840	1.8
177.12778	7.8
179.03398	1.1
179.10695	0.6
191.03395	0.4
191.05507	1.9
195.10164	1.5
195.13841	19.3
196.14148	1.8
208.00044	0.7
209.04512	1.7
221.11780	6.6
239.12894	0.6
285.94385	0.5
315.10757	1.3
327.58325	1.0
328.08188	0.6
333.97232	0.6
371.10428	4.0
371.17078	100.0
372.10220	0.9
372.17456	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	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.8
59.01250	7.5
61.62482	0.5
71.01244	1.5
71.49740	1.1
89.02309	4.2
91.03878	10.0
113.09598	2.4
139.94550	0.9
152.84346	0.7
171.10165	0.8
179.14282	1.4
195.13831	14.6
196.14178	1.1
214.50876	0.7
277.18036	18.9
277.21652	15.5
278.18454	1.8
278.21924	1.4
295.19150	11.1
295.22729	100.0
296.19757	1.5
296.23056	11.2
303.15762	0.7
369.22797	17.4
370.22925	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	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
52.40720	1.9
55.01735	2.9
58.00460	4.5
59.01252	91.5
71.01254	60.2
71.49068	1.8
71.49487	3.1
71.49846	2.2
72.99171	8.6
73.02440	1.8
73.02824	4.9
82.90219	1.6
83.01260	4.3
85.02814	8.8
87.00757	3.4
89.01759	3.2
89.02315	66.1
89.02846	4.3
93.03337	3.2
95.01267	4.1
101.02326	39.4
112.02708	1.9
113.02348	21.5
119.03390	32.5
121.02850	6.0
131.03406	4.1
134.03622	2.2
135.04376	3.7
147.08008	2.6
149.02357	2.6
149.04453	2.3
150.03154	2.7
161.04492	1.9
165.05452	3.6
167.03441	3.4
167.07092	2.1
173.04488	8.0
179.05583	4.9
191.05540	6.5
197.04546	4.5
204.26178	1.7
213.96555	2.1
292.14999	2.2
292.31448	1.8
299.99786	2.0
329.12256	2.1
371.13480	100.0
372.13708	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	17.0
57.03327	1.8
59.01252	11.0
63.96111	1.8
67.04321	0.7
67.83958	0.8
69.62825	5.1
71.01254	8.0
71.04900	1.0
72.99171	1.4
73.02824	4.8
74.40979	0.7
75.00741	5.3
83.01278	0.9
85.02824	4.9
87.00761	1.8
87.25608	0.6
89.02311	4.4
93.03326	1.0
97.06474	1.6
101.02333	6.6
102.98495	3.4
111.04436	1.2
113.02324	1.0
119.03413	1.3
129.01834	13.0
129.65839	0.8
131.03387	1.1
133.10146	2.2
135.04393	1.5
135.11688	18.1
136.12025	1.1
137.02437	1.2
147.02908	21.9
149.02365	0.9
161.04524	2.3
161.09639	1.3
165.03966	7.6
166.71190	0.7
173.04465	2.8
179.10706	100.0
180.11031	5.2
191.05588	1.8
221.15379	0.8
223.09712	20.5
224.10046	2.3
283.13574	1.3
287.09253	1.2
293.59457	0.8
316.55676	0.8
327.12347	1.1
329.10776	1.8
371.13614	18.2
371.20734	2.5
371.24478	1.7
372.13989	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	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01245	5.0
66.04328	0.4
69.19530	0.8
69.19938	3.3
71.01250	1.4
85.02838	0.5
89.02304	2.3
91.03878	9.8
107.65263	0.4
113.09594	2.0
127.08652	0.4
167.07001	0.4
177.12750	0.4
179.14308	0.9
181.12297	1.0
195.13835	14.6
196.14182	1.3
201.50484	0.4
277.18579	0.8
277.21710	15.9
277.47452	0.4
278.22031	1.5
284.99014	0.4
295.22766	100.0
296.23083	10.6
337.30466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
59.01253	4.2
60.82063	0.4
71.01243	0.8
75.19976	0.3
83.04884	0.5
85.06463	0.4
91.03860	0.7
97.06450	0.4
103.36912	0.3
109.06480	1.0
111.76843	0.4
113.09606	17.9
125.09572	0.4
139.11189	1.8
148.03230	0.3
149.09619	0.6
159.11752	0.4
167.10686	2.2
177.12750	1.0
179.10709	1.7
191.22049	0.4
195.13869	2.5
200.57355	0.4
249.22188	1.8
275.20267	0.5
293.21210	100.0
294.21542	10.9
330.05457	0.6
367.24866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
58.19391	0.7
59.01237	1.7
67.28108	0.7
76.07641	0.7
92.62463	0.8
93.24254	0.7
97.04529	0.8
98.20626	1.1
116.51665	0.8
133.06483	10.5
143.31577	0.7
149.09624	79.7
150.09969	4.6
152.13817	0.8
170.76544	0.9
175.90118	0.9
194.09401	1.1
205.15924	48.3
206.16237	3.7
250.13411	0.8
295.17081	2.7
296.17224	0.9
328.16830	1.4
367.26413	100.0
368.26709	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.54547	0.3
59.00963	0.4
59.01251	7.9
69.29536	3.1
71.01244	1.5
89.02316	3.9
91.03881	12.7
103.98057	0.4
109.06462	0.4
111.08052	0.8
113.09620	0.4
161.04451	0.4
167.10730	0.5
171.10153	1.2
177.12790	0.5
179.14336	1.4
180.41658	0.3
181.41811	0.4
195.13826	8.0
196.14456	0.8
205.12297	0.6
205.15959	1.1
211.13358	0.6
223.13358	5.6
224.13737	0.7
228.13611	0.9
249.22061	0.4
256.13162	1.9
275.20129	6.7
276.20560	0.6
293.21225	100.0
294.21564	10.8
294.24817	0.8
367.03381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56506	0.4
54.94476	0.5
57.03307	0.6
59.00956	0.7
59.01250	8.2
71.01254	1.6
71.50051	0.6
74.37432	0.5
75.63586	0.5
88.01842	0.5
89.02323	3.6
91.03887	13.2
91.04463	0.7
97.06452	0.7
103.76351	0.5
106.73743	0.6
107.28519	0.5
111.08073	0.9
120.63921	0.5
144.61009	0.5
167.10718	0.6
171.10165	1.1
179.14294	0.9
195.13823	7.5
205.12300	0.8
223.13371	5.8
228.13599	0.6
256.13110	2.2
275.20151	5.5
276.20197	0.7
293.21243	100.0
294.21579	11.4
307.10458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01590	0.8
61.98710	1.3
70.60106	0.6
71.01247	1.0
71.30236	1.6
73.02812	0.9
76.54147	0.6
85.34489	0.6
130.58650	0.7
184.10272	0.6
293.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64636	0.6
57.03320	4.1
59.01246	4.8
60.63412	0.6
71.01241	0.6
71.49818	1.1
74.95762	0.6
90.42776	0.5
97.06459	0.8
109.06476	0.8
113.09613	20.2
114.09917	0.7
139.11169	1.0
141.11398	0.6
149.09598	1.0
160.51401	0.6
167.10686	3.0
169.89569	0.6
179.10664	2.6
195.13841	2.7
215.92154	0.6
238.06610	0.6
249.22241	2.0
293.21231	100.0
294.21561	10.6
307.10229	0.9
324.71912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.14
Annotation	Synargentolide A
Peak:m/z	Relative Intensity
57.03323	5.8
58.47963	0.4
59.01255	100.0
60.01588	1.2
60.99173	1.6
65.03824	0.7
67.01772	0.5
69.99184	1.8
70.81411	0.4
71.01254	1.8
81.03331	0.7
83.01255	3.7
83.04909	5.0
85.02827	4.5
87.00758	12.1
87.01282	0.7
93.03338	0.9
99.04417	0.8
99.97166	0.4
105.07018	1.1
107.04903	3.0
109.02839	1.0
111.00774	11.6
111.04452	0.5
123.07253	0.4
123.08054	2.6
131.08548	0.9
133.06490	0.6
135.04420	0.7
148.05202	0.7
149.09631	0.9
157.10205	0.9
159.08070	1.5
163.07574	0.5
175.07513	0.8
175.11241	0.8
177.09108	0.9
187.07690	0.7
201.12688	0.7
203.53540	0.4
219.13869	0.7
236.89720	0.5
245.11702	2.9
246.36258	0.5
247.09787	3.8
263.12891	9.4
264.13135	1.0
265.10818	7.5
266.11240	0.6
278.30380	0.5
289.10904	2.2
307.11926	6.2
308.12460	0.8
325.12939	36.1
326.13297	3.0
367.13968	33.9
368.14264	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.0
56.48417	0.4
57.03325	2.4
58.00467	1.3
59.01248	25.0
60.01582	0.6
65.99706	0.6
67.01746	0.7
67.56157	0.3
69.03336	1.2
70.80777	0.8
70.81139	0.4
71.01252	34.4
71.04896	0.5
72.01571	0.8
72.99178	5.3
73.02816	20.3
75.00743	1.2
78.04909	0.4
81.03346	0.7
81.81404	0.3
83.01260	8.5
83.04900	0.9
85.02821	21.6
85.99982	0.7
86.03135	0.4
87.00746	3.6
88.00818	0.4
89.02310	7.0
89.03838	1.8
93.03322	4.4
95.01247	2.3
97.02837	1.7
99.00752	8.0
99.04366	0.4
99.23207	0.4
101.02322	40.6
102.02674	1.1
103.03884	0.4
106.04156	0.4
107.06636	0.4
109.02806	0.9
111.00761	1.2
111.04407	2.8
113.02328	14.2
115.03915	1.0
117.03341	7.4
121.02821	1.2
124.97363	0.4
125.02332	2.1
125.05946	0.5
127.03928	1.0
129.01801	1.8
131.03401	2.9
133.02872	0.6
134.03629	100.0
135.03899	4.5
137.02316	1.1
143.03412	1.4
143.07094	0.5
147.04430	1.7
148.03978	0.7
149.02359	1.0
149.04532	2.6
149.05989	6.0
150.05472	1.1
151.03854	0.8
155.03406	2.4
159.02893	2.8
161.04460	11.5
162.05499	0.5
165.05486	0.7
173.04471	6.8
174.05534	1.7
191.05539	26.5
192.06183	1.1
193.04987	82.2
194.05321	5.8
199.77612	0.4
218.04521	0.6
233.06586	1.5
235.11826	62.8
236.05634	3.3
236.12154	3.1
243.26039	0.4
248.05603	0.5
250.50241	0.4
279.10907	1.1
314.63644	0.4
367.10693	2.4
367.16064	42.5
368.09882	0.6
368.16507	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	367.1036
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
51.50988	0.3
59.01255	4.0
59.60455	0.3
69.80565	1.5
71.01258	2.4
73.02814	1.8
75.17564	0.3
81.03345	0.6
83.01245	0.5
83.04914	1.6
85.02844	2.1
87.00780	0.5
89.02316	0.5
89.03832	3.2
93.03342	2.2
99.00755	0.5
99.95503	0.4
101.02326	3.0
106.04119	0.7
109.02856	0.4
110.00584	0.4
111.04398	3.0
111.04938	0.3
113.02324	0.8
117.03349	8.7
127.03874	0.4
127.31802	0.4
134.03636	86.4
135.03972	3.4
137.02361	0.6
149.06012	4.6
155.03423	2.7
161.04465	0.8
173.04475	5.4
191.05533	5.0
193.04999	100.0
194.05316	4.8
210.33195	0.4
217.80908	0.3
235.11838	6.6
367.10321	5.9
367.16040	4.6
368.10522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76696	3.6
54.58733	3.1
57.03300	11.5
59.00959	5.5
59.01250	85.5
67.01746	5.7
69.03339	3.8
69.83259	18.4
71.01263	18.8
71.01580	3.6
72.99173	4.2
73.02805	5.0
75.96557	3.5
80.23727	3.4
83.04868	8.0
85.02831	8.7
85.06451	10.4
87.00749	21.8
89.02310	22.4
93.03337	46.7
95.04888	5.4
98.19830	3.8
99.00700	5.0
101.02320	11.7
111.04389	15.2
111.08022	18.3
115.03228	3.6
117.03315	5.2
119.04890	8.3
121.02818	11.3
123.04467	3.6
129.05470	100.0
131.03360	7.4
134.03624	85.4
137.02348	6.4
139.03900	4.2
141.09100	4.6
143.07040	8.4
149.02356	16.2
149.04440	68.6
149.05760	6.3
149.05981	5.3
155.03371	6.7
155.07027	19.0
173.03125	6.7
173.04477	73.0
173.08080	13.8
175.00269	4.0
187.03995	3.7
191.05565	47.1
193.01326	5.8
193.03282	2.6
193.04979	75.7
203.09056	7.1
217.07108	4.2
235.08150	8.8
261.09814	4.0
367.12131	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	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
59.01249	4.9
68.99683	0.4
69.03317	0.4
70.40288	0.3
70.40613	1.3
71.01260	1.9
72.99177	0.5
73.02792	0.4
75.28613	0.3
81.03323	0.6
83.04886	1.0
85.02816	1.7
87.00750	1.1
89.02322	0.5
89.03841	1.8
93.03335	4.5
93.44386	0.4
101.02322	0.6
106.56118	0.4
109.02870	0.5
111.04391	2.8
113.02335	0.4
117.03345	8.7
119.04929	0.5
121.02834	1.5
122.03671	0.6
129.01845	0.5
129.05469	0.6
134.03630	84.8
135.03963	3.1
137.02333	1.2
139.03889	1.1
149.02324	2.5
149.05994	5.1
154.02554	0.4
155.03407	2.5
173.04477	9.3
178.02635	0.5
191.05540	9.3
193.04987	100.0
194.05330	5.0
235.11812	2.6
244.01723	0.4
367.10266	7.0
367.15872	1.8
368.10330	0.5
368.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03325	0.7
59.01258	2.4
60.99166	0.5
64.42546	0.5
67.01762	5.9
69.03317	1.0
69.80144	1.9
69.80560	0.9
71.01253	3.2
81.03340	0.8
81.72433	0.4
83.04893	1.4
85.02810	1.4
87.00745	1.0
93.03335	30.9
94.03677	0.9
98.20574	0.6
100.12652	0.5
106.04060	0.5
109.02828	0.8
111.00799	0.9
111.04391	5.6
117.03340	1.4
118.28816	0.5
127.03891	0.5
134.03632	20.6
135.03934	0.8
137.02347	4.5
149.05986	1.2
155.03409	4.8
172.61156	0.4
173.04471	100.0
174.04839	3.3
191.03979	0.8
191.05553	8.6
193.04997	15.4
194.05371	0.9
367.10446	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.88134	0.4
59.01245	1.6
70.80859	1.0
85.06452	2.4
101.02301	0.4
103.15583	0.4
132.55286	0.5
199.13232	1.0
205.51224	0.4
221.38271	0.5
221.46965	0.4
261.18552	0.8
279.16559	0.9
279.19662	18.0
280.19965	1.8
347.25974	6.7
348.26062	1.2
363.25320	0.8
365.26941	100.0
366.27310	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	1.0
70.35229	0.9
70.35599	1.1
80.32036	0.6
85.73783	0.6
104.50319	0.6
116.04948	2.6
118.57769	0.6
134.03665	0.7
153.45372	0.6
159.03139	0.8
160.03949	100.0
161.04292	5.1
193.05003	1.3
204.02968	3.2
246.62851	0.7
366.08252	13.1
367.08475	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	367.1035
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.73705	1.0
59.01249	4.0
71.01234	1.6
71.12102	1.9
72.77828	0.8
85.00961	1.0
85.02878	0.9
89.03861	1.8
93.03325	5.6
101.02363	0.9
103.28627	0.9
111.04433	2.4
117.03335	5.5
121.02837	5.4
122.03613	3.1
123.04431	1.2
129.52014	0.9
134.03635	74.2
135.03989	2.8
136.74785	1.0
137.02350	1.9
139.03935	2.5
141.32425	0.8
149.02345	11.5
149.05957	4.5
151.03928	1.0
154.02602	1.6
155.03389	2.3
170.90918	0.8
173.04483	6.8
176.01035	1.3
176.29388	0.9
191.05553	14.4
191.47406	0.9
193.01418	5.5
193.04993	100.0
194.02043	1.0
194.05293	4.6
208.87242	0.8
235.76251	0.9
367.10507	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	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
57.13178	0.4
59.01254	6.6
67.60999	0.3
69.03328	0.4
71.01245	0.9
71.04892	1.6
74.60296	0.3
83.04898	1.0
85.02820	0.4
86.17702	0.4
89.02298	0.5
91.03880	0.7
96.95885	0.4
97.06488	1.0
98.19742	0.5
109.06474	0.6
111.08048	9.5
113.09605	0.9
127.79135	0.4
135.11684	0.4
137.09596	0.9
142.04607	0.4
146.12735	0.4
149.09656	0.4
167.10690	1.7
171.66133	0.4
177.12744	1.9
179.10670	1.7
195.13840	6.6
196.14178	0.4
203.14281	0.4
247.20660	2.9
273.18604	1.3
291.19666	100.0
292.19971	9.4
365.23431	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	365.2333
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
54.44658	0.3
57.03330	0.7
59.00988	0.4
59.01245	3.5
65.87226	0.3
67.24515	0.3
69.03351	0.3
71.01244	0.5
76.54401	0.3
83.04883	0.6
91.03876	0.5
93.03333	0.5
95.04906	0.5
97.06461	0.4
98.90061	0.3
101.47581	0.3
109.06483	0.5
111.08041	8.1
111.08804	0.5
121.10155	2.0
123.08025	0.3
125.09624	1.1
137.09610	0.7
147.08035	0.3
149.09679	0.4
161.14059	0.3
167.10683	1.5
177.12772	1.9
179.10732	2.0
185.11787	1.7
195.13834	6.1
196.14105	0.5
197.11728	0.6
203.14308	0.5
211.13275	0.3
247.20634	2.2
273.18546	2.5
291.19669	100.0
292.20013	10.4
349.15265	0.3
365.23373	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	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48535	26.4
59.01248	100.0
71.41001	38.2
91.21473	27.7
94.50080	28.3
167.80728	29.9
271.39111	28.4
360.13153	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31269	0.3
59.01243	2.3
63.25530	0.3
63.78760	0.3
71.01237	0.7
71.04897	0.6
71.49185	0.4
71.49659	0.6
78.58164	0.3
83.04915	0.6
114.89168	0.3
122.25705	0.4
153.12764	0.5
155.14328	0.9
161.09549	0.5
163.11211	1.1
165.12758	2.2
181.12231	1.3
196.23900	0.3
199.13330	30.3
200.13647	1.5
305.08798	0.4
347.25928	4.5
348.26141	0.7
365.26941	100.0
365.97577	0.4
366.27286	12.0
376.45575	0.4
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
57.03311	1.0
59.01251	8.3
61.12909	0.8
65.20223	0.7
71.50070	0.8
78.18169	0.9
83.04907	0.8
91.03866	1.0
93.06940	0.8
93.24757	0.7
97.06480	2.2
113.02311	0.9
121.10119	8.9
123.08107	0.8
125.09629	7.3
134.07635	0.7
147.08051	1.8
185.11757	10.0
197.11766	2.5
209.11810	1.2
211.13324	1.2
247.20682	0.8
267.07315	0.8
273.18546	2.1
289.14587	0.8
291.19659	100.0
292.20010	9.0
347.25916	0.9
365.23526	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61119	0.6
57.03305	0.6
57.93600	0.6
59.01249	100.0
60.01587	1.5
68.70280	0.6
69.15408	6.2
69.15819	0.9
71.01253	0.7
72.67230	0.6
119.76675	0.6
130.49368	0.8
151.14066	0.6
163.90874	0.7
259.97260	0.7
355.08560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.4
57.03315	2.4
58.00452	1.9
59.01249	59.3
59.71098	1.1
71.01252	28.0
71.49348	1.7
72.99178	3.8
73.02812	7.7
74.28120	1.0
83.01263	4.1
85.02826	11.9
87.00735	2.6
89.02318	16.5
95.01228	1.2
99.00764	2.9
101.02319	23.8
111.00770	1.2
113.02315	9.0
119.03384	7.7
131.03412	2.1
135.04395	2.2
143.22809	1.0
146.24219	1.1
149.04443	1.5
157.12286	2.6
161.02351	3.2
161.04530	4.3
163.03925	1.1
173.04616	1.2
173.11777	1.3
179.05560	1.6
185.11687	4.9
187.11261	1.9
203.12849	6.5
205.12279	1.3
233.13921	6.9
290.20984	1.1
305.15906	1.6
336.14371	2.5
347.17093	9.8
365.18121	100.0
366.15335	6.8
366.18585	6.1
373.79764	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0894
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
55.01754	0.6
57.03320	1.9
59.01251	5.3
60.01244	0.4
61.00888	5.9
68.99683	1.3
69.03317	1.3
70.65573	0.6
70.65891	0.6
71.01257	10.4
72.99166	2.7
73.02823	3.2
75.00744	3.4
75.02444	1.8
83.01242	1.1
85.00902	2.2
85.02837	1.8
87.00738	1.9
87.04394	1.4
89.02322	2.4
95.01231	0.4
96.99193	0.9
99.00745	1.6
99.02442	1.0
101.00381	0.7
101.02319	4.6
101.04062	0.4
103.00262	2.5
103.03851	0.6
109.00855	0.3
112.98713	2.1
113.00398	0.6
113.02304	1.6
113.04041	0.6
114.98370	0.6
115.00261	4.5
115.01971	13.2
115.03929	0.4
116.04949	1.0
117.01817	8.2
118.02145	0.4
124.98682	2.1
127.03891	0.6
129.01849	2.1
129.03537	1.7
131.03398	2.2
133.04961	0.5
142.99751	1.2
143.01491	1.3
143.05119	4.8
145.01363	0.4
145.03009	1.8
149.04453	2.3
154.92189	0.4
156.65472	0.4
157.01349	4.4
157.03040	22.6
158.03462	0.7
159.00954	2.5
159.04544	1.9
160.03952	21.9
171.00966	1.1
173.02586	0.5
175.02579	0.6
175.04105	10.4
187.04056	1.2
189.05688	4.0
201.02098	1.5
203.09303	0.5
204.02928	0.6
207.05008	0.6
215.03662	0.9
217.05249	3.2
229.05124	0.6
231.06784	2.0
233.04709	19.1
233.10275	0.6
234.05070	0.8
247.02477	1.6
247.06282	23.7
248.06644	0.8
273.04248	0.6
281.90967	0.4
297.05432	0.3
303.05197	1.5
303.08719	0.8
305.06793	0.7
309.13263	0.4
319.08450	0.4
321.09998	0.4
333.06354	4.6
357.92081	0.3
365.08966	100.0
366.09152	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50720	1.6
52.04193	1.7
57.03310	3.5
59.01247	34.1
70.06142	6.6
71.01246	15.0
73.02815	3.0
85.02821	5.6
89.02319	11.4
95.01289	3.3
97.06458	6.4
99.04433	2.5
101.02315	11.3
105.46439	1.7
113.02346	13.0
119.03371	4.7
125.02325	1.9
125.06004	3.2
131.03389	2.3
132.71715	1.8
138.89630	1.7
141.09114	60.9
142.09451	2.3
143.03357	2.7
143.07042	54.3
144.07333	2.3
149.04428	2.5
161.04526	3.0
173.08061	4.1
179.05499	3.3
185.08130	21.2
203.09189	100.0
204.09537	5.7
217.77544	1.6
225.69188	2.0
233.10304	5.9
245.10252	3.7
263.72925	2.1
275.11362	7.9
365.14362	6.1
365.18378	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	365.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.8
58.02846	10.0
59.01250	100.0
60.01592	2.6
60.66991	1.9
65.00189	5.1
69.03304	2.3
71.01251	10.9
71.50676	2.2
72.75945	1.9
79.05421	2.7
79.98611	2.0
83.01254	12.9
83.04892	6.3
85.02809	3.2
96.95895	3.5
100.03911	11.0
107.01247	6.3
107.04924	3.5
111.00764	22.0
111.04303	2.3
112.00285	10.5
113.02339	2.5
122.04245	2.0
135.04359	3.2
149.09561	2.1
151.00253	15.5
192.09796	2.2
202.06314	3.6
213.09135	13.7
216.77965	2.1
221.11758	3.3
247.09943	2.2
253.97380	2.3
265.10764	23.9
288.12494	3.0
291.19611	8.3
306.13434	6.3
324.14517	5.0
336.01151	2.3
365.10239	20.4
365.19687	8.5
366.10861	4.2
366.15488	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	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.7
56.47685	0.5
57.03310	1.8
58.00460	1.0
59.01252	49.6
60.01579	0.5
69.03322	0.6
71.01253	13.4
71.32841	0.4
71.43938	0.5
72.99200	2.1
73.02821	16.0
83.01250	4.2
85.02819	8.3
87.00751	2.1
89.02330	1.9
95.01271	1.1
97.02830	0.8
99.00754	1.4
99.04398	0.9
101.02322	18.3
108.02096	0.5
111.04333	0.7
112.01582	0.5
113.02337	3.3
119.03384	1.0
120.14961	0.4
124.20056	0.4
125.02295	0.7
143.03410	1.0
149.04433	0.7
152.01054	1.0
161.04468	11.3
182.05919	0.4
191.05515	0.6
201.14882	0.6
231.15970	1.2
245.13831	0.6
261.27045	0.4
295.68411	0.5
303.18176	0.5
321.19168	100.0
322.13351	1.0
322.19489	9.4
363.20120	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01249	100.0
60.01588	0.8
69.15302	1.6
69.15717	4.1
71.01252	6.5
73.02821	6.0
76.04366	0.4
83.01262	1.3
83.65165	0.5
85.02834	1.8
85.52245	0.5
89.02314	5.6
93.31149	0.4
101.02325	9.2
101.03014	0.5
113.02346	2.5
117.02324	0.4
119.03397	5.2
131.03410	0.6
142.06558	0.7
149.04512	0.7
160.07591	1.2
161.04501	1.1
179.05586	1.4
231.06651	0.5
231.16057	0.7
261.13455	1.2
304.94717	0.5
322.12927	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	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.7
56.47685	0.5
57.03310	1.8
58.00460	1.0
59.01252	49.6
60.01579	0.5
69.03322	0.6
71.01253	13.4
71.32841	0.4
71.43938	0.5
72.99200	2.1
73.02821	16.0
83.01250	4.2
85.02819	8.3
87.00751	2.1
89.02330	1.9
95.01271	1.1
97.02830	0.8
99.00754	1.4
99.04398	0.9
101.02322	18.3
108.02096	0.5
111.04333	0.7
112.01582	0.5
113.02337	3.3
119.03384	1.0
120.14961	0.4
124.20056	0.4
125.02295	0.7
143.03410	1.0
149.04433	0.7
152.01054	1.0
161.04468	11.3
182.05919	0.4
191.05515	0.6
201.14882	0.6
231.15970	1.2
245.13831	0.6
261.27045	0.4
295.68411	0.5
303.18176	0.5
321.19168	100.0
322.13351	1.0
322.19489	9.4
363.20120	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01592	1.4
69.15051	5.9
70.15165	0.6
71.01259	2.1
72.99208	0.6
73.02828	3.0
76.22493	0.4
82.32102	0.5
85.02847	1.0
87.00748	0.5
89.02333	0.8
100.37505	0.4
100.38158	0.5
101.02351	2.3
105.85348	0.5
113.02351	0.8
147.04463	0.6
161.04521	1.6
170.76994	0.5
193.92471	0.6
210.19505	0.5
215.12985	0.5
261.13428	10.2
262.13892	0.6
299.36282	0.5
303.14420	2.8
321.15594	0.9
363.07852	0.7
363.16559	1.4
363.23944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.4
63.02264	8.9
65.00196	13.0
68.66814	1.2
69.22295	8.3
69.22724	2.7
74.70759	0.9
81.65839	1.0
83.01252	9.1
84.20390	1.2
88.95086	1.1
95.01265	1.2
95.35664	1.2
96.35806	1.1
107.01270	23.4
109.02838	3.1
113.30648	1.1
115.26778	1.1
119.01280	4.5
121.02839	3.2
123.00770	1.5
123.04424	2.7
124.01537	2.1
125.02318	2.6
133.02838	2.9
135.00775	1.2
135.04443	1.1
136.01555	13.4
145.08607	3.0
147.00787	7.5
148.01543	5.0
151.00278	75.9
152.01074	6.0
161.02357	2.8
163.00270	2.8
167.03392	2.5
169.01335	3.8
171.04424	2.9
173.02399	1.3
175.03871	1.6
178.99786	46.7
179.03381	3.9
180.00182	2.3
183.04468	3.4
185.02248	1.6
187.00294	1.3
187.03989	1.6
189.01836	1.4
193.01250	1.0
195.02928	1.7
198.03174	2.0
199.03922	9.8
201.01903	5.5
203.03462	2.7
211.03870	1.1
215.03377	2.9
222.01564	1.3
226.02504	1.6
227.03526	8.2
231.03070	2.7
242.02127	1.3
243.02933	12.4
244.03470	1.4
255.00681	1.2
255.02934	7.4
256.03629	4.1
257.04428	1.2
271.02481	100.0
272.03058	20.1
273.03656	2.0
287.05499	1.9
299.01981	63.4
300.02716	75.5
301.03400	20.4
303.04858	2.2
331.04599	61.8
332.04993	5.5
363.16910	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	363.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12172	2.9
59.01242	10.5
65.00201	12.2
69.29333	4.9
69.29733	26.6
95.95136	3.1
97.02831	10.8
98.19816	6.9
105.66075	3.1
109.02839	8.8
121.02814	7.8
136.01538	13.4
139.03874	4.0
147.00792	11.4
149.99509	3.7
151.00278	6.8
153.01714	4.0
158.03618	3.1
165.01852	62.7
166.02347	6.1
179.03462	6.6
181.04993	6.3
193.01324	15.9
198.03232	4.3
214.02649	10.7
226.02603	5.4
236.28970	3.8
242.02112	23.4
253.01436	4.2
269.04410	3.6
270.01678	41.0
270.11023	4.1
271.02417	20.7
282.01749	4.2
285.04031	100.0
285.63049	3.1
286.04526	10.3
298.01080	7.4
299.01974	39.6
300.02435	6.3
313.03580	88.0
313.06946	3.0
314.04279	84.8
315.05014	25.2
345.06000	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46144	0.4
54.49487	0.4
57.03325	0.6
59.01234	1.6
67.22946	0.4
71.01257	0.9
73.02820	1.2
73.60839	0.4
93.03340	0.7
105.03348	1.0
110.94104	0.5
131.03391	0.5
133.02855	6.9
134.03644	0.5
135.04431	1.0
137.02321	0.7
138.75618	0.4
165.12704	0.6
167.14323	20.7
168.14734	0.8
177.01802	2.2
178.02696	0.9
187.07602	0.5
211.13341	26.0
212.13667	1.7
219.96439	0.4
229.14404	100.0
230.14734	6.4
264.06384	7.9
265.06683	0.9
299.20193	0.7
360.28238	0.6
361.13663	0.6
361.18735	7.9
361.22864	0.7
361.28851	3.6
362.19025	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91336	2.4
59.01250	100.0
59.54489	2.0
60.38872	2.4
60.43081	2.4
71.01266	5.5
71.04877	3.4
71.50013	4.5
73.02824	3.9
73.44392	2.1
83.04925	2.4
85.02801	2.4
89.02325	2.7
93.03362	3.7
101.37506	2.2
133.02884	2.8
139.11203	2.8
155.10669	3.8
179.03542	3.3
183.13847	2.9
187.07579	9.5
209.11781	74.9
209.13805	3.9
210.12108	3.2
224.66623	2.3
229.14461	18.8
243.12332	2.5
257.08090	4.6
301.20197	5.9
302.20718	2.7
319.17715	4.5
319.21149	18.9
361.13116	4.6
361.22266	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	360.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83874	0.5
59.01249	8.7
60.99654	0.6
66.14433	0.6
71.01251	1.6
71.49462	0.9
87.69044	0.5
89.02294	0.9
93.03318	1.3
101.02335	0.7
106.81127	0.5
108.02058	6.2
131.54813	0.5
133.38847	0.5
135.04410	0.6
138.01871	100.0
139.02202	3.1
149.04413	0.8
173.04460	0.9
191.05508	1.6
360.09512	1.9
361.14948	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	361.1657
Annotation	Xerophilusin N
Peak:m/z	Relative Intensity
59.01257	2.5
63.13581	0.4
69.50442	1.3
69.50871	1.5
69.53056	0.4
69.53427	0.3
71.01242	0.7
72.00555	0.3
73.02816	0.4
83.01246	0.5
85.02811	1.0
93.03343	3.8
96.20133	0.3
97.94025	0.4
98.20576	0.4
101.02312	0.7
103.78500	0.4
104.24301	0.4
108.02034	1.0
109.02841	9.0
110.03171	0.4
113.20924	0.3
119.04900	0.8
121.02843	27.4
122.03645	19.4
123.04475	2.9
124.01536	3.0
129.03314	1.4
134.03598	1.3
135.04428	3.2
136.01575	0.5
136.05249	2.2
137.02338	3.9
146.03600	1.4
147.03316	0.6
147.04420	9.8
148.05113	1.1
149.06000	2.2
150.03075	0.5
153.01828	0.4
154.02603	2.9
159.04376	0.5
160.05229	0.7
161.05974	4.1
162.06723	0.5
163.03827	0.8
164.04771	0.7
165.05495	34.6
166.05867	1.9
168.04144	0.6
168.85362	0.4
173.05858	0.4
175.07445	0.8
179.07069	12.5
180.07368	0.9
185.69789	0.3
191.06985	1.1
193.08591	0.4
199.13235	0.4
203.22995	0.4
208.07381	0.4
209.08095	1.2
209.11760	1.0
223.09697	1.7
229.14375	1.5
254.52057	0.4
285.11304	0.7
298.12115	0.9
301.10742	0.8
301.20145	1.5
313.14365	1.7
315.12363	3.7
316.12979	0.7
319.21124	1.2
343.15231	0.8
345.13336	0.6
346.14169	12.2
347.14493	1.5
361.16486	100.0
362.16849	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36497	1.2
54.35486	1.2
57.03323	7.3
59.01253	36.7
61.57894	1.3
67.01749	1.5
68.98265	1.3
68.99669	1.5
69.03333	4.2
71.01262	11.6
71.04525	1.2
71.04894	5.8
71.49921	2.3
72.99188	3.4
73.02819	7.1
75.96635	1.1
83.04911	10.5
85.02833	5.7
85.06466	2.6
85.42101	1.6
87.04403	2.1
89.02343	4.2
93.03336	1.9
97.06468	3.4
99.08025	1.5
101.02284	6.6
101.05933	1.7
108.91452	1.2
109.02835	7.1
109.06483	2.8
111.00758	1.4
111.04369	3.0
111.08040	1.8
113.02323	3.2
121.02819	2.2
121.06611	1.4
121.10122	5.4
121.20889	1.4
123.00785	1.8
123.04427	2.3
123.08082	2.1
125.02398	2.0
125.09602	2.0
129.09103	2.9
131.03403	2.6
132.04361	1.7
133.10117	3.3
135.02899	3.9
135.04436	1.6
135.11697	27.2
136.01549	7.5
137.02322	5.5
137.09630	3.1
139.11179	17.4
140.11496	1.5
143.10675	2.0
145.08716	1.5
146.03606	1.9
147.11696	3.2
149.02359	4.5
149.04457	3.6
149.06036	2.3
151.03940	2.7
153.12755	2.7
155.10713	2.3
161.04413	1.5
163.03938	3.6
163.14897	1.5
165.09129	11.0
165.12727	3.5
173.04453	6.2
173.05814	1.4
175.03944	2.2
177.01941	1.6
179.03462	7.3
183.10194	74.0
184.10548	3.8
187.13419	2.0
191.05566	1.7
196.04314	6.1
197.11795	14.3
227.09473	16.4
227.12839	100.0
228.09677	2.1
228.13110	7.1
234.98576	1.5
241.10770	3.1
250.06622	1.4
261.87253	1.4
281.07501	1.5
299.09271	1.7
299.18600	15.1
317.19669	86.7
318.20090	8.0
329.10147	4.3
329.13559	7.2
344.12540	3.8
359.07761	1.7
359.11417	5.5
359.13422	1.8
359.16254	4.8
359.20743	28.2
360.21164	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.7
59.01252	19.9
61.77007	1.2
63.16662	1.2
69.03322	2.2
69.29041	11.3
71.01247	3.3
71.04893	41.6
73.02818	2.3
74.11491	1.2
82.00818	1.1
83.04903	4.5
85.02824	2.5
85.06416	1.7
97.06452	2.4
101.05943	4.2
111.04406	1.3
113.02343	1.4
115.07516	5.4
121.10112	1.6
121.90039	1.1
125.09582	1.4
131.03406	2.1
133.10110	3.8
135.04439	6.7
135.10725	2.1
135.11700	32.3
135.12737	1.9
136.12059	1.8
137.09610	4.7
151.11156	1.8
153.09084	1.9
153.12749	8.8
156.35324	1.2
161.02304	2.2
173.11758	3.3
179.03410	7.2
179.10722	22.3
180.11151	1.1
183.10223	2.6
183.65877	1.2
187.07608	3.0
187.13464	1.4
211.62015	1.2
222.00824	1.1
227.12848	100.0
228.13179	5.3
240.47765	1.2
297.01144	1.4
299.18646	12.9
317.19672	47.7
317.23358	2.6
318.19980	4.2
332.76456	1.2
337.11053	3.6
359.16934	7.6
359.20782	11.6
360.17264	1.8
360.21283	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
55.89233	0.9
58.98746	1.0
59.01251	8.3
69.61900	6.1
69.74792	0.9
71.01244	4.1
73.02806	3.4
83.01230	1.1
85.02817	2.3
89.02316	1.6
93.03352	1.8
95.01234	1.7
97.06490	1.0
101.02292	1.9
108.02047	1.6
109.02866	2.2
110.25482	0.9
113.02297	3.2
117.03304	1.0
119.04883	2.2
121.02847	13.9
122.03584	3.2
123.00772	3.0
123.04367	1.3
124.01531	2.9
129.01849	1.1
131.03461	1.1
131.04889	1.3
133.02856	2.5
135.04428	6.5
136.01526	2.3
136.05144	2.2
137.02324	7.2
138.03133	1.1
143.04906	1.5
145.02849	4.2
146.03606	1.9
147.00725	1.0
147.04416	12.0
149.02321	4.2
149.04456	1.5
149.05917	1.1
150.03143	9.5
151.03900	2.9
153.05467	1.1
158.03647	8.1
159.04430	22.3
160.05205	54.5
161.02336	6.6
161.04509	2.0
161.05974	17.6
162.03059	2.9
163.03920	18.0
164.04713	9.9
165.01825	2.3
165.05350	1.2
168.04100	1.0
173.02351	2.2
173.05997	8.4
174.03143	7.2
175.03937	31.6
175.07561	40.7
176.04718	12.8
176.07922	3.2
177.01776	1.2
177.05493	11.6
178.06265	12.4
179.03400	5.6
180.04213	15.8
181.04744	1.7
187.07503	2.5
188.04684	6.1
189.05501	10.8
190.06274	30.3
191.03476	1.3
191.07054	26.2
192.04219	1.7
192.07616	3.4
193.04990	13.2
193.08617	3.5
194.05780	7.8
202.06242	2.2
203.06952	3.7
205.08644	23.3
207.06512	8.0
208.07350	15.1
211.13304	2.5
223.09576	2.4
299.09079	1.1
307.39072	1.1
314.11499	2.0
317.19656	3.5
329.13931	100.0
330.14221	10.1
333.11465	1.1
342.74725	1.1
344.12604	5.0
344.60358	1.5
350.49847	1.1
359.15280	47.8
359.20563	4.2
359.62576	3.9
360.15439	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	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03317	0.5
59.01247	1.7
63.80457	0.2
71.04890	0.4
71.50810	0.4
73.02805	0.4
90.11796	0.3
93.06986	2.3
97.06458	0.5
121.02811	1.9
123.08036	0.3
125.09605	0.3
127.11233	0.3
135.04408	0.5
136.01553	3.3
151.03908	4.2
152.04288	0.3
167.14388	0.3
171.10187	0.6
179.47540	0.3
190.22549	0.2
203.91693	0.3
227.16464	11.3
228.16838	0.7
266.66684	0.3
293.21216	0.5
297.24289	2.1
309.24277	1.4
310.24713	0.2
311.09091	0.3
311.25897	0.4
313.09772	0.4
321.24173	0.6
325.23624	0.5
327.25391	15.8
328.25677	1.8
339.25430	2.8
340.25513	0.5
355.24924	0.4
357.26443	100.0
358.26776	12.3
367.16916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89233	0.9
58.98746	1.0
59.01251	8.3
69.61900	6.1
69.74792	0.9
71.01244	4.1
73.02806	3.4
83.01230	1.1
85.02817	2.3
89.02316	1.6
93.03352	1.8
95.01234	1.7
97.06490	1.0
101.02292	1.9
108.02047	1.6
109.02866	2.2
110.25482	0.9
113.02297	3.2
117.03304	1.0
119.04883	2.2
121.02847	13.9
122.03584	3.2
123.00772	3.0
123.04367	1.3
124.01531	2.9
129.01849	1.1
131.03461	1.1
131.04889	1.3
133.02856	2.5
135.04428	6.5
136.01526	2.3
136.05144	2.2
137.02324	7.2
138.03133	1.1
143.04906	1.5
145.02849	4.2
146.03606	1.9
147.00725	1.0
147.04416	12.0
149.02321	4.2
149.04456	1.5
149.05917	1.1
150.03143	9.5
151.03900	2.9
153.05467	1.1
158.03647	8.1
159.04430	22.3
160.05205	54.5
161.02336	6.6
161.04509	2.0
161.05974	17.6
162.03059	2.9
163.03920	18.0
164.04713	9.9
165.01825	2.3
165.05350	1.2
168.04100	1.0
173.02351	2.2
173.05997	8.4
174.03143	7.2
175.03937	31.6
175.07561	40.7
176.04718	12.8
176.07922	3.2
177.01776	1.2
177.05493	11.6
178.06265	12.4
179.03400	5.6
180.04213	15.8
181.04744	1.7
187.07503	2.5
188.04684	6.1
189.05501	10.8
190.06274	30.3
191.03476	1.3
191.07054	26.2
192.04219	1.7
192.07616	3.4
193.04990	13.2
193.08617	3.5
194.05780	7.8
202.06242	2.2
203.06952	3.7
205.08644	23.3
207.06512	8.0
208.07350	15.1
211.13304	2.5
223.09576	2.4
299.09079	1.1
307.39072	1.1
314.11499	2.0
317.19656	3.5
329.13931	100.0
330.14221	10.1
333.11465	1.1
342.74725	1.1
344.12604	5.0
344.60358	1.5
350.49847	1.1
359.15280	47.8
359.20563	4.2
359.62576	3.9
360.15439	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	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50271	0.2
57.03328	1.0
59.01245	3.3
69.03316	0.4
71.01244	0.6
71.04900	0.3
73.02808	1.0
83.04889	0.5
93.06979	3.6
94.07335	0.3
97.06474	0.5
98.19836	0.4
101.02296	0.6
111.08029	0.4
121.02872	1.0
123.08002	0.3
124.19855	0.2
125.09615	0.6
135.04381	0.3
136.01598	1.1
136.85242	0.3
151.03908	1.6
161.04442	0.7
162.75720	0.2
162.77054	0.2
167.14330	0.2
197.15408	0.2
227.16469	15.2
228.16891	1.1
267.23309	0.4
291.23178	0.4
293.21347	0.5
297.24371	1.7
303.23334	0.2
306.58139	0.2
309.24396	0.8
310.24677	0.2
311.22293	0.9
311.25775	0.4
315.18112	1.9
317.70651	0.2
321.24167	0.3
327.25388	15.1
328.25919	1.4
339.25290	1.7
355.25168	0.3
357.26440	100.0
358.26782	11.9
378.19260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.50271	0.2
57.03328	1.0
59.01245	3.3
69.03316	0.4
71.01244	0.6
71.04900	0.3
73.02808	1.0
83.04889	0.5
93.06979	3.6
94.07335	0.3
97.06474	0.5
98.19836	0.4
101.02296	0.6
111.08029	0.4
121.02872	1.0
123.08002	0.3
124.19855	0.2
125.09615	0.6
135.04381	0.3
136.01598	1.1
136.85242	0.3
151.03908	1.6
161.04442	0.7
162.75720	0.2
162.77054	0.2
167.14330	0.2
197.15408	0.2
227.16469	15.2
228.16891	1.1
267.23309	0.4
291.23178	0.4
293.21347	0.5
297.24371	1.7
303.23334	0.2
306.58139	0.2
309.24396	0.8
310.24677	0.2
311.22293	0.9
311.25775	0.4
315.18112	1.9
317.70651	0.2
321.24167	0.3
327.25388	15.1
328.25919	1.4
339.25290	1.7
355.25168	0.3
357.26440	100.0
358.26782	11.9
378.19260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18453	0.8
57.03302	2.1
59.01250	100.0
60.67606	1.0
71.01243	2.9
73.02797	1.6
101.02349	1.9
114.91887	1.0
121.02849	9.0
135.04427	5.2
136.01567	14.2
151.03906	18.7
152.04199	1.2
171.13780	1.2
174.34177	1.1
195.02272	1.1
223.13362	2.6
229.12555	1.1
297.24527	1.1
315.10699	3.1
342.11121	2.2
357.06067	2.0
357.13531	8.3
357.26447	12.2
358.26727	1.4
384.83670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65963	0.8
51.77122	0.8
52.08207	0.7
57.03320	1.2
59.01250	100.0
60.01582	1.9
64.54280	0.7
69.03315	0.8
71.01251	9.8
71.50966	1.0
73.02831	5.1
83.01259	1.2
85.02827	2.9
89.02321	2.4
93.03343	1.0
93.07009	0.8
97.06474	1.3
99.08098	0.8
101.02327	5.8
104.60822	0.8
108.02042	1.4
110.50359	0.8
113.02340	3.2
119.03390	1.1
121.02844	2.7
121.26060	0.9
123.04454	1.6
135.04411	4.8
136.01566	13.5
137.02122	0.8
150.22697	0.7
151.03929	17.2
152.04367	0.7
161.04538	3.9
169.27094	0.9
171.10156	1.5
172.05214	1.1
175.03928	1.0
187.04008	1.0
187.07506	1.3
197.06085	0.9
197.97572	0.7
200.04703	1.0
201.05493	3.9
213.09007	0.9
215.07101	2.9
216.07738	2.3
225.11359	0.9
227.54300	0.9
240.07805	0.8
253.18210	1.3
260.06769	0.9
269.11765	3.4
295.13559	0.9
315.10895	3.4
315.18097	6.2
327.08652	0.9
342.10956	1.4
357.09329	1.6
357.13794	4.6
357.22668	2.6
357.26477	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
59.01250	100.0
63.51120	1.1
67.95454	1.4
69.19204	13.0
71.01249	1.7
77.86598	1.1
83.04920	1.2
86.37905	1.1
93.03339	16.2
109.02840	4.3
121.02847	16.8
135.04404	3.1
136.01561	17.4
139.03906	10.8
147.04430	1.4
151.03918	22.4
152.04204	2.3
165.01846	7.1
195.13770	1.3
213.09166	1.2
223.13351	2.4
313.14413	1.8
313.27567	1.7
342.11108	1.9
357.06073	2.6
357.13535	8.0
357.22351	2.0
357.26389	18.2
358.26776	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	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.1
71.01247	1.9
71.41417	0.6
71.50613	1.0
73.02819	13.0
89.02316	1.4
89.43406	0.5
95.04895	1.5
101.02320	1.1
107.04939	0.8
109.02845	1.7
121.02696	0.6
123.04422	0.9
129.12431	0.6
131.03400	1.0
134.03618	1.2
135.04425	2.7
135.66942	0.6
136.01532	1.1
149.04449	1.7
151.03914	1.9
153.01814	0.9
163.11201	8.0
172.47726	0.5
181.12259	74.8
182.12544	4.4
207.10255	2.1
225.11270	100.0
226.11638	6.4
260.65936	0.5
269.08435	0.6
290.91241	0.6
299.08951	0.8
314.11377	0.7
357.15732	7.9
357.22580	1.2
357.26541	0.6
358.16040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.7
69.03319	0.6
69.29565	5.0
71.01244	1.7
73.02820	14.3
85.02836	0.8
89.02335	0.8
95.04882	1.9
97.25336	0.6
101.02337	1.3
107.08591	0.6
109.02815	1.7
111.68272	0.6
115.49548	0.7
121.02760	0.8
135.04398	2.0
140.90730	0.7
149.04474	1.8
151.03929	1.2
153.01877	0.9
161.09642	1.0
163.11201	8.8
164.11575	0.9
179.03462	0.8
181.12271	81.9
182.12534	4.0
198.40614	0.7
207.10132	3.2
225.11285	100.0
226.11543	7.4
244.41464	0.6
315.10760	1.4
357.15701	9.0
358.15781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77959	0.5
55.01754	1.7
57.03310	1.0
58.00449	0.9
58.43371	0.4
59.01250	40.1
60.01594	0.7
61.23912	0.4
63.70268	0.4
66.01210	0.5
69.03323	1.0
70.61629	0.4
71.01254	17.3
71.08414	1.2
72.99165	1.5
73.02817	36.1
74.03138	1.0
76.80960	0.4
78.23271	0.4
83.01263	3.1
85.02825	4.7
87.00747	3.5
89.02318	5.1
95.01189	0.5
97.02813	0.9
99.00793	0.8
101.02322	17.6
113.02310	2.4
117.31754	0.5
119.03385	5.2
121.02835	0.8
125.02346	0.5
136.01541	1.8
151.03920	2.3
161.04459	37.2
162.04782	1.2
168.63153	0.4
171.10054	0.5
190.32864	0.5
199.13292	0.5
258.38300	0.4
297.17270	0.6
307.24225	0.4
315.18103	100.0
316.18460	10.6
331.14700	0.4
331.98447	0.5
336.43799	0.5
342.11035	0.8
351.15237	0.5
357.13519	1.8
357.19025	1.3
357.22958	1.0
357.26685	0.5
367.06494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01249	5.0
62.34253	0.3
69.03319	0.3
69.23672	0.8
69.24069	2.9
71.01247	1.3
73.02399	0.6
73.02815	11.4
73.86652	0.3
85.02822	0.5
89.02276	0.4
95.04855	0.3
101.02328	0.8
103.03893	0.3
116.66525	0.3
121.02868	0.6
125.06030	0.4
128.15028	0.3
131.03374	1.3
133.02797	0.6
135.04472	1.7
136.01541	3.3
137.02313	0.7
149.04480	1.1
151.03905	4.2
160.86118	0.3
161.02423	0.3
161.09589	0.4
163.05286	0.4
163.11209	5.8
179.10728	0.7
181.12257	100.0
182.12587	6.0
191.76520	0.3
225.11275	32.9
226.11565	2.0
301.47241	0.4
342.11032	0.8
342.96295	0.4
357.15891	6.5
358.11499	0.5
358.16043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1344
Annotation	Prestegane B
Peak:m/z	Relative Intensity
59.01251	6.5
67.01741	1.1
68.99668	1.1
69.03318	1.2
69.95026	2.8
69.95428	1.4
71.01251	1.7
73.02825	1.5
73.21457	0.8
77.03831	0.9
78.31363	0.7
81.03347	1.1
83.01256	0.7
89.03825	0.8
93.03328	3.2
95.01272	3.2
97.02821	1.4
98.19918	0.9
101.02360	1.7
105.03326	1.1
106.45509	0.7
107.04874	1.3
108.02055	3.6
109.02844	10.1
111.00774	2.4
117.03359	1.1
119.04989	0.9
121.02853	14.1
122.03676	3.6
123.00765	5.1
123.04424	4.4
124.01543	4.6
125.02341	2.4
126.11801	0.8
133.02858	4.4
133.06519	1.1
134.03644	1.8
135.00798	1.1
135.04449	4.1
136.01558	82.5
137.02371	20.7
138.02901	0.6
139.03859	0.9
146.03561	1.1
147.04411	1.3
149.02361	4.3
149.05992	1.3
150.03157	0.9
151.00273	2.0
151.03914	100.0
152.01089	2.7
152.04260	4.9
153.01828	1.0
159.04405	3.7
160.05147	1.8
161.02364	2.2
161.04601	0.7
161.05992	2.0
162.01926	0.7
162.03108	3.6
163.03882	4.3
165.01854	2.4
167.03400	1.0
171.10188	1.1
175.03886	3.9
175.07610	1.0
177.01849	6.5
177.05482	3.3
178.02615	1.1
179.03397	2.5
181.12271	1.0
187.04053	3.3
189.05475	1.9
190.02655	0.9
191.03374	1.7
191.06955	0.7
194.02213	0.9
203.03430	1.9
204.04216	0.9
205.05000	2.7
227.06961	1.2
240.07857	0.7
241.04886	0.7
267.06754	1.2
268.07367	0.9
269.08054	1.2
296.53531	0.8
312.06287	0.9
315.11044	1.3
315.18097	1.8
327.08820	2.5
329.10379	3.2
342.07376	1.2
342.11115	3.1
350.53448	0.7
357.09796	48.7
357.13568	15.6
357.26300	4.2
358.10202	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41845	1.2
56.07027	1.0
59.01248	3.1
64.93093	1.0
71.27930	2.1
73.02822	2.4
89.02306	1.2
94.25912	1.3
101.02287	1.3
105.46372	1.1
108.02048	21.0
117.32720	1.1
121.02864	3.3
123.03562	1.7
123.04417	31.8
131.04900	1.3
134.03645	1.8
135.04391	4.6
136.01578	1.4
138.91646	1.0
144.98930	1.4
145.02861	1.8
145.06482	1.3
146.03679	2.4
147.04408	4.3
148.05220	6.0
149.02333	3.2
149.05998	5.3
150.03127	7.5
151.03809	1.5
158.03668	3.9
159.04401	11.1
160.05215	20.7
161.02350	2.3
161.05920	4.9
162.03162	5.5
163.07529	1.5
164.04698	2.5
165.05470	2.7
174.03139	7.9
175.07533	6.5
176.04749	5.7
177.05484	72.3
178.06258	24.1
179.06584	1.1
179.10693	2.2
180.04163	2.9
180.11023	2.0
181.12250	3.3
187.03944	10.9
188.04710	17.9
189.05202	1.5
191.03387	1.9
191.07062	29.4
192.04221	2.6
192.07796	11.2
193.08583	1.9
194.05731	1.8
199.67696	1.1
201.05527	1.1
203.07065	100.0
204.07423	7.2
205.04910	1.3
206.05791	16.6
210.05185	7.8
219.06447	2.6
220.07397	3.3
221.08128	75.0
222.08485	4.7
224.06870	16.6
225.11275	3.8
233.08182	1.9
235.07848	1.2
239.06908	1.2
263.07138	1.5
264.07809	1.4
267.06558	1.5
279.06506	2.2
280.07224	2.2
281.08142	4.1
283.09604	1.8
291.06570	2.5
295.09576	1.4
296.10477	2.2
297.07602	2.3
298.08286	2.6
299.12430	1.2
309.07657	4.8
311.12854	4.0
312.10092	1.2
313.10693	5.5
314.11157	1.2
315.10864	2.1
324.09875	5.3
327.12341	11.7
328.12677	2.1
339.12354	39.4
340.12619	4.3
342.10803	1.6
357.13440	33.7
358.13837	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27190	0.2
59.01248	1.0
69.03329	0.5
71.01257	0.3
71.30157	0.5
73.02829	0.3
79.16196	0.3
84.02055	0.3
85.02848	0.6
93.03357	1.7
94.19095	0.3
108.02060	1.9
109.02842	1.1
121.02853	9.8
122.02992	0.3
122.03652	4.1
123.00771	0.5
123.04438	0.3
124.01554	0.8
133.02850	0.3
134.03641	0.9
135.04466	1.5
135.11717	0.4
136.01566	88.2
137.02237	3.2
145.06516	0.3
147.04445	0.3
149.02377	0.3
149.05977	0.3
151.03920	100.0
152.04243	4.0
153.01863	0.8
154.02638	0.4
159.04463	1.0
160.05296	1.4
161.02325	0.8
161.05876	0.3
162.03192	1.3
163.03975	1.4
164.04651	0.3
175.03934	1.1
175.07576	1.3
176.04700	0.6
177.05493	1.2
179.03467	0.6
181.12300	1.6
187.03894	0.7
188.04726	0.5
189.05499	1.0
206.05606	0.2
225.11150	1.4
241.05167	0.4
296.10797	0.3
311.12924	0.9
342.11078	4.7
343.11545	0.4
357.13434	18.1
358.09814	0.5
358.13806	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	357.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08738	0.2
52.50015	0.2
59.01247	2.0
69.03319	0.6
70.36242	0.2
71.01247	1.4
71.32546	0.2
71.50337	0.2
73.02815	1.5
79.71703	0.1
83.01273	0.5
84.02031	0.5
85.02833	0.6
87.35796	0.2
89.02317	0.5
93.03333	2.1
95.01278	0.4
101.02312	1.0
107.04902	0.3
107.30373	0.2
108.02072	2.1
109.02846	1.0
113.02335	0.4
119.03380	0.3
121.02843	11.4
122.03651	3.6
123.00745	0.5
123.04392	0.4
124.01543	0.6
133.02779	0.2
134.03616	1.4
134.91498	0.2
135.04413	1.9
136.01559	92.2
137.02240	3.2
145.06508	0.2
146.03642	0.2
147.04378	0.4
149.02345	0.3
149.05994	0.4
151.03912	100.0
152.04260	4.1
154.02644	0.5
159.04459	1.0
160.05193	1.3
161.02341	0.6
161.04448	0.4
161.05875	0.3
162.03128	1.5
163.03941	1.9
163.11148	0.2
164.04588	0.2
165.29639	0.2
175.03894	0.7
175.07515	1.4
176.04665	0.7
176.07747	0.2
177.05501	1.3
179.03423	0.7
181.12292	0.7
187.03929	0.7
189.05421	0.6
190.06262	0.5
203.07016	0.4
205.04881	0.3
241.05069	0.2
256.07352	0.3
267.06531	0.2
296.10489	0.4
311.12863	0.8
313.11285	0.2
315.10910	0.4
327.08972	0.2
342.11069	4.4
343.11353	0.4
357.13431	18.1
358.13727	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79425	8.5
55.73023	8.1
59.01253	24.2
61.98705	100.0
62.22277	7.6
69.53658	19.7
69.54069	54.2
73.01983	8.4
121.02822	28.6
136.01559	67.6
146.46292	9.6
151.03929	85.4
158.07445	9.8
172.88220	11.4
200.36104	7.9
280.84305	9.7
296.28360	8.7
357.13364	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0618
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.16515	0.2
59.01253	0.6
69.03322	0.2
71.50827	0.2
71.51203	0.2
77.03822	0.3
93.03324	0.4
96.10217	0.2
108.42799	0.2
120.02159	0.2
121.02850	100.0
122.03176	3.6
136.01555	1.0
151.03917	1.1
165.01898	1.2
167.08589	0.2
180.05730	1.6
181.04836	0.3
181.06517	6.2
181.58690	0.2
182.06897	0.5
185.11765	0.2
197.06000	0.3
225.05539	6.6
226.05838	0.4
253.19592	0.2
262.57224	0.2
269.08255	0.3
313.07181	8.2
314.07510	1.0
325.23773	0.2
327.25308	1.5
339.25433	0.3
357.06165	30.5
357.26468	9.3
358.06488	3.2
358.26904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.47129	1.6
58.12513	2.0
59.01254	38.4
60.51780	1.9
62.83452	1.9
67.58793	1.9
71.01254	21.1
71.49270	3.5
72.99181	2.7
73.02811	2.3
74.02345	4.9
78.32638	1.9
85.02827	2.9
87.00768	3.4
87.05515	2.2
89.02328	19.7
95.01269	2.0
101.02323	15.5
109.92654	2.0
113.02332	8.9
119.03384	7.0
121.02869	2.1
123.00732	2.3
123.04436	2.0
130.08669	2.1
133.15843	2.0
135.04430	4.7
151.03923	4.8
162.03145	58.8
163.03717	3.4
177.05507	100.0
178.05838	4.4
195.06699	11.3
221.28867	2.1
221.93004	1.8
301.16391	2.1
357.11780	2.2
357.21320	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31236	0.8
59.01238	4.9
71.01265	1.0
71.35719	1.4
74.40715	0.8
75.18212	0.7
89.02321	1.3
123.04405	74.5
124.04729	3.5
124.45641	0.9
135.04388	2.8
150.03154	1.5
150.80692	0.9
151.03911	10.1
153.05476	100.0
154.05827	5.3
162.03108	1.8
177.05479	3.3
180.88696	1.0
308.45703	0.8
341.89233	0.8
357.08047	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	355.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	5.5
59.01251	100.0
61.98690	4.4
62.53654	2.7
65.76060	2.9
70.70399	6.3
70.70753	3.5
71.01245	3.5
72.99142	2.6
75.10732	2.8
80.63135	3.0
83.01215	3.1
89.02307	2.7
95.54507	2.6
111.71508	2.8
113.02361	3.1
134.03633	14.3
135.04413	10.8
177.12839	4.3
178.02568	3.6
193.05042	3.5
235.15259	4.2
267.17862	51.5
268.18228	3.2
314.66370	2.7
324.13354	2.7
355.15347	9.5
355.19498	20.3
355.23914	2.5
356.19666	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.39160	1.3
58.58314	1.1
59.01224	1.5
59.31550	1.0
71.41459	2.5
80.89196	1.2
85.02816	2.1
91.73508	1.0
95.83090	1.0
103.49882	1.5
107.04937	1.1
109.02821	2.1
122.03632	12.4
127.07500	1.3
135.04417	26.7
136.01591	2.0
136.04686	1.2
147.08052	2.7
149.05978	2.5
149.09633	7.4
149.91882	1.3
151.07542	3.9
154.02640	2.9
161.09637	8.6
163.07552	3.8
163.09822	2.7
163.11198	54.5
164.08344	15.6
164.11493	2.4
165.09123	11.4
177.09122	69.9
178.09900	23.0
179.10695	78.4
180.10986	4.6
180.50284	1.3
183.10167	3.1
187.11101	2.0
191.10699	13.2
193.08598	10.9
201.90872	1.1
235.19736	1.1
280.14743	4.3
298.15744	55.9
299.16098	4.9
307.16989	3.0
309.22180	1.7
322.19315	1.8
337.21719	50.1
338.22141	6.5
340.20425	89.5
341.20718	11.9
355.22775	100.0
356.23044	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	355.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67975	1.3
59.01244	6.6
69.19530	1.3
69.36919	1.3
69.37244	13.7
71.01247	2.1
72.31705	1.3
73.02825	5.5
74.22128	1.2
80.49536	1.5
81.41409	1.3
85.02835	1.8
89.02302	8.5
93.03333	1.9
101.02311	2.6
123.04387	5.3
130.99889	1.2
131.03378	4.2
133.10109	1.8
135.11699	19.9
149.04453	34.4
149.96521	1.5
150.03119	3.5
151.03938	9.9
161.09572	1.9
179.10698	100.0
180.11024	5.9
223.09729	18.8
237.93538	1.7
355.13913	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88483	3.9
57.03305	13.4
59.01252	84.7
69.03315	7.8
70.00122	23.6
71.01257	6.6
72.99167	35.8
73.02801	12.8
75.00745	100.0
77.15494	3.8
81.03339	8.8
83.04894	16.7
85.02834	9.0
92.91527	4.5
93.03343	4.5
95.04895	9.8
106.22538	3.9
107.04907	7.3
108.02027	5.1
109.02808	5.2
109.06481	12.0
122.03539	5.8
123.04414	15.1
125.06007	5.8
133.06482	5.3
135.04366	7.6
135.07996	6.8
137.05949	14.1
151.03894	10.6
153.12802	4.6
160.74174	4.0
178.79044	5.1
179.10596	6.9
225.04890	5.5
254.22685	4.4
310.06757	16.6
311.26306	6.2
325.09030	28.0
325.12851	29.0
329.34702	5.1
340.11481	10.4
355.14142	97.9
355.24802	15.0
356.13968	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	355.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.1
69.38701	2.4
69.39101	7.2
101.02332	1.8
112.07111	1.1
123.04410	4.0
131.03357	2.3
133.10104	1.3
135.11702	19.3
135.12666	0.8
149.04460	2.7
150.03114	2.1
151.03894	8.4
175.04910	1.1
179.10706	100.0
180.11017	6.4
186.72220	1.2
223.09717	20.4
224.10085	1.8
230.43562	1.1
290.29330	1.3
307.48416	1.1
330.89011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.5
60.10447	1.4
61.87352	1.2
69.43591	8.9
70.34538	1.2
72.37894	1.0
73.02827	1.6
87.00778	1.3
123.04456	1.8
134.53726	1.2
135.11693	18.8
136.12071	2.3
149.04478	4.1
150.03111	2.6
151.03888	6.2
153.40555	1.0
161.09738	1.1
179.10706	100.0
180.11050	5.7
223.09697	20.4
231.47672	1.1
283.27444	1.2
353.94498	1.3
355.10043	1.4
355.13852	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23832	0.7
55.12056	0.7
61.09329	0.8
62.02457	0.7
63.74128	0.7
70.52310	1.5
70.52698	1.8
73.02811	2.4
76.56652	0.8
81.06966	0.7
83.80392	0.8
111.04415	0.9
127.82142	0.9
131.03374	1.5
133.10130	1.7
135.10730	1.6
135.11694	22.4
136.12018	1.4
139.58136	0.8
144.61743	0.8
149.04420	2.4
150.03114	1.0
151.03960	1.2
161.09595	1.7
179.10693	100.0
180.11002	6.8
223.09708	15.0
224.10088	0.9
277.78534	0.8
313.62186	1.0
355.13928	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.3
60.61040	1.4
67.35980	1.5
68.41807	1.5
70.52654	3.2
71.01276	1.9
73.02819	4.6
75.94735	1.7
89.02310	3.9
92.52242	1.7
101.02303	1.9
113.02316	2.6
116.15731	1.6
120.69930	1.5
123.04401	5.7
131.03412	2.8
134.03607	1.9
135.11705	17.8
149.04465	11.2
150.03134	5.0
151.03918	22.0
179.10695	100.0
180.11029	5.8
208.83452	1.7
217.36993	1.9
223.09711	20.0
319.79230	1.9
355.13968	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	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.9
59.44733	0.3
69.03294	0.6
71.01250	0.8
73.02817	3.8
81.06974	0.4
85.36870	0.4
87.00761	0.5
89.02303	0.9
98.20620	0.6
100.23115	0.4
101.02336	1.0
111.04370	0.6
123.04403	4.1
131.03413	0.7
133.10085	1.8
134.03593	0.5
135.11687	21.0
136.11998	1.0
139.78957	0.4
148.07716	0.4
149.02332	0.7
149.04459	3.4
149.09540	0.4
150.03154	2.3
151.02675	0.6
151.03909	10.2
161.09639	1.0
175.03946	0.5
179.10689	100.0
180.11047	5.3
191.05522	0.4
223.09697	25.8
224.10101	1.5
249.99185	0.4
333.46646	0.5
355.13992	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	353.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72069	1.1
59.01249	100.0
62.69611	1.2
65.54389	1.4
69.28152	13.4
85.02853	1.7
98.20568	1.5
106.39683	1.4
108.44836	1.4
135.04408	4.1
165.49777	1.5
179.03436	3.5
191.05542	17.7
282.26828	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	353.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00430	1.2
59.01249	100.0
59.45427	1.3
61.51165	1.3
61.57585	1.1
63.31743	1.1
64.67410	1.1
64.94634	1.2
69.46084	8.3
71.01267	1.6
85.02829	4.1
89.62737	1.1
93.03328	2.9
134.03683	1.7
135.04413	8.8
152.18419	1.1
173.04443	3.6
179.03387	5.4
191.05534	53.2
192.05835	2.0
232.96994	1.2
242.96509	1.3
267.17831	3.2
353.17990	2.8
377.52405	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.32769	0.2
52.57098	0.3
55.26998	0.2
59.85721	0.2
69.98256	1.3
79.95607	0.6
96.95876	3.7
125.19690	0.3
147.08102	0.5
163.11198	92.9
164.11530	5.7
177.09132	71.1
177.12328	0.5
178.09471	4.6
222.08887	0.7
249.66943	0.2
281.57709	0.3
344.19971	0.3
353.21188	100.0
354.21542	13.2
354.26038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82308	0.6
51.91777	0.6
52.22325	0.7
59.01250	4.3
60.39995	0.7
67.01747	0.8
70.83754	1.5
71.01247	2.7
72.78551	0.7
73.02815	2.5
74.64639	0.7
78.54557	0.7
81.03359	1.0
83.04886	2.3
85.02826	10.6
87.00739	2.2
89.02316	2.5
93.03339	11.2
99.04401	0.7
101.02366	0.7
107.04927	1.3
109.02822	1.2
111.04406	5.3
119.03355	0.8
127.03878	2.9
129.72572	0.7
133.02798	0.9
134.03638	6.3
135.04414	54.8
136.04747	2.9
137.02332	2.6
155.03424	3.0
161.02333	3.4
171.02925	0.9
173.04472	15.2
179.03412	41.3
180.03749	2.4
191.05536	100.0
192.05865	3.6
197.34431	0.8
263.88144	0.6
353.08719	9.6
354.09378	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	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83110	0.9
59.01245	4.9
70.79065	2.2
71.01241	1.5
72.99207	1.4
73.02813	1.0
83.01256	9.9
85.02828	3.9
89.02345	1.1
93.03340	3.6
127.03893	1.5
133.02832	1.0
133.10124	34.1
134.03621	1.6
134.10471	1.3
135.04407	15.0
137.02313	1.5
149.04422	3.8
159.08110	1.3
161.02385	1.6
173.04478	6.2
177.09122	100.0
178.09525	4.3
179.03415	13.2
191.05533	39.2
192.05859	1.1
202.22981	1.0
218.38615	0.8
219.21747	0.9
221.08098	2.8
353.08533	1.5
353.12415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82838	0.8
52.71368	0.8
54.13163	0.8
55.01741	1.5
55.99105	0.9
58.00468	1.0
59.01249	19.7
65.01736	0.8
67.01768	1.2
69.03325	1.4
69.57429	6.2
69.57832	1.8
71.01252	17.3
72.99172	1.7
73.02818	18.3
75.00782	1.2
75.30032	0.8
81.03365	2.3
83.04887	10.2
84.32291	0.9
85.02824	14.8
87.00745	3.1
89.02320	18.8
93.03335	50.3
94.03685	1.2
98.20599	1.7
99.00751	5.6
99.04401	6.1
99.56102	1.0
99.76342	0.9
101.02336	4.2
102.91842	1.1
107.04895	1.6
107.21651	0.9
109.02810	3.2
110.12440	1.1
111.00787	1.6
111.04407	21.0
113.02334	4.0
115.09788	0.9
119.03384	2.4
127.03883	2.4
129.01837	2.7
133.02840	2.2
134.03642	7.5
135.04419	59.4
136.04736	2.0
137.02339	13.4
143.03439	5.4
149.04465	1.0
155.03386	9.9
161.02364	3.9
161.04442	2.0
173.04472	84.8
174.04794	3.1
176.04128	0.9
177.53697	0.9
179.03424	53.3
179.05429	3.9
180.03806	2.6
191.05537	100.0
192.05908	2.5
278.80615	0.9
291.24634	1.2
353.08511	15.7
364.26965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86610	0.6
57.23139	0.6
59.01232	1.0
59.75045	0.6
71.01237	1.3
72.33618	0.6
72.34171	0.6
83.04883	0.9
85.02824	9.2
87.00743	1.0
93.03349	4.6
98.20579	1.3
107.04897	1.4
111.04409	1.8
117.03377	0.7
126.21819	0.6
127.03895	1.7
133.02859	1.3
134.03633	5.6
135.04411	54.3
136.04713	3.3
155.03328	1.4
161.02368	3.1
173.04468	6.3
179.03413	46.4
180.03740	2.3
191.05536	100.0
192.05882	3.6
223.46764	0.6
231.10397	0.8
353.08716	11.8
353.23044	1.0
354.09131	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	353.0877
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
57.03313	0.4
59.01239	2.2
60.68659	0.2
60.99157	0.3
62.61198	0.3
67.01769	1.4
69.03323	0.6
71.01249	1.5
73.02816	0.6
81.03334	0.3
83.04910	0.5
85.02819	10.3
86.03164	0.3
87.00741	2.0
93.03333	11.8
94.03676	0.5
98.19793	0.6
99.00725	0.2
99.04390	0.8
107.04904	0.3
109.02818	0.9
111.00718	0.2
111.04401	2.5
127.03887	2.2
128.58601	0.2
133.02844	1.2
134.03622	1.0
135.04411	23.6
136.04738	1.3
137.02361	1.6
155.03406	1.5
161.02347	3.6
171.02930	0.9
173.04465	30.4
174.04807	1.2
179.03413	20.9
180.03767	1.0
191.05534	100.0
192.05850	4.0
353.08780	3.7
353.13895	1.0
354.09042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.1
59.64784	0.4
69.76991	1.4
69.77398	1.2
71.01260	1.2
83.04919	0.7
85.02822	8.4
87.00742	1.6
91.05400	0.5
93.03342	4.3
98.20458	0.8
107.04910	1.5
109.02840	0.9
110.86116	0.4
111.04421	2.5
118.62263	0.4
127.03889	2.2
129.46442	0.5
133.02846	1.2
134.03633	6.0
135.04413	55.4
136.04741	1.9
137.02298	0.6
149.06052	0.4
155.03378	1.7
161.02356	3.2
171.03024	0.7
173.04451	5.1
173.61729	0.4
179.03418	45.8
180.03729	2.8
191.05537	100.0
192.05910	2.8
204.47694	0.5
223.99742	0.4
224.58127	0.4
302.12949	0.5
319.77350	0.5
353.08743	10.9
353.13199	0.6
354.09122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.8
67.01744	4.1
70.51559	5.7
71.01245	6.2
72.99198	3.6
73.02819	4.3
74.32967	1.9
79.93833	1.8
82.94426	1.6
85.02834	8.5
87.00756	6.8
89.02321	22.5
92.71280	1.6
93.03345	17.3
94.11421	1.8
94.47993	1.7
95.14586	1.8
98.02348	4.6
98.20497	1.7
101.02394	2.4
103.03922	2.7
107.04921	5.7
111.04385	4.3
119.04956	2.7
121.02852	9.7
121.56333	1.6
123.04450	3.0
130.06506	3.9
131.03421	7.5
131.04910	8.0
132.04469	1.8
133.02838	6.4
133.06522	2.6
134.03690	1.7
134.06007	19.9
135.04419	43.1
147.04451	4.1
149.04462	100.0
149.05980	93.4
149.07181	4.4
150.04787	1.8
150.06351	3.8
156.65097	2.2
158.06010	36.3
161.02455	4.2
163.03960	2.7
173.04506	20.3
175.03915	5.6
176.07106	16.3
178.02608	2.8
178.05019	4.2
179.03438	15.8
184.03920	2.4
191.05539	92.5
192.05832	2.6
193.05031	4.0
202.05025	43.6
203.18288	1.6
210.53517	1.8
220.06105	61.1
221.04581	2.0
221.06459	4.3
265.05038	2.0
339.05060	6.1
353.08746	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	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.04937	0.2
57.03334	0.3
59.01250	1.9
67.01751	0.5
69.33067	2.4
71.01246	1.1
73.02826	0.4
78.55948	0.3
81.03326	0.3
83.04906	0.5
85.02821	7.9
86.03149	0.4
87.00763	1.7
93.03328	4.1
94.71111	0.2
99.04401	0.4
107.04922	0.3
109.02814	0.7
111.04406	1.0
127.03899	2.0
133.02835	0.8
134.03625	1.5
135.04416	13.8
136.04729	0.8
137.02335	0.6
155.03363	0.4
161.02362	2.1
171.02994	0.8
173.04468	7.4
174.04816	0.4
179.03418	12.3
180.03726	0.6
191.05537	100.0
192.05896	4.0
225.09116	0.3
251.10899	0.5
280.10944	0.5
309.15097	1.5
353.08868	2.6
353.14038	1.4
353.23209	0.4
354.09344	0.3
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
55.01748	4.9
55.23486	1.0
59.00957	1.5
59.01250	21.6
69.30751	6.7
69.31175	3.6
71.01244	4.8
73.02843	1.3
75.00738	4.2
85.02819	3.0
89.02290	1.8
93.03310	5.1
94.63326	1.0
95.01233	1.6
95.04900	1.3
97.06470	8.0
98.20626	2.2
99.04365	1.7
99.08041	3.2
101.02318	4.5
105.03321	1.5
111.04366	1.5
113.79695	1.4
123.04394	3.7
123.08046	1.6
125.05991	5.7
127.03841	1.6
129.01859	5.0
133.02859	14.1
135.04417	2.6
141.09117	62.4
142.09459	2.3
143.07040	100.0
144.07365	3.6
147.02892	8.6
150.03127	1.7
165.03979	8.8
171.02899	4.3
173.04489	14.8
177.01874	5.1
179.03444	1.5
185.08134	18.6
188.33687	1.1
191.05513	4.3
203.09189	99.3
204.09550	6.2
219.12315	2.2
307.08575	1.2
307.12906	1.3
351.12930	44.5
352.13260	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	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01250	10.1
60.99170	2.8
66.73258	1.0
67.01760	8.3
69.03324	1.9
71.01249	4.7
71.50762	1.6
73.02802	2.6
77.03840	1.6
81.03329	3.4
83.04917	3.2
85.02818	9.5
87.00745	11.6
89.03825	1.1
91.05402	1.9
93.03336	51.4
94.03658	1.4
95.04891	5.8
99.00786	1.6
99.04403	2.0
102.28727	1.0
105.02709	1.6
105.03344	14.4
107.04886	5.5
109.02849	22.9
111.04403	7.5
112.54952	1.0
117.03339	1.7
123.04407	6.8
127.03922	2.1
129.01872	1.1
133.02849	100.0
134.03201	3.5
135.04414	33.8
137.02264	2.2
139.03894	1.6
149.02377	3.6
150.03137	9.9
151.03879	3.0
155.03407	4.3
157.04996	1.2
161.02368	1.9
173.04483	56.7
177.00298	2.1
177.01865	40.6
178.02272	2.4
179.03403	10.4
191.05551	65.7
192.05855	2.3
195.02797	1.4
197.22614	1.0
215.05565	46.9
216.05873	2.3
218.12314	1.3
242.28738	1.0
261.45584	1.1
307.08243	8.0
307.75732	1.2
347.35150	1.1
351.07196	26.3
351.21625	2.5
352.07800	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	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
54.46173	1.6
55.01759	3.4
57.03320	3.7
57.18844	1.6
58.00452	2.0
58.04736	1.7
59.01255	100.0
63.04924	1.5
64.26640	1.8
69.43469	1.6
70.69183	3.6
70.73741	1.4
71.01258	87.6
72.00346	2.2
72.01581	2.3
72.99178	6.7
73.02823	10.1
83.01259	7.3
85.02831	22.0
87.00756	5.5
89.02323	76.5
95.01249	5.2
95.34005	1.5
99.00761	5.1
101.02324	52.4
111.07998	2.0
113.02339	34.9
119.03391	34.7
129.05484	2.2
131.03410	3.9
143.03398	6.9
149.04460	8.4
155.07025	2.0
155.10612	3.0
159.02901	2.4
161.04463	25.2
178.63174	1.7
179.05530	16.8
180.61462	1.8
187.13374	13.2
199.09726	2.2
201.11295	2.5
205.62137	1.6
210.65903	1.9
217.10800	8.8
218.04539	3.2
271.06180	3.8
286.08536	2.9
301.10748	6.9
349.14929	5.6
349.18683	66.5
350.19043	7.9
373.52716	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	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.0
59.01250	10.1
60.99170	2.8
66.73258	1.0
67.01760	8.3
69.03324	1.9
71.01249	4.7
71.50762	1.6
73.02802	2.6
77.03840	1.6
81.03329	3.4
83.04917	3.2
85.02818	9.5
87.00745	11.6
89.03825	1.1
91.05402	1.9
93.03336	51.4
94.03658	1.4
95.04891	5.8
99.00786	1.6
99.04403	2.0
102.28727	1.0
105.02709	1.6
105.03344	14.4
107.04886	5.5
109.02849	22.9
111.04403	7.5
112.54952	1.0
117.03339	1.7
123.04407	6.8
127.03922	2.1
129.01872	1.1
133.02849	100.0
134.03201	3.5
135.04414	33.8
137.02264	2.2
139.03894	1.6
149.02377	3.6
150.03137	9.9
151.03879	3.0
155.03407	4.3
157.04996	1.2
161.02368	1.9
173.04483	56.7
177.00298	2.1
177.01865	40.6
178.02272	2.4
179.03403	10.4
191.05551	65.7
192.05855	2.3
195.02797	1.4
197.22614	1.0
215.05565	46.9
216.05873	2.3
218.12314	1.3
242.28738	1.0
261.45584	1.1
307.08243	8.0
307.75732	1.2
347.35150	1.1
351.07196	26.3
351.21625	2.5
352.07800	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35806	0.6
59.01251	40.7
67.80711	0.6
69.03338	1.0
69.37167	4.9
71.01252	3.4
73.02820	7.1
83.01255	1.1
83.04932	0.8
85.02830	1.3
89.02303	2.3
93.03295	0.9
97.06455	2.1
98.19809	1.3
101.02320	2.5
111.08033	2.2
113.02340	1.5
113.09620	2.0
125.05987	4.2
137.09584	1.6
139.07568	1.1
143.05945	1.5
143.07050	26.1
144.07419	1.2
149.04431	1.2
155.10689	31.6
156.11020	1.0
157.08612	76.2
158.08972	2.7
161.04489	1.3
181.36398	0.7
196.99751	0.7
199.09724	8.0
217.10770	100.0
218.11087	3.7
220.65367	0.7
247.11949	1.4
307.17526	1.2
313.07739	0.9
349.15042	25.0
349.22348	2.4
350.15485	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	349.1868
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01749	4.3
55.60572	1.0
57.03316	4.3
58.00468	6.0
59.01251	97.2
65.00180	1.3
69.03333	1.3
69.28687	4.2
69.29107	5.7
71.01253	100.0
72.99185	7.0
73.02816	17.9
83.01260	10.9
84.02127	1.0
85.02824	26.7
87.00773	5.8
89.02317	66.6
90.02634	1.3
95.01276	6.5
96.92905	1.1
97.02831	1.4
97.06446	1.0
99.00750	6.4
99.04391	1.3
101.02323	63.0
102.02668	1.6
107.01262	2.0
113.02335	38.5
113.71994	1.0
119.03394	29.2
125.02306	1.7
131.03392	3.4
132.32426	1.0
136.01558	1.2
141.09122	1.6
143.03397	5.5
149.04405	2.0
151.00269	6.7
159.02876	4.6
161.04469	26.6
169.01262	1.3
178.99805	4.6
179.05554	9.6
187.13333	10.2
201.11250	1.8
205.03447	1.2
217.10707	2.0
217.14345	9.4
225.58415	1.3
227.03319	1.2
243.03130	1.3
271.02472	8.4
272.02872	1.3
299.01947	5.9
300.02664	6.6
301.03354	2.5
331.04626	5.6
349.14685	1.9
349.18628	33.3
350.15286	1.6
350.19037	4.5
362.32239	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.5
59.01250	11.2
69.03352	0.6
70.07481	1.5
71.01259	3.7
71.04883	1.5
73.02800	1.5
81.03319	0.6
83.01253	0.9
83.04903	6.4
83.41550	0.4
85.02819	1.5
87.00745	0.5
87.04407	0.5
89.02304	1.7
97.02790	0.4
97.06485	0.8
99.00730	0.8
99.08038	0.7
101.02330	2.3
103.07445	0.4
109.06477	0.9
111.51009	0.5
113.02354	1.6
119.03381	1.0
127.11171	5.2
132.39363	0.5
135.08031	1.1
137.09616	13.3
138.09935	0.6
149.04498	0.9
153.09056	0.9
155.10690	25.3
156.11031	0.9
157.08479	0.6
171.10158	0.7
173.11766	6.8
181.08617	5.2
197.08072	0.9
199.09692	31.0
200.10034	1.8
201.11325	0.6
203.09169	0.7
215.09178	1.0
217.10764	100.0
217.69023	0.5
218.11110	5.1
305.11649	0.8
338.37799	0.5
349.11288	0.8
349.15033	17.1
349.18555	0.9
350.15421	1.2
374.67389	0.5
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
52.09528	0.8
58.82311	0.6
59.01252	100.0
60.01592	0.9
60.68126	0.7
61.76090	0.6
64.14719	0.6
71.01254	5.1
71.06817	1.1
71.07129	1.0
73.02840	2.6
78.79904	0.8
85.02818	1.2
89.02334	3.2
98.20617	0.8
100.08947	0.7
101.02335	3.6
111.08038	0.7
113.02315	1.7
119.03426	1.8
125.02371	1.1
134.03548	0.9
142.73909	0.9
143.03497	0.8
143.07082	1.8
155.10658	4.9
157.08601	8.0
161.04506	1.3
187.09726	0.7
187.28908	0.8
192.75850	0.7
199.09706	1.4
217.10786	12.3
217.14101	0.9
247.11906	1.3
305.10449	1.0
349.11447	0.8
349.15308	1.9
349.22528	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28045	2.3
55.54051	2.2
58.00467	2.2
58.29043	2.4
59.01250	95.8
61.25996	2.2
69.50977	16.7
71.01258	37.2
72.99175	2.2
73.02831	4.5
82.07219	2.4
83.01266	2.9
83.04893	4.7
85.02824	10.8
87.00759	5.1
87.04411	5.7
88.63188	2.8
89.02313	26.5
101.02321	21.1
113.02324	13.8
119.03386	11.0
127.11154	4.1
131.03333	3.2
137.09621	8.8
143.03404	2.7
149.04453	5.2
155.10692	23.0
161.04443	6.7
173.11749	4.4
176.79546	2.4
181.08597	4.1
187.13309	3.9
199.09694	31.7
201.11226	6.3
217.10770	100.0
218.11124	5.0
232.06122	2.4
305.10977	2.2
313.30167	2.9
343.07150	2.5
349.14978	19.9
349.18710	5.1
373.82370	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	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.7
62.09161	0.8
66.71177	0.8
70.39726	0.7
71.01256	4.7
71.02298	0.8
71.04906	2.0
71.49682	1.9
71.50061	0.9
73.02815	4.0
73.03210	0.9
83.04903	0.9
84.83377	1.0
85.02834	2.1
89.02317	2.0
91.23792	0.9
97.06467	5.2
98.15562	1.0
99.00758	21.3
99.01360	1.4
101.02334	3.8
110.03651	0.9
111.08059	3.0
113.02389	1.6
117.06972	1.3
119.03445	1.2
123.04366	1.8
127.11201	2.0
133.06679	0.8
135.08047	4.1
141.05498	1.2
141.09111	1.8
142.02629	1.4
146.38887	0.9
149.04483	1.2
153.09122	25.7
155.07077	5.6
161.04497	1.5
171.10204	8.2
179.07085	2.7
197.08130	19.5
215.09200	100.0
215.12762	3.9
216.09511	7.1
347.13361	11.7
347.17178	4.7
369.99545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43423	1.1
58.69439	0.9
59.01246	3.6
59.26525	1.1
63.02266	8.2
65.00194	12.3
69.30042	8.7
69.30453	2.0
71.01237	1.4
83.01263	7.9
86.19222	1.0
89.02299	1.0
107.01268	21.0
109.02839	5.5
114.93401	1.1
119.01311	2.2
121.02847	2.8
123.04408	2.9
124.01568	2.1
125.02316	3.0
133.02811	2.6
135.00819	1.2
136.01585	13.4
137.02303	1.2
143.04909	1.1
147.00768	7.9
148.01538	3.4
151.00282	77.2
151.03896	2.1
152.00906	5.9
153.01839	2.4
159.04376	1.7
161.02383	1.2
163.00342	7.1
163.03879	1.1
164.01086	1.5
165.01859	2.0
167.03378	3.3
169.01376	5.3
171.04443	3.3
173.02444	1.5
175.03896	3.3
178.99792	44.5
179.03383	4.3
180.00137	1.3
183.04454	2.9
187.00327	1.8
187.03944	2.4
189.01823	2.0
195.02959	2.9
199.03917	12.6
201.01930	3.5
206.99303	2.0
207.02899	1.4
211.03917	1.9
215.03366	1.6
217.14435	1.7
226.02716	1.6
227.03477	10.8
228.03972	1.7
231.02876	2.9
243.03017	10.9
255.02985	9.0
256.03650	4.1
257.04532	1.9
271.02478	100.0
272.03110	18.2
273.03961	3.9
287.05591	2.1
299.01950	63.6
300.02725	78.7
301.03406	21.8
302.03967	1.6
303.05130	1.8
307.17676	1.7
331.04590	75.8
332.04874	7.0
349.05200	2.0
374.48657	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	347.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
59.01250	7.1
59.51487	0.5
70.98258	1.0
70.98583	0.6
71.01263	5.3
71.04893	2.4
73.02818	2.2
73.75073	0.5
83.01257	0.6
83.04910	1.4
85.02824	2.0
89.02303	2.6
95.01257	0.5
95.04898	1.1
97.02834	1.7
97.06470	6.3
99.00764	31.6
100.01083	0.7
101.02302	2.7
110.03620	1.0
111.08031	0.7
113.02331	1.9
117.07006	2.2
119.03413	0.7
123.04430	2.5
125.09621	0.7
127.11201	1.2
133.06480	0.6
135.08069	5.3
142.02594	0.6
149.04457	0.9
153.09128	26.0
154.09436	1.6
161.04469	1.2
171.10187	6.2
179.07076	4.9
195.32465	0.4
197.08142	25.1
198.08528	1.3
215.09210	100.0
216.09523	6.1
234.98174	0.5
260.24405	0.7
305.15805	0.5
347.13449	9.4
347.17093	1.3
348.13715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00446	1.5
58.77540	1.5
58.77849	1.7
59.01245	5.7
70.47218	4.4
71.01251	6.0
78.95793	2.1
79.82648	1.5
90.81786	1.7
92.22861	1.6
97.06464	5.1
98.19932	2.0
107.04920	1.7
119.04919	3.4
121.02811	2.5
123.04399	3.1
133.06438	2.6
143.04880	2.2
145.02846	15.1
145.06464	3.6
146.03679	4.0
147.04416	5.9
149.02324	2.2
158.03676	3.1
159.04405	3.0
161.05991	15.6
171.04497	8.9
171.05824	2.2
173.06056	13.1
174.03166	8.5
174.06734	2.3
187.03874	2.8
187.07645	2.3
188.04755	2.3
189.05511	61.9
189.09105	5.5
190.05792	2.9
192.07646	2.1
202.06316	3.1
203.07127	2.2
217.08656	24.1
218.09334	4.3
219.06589	42.1
219.09940	3.0
220.06949	3.2
245.08438	1.8
245.11641	2.5
247.09709	16.6
248.10510	100.0
249.10913	7.9
268.29001	1.8
317.17572	3.4
345.13376	3.5
345.16934	6.4
345.20844	3.3
345.25406	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	345.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	1.6
58.24152	0.7
59.01252	32.2
71.01235	1.3
71.50840	1.2
82.17606	0.6
83.04852	0.9
97.06403	1.4
99.08044	6.2
109.06461	1.2
111.08057	0.8
113.09583	1.5
123.04337	0.9
125.02292	2.3
125.09543	0.9
127.11143	1.3
129.08261	0.9
129.09109	12.0
137.09525	0.8
139.11134	0.9
143.10667	6.0
151.00197	1.1
152.19279	0.8
153.94620	0.8
155.10622	2.3
169.12291	0.8
173.11766	0.8
213.14899	2.6
225.18474	0.7
227.20087	1.0
237.18575	4.6
239.20111	2.5
248.10481	0.7
255.19632	2.7
257.21228	10.3
260.51160	0.7
271.02719	0.7
285.04056	2.4
285.20709	21.7
286.21054	1.6
302.99161	0.8
303.21762	100.0
304.22092	9.4
314.04398	1.7
345.17047	2.3
345.22815	24.5
345.26224	1.3
346.23193	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	346.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68288	1.0
54.19601	0.9
59.01242	4.4
61.98703	100.0
71.48664	2.0
72.85594	1.1
76.28815	1.0
96.03184	1.2
99.15609	1.0
107.47161	1.1
111.27613	1.3
125.12851	0.9
131.31244	0.9
202.02571	2.1
203.02307	3.5
203.98019	2.0
203.99928	40.6
205.00136	2.7
248.60551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.3
63.02268	2.9
65.00198	3.7
69.34430	5.1
69.34835	1.6
73.02843	0.9
73.06190	0.8
74.81812	0.9
83.01260	2.3
93.03320	1.5
95.01257	0.8
101.02338	1.1
102.85712	0.8
107.01276	7.5
108.02085	1.0
113.02356	0.8
116.87394	0.7
117.03352	2.5
121.02818	0.9
123.04414	1.0
124.01551	0.7
125.02338	0.8
131.04872	0.9
132.02090	1.4
133.02852	1.1
134.03583	1.5
135.00766	1.1
143.04893	1.2
145.02885	1.2
147.04401	0.8
149.05977	5.4
151.00264	25.4
152.01067	9.0
155.04982	1.0
159.04439	2.7
163.00253	1.2
164.01073	0.8
165.01846	0.8
167.03409	2.2
167.04800	0.7
169.01337	2.5
177.05463	1.0
178.99751	9.2
182.03737	1.5
183.04428	7.3
187.03886	1.5
188.04733	2.9
189.99017	0.7
195.02881	1.7
195.04485	1.5
205.04993	1.5
206.05757	6.8
211.03888	4.0
213.05460	1.5
215.03577	1.0
227.03430	16.1
228.03929	1.4
231.60333	0.7
239.03436	3.4
240.04166	2.3
241.05135	1.3
243.06607	0.8
255.02966	64.4
256.03613	14.9
257.04474	3.2
258.12280	0.8
271.06021	0.8
283.02478	35.5
284.03232	51.7
285.03970	13.1
286.04364	1.0
315.05099	100.0
316.05353	8.2
347.07718	18.3
347.11749	1.5
348.07916	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	345.1665
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
54.23036	0.3
59.01254	2.3
59.85232	0.3
63.76408	0.3
69.35905	2.8
71.01250	2.1
72.99190	0.4
73.02819	1.8
79.24725	0.3
79.94246	0.4
85.02826	0.5
87.00731	0.4
89.02312	1.8
93.03348	1.3
95.04910	0.4
98.20536	0.7
101.02314	1.0
109.02841	2.4
109.06452	0.3
113.02328	0.6
119.03352	0.5
121.02802	1.0
121.10057	0.6
123.04396	1.0
126.09087	0.4
131.03384	1.1
133.02898	0.6
135.04396	0.5
136.01566	0.6
149.02432	0.4
149.04460	3.1
151.03894	2.3
153.01840	1.0
163.03911	0.5
165.46536	0.4
168.04172	0.7
169.12064	0.6
169.13391	6.9
170.11781	10.3
171.12102	0.6
173.04515	0.6
183.06506	0.4
191.05489	0.7
213.12396	100.0
214.12735	5.0
267.06601	3.6
282.09000	2.1
297.11328	5.4
298.11615	0.4
345.10754	0.4
345.16473	2.3
354.11945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.7
59.01250	7.8
69.03266	0.7
71.01250	18.5
71.49920	0.7
78.95772	2.7
97.06474	5.4
116.65749	0.6
117.03355	1.6
119.04895	1.0
121.02840	0.7
123.04402	1.2
145.02853	26.6
146.03214	1.5
147.04422	11.8
150.03166	0.7
152.99554	0.7
161.05962	1.1
173.06033	1.1
175.03911	2.5
175.07497	3.3
189.05508	7.7
189.09065	1.0
197.11748	1.4
203.07115	0.9
217.08641	2.1
219.06561	5.2
220.07246	0.7
236.56578	0.7
247.09691	3.1
248.10498	100.0
249.10913	9.6
277.01474	0.7
285.12268	3.2
286.14548	0.7
309.20700	1.5
345.13589	0.8
345.17163	1.4
360.80780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61736	0.8
55.01759	7.0
58.07586	0.9
59.01242	2.6
67.01759	1.5
68.80283	1.1
71.01267	2.7
71.48784	1.6
71.49210	1.1
72.99139	1.2
75.00751	1.7
78.52056	0.9
83.01254	1.5
85.02829	1.2
89.00224	2.5
89.02328	1.9
91.01759	1.9
93.03338	1.6
101.02309	1.8
106.00484	4.2
107.50330	1.0
111.00772	1.6
111.04433	1.6
119.04951	2.4
121.02840	49.6
122.03153	2.2
123.00774	2.8
123.04422	1.2
127.00274	1.6
129.01828	4.5
135.04402	2.8
138.03120	4.0
147.02901	6.1
151.03903	0.9
153.05486	36.7
154.05849	1.1
155.03368	1.2
163.03958	2.2
165.01855	1.4
165.03926	4.9
166.99780	1.4
173.04506	2.7
176.03531	1.0
179.03439	3.0
182.02148	5.4
191.05518	4.5
197.04489	100.0
198.04866	5.6
224.58441	1.0
229.04367	1.0
234.68280	1.2
337.57605	1.0
345.08221	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	345.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.3
59.01245	15.9
62.01674	2.6
71.01251	14.0
72.99196	9.7
76.03032	3.6
81.03338	5.2
87.00735	5.7
89.02323	20.0
93.03341	16.2
95.04903	7.1
96.28415	3.0
98.19768	7.1
105.03310	3.7
107.04935	15.2
108.02023	4.4
109.02870	6.7
111.04391	3.1
112.33223	3.2
113.82277	3.0
119.14141	2.8
121.02811	3.7
123.04424	38.1
131.03409	10.0
133.02887	18.4
135.04427	28.4
137.02356	5.4
149.04459	77.0
151.03917	77.4
151.05072	6.3
151.95821	2.8
169.13365	5.6
170.11758	7.1
173.04446	5.8
177.01833	8.6
178.02606	3.2
179.03413	5.3
188.87439	3.0
191.05562	6.4
195.02930	7.4
213.03944	13.1
213.12456	100.0
214.12729	5.6
257.12897	3.9
277.52768	3.3
345.16165	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	345.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62476	1.1
55.27260	1.0
59.01249	3.0
63.30878	1.1
65.00195	17.4
70.79873	2.1
71.01250	1.2
73.20267	1.2
83.87101	1.0
89.00185	5.8
91.01766	2.3
93.03323	1.9
97.02821	11.0
98.18750	1.3
107.01270	2.1
108.02078	1.3
109.02840	6.3
119.01283	5.0
121.02863	9.2
124.01545	3.6
128.16327	1.3
135.04370	1.6
136.01555	9.8
138.03084	1.1
139.03899	2.7
147.00793	12.3
148.01595	1.1
149.02327	2.3
149.04494	1.4
149.99490	4.3
151.00267	7.0
151.03923	1.2
153.01671	1.3
157.02873	1.5
158.03703	1.7
159.04396	1.5
161.02347	2.1
164.01137	1.5
165.01848	58.8
166.02521	3.3
169.01408	1.4
171.04395	1.9
174.03188	1.3
179.03421	9.6
181.05009	2.4
182.99089	1.3
183.04433	2.6
185.02415	1.3
186.03188	2.4
187.07613	2.0
189.05510	1.2
193.01378	9.2
198.03136	6.7
199.03947	1.4
209.04509	2.2
211.03868	1.3
211.84952	1.2
213.01837	4.7
214.02640	9.2
215.03101	2.1
215.06946	1.2
216.00711	1.2
225.01920	1.4
226.02577	7.5
227.03424	5.9
231.10052	1.6
236.03114	1.3
242.02191	23.2
243.02847	3.3
248.10634	1.4
253.01425	1.4
254.02211	4.3
255.02922	4.0
256.03668	1.2
257.04431	1.5
269.00970	2.6
269.04547	2.0
270.01697	34.4
271.02399	26.4
272.02914	2.6
282.01682	5.5
283.02539	2.8
285.04044	77.4
286.04666	10.3
298.01184	8.0
299.01978	60.6
299.05399	2.5
300.02252	6.8
312.38681	1.2
312.99838	2.0
313.03543	59.1
314.04291	100.0
315.04996	23.4
345.06134	3.4
345.17126	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.06796	0.5
57.03334	0.7
58.49635	0.6
59.01245	1.2
59.49420	0.6
62.74586	0.6
69.03313	1.8
71.07619	0.8
71.07963	1.1
83.04907	1.2
93.44584	0.6
95.04855	0.6
95.29065	0.5
97.06463	0.9
99.08038	6.5
113.09618	0.6
121.10130	4.4
125.09602	1.2
127.11176	1.6
137.09579	0.9
139.11220	0.9
143.05432	0.5
165.12766	0.9
171.10185	27.7
172.10490	1.3
175.11218	0.8
193.12277	10.7
194.12491	0.7
207.36575	0.5
208.95908	0.6
211.13316	1.9
225.14915	15.3
226.15384	0.9
243.15971	5.5
285.06357	0.6
293.21143	3.1
311.22147	0.9
325.23923	1.2
343.24881	100.0
344.25177	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	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76970	0.5
57.03317	1.0
59.01255	3.5
68.84077	0.4
69.03319	2.0
69.19650	0.5
71.01247	1.0
71.50030	0.8
75.43230	0.4
81.03323	0.6
83.04898	1.6
89.02323	1.1
97.02818	0.5
97.06489	1.0
99.08035	9.8
100.08415	0.5
111.08024	0.7
115.07553	0.7
121.02824	0.9
125.09601	1.8
127.11180	0.6
129.09152	0.6
137.09599	1.7
149.13263	0.7
151.11237	0.4
165.12767	1.1
171.10223	4.9
175.11266	1.0
185.11693	0.5
186.64206	0.4
193.12286	16.5
194.12575	0.9
197.15373	0.7
201.05467	0.5
211.13362	3.6
217.01358	1.2
220.21597	0.5
225.14919	23.8
226.15303	1.6
234.36870	0.4
243.16016	8.5
244.16219	0.6
246.05388	0.9
265.41998	0.4
270.01559	0.5
293.21213	2.8
307.22824	0.7
311.22223	1.4
313.03577	1.8
325.23834	1.9
327.50348	0.5
328.05881	0.8
343.08160	1.4
343.24890	100.0
344.25272	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	343.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01248	2.1
63.63993	0.3
69.03320	1.3
70.03859	0.8
70.04259	0.6
71.01261	0.5
77.92231	0.3
80.02554	0.3
83.04900	1.4
85.02823	0.4
95.04893	0.3
97.06480	0.6
99.08041	9.2
99.52844	0.3
121.02859	0.7
121.10104	2.0
125.09612	1.3
126.19989	0.3
127.11172	0.7
137.09633	1.1
138.39888	0.3
139.11198	0.7
151.11185	0.4
153.09009	0.5
163.11267	0.5
165.12746	1.0
171.10188	16.1
172.10561	0.7
175.11102	0.6
185.11768	0.5
193.12279	16.1
194.12560	0.8
197.15410	0.8
200.01570	0.3
211.13362	3.2
225.14917	22.2
226.15285	1.5
243.15999	8.8
244.16525	0.7
246.50940	0.3
293.21344	2.2
311.22311	0.6
313.03607	0.4
325.23865	0.8
343.24896	100.0
344.25241	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86901	0.2
59.01252	1.3
71.01274	0.4
78.15183	0.3
89.02328	0.3
99.07996	0.3
101.02262	0.2
108.63146	0.2
113.09522	0.3
113.35315	0.2
121.10113	11.3
122.10461	0.3
125.09619	1.0
127.11187	2.8
137.09610	2.3
139.11197	2.1
153.09129	0.6
153.12820	0.3
159.82957	0.2
165.09103	0.9
171.10173	66.8
172.10521	3.1
210.07489	0.3
225.14944	0.4
293.21201	1.5
325.23779	0.6
343.24860	100.0
344.25214	12.0
344.29474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44997	0.3
57.03323	2.3
59.01250	27.6
60.01562	0.4
69.03316	1.1
71.01237	1.2
71.04884	1.4
71.50666	0.8
72.99197	0.7
73.02792	0.6
74.50902	0.3
79.05402	0.7
83.04886	0.6
85.02824	0.8
85.06464	0.8
87.00748	0.6
95.04937	0.4
97.06470	3.3
101.02314	0.4
107.04877	0.5
111.00763	4.2
111.08027	1.3
113.09605	0.8
115.07494	0.5
121.02847	0.9
123.04432	0.3
127.11192	0.5
127.37615	0.3
129.09088	1.3
135.11728	0.6
143.07033	0.5
143.10664	1.0
149.09618	0.7
149.13312	0.7
155.10678	1.2
157.12250	5.7
163.14819	1.0
177.16377	1.9
181.12219	0.4
181.15938	0.6
185.11732	0.7
191.17976	0.7
211.09769	1.1
211.13379	2.1
225.11206	0.6
233.58867	0.4
237.18504	2.7
283.19138	20.8
284.19498	1.4
301.20200	100.0
302.20535	8.4
343.15176	0.8
343.21234	14.0
344.21664	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01252	32.5
59.17693	0.6
69.03336	0.7
70.63425	2.3
71.01247	1.2
71.04899	4.6
72.99203	0.8
73.02827	1.0
80.16856	0.6
82.18518	0.6
83.04903	2.9
84.00912	0.6
85.02845	1.3
85.06421	0.7
88.77737	0.6
99.07487	0.6
99.08018	4.2
105.19065	0.6
111.04393	2.5
111.08046	0.9
121.02834	0.9
125.09612	2.9
126.79324	0.7
129.09116	11.3
151.03961	1.0
163.14839	1.3
171.13792	1.2
180.05736	1.3
183.13802	1.6
199.13266	0.8
237.18636	3.4
255.19684	1.5
265.18134	2.6
283.19147	23.4
284.19318	1.6
301.20206	100.0
302.20557	7.5
343.11798	1.1
343.15387	0.8
343.16626	0.9
343.21246	17.9
344.21481	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	343.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64368	1.6
52.96619	2.0
59.01250	100.0
60.01566	2.7
71.01244	4.6
71.29533	3.2
78.95847	1.8
83.34547	1.8
89.02333	2.7
114.62514	2.0
121.02850	1.7
121.03832	2.2
162.18521	2.1
220.23010	2.1
313.03503	8.3
325.21808	3.0
328.05975	2.5
343.08148	7.2
343.25015	3.6
343.28745	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	343.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81213	0.8
59.01253	4.3
67.01765	1.0
70.99453	1.4
70.99786	1.0
71.01260	1.3
71.04865	0.8
71.61605	0.6
73.02813	3.0
79.05361	0.6
83.04910	1.3
85.02808	1.0
85.06469	1.7
87.00755	4.3
90.52480	0.7
97.06452	1.2
99.08103	0.6
107.18087	0.8
111.00764	16.6
112.78501	0.8
131.03406	2.5
135.04356	0.8
135.11713	3.5
148.05222	0.8
149.09680	1.0
149.13237	0.8
158.15472	0.7
167.14297	1.1
173.00841	1.0
179.05414	0.8
181.12231	1.6
211.13341	100.0
212.13702	6.2
283.19061	1.3
301.20212	6.4
343.14001	2.4
343.17615	2.3
343.21213	4.9
344.21738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.8
59.92583	0.5
69.03328	1.2
70.99224	1.1
70.99551	0.7
71.01254	6.7
72.99171	0.7
84.02039	23.5
85.02369	0.8
85.02834	0.9
86.43113	0.5
89.02316	7.4
97.02826	8.9
97.06451	0.8
99.04408	5.7
101.02332	2.7
113.02306	1.9
119.03371	3.2
119.08556	2.6
125.09620	0.8
127.11150	1.6
135.08054	1.8
137.09616	1.4
138.48569	0.6
143.03477	0.7
153.09108	0.5
161.04468	1.3
171.10179	65.6
172.10516	3.1
179.03249	0.6
179.05547	3.5
225.14915	1.1
253.14371	1.0
291.19620	0.9
326.11734	0.6
341.11093	3.1
341.23315	100.0
342.23737	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05364	1.4
59.01250	100.0
60.01575	1.8
60.71780	1.4
62.12378	1.4
67.53954	1.5
69.74656	4.9
69.75055	3.1
75.61289	1.4
98.20544	3.0
112.29971	1.5
136.16748	1.5
150.52815	1.5
157.03514	7.1
159.01392	7.3
201.02493	88.9
202.02689	9.6
262.05008	1.7
281.87469	2.0
288.51785	1.5
343.07849	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.5
65.00195	1.0
67.01772	0.9
67.56151	0.7
68.99679	0.8
70.69809	2.6
71.01249	4.1
73.02814	2.3
81.03314	1.3
83.01285	1.2
85.02814	1.9
87.00732	1.6
89.02306	0.9
93.03381	1.2
95.01266	2.6
101.02315	1.2
108.02079	2.6
109.02831	1.9
111.00782	2.1
119.04910	3.5
121.02869	2.0
123.00766	30.5
123.04389	1.6
124.01587	1.5
125.02386	1.9
127.00260	2.4
130.08620	1.0
136.98717	1.1
137.02333	9.3
137.99355	0.8
138.02028	1.7
138.03123	33.3
139.00273	2.1
139.03976	1.0
141.01836	1.6
149.02350	1.5
149.04425	1.1
153.04262	1.8
153.05484	30.0
153.73730	0.8
155.03476	1.3
163.03911	3.1
165.01874	1.3
166.99789	8.6
181.04929	1.0
182.02124	32.1
183.02496	1.8
191.05519	2.4
197.04483	100.0
198.04854	4.6
233.51424	1.0
237.11438	0.9
343.10349	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	341.124
Annotation	Bidenoside D
Peak:m/z	Relative Intensity
52.55349	1.0
55.01747	1.5
57.03331	1.2
58.00451	2.2
59.01250	100.0
68.01259	1.6
69.03310	1.8
71.01255	61.5
71.49430	1.5
72.01566	1.5
72.99176	3.0
73.02819	62.5
75.00749	1.5
83.01263	18.2
85.02825	4.5
89.02322	20.1
93.03358	1.0
95.01269	1.5
97.02831	1.9
99.00807	1.6
101.02323	48.1
102.02684	0.9
107.01319	1.0
107.04886	2.0
113.02331	15.0
119.03461	6.4
119.04916	21.8
121.02833	1.5
123.03133	4.1
125.02306	3.7
131.03400	3.5
134.03589	1.7
135.04356	1.5
137.02336	1.4
137.06009	5.7
138.05511	53.1
143.03362	4.1
147.27843	0.9
149.04457	4.8
151.03912	1.3
161.04471	9.8
164.04663	1.4
165.05556	1.2
167.05772	0.9
179.03319	1.4
179.05515	5.1
180.06587	2.3
191.07211	0.9
200.83022	0.9
209.04428	2.7
227.12900	1.0
299.11270	5.4
300.11328	1.4
341.11850	6.4
341.16046	1.6
342.11905	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98447	0.6
57.03313	0.9
59.01242	2.6
61.59425	0.7
66.87068	0.7
69.03337	1.7
71.01250	1.7
75.13612	0.6
83.04903	1.1
84.02039	14.9
89.02307	2.8
93.26266	0.7
97.02824	4.8
97.06467	7.6
99.04388	3.9
119.03349	0.7
119.08540	2.0
125.09602	1.6
127.11170	1.7
135.08014	0.8
137.09625	1.4
140.44916	0.6
153.47087	0.7
165.12836	0.7
171.10175	41.5
172.10503	2.5
177.12589	0.7
179.05464	1.1
183.13835	1.0
193.12280	9.0
197.15256	0.8
211.13322	2.9
221.11748	1.2
225.14905	13.4
226.15204	1.1
229.19966	0.9
243.15979	6.6
291.19678	2.8
341.23303	100.0
342.23663	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	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
57.03300	1.4
57.24211	0.7
58.00470	0.9
59.00959	1.1
59.01251	17.6
68.76875	0.7
69.03330	1.1
69.32131	6.5
71.01254	13.6
71.04893	1.8
72.99161	1.0
73.02811	2.5
75.00745	1.9
76.74020	0.7
77.16724	0.6
81.03329	4.6
83.04883	3.9
85.02827	1.8
87.00779	1.1
89.02315	11.6
92.83906	0.7
93.03337	2.5
95.04913	0.8
97.02863	0.7
98.20515	1.5
101.02327	6.6
103.00227	1.3
108.31995	0.7
109.02827	0.9
109.06462	1.3
111.04408	10.0
111.65034	0.7
113.02346	3.8
117.01810	1.8
119.03415	4.9
121.02850	0.7
123.04429	1.7
123.08054	2.3
124.02757	0.7
131.03372	1.2
133.02878	0.9
133.10126	2.0
135.02898	11.5
135.04410	1.8
135.11699	19.9
136.12027	1.2
137.02335	0.8
137.05945	3.7
143.03369	1.4
147.11752	1.3
151.07576	4.8
151.11166	2.1
161.02324	3.1
161.04466	1.7
161.09618	2.6
165.12808	0.8
169.08646	2.8
171.10164	9.5
179.03401	2.2
179.05603	5.3
179.10696	100.0
180.11028	6.9
201.11240	1.9
209.11783	1.7
213.11264	1.2
223.09659	13.0
224.09996	0.9
297.13675	0.7
299.18622	2.0
308.97192	0.8
311.09109	0.9
341.11304	4.7
341.19724	2.5
351.13010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84013	0.7
55.01760	1.6
55.61794	0.8
58.00469	1.9
59.01254	100.0
64.68066	0.8
70.85137	1.7
71.01257	47.8
72.99193	2.9
73.02822	63.2
75.00753	4.0
76.77198	0.8
83.01259	15.6
85.02796	4.0
86.65596	0.8
87.00751	4.0
89.02322	32.0
95.01265	1.2
101.02325	62.0
105.01765	0.9
108.14603	0.9
113.02338	18.3
113.03089	1.5
117.03402	1.0
119.03408	27.2
119.04899	20.9
120.05293	1.1
125.00220	0.8
125.02349	0.9
131.03348	4.4
134.03645	11.4
135.04468	2.2
137.05937	1.7
143.03418	5.8
147.02878	1.4
149.04482	4.0
151.03957	1.1
155.03430	1.0
157.56987	0.8
161.04465	10.4
163.85495	0.8
165.03992	12.5
179.05565	9.1
191.40297	0.9
193.04990	10.0
299.11346	26.4
300.11688	2.2
311.11115	2.6
326.13596	1.7
341.11230	4.7
341.16119	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	341.0878
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.30730	1.8
56.70557	1.7
58.00463	2.3
59.01252	28.5
71.01253	25.5
71.28663	3.4
73.02812	6.6
83.27187	1.5
85.02811	2.9
88.80894	1.8
89.02317	34.0
91.05424	2.2
101.02323	15.8
107.04867	2.3
113.02304	10.4
117.03378	3.5
119.03388	12.1
119.04906	2.5
130.72380	1.7
134.03625	57.7
135.04414	100.0
136.04736	3.0
137.02335	4.5
137.05968	4.2
137.58990	2.1
138.05510	2.1
143.03368	5.1
149.06004	3.1
151.03838	2.1
161.04448	4.2
179.03418	89.4
179.05490	10.7
180.03719	3.7
193.04982	87.5
194.05389	3.8
230.90607	2.1
237.49193	1.8
273.82004	1.9
305.43878	2.0
341.09100	6.5
341.10699	7.7
355.84732	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.2
56.88329	0.5
57.03346	0.6
59.01255	4.8
61.17595	0.5
62.27164	0.5
69.80077	2.3
69.80499	0.9
71.01257	4.4
73.02807	1.8
75.00754	0.8
83.01260	0.7
85.02863	0.8
89.02314	2.8
89.03838	1.6
98.19910	0.8
99.00768	1.9
99.73247	0.4
101.02337	3.5
113.02328	1.1
115.04089	0.6
117.03344	6.2
119.03383	1.7
129.01842	4.1
133.02847	0.6
133.37866	0.5
134.03633	65.4
135.03976	2.7
137.02327	1.1
147.02888	10.2
149.05994	5.4
150.06360	0.7
165.03969	3.0
173.44949	0.6
178.02637	3.5
179.05513	1.7
179.06995	0.7
193.04991	100.0
194.05327	4.9
194.37260	0.4
225.05064	0.7
239.14563	0.5
299.11215	0.6
311.11130	1.6
326.13507	2.1
341.08377	2.8
341.15643	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	341.1242
Annotation	Pectinolide D
Peak:m/z	Relative Intensity
55.01750	2.3
57.03318	1.5
57.12292	0.6
58.00462	1.7
58.29294	0.7
59.01252	45.7
67.01812	0.7
69.03339	1.3
69.40588	6.0
71.01256	24.4
72.99174	2.1
73.02820	32.2
74.03146	1.1
83.01255	6.7
85.02361	0.9
85.02831	10.8
87.00735	4.9
89.02321	6.6
95.01274	1.1
97.02821	1.4
98.20545	1.3
99.00755	2.8
101.02323	27.1
109.73548	0.8
111.00765	0.9
113.02328	5.6
118.24858	0.7
119.03396	3.3
124.01538	0.6
127.52673	0.6
130.08665	0.7
132.83237	0.7
133.02885	0.9
135.04480	1.1
143.03406	1.3
161.04474	37.6
162.04779	0.8
164.04742	1.4
165.57124	0.7
179.05479	3.3
179.06999	1.5
189.27180	0.6
200.81895	0.7
225.59872	0.8
256.30087	0.7
282.08801	0.7
299.11359	100.0
300.11661	7.3
341.11163	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	341.1241
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
52.54108	0.5
53.71864	0.4
59.01252	15.4
63.38575	0.4
70.32343	0.9
70.32735	0.7
71.01250	9.2
71.01624	0.7
72.99206	0.6
73.02816	5.8
75.64041	0.4
80.91565	0.6
82.27225	0.4
83.01279	1.8
84.28126	0.4
85.02841	1.4
87.00788	0.5
89.02319	7.7
90.07076	0.4
93.03374	0.4
94.37972	0.4
99.01469	0.4
101.02327	8.2
105.78218	0.5
107.04911	0.7
109.02838	0.6
113.02319	2.9
119.03401	3.2
119.04902	3.6
131.03429	0.9
137.02362	0.9
137.06027	1.4
143.03421	1.3
149.04500	0.8
161.04466	1.6
163.03885	2.3
164.04703	100.0
165.05051	4.2
179.05713	3.0
179.07057	85.9
180.07401	4.1
195.34499	0.4
295.06113	0.8
299.11307	1.6
311.09265	0.6
341.11633	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.70351	0.4
58.26867	0.4
59.60855	0.3
68.15352	0.4
94.12102	0.4
114.35783	0.4
140.77956	0.4
147.08006	0.4
163.11194	100.0
164.11528	6.1
183.01094	0.4
339.23276	63.7
340.23605	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	340.1553
Annotation	Secocularidine
Peak:m/z	Relative Intensity
55.01741	0.9
59.01007	0.6
59.01252	7.8
65.07569	0.5
69.51358	3.3
71.01254	6.3
73.02830	2.2
87.00777	0.6
89.02310	4.0
89.03810	0.5
99.00759	0.7
101.02319	3.6
113.02311	1.7
117.03336	2.0
119.03391	2.1
119.04906	0.9
129.01799	0.9
129.43642	0.5
134.03627	21.6
135.04401	1.8
137.02333	0.5
143.03397	0.8
143.33611	0.7
147.02888	1.7
149.04436	0.5
149.05963	1.9
158.44881	0.5
161.04347	0.5
178.02620	1.3
178.31866	0.5
179.05481	1.8
179.06949	0.7
193.04999	26.0
196.05191	2.0
208.05182	0.6
209.02293	0.5
224.04729	42.6
225.05115	2.9
227.03381	0.7
237.05469	0.9
238.02650	1.0
238.06259	1.0
239.03497	0.7
239.07147	5.5
240.04173	1.0
240.07083	0.4
251.03424	2.1
252.04243	24.8
253.04665	2.1
254.11775	1.1
265.05063	0.7
266.05655	0.5
266.11688	0.7
267.03571	0.6
267.06595	11.4
267.09216	0.9
268.07016	1.3
280.89835	0.6
281.07855	0.6
282.08948	0.7
282.11359	11.6
283.11719	1.2
284.03204	1.6
299.11453	0.9
309.09824	0.8
310.10849	79.3
311.11182	6.9
312.12494	0.6
325.13181	77.5
326.13559	7.6
340.15524	100.0
341.11435	0.9
341.15854	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	339.1235
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
58.54586	0.5
59.01317	2.4
67.70975	0.4
69.82384	2.9
71.01289	0.5
73.02865	0.4
117.03420	1.1
124.96526	0.5
135.04411	5.1
136.47743	0.5
145.02869	4.4
146.03735	1.1
148.62372	0.5
157.03006	0.7
161.02446	0.8
162.03258	0.5
163.04034	2.1
169.92625	0.5
179.07108	1.4
179.08588	0.8
191.08627	1.0
193.06570	1.0
195.08116	1.0
205.95531	0.5
207.08185	2.6
209.06032	1.0
210.06755	0.7
217.06448	2.4
219.08055	2.6
220.05205	1.1
221.06027	3.1
222.06613	0.9
223.07648	1.2
223.13449	0.7
224.04762	0.8
225.05579	0.8
225.09134	1.2
233.06104	1.5
234.06747	2.2
235.07628	8.1
236.08241	1.4
237.05638	0.8
237.09160	1.7
239.07137	1.4
245.06004	2.6
246.06897	1.9
247.07678	2.4
248.04707	1.1
249.05333	0.7
251.07211	1.4
252.04265	0.6
252.07881	1.1
253.05037	0.8
253.06088	0.6
253.08665	4.9
254.09024	0.6
261.05591	0.7
262.06342	2.7
263.07104	20.2
264.07611	3.5
265.05237	0.5
265.08670	2.2
267.10175	0.8
268.11096	2.4
273.05679	1.4
274.06372	1.6
275.07010	2.4
276.07928	1.2
279.06671	0.7
280.07541	3.2
281.08191	32.2
282.08566	2.6
290.05646	0.8
291.06613	8.5
291.09601	0.9
292.07339	3.4
293.04987	0.5
293.08127	7.8
294.08899	4.6
295.09717	2.2
296.10437	4.9
297.11099	0.6
306.09100	0.6
307.09753	4.5
308.06873	1.7
308.10373	7.8
309.07684	100.0
310.08023	10.4
310.11530	0.8
323.05350	0.8
323.09244	26.1
324.09991	72.8
325.10266	6.8
330.43964	0.5
339.12341	64.7
340.09085	0.7
340.12720	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	339.1446
Annotation	15-Deacetylneosolaniol
Peak:m/z	Relative Intensity
53.54399	0.4
53.70323	0.5
57.03322	2.1
59.01251	100.0
60.01584	1.3
68.16953	0.5
71.50616	1.0
72.99175	1.7
75.00759	0.8
77.83984	0.5
83.04886	1.3
85.02813	0.8
97.04859	0.5
97.06560	0.6
99.04395	0.5
101.02331	0.5
107.04928	2.0
109.06480	0.6
111.04415	0.7
114.72530	0.5
123.04438	0.8
125.05984	0.8
125.09604	0.5
126.55936	0.4
135.04408	3.4
147.08008	0.4
161.09702	0.6
179.10741	0.5
191.05630	0.5
237.05582	0.8
238.05930	1.5
243.09007	0.7
249.11343	1.6
251.06982	0.5
252.07443	0.6
253.08337	0.6
281.04630	0.8
297.13339	1.5
309.09708	1.4
324.12109	2.7
325.12473	0.6
339.14294	5.1
339.25406	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	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01251	100.0
60.01596	1.4
69.77058	4.9
71.01250	4.5
73.02819	1.3
80.84379	0.7
83.01234	0.8
85.02821	6.8
86.03172	1.7
87.00748	2.7
87.03266	1.2
89.02335	1.1
93.03345	4.6
94.03664	1.1
101.02326	3.3
109.02854	1.4
111.04371	1.0
113.02290	1.0
119.04914	2.8
127.03868	1.1
135.04443	3.8
143.65984	0.7
149.04463	2.0
161.04427	2.7
163.03877	2.1
164.04315	1.0
165.04393	0.8
173.04405	1.7
175.04980	1.4
179.03445	1.0
191.03816	1.2
191.05547	28.5
192.05885	25.2
193.06004	48.5
194.06374	1.2
204.17033	0.8
206.04564	1.5
207.02902	1.0
207.04736	1.4
224.04739	1.3
267.06430	1.0
279.14581	3.4
310.10861	1.3
325.13116	1.8
328.50101	0.8
335.67761	0.8
339.09705	2.5
340.15506	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01254	3.0
65.00207	0.6
65.03847	0.7
67.01779	0.9
69.73023	2.1
71.01270	1.0
73.02816	0.5
77.97494	0.5
85.02867	0.7
91.01770	50.0
92.02117	1.4
93.03325	0.5
96.20006	0.4
101.02320	0.6
107.04931	0.4
108.02063	1.6
108.52301	0.4
109.02836	13.8
110.03181	0.5
112.46106	0.4
115.00264	0.6
121.02859	1.4
123.04408	0.7
128.23505	0.4
133.01337	0.9
133.02864	1.2
135.00775	100.0
135.11684	0.8
136.01163	2.9
137.02367	3.5
149.02367	1.1
153.01840	62.3
154.02165	2.3
161.02345	1.8
175.03915	0.5
177.01855	1.5
179.10631	2.5
189.01863	1.1
215.03403	0.8
223.09708	0.7
225.00587	0.3
279.05029	0.6
295.04834	0.7
297.06155	0.9
305.01764	0.4
310.07187	1.6
323.05573	0.5
339.07159	25.3
340.07431	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61322	0.5
56.49023	0.5
59.01273	2.0
71.01294	1.7
71.50258	0.7
87.50156	0.6
93.03342	0.6
96.95920	0.6
101.02357	0.6
113.02356	0.7
115.00295	0.7
117.03401	1.0
133.01373	0.7
135.04404	0.7
145.02873	4.2
146.03751	0.7
163.03986	1.3
178.77745	0.6
179.07127	1.3
179.10732	2.1
182.03612	0.6
185.02454	0.8
189.07079	0.7
191.05411	0.6
191.08577	1.3
195.08063	1.0
206.07343	1.0
207.08214	3.3
207.10092	1.0
217.06566	1.5
218.07387	1.5
219.08142	2.5
221.06087	2.9
222.76869	0.6
223.07631	1.2
224.04704	1.0
224.08244	0.7
225.05638	0.9
225.09178	1.2
233.06123	1.8
234.06870	2.1
235.07599	6.4
237.09122	2.9
238.06352	1.2
239.07176	2.0
245.06097	2.5
246.06847	1.6
246.29211	0.6
247.07645	2.3
248.04741	0.8
249.05377	0.6
251.07143	1.5
252.07677	0.9
253.08698	5.6
262.06335	2.3
263.07123	19.3
264.07822	2.6
265.08691	1.6
267.10193	1.2
268.11008	1.9
273.05548	0.8
274.06348	0.8
275.07098	1.8
276.07932	1.2
279.06680	0.6
280.07425	2.0
281.08212	31.9
282.08435	2.5
288.97076	0.6
290.05951	0.7
291.06671	8.1
292.07373	2.9
293.08167	9.4
294.08844	3.9
295.09689	2.8
296.10364	5.5
307.09781	3.9
308.06946	1.3
308.10452	7.7
308.16370	0.6
309.07700	100.0
310.07986	9.9
323.05414	1.0
323.09238	26.3
324.10010	67.0
325.10321	6.8
339.12360	60.1
339.16800	0.9
340.09027	1.0
340.12708	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	337.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01313	3.5
63.20581	0.8
69.38097	6.3
69.98775	0.8
71.01327	0.8
73.02876	0.9
93.03395	1.1
95.01308	0.8
96.47041	0.7
96.95964	1.2
98.71545	0.7
101.02383	0.9
119.05009	2.7
145.02893	1.4
157.02864	0.8
162.03169	1.5
163.02786	1.2
163.03888	5.0
168.74921	0.8
173.04536	1.4
177.05435	4.3
191.05626	1.9
195.08183	2.6
205.06538	1.3
206.07390	2.6
207.08076	4.8
208.05251	0.8
209.06113	2.2
217.06619	1.5
221.06047	0.8
222.06912	1.3
223.07616	5.7
233.06119	2.6
234.06903	4.4
235.04044	2.9
235.07605	12.7
236.08223	0.9
237.05569	2.3
249.05673	0.9
250.06339	2.2
251.07135	11.5
252.07510	1.3
256.71826	0.8
259.60379	0.7
261.05643	1.9
262.06375	1.6
263.07144	6.7
264.04248	0.8
264.07724	1.6
266.09497	5.1
278.05774	3.7
279.06607	83.8
280.07004	8.8
290.05801	3.0
291.06607	34.6
292.07242	11.5
293.08160	4.1
294.08917	7.9
294.11353	0.7
305.08173	4.7
306.06003	0.9
306.08954	26.2
307.06125	100.0
307.09509	6.7
307.46759	0.7
308.06577	9.3
321.07669	14.2
322.08435	59.8
323.08838	5.1
337.10785	57.8
338.11075	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.08591	0.8
61.55698	0.8
70.09960	1.4
70.10352	2.0
70.23120	0.7
82.62735	0.8
83.62997	0.8
93.03333	2.3
98.19843	0.8
119.04899	1.2
163.03932	0.9
173.04434	2.7
191.05482	5.4
217.56502	0.8
235.11830	3.4
299.30505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01250	1.3
60.99184	0.3
65.57462	0.2
67.01751	0.6
69.43414	1.3
69.43815	0.3
71.01259	0.7
73.02834	0.3
80.22829	0.2
82.68055	0.2
83.04890	0.3
85.02824	4.8
87.00761	1.9
92.87304	0.2
93.03334	5.1
99.04382	0.3
102.94200	0.2
105.86507	0.2
109.02818	0.7
111.00720	0.2
111.04390	0.9
113.02312	0.2
119.04926	2.1
127.03937	1.1
145.02852	0.8
149.04445	0.3
155.03426	0.4
163.03926	2.8
171.02963	0.3
173.04474	3.0
175.62866	0.2
186.22150	0.2
191.05545	100.0
192.05891	4.0
198.26433	0.2
230.89592	0.2
337.09338	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	337.0928
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.45396	0.3
57.28412	0.2
59.01240	0.9
67.01753	0.9
69.03327	0.3
70.00185	1.3
71.01248	0.6
73.02816	0.3
82.61661	0.3
83.04919	0.3
85.02822	6.1
87.00743	1.9
93.03332	5.3
109.02843	0.5
111.04395	1.6
119.04907	1.7
125.15905	0.3
127.03928	1.7
145.02858	0.9
149.07248	0.2
163.03925	1.9
171.02933	0.4
173.04494	2.2
191.05537	100.0
192.05894	3.0
287.01080	0.3
337.09198	3.0
338.09631	0.5
345.61636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01249	3.1
67.01757	0.5
69.79723	0.5
71.01230	1.2
71.50521	0.6
71.50929	0.8
72.44798	0.5
73.02837	0.8
73.34113	0.5
79.32288	0.5
83.04886	1.0
85.02831	2.0
87.00748	0.8
93.03332	5.0
109.02862	0.5
111.04408	2.9
119.04914	57.1
120.05253	1.9
127.03924	0.6
137.02345	0.8
145.02791	0.6
155.03407	2.1
161.09631	0.6
163.03917	100.0
164.04237	5.7
168.04182	1.9
173.04472	6.5
191.05539	18.4
314.64691	0.5
337.09274	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03310	0.7
59.01249	3.1
67.01757	0.5
69.79723	0.5
71.01230	1.2
71.50521	0.6
71.50929	0.8
72.44798	0.5
73.02837	0.8
73.34113	0.5
79.32288	0.5
83.04886	1.0
85.02831	2.0
87.00748	0.8
93.03332	5.0
109.02862	0.5
111.04408	2.9
119.04914	57.1
120.05253	1.9
127.03924	0.6
137.02345	0.8
145.02791	0.6
155.03407	2.1
161.09631	0.6
163.03917	100.0
164.04237	5.7
168.04182	1.9
173.04472	6.5
191.05539	18.4
314.64691	0.5
337.09274	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	334.0721
Annotation	Oxocrebanine
Peak:m/z	Relative Intensity
53.10973	0.4
53.89312	0.4
55.94176	0.4
59.01237	0.6
70.52663	1.0
70.53030	1.0
71.01243	0.4
107.01806	0.5
120.54623	0.4
125.19340	0.4
127.70697	0.4
133.02769	0.7
164.83244	0.4
179.03372	0.5
220.03943	2.6
232.04016	5.7
233.04358	0.7
246.05544	1.1
248.03499	35.3
249.03839	3.1
262.05121	4.9
263.05402	0.6
274.05023	1.1
276.03006	38.5
277.03268	2.4
288.03122	2.5
290.01645	0.8
290.04590	9.4
291.05212	2.6
303.01721	21.6
304.02481	93.8
305.02832	8.4
306.07755	0.8
318.04050	22.0
319.04767	12.1
320.05084	0.6
334.07193	100.0
335.03845	0.8
335.07541	8.8
348.73206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90812	0.7
59.01252	4.4
69.03332	0.6
70.62653	1.3
71.01244	2.0
73.02818	0.9
76.08941	0.6
80.04932	5.1
85.02803	0.7
90.05465	0.6
92.04953	1.0
93.03375	0.8
94.02818	0.8
94.06499	12.7
97.01569	0.9
97.02774	0.7
101.02334	0.7
102.73991	0.6
104.51556	0.6
108.04437	12.5
109.47175	0.6
110.05993	1.9
120.04453	10.6
122.02370	6.5
122.06043	3.8
124.03948	1.5
124.07594	5.1
125.05926	0.8
133.85126	0.7
135.04388	1.6
136.03941	2.9
136.07561	0.7
138.05501	7.4
141.09131	1.2
143.07033	2.4
148.03969	6.8
150.05510	8.1
152.03468	1.2
152.07135	2.1
154.05038	1.7
161.02361	2.7
161.04529	0.6
166.05013	94.5
167.05367	3.6
179.03345	1.1
182.04504	2.2
194.04584	6.6
203.09174	3.0
203.12851	6.5
210.04025	100.0
211.04355	4.0
215.11844	6.5
225.10408	1.2
227.11848	1.0
254.08015	0.9
255.11394	0.7
273.12454	2.3
291.13031	0.6
317.11353	7.0
335.12527	26.7
335.17053	2.8
336.12927	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36880	0.6
54.90582	0.6
55.08908	0.6
57.03335	0.6
59.01249	20.3
60.99178	1.6
63.01633	0.5
69.03333	1.2
69.79587	3.0
71.01244	0.8
73.02811	0.8
89.02324	0.8
95.04906	2.6
97.06469	22.0
99.08028	6.7
123.08022	2.7
125.05981	9.5
125.62236	0.5
136.93185	0.6
141.09114	51.9
142.09456	2.1
143.07039	88.3
144.07358	2.6
144.75543	0.6
145.69156	0.6
149.04446	2.2
153.84784	0.6
185.08115	15.8
186.08476	0.8
203.09181	100.0
204.09514	4.5
335.13440	15.8
336.13821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59925	0.6
59.00965	0.8
59.01250	13.3
64.44981	0.6
69.03368	0.6
70.35811	2.3
70.71081	0.7
71.01244	0.9
73.61384	0.6
87.04399	0.7
89.02306	1.1
95.04873	0.7
97.06466	11.5
99.08035	3.8
123.08038	2.6
125.05970	5.2
135.04427	0.9
141.09116	65.9
142.09406	2.9
143.07040	100.0
144.07414	4.3
149.04460	4.1
181.23546	0.7
185.08112	15.6
185.09688	1.2
186.08560	0.6
203.09184	68.3
204.09534	3.0
300.54086	0.6
313.00140	0.6
335.13495	11.6
336.13718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56489	0.2
59.01232	0.6
69.48817	0.5
69.49216	1.8
73.02825	0.5
78.03355	0.9
80.04915	0.3
85.02813	0.4
92.04946	2.0
94.06506	3.8
99.00755	0.3
101.02300	0.5
104.04929	2.5
105.03350	2.1
106.02856	0.3
106.06508	10.7
107.03638	0.9
107.06841	0.3
108.04423	1.2
110.05910	0.4
120.04425	4.2
121.05264	1.4
122.02360	0.9
122.06002	13.0
123.03158	2.0
124.07563	0.9
129.87024	0.3
131.03658	0.8
132.04440	6.7
135.03177	0.5
138.05504	19.2
138.88849	0.3
139.05864	0.5
140.07048	0.3
148.03938	0.8
150.05499	2.6
152.07022	0.4
159.06802	0.3
161.04463	0.4
166.04987	0.6
173.08414	0.3
174.12782	0.9
184.11215	0.3
188.07114	0.5
189.07878	1.1
198.07819	0.4
201.11284	0.7
202.08813	0.3
202.12219	0.5
213.06616	0.9
215.11836	1.2
217.07440	1.6
225.10240	0.3
227.11751	0.5
228.08931	0.5
229.09688	0.5
231.09077	0.5
231.11401	0.8
233.69844	0.3
241.09808	2.4
242.10701	0.4
243.11377	1.3
249.20685	0.3
259.10825	0.7
271.10904	0.7
289.11929	100.0
290.12234	9.0
333.10919	7.5
333.19061	0.7
334.11066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.8
59.01253	49.5
60.01573	0.9
68.11956	0.8
69.18114	2.7
69.18534	5.7
71.01248	2.7
73.02832	1.0
73.90826	0.7
78.95507	0.7
81.06422	0.7
83.04920	1.5
89.02346	1.2
91.03910	1.8
101.02311	1.7
108.66161	0.7
111.00731	0.8
111.08083	1.1
125.09647	1.1
132.12517	0.7
135.08134	0.8
137.09627	10.8
153.09116	1.8
155.10689	100.0
156.10988	3.6
164.07048	1.0
171.10182	32.2
172.10518	1.6
181.08621	4.3
185.11725	2.1
199.09688	23.5
200.10056	1.2
201.11447	0.8
214.95586	0.8
217.10768	41.1
218.11150	2.7
241.10846	1.1
259.11975	1.6
273.13452	25.3
274.13776	1.1
282.60303	0.9
289.11960	2.2
291.14508	95.2
292.14856	7.7
333.11169	1.6
333.15524	33.7
334.15808	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	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.0
61.19364	0.4
62.88755	0.4
64.01791	0.6
71.49473	0.7
73.02815	0.7
78.03363	1.0
80.04931	1.1
83.18760	0.4
89.02324	0.7
92.04935	2.6
94.06499	5.3
104.04942	3.8
105.03345	2.8
106.05780	0.8
106.06507	15.9
107.03635	0.8
108.04430	2.2
110.05965	0.7
111.08067	0.6
118.67928	0.5
120.04431	7.1
121.05216	1.8
122.02362	0.7
122.06019	16.8
123.03123	2.3
123.04410	0.6
124.07568	0.5
131.03653	1.1
132.04451	9.2
136.03922	0.8
138.05505	23.8
139.05898	0.6
140.07059	0.9
148.03941	0.8
150.05490	2.5
164.03381	0.7
166.05052	1.5
173.08174	1.0
174.12799	1.2
188.07086	0.7
188.10812	0.5
189.07864	1.7
201.11311	0.6
202.08731	0.7
203.09464	0.6
213.06613	1.2
215.11870	1.5
217.07356	2.0
226.07504	0.7
228.08963	1.0
229.09801	0.9
231.08954	0.9
241.09770	2.7
243.11386	2.4
253.32332	0.6
271.10886	1.5
289.11942	100.0
290.12299	7.8
333.10965	8.1
333.15063	1.0
334.11209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51065	41.5
52.41224	43.3
55.19626	43.2
67.86375	42.4
70.85077	37.5
71.01249	65.3
71.48724	50.0
74.90696	48.1
96.08303	43.3
100.42822	45.8
119.86649	44.9
127.25483	48.4
225.01448	54.9
235.16071	43.3
235.39647	42.5
297.11670	75.1
304.62848	52.0
333.09451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.1
64.72363	2.2
71.01255	18.5
71.48446	4.1
71.48846	3.2
77.17075	2.1
78.95776	38.6
81.03305	3.3
83.04874	3.9
85.02814	7.0
87.00733	2.7
89.02320	16.7
90.02724	2.5
96.96841	4.2
99.00774	4.0
101.02338	10.1
103.35416	2.4
109.02838	5.4
109.86277	2.1
111.00752	5.5
113.02336	7.5
115.00246	4.2
115.02020	2.4
119.03423	5.7
131.67418	2.2
135.06508	4.2
147.23599	2.3
152.99481	29.9
161.04469	3.9
164.26492	2.5
171.00549	2.6
179.05507	7.3
201.05685	4.8
217.05255	6.5
223.00000	2.4
241.01122	17.7
297.11917	56.1
298.12311	4.3
316.64462	2.5
333.05951	37.7
333.09677	100.0
334.10428	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0618
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
56.13243	0.6
59.01250	3.6
62.51041	0.7
63.02269	3.6
64.91550	0.6
65.00188	4.2
69.15302	3.6
69.15726	4.6
71.01251	2.4
72.05328	0.8
73.02824	1.3
82.18366	0.6
83.01250	3.1
85.02807	1.2
88.11804	0.7
93.03336	1.6
95.01263	1.5
98.20567	2.0
101.02319	1.6
107.01273	8.7
109.02843	1.1
112.93007	0.7
117.03347	3.0
118.03598	0.7
119.03397	0.7
123.04398	1.4
124.01573	0.7
131.60013	0.8
132.02077	1.3
135.00774	1.1
139.11168	2.8
143.04865	0.9
145.02847	1.1
151.00278	27.2
152.01042	7.6
159.04390	2.9
161.04471	0.9
163.00233	2.1
167.03387	1.8
169.01346	2.3
171.04419	1.2
173.11746	3.7
178.99806	8.3
182.03627	1.0
183.04416	6.6
187.89900	0.8
194.34479	0.8
195.02821	1.4
201.11353	5.3
211.03966	3.5
215.03563	1.0
227.03473	15.2
228.04039	1.1
229.05130	0.8
239.03461	2.5
240.04263	2.7
241.04919	1.2
255.02977	70.9
256.03629	13.9
257.04416	3.1
257.13062	0.8
283.02475	37.4
284.03250	52.8
285.03952	15.9
289.11752	0.9
315.05099	100.0
316.05408	8.0
333.02353	1.4
333.06082	10.9
333.15475	0.8
333.19229	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.7
59.01233	2.7
61.76729	0.5
61.98687	0.5
65.00195	0.8
69.35835	4.9
71.01250	1.8
71.04882	1.6
71.73614	0.6
73.02816	2.4
85.02805	0.8
87.00718	0.9
89.02334	0.6
99.67319	0.6
101.02316	1.6
107.01263	0.7
109.02805	3.2
131.03404	1.1
133.02867	0.6
136.01534	0.5
137.02251	0.6
137.09659	0.7
139.11206	3.3
140.11665	0.6
151.00281	2.3
153.01921	0.8
153.12787	1.1
154.38548	0.6
155.10686	1.9
161.04514	0.7
165.01843	1.0
165.07330	1.0
178.99812	2.0
183.08438	1.3
195.97336	0.5
198.02747	0.6
199.13327	100.0
200.13667	6.4
201.09523	1.9
206.99257	0.6
271.02475	5.3
299.01950	7.1
300.02579	2.6
316.12265	0.6
331.04477	0.6
331.11752	0.6
331.17581	2.5
331.24780	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	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38679	1.2
55.01757	25.4
55.20293	1.1
57.03312	1.6
59.01250	10.4
63.02269	6.6
65.00191	9.3
69.03316	2.2
71.01260	11.8
71.49931	1.9
71.63185	1.4
73.02818	6.6
75.00751	6.5
83.01272	5.8
83.04918	1.6
84.06882	1.1
85.02834	4.9
87.00739	2.8
89.02328	7.2
93.03335	3.5
96.95879	10.5
99.42825	1.2
101.02325	12.9
106.40109	1.2
107.01274	15.1
107.17664	1.4
108.02043	2.2
109.02853	4.5
111.00708	1.4
112.67426	1.3
119.03411	2.2
121.00349	1.4
121.10124	11.3
123.04440	2.2
129.01831	41.8
131.03439	1.9
133.02867	8.9
134.03708	1.4
135.04404	9.5
136.01573	7.2
136.04604	1.4
139.11180	12.5
143.04910	1.7
147.00793	4.7
147.01787	2.4
147.02899	40.0
147.04106	2.2
148.01535	1.6
151.00276	48.0
152.00946	5.0
153.01849	1.4
155.10666	9.8
156.03163	2.5
159.04369	1.5
161.02382	2.8
161.04422	6.6
167.03444	2.5
169.01346	3.9
173.04488	2.3
174.30307	1.3
175.03986	1.5
176.03967	4.6
177.01810	2.2
178.02682	2.7
178.99785	27.7
179.03403	5.8
183.04494	2.5
183.10194	100.0
184.10530	7.6
187.03955	2.5
191.05507	3.8
199.03955	7.5
199.09697	11.9
201.01912	1.7
203.03413	1.8
215.03453	2.3
226.02661	1.8
227.03453	6.4
231.02919	2.0
243.03001	9.0
255.02934	3.7
256.03531	2.1
270.05060	1.4
271.02487	66.1
272.03113	11.2
273.03897	1.6
287.05774	2.2
299.01968	36.7
300.02737	50.7
300.06158	2.7
301.03430	14.1
331.04636	13.9
331.13745	13.8
331.17752	2.2
332.05200	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	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75614	0.4
57.03328	0.8
59.01247	5.0
60.74840	0.4
65.00198	0.4
69.59861	3.0
69.78648	0.4
71.01250	5.7
73.02821	4.9
83.01260	0.9
85.02831	2.1
89.02328	2.3
90.56548	0.5
98.72755	0.3
99.00773	0.9
99.04381	0.4
101.02309	4.2
109.02832	0.5
113.02341	1.7
117.72851	0.4
119.03406	1.1
125.18688	0.4
131.03378	0.7
135.08069	1.4
137.09616	7.9
151.00285	0.6
153.01840	0.4
155.10684	100.0
156.11043	4.2
159.02769	0.4
161.04485	3.3
163.05695	0.4
178.99733	0.5
179.03419	0.4
199.09700	71.2
200.10075	2.8
238.80623	0.4
269.13013	0.6
271.02411	0.7
287.13129	0.8
299.02063	0.5
300.02563	0.7
331.04663	0.6
331.13885	5.7
331.17722	3.5
332.08084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20705	0.3
55.01754	0.3
57.03330	0.4
59.01252	4.4
63.02258	0.5
63.76162	0.3
65.00198	5.2
71.01265	3.5
71.49973	0.6
73.02820	3.6
81.03332	0.5
82.71978	0.3
83.01273	1.0
83.04909	0.4
84.35764	0.3
85.02830	1.0
87.00731	0.6
88.66402	0.3
89.00210	1.1
89.02311	1.2
91.01751	2.0
93.03338	0.7
95.01266	1.0
96.95907	0.4
97.02835	3.8
97.06470	0.4
99.00757	0.4
101.02316	2.7
107.01273	0.4
108.02061	3.4
109.02841	100.0
110.03168	3.1
111.08034	0.8
113.02332	1.4
119.03407	0.7
121.02863	1.7
124.01559	5.4
131.03421	0.6
133.02884	0.3
133.71185	0.3
133.99962	0.3
135.04427	0.6
135.08090	0.6
136.01596	0.6
136.28795	0.3
137.02322	0.7
137.09628	5.3
138.03166	1.1
138.18491	0.3
139.00285	0.5
139.03912	3.2
149.02315	0.4
149.99486	1.9
150.75565	0.3
151.00267	3.3
151.03926	0.6
152.01076	2.6
153.01848	59.1
154.02170	1.8
155.10690	77.6
156.10994	2.4
161.04482	1.0
163.00244	1.0
165.01854	33.3
166.02620	4.3
167.03423	11.4
168.03716	0.5
169.01317	0.6
173.08109	1.0
178.99796	10.5
179.01328	0.7
179.03354	0.8
180.00160	0.5
183.02959	0.6
190.99844	1.0
193.01372	8.6
194.01796	0.4
195.02951	1.5
199.09703	44.3
200.10033	2.3
206.99329	2.8
221.00876	17.2
222.01634	12.1
223.02153	1.1
226.02740	0.8
227.03491	0.7
242.02165	0.6
243.02798	0.5
254.02258	0.6
255.02785	0.5
262.51328	0.4
269.04565	0.6
270.01575	0.5
271.02420	2.0
272.03220	0.6
274.92307	0.4
285.04224	0.8
285.07602	0.7
287.05649	0.6
293.28894	0.3
298.01196	0.6
299.02014	1.2
300.02750	1.4
300.10220	0.4
301.03165	0.4
313.03571	2.2
331.04590	3.4
331.14130	4.4
331.17676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01250	6.3
69.03331	0.7
69.29610	3.7
69.30038	1.7
71.01249	2.6
71.04893	56.4
72.05214	1.0
73.02810	2.1
83.04906	3.2
89.02317	1.6
93.03348	0.9
98.19758	0.6
101.02359	1.7
119.03397	1.3
121.02859	4.9
123.04401	1.5
125.09602	3.4
131.03372	1.5
135.04437	0.7
137.09615	0.8
138.51651	0.7
147.04416	0.8
149.02338	4.5
150.03087	1.6
153.12759	35.9
154.13097	1.2
158.03780	0.6
159.04410	1.3
160.05215	2.3
161.05971	1.0
167.03406	1.3
175.07544	1.6
197.11765	100.0
198.12067	5.3
269.08185	3.2
282.70847	0.6
299.09152	2.8
314.11530	3.5
329.03009	0.7
329.08954	0.7
329.10275	1.0
329.13669	6.0
329.23209	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	329.2334
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03329	1.4
59.01255	1.6
69.03349	0.9
69.25845	7.0
83.04892	0.9
85.02817	0.9
93.32805	0.6
96.84843	0.7
98.19782	1.2
99.08030	7.3
125.09626	1.5
127.11166	4.1
137.09607	0.6
139.11188	6.6
149.02359	0.8
155.14363	1.0
156.02815	0.7
160.03319	0.7
167.14267	1.0
171.10191	14.6
183.13881	6.0
193.12289	2.4
209.11806	1.6
211.13342	27.5
212.13675	1.5
229.14426	17.0
230.14746	1.0
293.21271	0.8
311.22342	1.1
329.23325	100.0
330.23734	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	331.0458
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
59.01250	1.6
63.02272	10.0
65.00189	15.2
71.01261	1.4
76.68097	0.9
78.24651	0.7
83.01258	9.6
85.02838	1.3
91.01751	1.2
95.01295	1.0
98.20516	1.7
101.02303	1.4
107.01271	23.9
107.01974	1.4
108.02066	1.0
109.02844	4.2
110.73829	0.6
111.00765	2.5
119.01285	3.4
121.02873	2.3
123.00790	1.4
123.04404	2.6
124.01539	1.9
125.02354	3.0
133.02834	5.0
135.00800	1.3
135.04364	0.9
136.01564	12.0
139.00191	0.7
143.04968	2.1
147.00781	7.8
147.04416	0.9
148.01588	4.7
149.02277	0.7
151.00275	75.5
152.01089	6.0
153.01880	0.9
155.04869	0.8
157.02855	1.5
159.04434	1.2
161.02394	1.8
161.04431	0.9
163.00285	2.3
163.03915	0.9
164.01050	1.6
165.01883	0.8
167.03401	3.9
169.01353	3.9
171.04442	3.2
173.02356	0.9
174.03165	0.9
175.03952	2.8
178.99780	44.2
179.03259	4.3
180.00148	2.0
182.03609	1.4
183.04422	2.9
185.02332	1.4
187.00336	2.4
187.03976	2.7
189.01886	0.9
190.99741	0.8
193.01332	0.8
195.02928	2.4
197.02397	1.2
198.03154	1.8
199.03918	13.6
201.01901	5.3
203.03525	1.6
207.02934	1.2
211.03983	2.8
213.01845	2.0
215.03430	2.9
219.02882	1.0
222.01656	1.2
226.02679	2.6
227.03429	9.8
228.03906	1.1
231.02950	3.1
239.03319	1.5
243.02945	16.9
244.03050	1.0
255.02965	7.8
256.03772	2.8
257.04480	1.4
271.02475	100.0
272.03043	17.4
273.03854	1.7
287.05527	2.3
299.01965	61.4
300.02716	81.7
301.03445	20.5
302.04004	1.4
303.04987	1.2
331.00537	1.5
331.04559	30.8
332.04922	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57781	0.8
59.01257	9.7
61.26734	1.0
69.46279	6.5
70.07793	1.0
70.29923	0.8
71.01261	1.4
71.04873	1.7
73.11945	0.9
73.82521	0.8
91.61530	0.9
93.03331	2.4
109.02815	1.5
117.78337	0.9
121.02837	24.2
121.63776	0.8
123.04389	1.3
134.40077	0.9
135.04425	3.7
147.04411	8.5
149.02350	3.5
150.03194	1.1
159.04420	4.7
160.05193	2.8
161.06010	1.7
175.07524	2.8
177.05586	1.4
184.52264	0.9
188.04483	1.2
197.11746	2.0
204.61018	1.0
207.13760	1.6
210.06660	1.1
211.07545	1.1
211.13393	1.1
212.04683	4.4
223.07486	1.4
224.08243	1.0
225.05513	1.3
225.09082	1.1
225.14873	3.3
226.06335	1.7
227.10825	1.1
227.12892	3.3
240.04265	5.7
240.07684	1.3
241.08569	1.5
251.07101	1.9
253.05042	1.3
253.08611	3.1
254.05888	4.9
255.10139	1.7
263.07159	1.7
269.08188	66.2
269.13950	4.4
270.08456	6.6
271.09686	7.3
281.08197	10.6
283.09766	3.1
285.14688	1.0
286.04849	1.7
287.15082	3.7
298.08444	1.3
299.09238	51.6
300.09525	4.0
313.10611	1.3
314.11591	69.7
315.11884	7.6
327.49799	1.0
329.13889	100.0
330.14221	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1394
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.34525	0.4
54.88721	0.4
59.01257	1.1
69.72374	1.9
78.92654	0.3
88.94906	0.3
89.79357	0.4
91.05439	0.7
91.99763	0.4
93.03352	1.3
98.20608	0.4
103.05406	0.4
105.03380	0.5
105.63920	0.3
108.02045	0.8
109.02862	1.0
111.00777	0.9
115.05420	1.6
119.04906	0.6
121.02841	14.9
122.03673	4.3
123.00775	2.7
123.04425	1.5
124.01535	1.9
126.59038	0.3
127.54838	0.3
127.95591	0.3
129.03419	0.5
130.04149	0.8
131.04926	2.3
134.03638	0.7
135.04430	0.6
136.01630	0.8
136.05177	2.9
137.02345	3.0
137.05965	1.4
138.03136	0.9
143.04912	3.3
145.02905	1.8
145.06497	1.0
146.03673	0.9
147.00748	0.4
147.04420	12.1
148.01553	0.5
148.04852	0.4
149.02344	5.1
149.05988	0.9
150.03139	17.5
151.03894	1.6
153.05469	1.1
158.03645	14.3
159.04424	43.9
160.05206	100.0
161.05988	41.0
162.03111	0.7
162.06354	1.7
163.03912	15.3
164.04694	14.7
168.04202	1.0
173.05989	12.3
174.06633	1.3
175.07562	72.8
176.04713	2.1
176.07901	4.3
177.05486	17.8
178.06273	17.8
179.03394	0.5
179.06744	1.0
191.07112	0.5
192.07831	1.6
193.04953	0.5
193.08643	9.1
194.08954	0.8
197.11829	0.9
216.69662	0.4
234.29158	0.4
296.10495	0.4
299.12860	0.8
314.11569	2.9
329.13925	96.9
330.14255	10.9
349.57410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09317	0.9
59.01250	100.0
60.01591	1.0
63.25470	1.1
71.01255	4.9
71.49221	1.0
73.02827	2.0
84.37217	0.9
85.02821	2.7
89.02322	3.2
95.04910	6.9
100.43805	0.9
101.02331	7.2
113.02324	2.8
113.82605	0.8
119.03355	1.3
121.02861	4.5
123.00771	1.0
123.04402	2.4
125.02315	1.7
135.04466	2.3
139.03902	7.4
149.04495	1.0
153.05469	1.8
153.09167	1.5
161.04495	4.7
190.11382	0.9
197.04456	5.7
197.06465	1.3
197.08167	10.2
208.33617	0.9
226.61523	1.0
235.06668	1.1
269.10245	5.8
269.16040	1.0
300.63095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68542	0.8
57.03300	0.9
59.01256	5.9
62.21480	0.8
69.52502	1.9
69.52913	5.1
71.01261	1.4
71.04892	1.4
73.02791	0.8
74.65745	0.8
80.96386	1.3
93.06511	0.9
98.19806	1.1
105.42007	0.7
111.04395	1.3
115.96687	0.9
121.02855	1.4
131.03374	1.4
132.38469	1.0
138.82814	0.8
149.02380	2.2
149.04465	1.5
153.09129	100.0
153.72272	0.8
154.09427	4.2
170.39592	0.9
179.07050	0.8
183.10312	1.0
191.24866	0.9
197.08150	29.2
197.11877	0.9
198.08469	1.8
243.12347	2.5
244.12474	1.1
249.30334	0.9
249.41869	0.8
269.08212	1.0
278.65570	0.8
316.40585	0.8
329.12601	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20351	0.8
55.67544	0.6
57.03331	1.0
59.01249	30.0
60.21624	0.6
69.03316	0.9
69.47293	3.2
69.47709	2.3
71.01253	2.0
71.04893	18.2
72.90556	0.7
73.02811	2.5
83.04922	0.9
89.02318	2.9
97.02876	1.3
101.02317	0.9
103.11448	0.7
111.04374	1.5
116.35171	0.8
121.02855	1.7
125.09618	1.3
131.03423	1.6
135.04437	1.7
148.03923	0.9
149.02380	2.7
149.04456	12.5
153.09123	100.0
153.12729	14.2
154.09468	5.1
160.03912	1.2
161.04706	1.8
179.07089	0.8
183.10356	1.4
191.05528	1.2
197.08151	26.9
197.11769	35.8
198.08543	1.5
198.12128	2.3
206.07784	0.7
207.59282	0.8
219.89346	1.0
225.06712	0.9
243.12399	3.4
285.12396	2.6
329.11832	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	0.4
59.01248	8.4
69.03326	0.6
71.01242	1.9
71.04881	0.8
71.49906	0.7
72.99184	0.6
73.02815	1.2
80.96397	3.9
85.02827	0.8
87.00742	0.6
89.02323	0.5
93.03377	0.6
100.04969	0.4
101.02294	0.9
105.90357	0.5
107.08549	0.6
107.85314	0.5
111.04381	1.1
111.50912	0.4
113.02324	0.6
121.02844	1.3
131.03368	1.0
135.04378	0.5
135.08060	0.5
139.11189	0.9
145.47978	0.4
149.02347	3.3
149.04448	0.9
153.09116	100.0
154.09444	4.7
160.05168	0.7
161.05870	0.4
162.05525	0.5
164.04752	0.6
167.03416	0.5
175.07552	0.7
181.12303	0.7
183.10193	1.9
197.08121	31.9
197.11836	1.6
198.08434	1.5
212.04816	0.4
225.06741	0.8
225.11377	0.6
241.08615	0.8
243.12361	5.2
269.08157	1.5
271.02597	0.7
285.11612	0.5
314.11505	1.0
329.06674	0.5
329.10165	0.5
329.13138	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	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
68.66325	0.8
69.34158	5.9
69.34570	1.6
69.60751	0.7
71.01256	11.5
72.99167	1.4
73.02817	1.9
83.01290	0.9
85.02813	2.6
86.89983	0.7
87.00748	0.8
88.13505	0.8
89.02318	6.0
93.03321	2.5
101.02317	9.3
107.04910	0.9
111.04380	0.9
113.02319	2.7
119.03385	6.2
121.02853	5.8
123.04456	2.2
134.03619	2.2
135.04405	3.3
149.02315	1.4
149.04448	1.6
149.05946	1.8
153.05473	4.1
154.10083	1.0
161.04477	2.6
167.03415	2.3
173.04472	1.3
177.62520	0.8
197.04504	11.9
197.08168	1.2
200.51268	0.9
269.10379	2.7
329.12408	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03323	2.9
59.01258	0.7
69.03322	2.6
70.37441	1.6
71.01288	0.8
83.04879	1.3
84.02013	0.8
85.02824	9.2
95.04876	0.9
97.02843	1.5
97.06472	5.2
99.70576	0.7
125.09608	1.9
127.11181	2.0
137.09619	1.8
158.83141	0.7
165.12776	0.8
167.10774	0.7
167.14330	1.2
171.10175	19.6
171.11652	1.0
172.10544	1.1
177.12683	1.0
183.13828	5.7
185.11743	1.2
193.12228	2.0
199.13190	0.7
209.11833	2.0
211.13353	24.2
212.13699	1.3
221.11813	4.1
229.14420	15.3
230.14786	1.2
239.12854	2.8
263.06638	0.7
282.97809	0.6
291.19656	3.2
292.20126	0.7
300.63470	0.6
309.20731	1.1
327.21765	100.0
328.22079	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	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.15649	6.3
52.45480	5.8
59.01254	26.2
71.01269	8.9
71.04864	14.9
79.85201	6.7
81.19028	6.1
83.04908	11.9
85.29867	6.6
97.43344	7.4
158.08546	7.6
164.10187	6.2
235.20621	14.4
237.32466	7.6
253.21666	100.0
254.22035	9.2
273.51407	7.9
319.60507	6.9
327.18307	20.4
327.21902	13.8
327.28854	10.0
336.84283	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	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20577	0.3
55.55663	0.3
55.55986	0.3
58.23883	0.4
59.01245	2.7
60.84546	0.4
62.71897	0.3
65.00191	0.5
69.99892	1.1
70.00292	0.7
71.01244	1.0
73.02814	0.4
78.02519	0.3
80.74249	0.3
83.01236	0.7
89.00208	2.4
89.02320	1.4
91.01764	1.2
95.01263	0.4
101.02325	1.1
106.00494	2.4
111.00771	0.6
112.98691	0.4
118.61100	0.4
119.03394	0.9
121.02843	43.8
122.03168	1.1
123.00789	1.5
123.04388	0.6
127.00256	1.0
131.03418	0.9
136.98688	0.8
138.03117	1.8
139.00240	1.4
145.20694	0.3
149.04453	1.1
149.05908	0.4
153.05473	28.4
154.02646	0.7
154.05789	0.6
165.01854	0.5
181.05032	0.4
182.02147	1.1
197.04486	100.0
198.04794	3.9
329.12640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1143
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
51.40647	0.8
56.24625	0.9
59.01246	1.2
69.32244	8.9
82.02857	8.6
82.81848	0.9
85.78343	1.0
86.23151	1.0
98.19769	1.7
106.06504	6.4
108.04433	1.4
110.02324	1.1
112.39989	0.9
121.02717	0.8
122.05978	2.5
132.04457	26.6
133.05121	1.6
134.06009	33.6
135.06339	1.6
136.03911	3.5
148.03946	1.7
149.01260	1.1
149.02336	14.9
149.04646	2.1
153.09106	2.2
160.03934	17.5
161.04733	30.3
162.05516	76.2
163.05786	1.2
164.04665	1.6
164.06895	1.0
167.07034	1.0
171.06779	0.9
176.03409	3.6
187.39149	0.9
193.03735	44.7
194.04007	1.3
197.08067	1.4
212.07022	4.1
213.07919	1.7
214.08603	5.3
226.08627	2.6
240.10118	1.6
241.06200	7.5
242.06842	1.1
242.11885	5.2
243.11452	3.0
254.07184	1.1
255.07697	1.2
257.09320	8.6
268.09695	2.6
269.09308	6.3
270.09842	0.9
285.12445	83.6
286.12680	8.1
311.10416	11.6
312.10413	1.1
314.11441	3.7
329.11319	100.0
329.57538	0.9
330.11639	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	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	1.3
59.00958	2.1
59.01250	28.1
59.54616	1.3
69.66112	8.3
71.01252	19.4
72.99172	2.8
85.02808	3.6
87.00716	2.1
89.02316	17.4
95.01231	1.4
98.20515	1.4
101.02334	12.7
105.03355	1.9
107.04898	2.2
109.50887	1.1
113.02337	7.2
119.03415	9.1
119.04900	5.1
119.98920	1.2
123.04416	17.1
131.03322	1.3
133.02837	9.5
135.04422	2.0
146.69336	1.2
147.04414	100.0
148.04758	3.9
149.04465	17.6
151.03877	6.3
161.04416	1.4
165.05495	14.8
169.49220	1.2
177.01817	5.6
179.03520	1.6
195.02916	11.3
199.19913	1.2
327.10834	48.4
328.11005	2.1
348.45953	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	327.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
62.52456	7.9
66.64449	8.6
69.80779	15.6
69.81188	37.8
71.01249	57.8
73.02791	8.6
85.02812	20.2
89.02316	59.0
95.21714	8.3
100.85692	9.9
101.02304	45.8
113.02318	22.8
119.03358	26.7
147.46729	8.6
161.04431	17.6
165.07556	29.7
179.05539	13.8
212.87624	9.4
251.95180	8.0
267.10721	26.2
327.12845	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95262	0.4
57.03332	0.3
59.01249	6.3
71.01258	1.0
71.49488	0.8
73.02805	1.2
74.96790	0.3
75.00751	0.5
83.46924	0.4
89.02318	1.3
93.03336	0.8
101.02317	0.5
108.02065	0.9
109.02835	0.7
119.04921	5.0
121.02850	8.8
123.04386	3.6
124.01566	1.4
125.02354	0.5
131.03403	0.8
133.02840	1.2
134.03642	1.1
135.04419	10.1
136.05200	36.6
137.02370	0.6
137.05547	1.3
140.01909	0.4
141.75858	0.3
143.73181	0.3
149.02365	1.3
149.04408	2.4
150.03133	0.8
151.03899	4.5
151.07509	1.8
161.02446	0.4
165.05528	0.5
175.03839	0.4
177.01819	0.8
177.05450	1.3
195.06555	100.0
196.06886	5.5
282.05301	0.5
312.10086	0.6
327.05167	0.6
327.11911	0.7
327.21927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48034	0.6
54.42027	0.7
59.01244	6.3
61.72211	0.8
69.15601	8.5
71.01259	1.8
72.99141	0.7
73.02821	1.4
83.05984	0.7
89.02311	2.5
89.03809	1.3
93.03323	1.6
105.03353	1.2
107.04922	1.1
108.02063	1.4
109.02864	1.8
109.41946	0.7
119.04923	4.5
121.02821	7.4
122.03685	1.0
123.04411	11.3
124.01567	0.9
131.03435	1.1
133.02853	4.5
134.03590	1.4
135.04428	8.7
136.05200	27.7
137.05417	1.0
149.02373	1.8
149.04443	9.0
150.03177	0.8
151.03923	10.5
151.07593	2.0
177.01825	2.1
179.03430	1.0
195.03004	4.3
195.06563	100.0
196.06894	4.5
296.01849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68151	1.8
52.37986	1.6
57.03326	2.7
59.01250	15.2
59.94911	1.9
68.51678	1.9
71.01256	6.1
71.49547	3.7
73.02786	2.6
73.79607	1.9
76.87691	2.0
85.02824	3.6
93.63837	2.0
94.08466	1.9
101.02323	6.4
108.52548	1.7
116.15884	1.7
119.04933	2.2
121.10172	3.6
123.08041	2.9
137.09543	2.0
139.11185	33.1
151.11165	4.8
153.09239	2.0
153.12674	2.1
163.06018	2.8
171.10181	37.1
177.12773	10.1
183.01094	15.9
183.10204	4.2
193.07086	8.6
197.02695	36.3
197.11806	2.0
198.03279	2.9
211.04272	3.1
223.04005	1.9
230.02484	3.4
275.20117	9.4
293.21170	15.2
307.22827	27.2
308.23068	1.9
325.07227	2.6
325.11179	4.5
325.18387	85.5
325.23822	100.0
326.18689	11.0
326.24124	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	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
58.00465	2.1
59.01251	35.9
63.91884	0.6
71.01254	21.5
71.16285	1.8
72.99201	4.4
73.02831	0.8
83.01266	1.7
85.02808	4.3
87.00742	1.6
89.02316	22.3
101.02322	12.2
108.47728	0.7
113.02333	7.8
119.03397	8.4
119.04873	4.2
123.04403	8.9
132.77002	0.6
133.02837	4.5
135.04417	1.5
147.04420	100.0
148.04781	4.3
149.04475	9.9
151.03897	2.3
151.24477	0.7
161.04582	0.9
165.03970	1.9
165.05452	16.5
177.01843	3.1
179.03386	0.7
179.05499	0.8
195.02901	4.1
214.17784	0.8
327.10840	56.2
328.11176	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01249	2.4
71.01241	0.5
82.38889	0.5
85.02843	0.6
89.37615	0.5
101.02282	0.5
105.40806	0.6
114.67480	0.4
119.04888	0.6
125.42192	0.5
130.07277	0.6
133.06482	0.5
149.09619	84.3
150.09950	3.3
163.11189	89.8
164.11525	5.3
183.01147	13.7
184.01836	1.6
193.07149	1.3
197.02689	0.9
216.00955	0.6
317.76019	0.5
325.18341	25.7
325.21753	100.0
326.18637	3.1
326.22098	10.5
344.23352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80277	6.4
54.87616	6.0
57.03319	8.3
59.00963	7.3
59.01248	100.0
69.03312	15.0
71.01241	25.9
73.02824	14.7
73.65164	6.2
81.05944	6.4
83.01247	19.4
83.04878	11.3
85.02819	19.8
89.02316	14.4
94.37423	7.1
95.01257	7.2
95.04911	8.7
97.02843	16.3
97.06477	15.2
99.00745	6.8
101.02317	39.9
113.02338	16.3
119.04901	9.0
123.04400	17.4
125.09608	39.3
137.09584	15.6
149.05971	11.8
163.06053	8.6
163.11153	14.9
165.12685	10.2
167.10666	16.6
185.11821	16.8
193.05432	8.0
193.07050	39.0
207.10204	16.8
209.11774	35.1
209.40224	7.0
307.19171	20.4
325.11276	29.3
325.18430	6.8
325.20227	6.7
325.27502	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03333	2.1
59.01250	21.9
70.63258	3.0
70.63619	2.2
71.01257	8.0
71.04901	2.3
73.02818	1.4
78.41441	1.2
81.03316	2.6
83.04896	4.6
84.02065	3.3
85.02808	2.4
89.02307	1.7
93.84804	1.4
95.04893	3.3
97.06470	4.4
99.04390	1.6
99.08028	3.1
101.02331	2.2
102.86800	1.3
109.06459	3.2
111.04375	1.6
111.72411	1.2
112.05158	1.7
115.07571	2.9
123.08024	1.5
125.09579	7.5
127.07547	15.4
135.08028	3.3
139.07570	3.7
153.09125	17.3
155.10670	5.7
163.11194	4.6
165.12698	1.9
171.10173	23.5
178.09891	2.4
185.11757	18.4
191.10583	1.6
191.14322	2.1
193.07164	4.1
193.12088	1.4
197.11746	16.9
198.42865	1.2
207.10301	1.6
209.11772	68.5
210.12050	2.7
211.13330	2.4
237.14912	2.6
238.12061	5.6
245.19099	4.3
256.12949	3.2
263.19980	1.3
289.18130	10.0
297.20654	1.4
305.92932	1.4
307.19138	100.0
308.19556	7.6
325.11383	3.1
325.20197	52.3
326.20621	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	325.1656
Annotation	Naematolin C
Peak:m/z	Relative Intensity
59.01250	100.0
60.01565	1.1
70.20204	1.9
75.37090	0.4
83.17758	0.4
101.02306	0.5
140.22923	0.5
306.34531	0.5
334.16159	0.4
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	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.49413	4.4
57.03320	6.9
58.02652	4.4
59.01253	54.7
59.17439	5.1
70.62279	12.1
71.01259	13.2
71.04895	8.4
73.02849	5.0
76.75089	3.8
77.84204	4.0
80.31647	4.1
83.04919	8.1
85.02810	6.7
91.98962	4.3
97.06512	4.4
101.02327	18.2
113.02325	5.3
119.04871	7.3
122.03605	5.8
125.09624	23.8
137.09633	6.4
163.05984	6.5
165.12694	9.0
167.14354	46.5
183.01013	8.8
193.07109	16.8
193.15907	26.4
204.85724	4.5
207.17509	31.6
209.11754	11.9
238.91801	4.4
249.18536	69.3
250.18810	7.6
275.16544	13.4
281.21231	54.4
282.21457	4.7
286.68298	4.5
293.17712	19.7
307.19153	100.0
308.19302	8.1
325.11240	6.7
325.20538	50.2
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
55.01736	1.7
57.03321	8.4
58.00451	1.6
59.01253	17.1
69.03322	2.3
70.63483	3.4
71.01252	4.8
71.04878	7.1
73.02848	1.4
80.02568	2.5
81.03326	1.7
82.34029	1.6
83.04906	4.6
85.02842	2.6
87.04385	2.9
95.04897	2.4
97.02815	4.4
97.06469	6.4
107.55646	1.5
109.06480	21.2
111.08030	10.6
123.08012	2.3
125.05963	3.1
125.09599	14.8
125.37777	1.5
127.07532	3.1
127.11178	5.4
130.48300	1.5
137.09607	3.8
141.09128	2.2
151.11201	4.0
153.09038	1.7
155.10692	2.5
167.10652	2.3
169.12283	6.5
171.10173	10.5
177.06760	1.7
181.12320	3.6
183.10104	1.7
193.07228	2.0
193.12253	1.9
195.10147	2.1
195.13582	1.6
197.11777	32.4
198.12090	1.5
199.09631	2.0
199.13243	2.3
201.09377	2.4
201.11267	48.5
211.13350	19.8
213.09293	2.0
213.11269	28.9
214.11691	2.1
227.12845	2.3
235.13358	4.6
237.14925	19.4
245.18990	3.5
289.18057	21.7
290.18341	1.7
307.19135	26.1
308.19318	2.3
310.10660	2.2
317.29816	1.7
324.35190	1.7
325.11481	3.4
325.20184	100.0
326.20538	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.78167	0.7
69.34736	0.6
71.25964	1.0
86.79844	0.7
97.21221	0.6
101.02306	0.8
116.37407	0.6
119.04914	100.0
120.05232	4.3
122.03670	0.7
157.09482	0.7
163.03918	63.7
164.04207	2.7
250.85800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94097	0.3
57.03316	0.3
59.01262	0.6
66.51384	0.3
67.43781	0.3
69.46622	2.2
71.01257	2.9
73.02805	0.9
85.02821	1.2
91.05413	1.5
99.00738	0.7
101.02342	1.6
101.03844	7.1
113.02341	1.5
117.03347	3.6
117.04121	0.5
119.04915	100.0
120.05254	4.2
134.03622	2.5
159.02876	0.4
161.04460	2.0
163.03909	4.6
164.57545	0.2
193.04991	2.5
274.07349	0.3
325.09259	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	325.1294
Annotation	Bidensyneoside A1
Peak:m/z	Relative Intensity
55.01759	1.8
57.03310	0.8
58.00470	2.7
59.01252	100.0
60.01593	0.9
69.03346	0.8
69.33053	6.3
71.01254	40.2
72.99190	2.6
73.02821	74.9
74.03157	1.2
75.00754	0.9
83.01257	13.8
84.89414	0.6
85.02847	2.4
87.00709	1.3
89.02320	18.4
95.01283	1.1
101.02326	49.5
113.02332	8.6
119.03394	13.5
125.02383	1.0
131.03412	3.7
134.03572	0.8
143.03435	2.5
149.04472	1.0
153.39099	0.6
155.03479	0.6
161.04451	3.9
179.05592	1.7
193.05038	1.1
300.78476	0.8
348.73093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
58.00463	2.9
59.01252	100.0
60.01575	2.0
65.05576	0.8
70.11771	2.5
70.12184	2.0
71.01254	43.8
72.99178	5.1
73.02821	14.9
75.00729	1.4
81.03350	1.2
83.01250	4.2
85.02823	8.4
85.75768	1.1
87.00740	3.1
89.02321	52.8
95.01255	2.3
97.02831	1.3
101.02325	47.4
113.02329	21.8
119.03392	48.2
119.04857	2.9
131.03366	3.9
133.02849	0.9
134.03636	7.1
135.04379	2.9
137.02322	2.5
138.58089	1.1
143.03432	4.4
149.02400	1.0
149.04442	3.8
149.05962	1.1
161.04485	5.6
163.03819	1.0
163.06093	1.1
165.01842	2.2
167.03491	1.3
179.03416	2.0
179.05537	9.7
183.29625	0.9
187.07573	1.6
189.01773	0.9
191.05518	1.0
193.04977	4.0
193.07045	3.2
193.08713	1.6
253.08603	0.9
263.12958	1.8
283.11871	6.1
293.04691	1.1
307.11490	0.9
310.04791	2.6
325.06866	4.4
325.12897	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03315	3.7
59.01251	40.5
69.03331	2.0
71.01263	11.5
71.04877	8.2
73.02829	2.6
81.03323	5.2
85.02827	6.9
87.00758	3.7
89.02325	10.7
89.02784	1.7
93.03339	2.3
97.06460	5.8
101.02322	6.4
107.04916	2.2
113.02332	10.5
119.03305	3.4
119.04885	5.4
119.08538	6.8
120.82235	2.0
120.90809	2.1
121.10141	16.3
123.08028	4.8
125.09611	9.2
130.75627	2.0
137.09621	20.7
141.12759	2.2
149.09630	7.6
161.04462	8.5
171.10167	23.2
185.11757	28.9
193.12292	2.1
197.11790	3.0
207.13950	1.8
209.11836	3.3
211.13423	2.2
215.01331	1.7
217.15828	2.9
225.14789	3.4
253.14494	2.4
273.18567	6.7
291.19650	100.0
292.20093	9.8
305.17941	1.5
305.21234	43.0
306.21439	4.8
323.09799	5.9
323.13354	2.4
323.22253	88.5
324.22531	7.4
333.32886	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	Unknow
Peak:m/z	Relative Intensity
51.15256	0.4
54.68619	0.4
71.01234	0.5
71.23116	0.8
85.87659	0.4
89.03835	3.4
103.50356	0.4
106.04129	0.8
117.03343	12.2
119.04930	1.8
131.03387	0.5
134.03632	100.0
135.03984	4.0
137.02390	0.5
149.05972	5.3
150.06299	0.4
193.04996	54.9
194.05307	2.9
223.83894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
51.45097	0.7
54.94435	0.7
56.61662	0.7
59.01241	4.1
61.79674	0.6
66.78324	0.8
66.91486	0.7
69.30341	6.4
71.01260	4.5
72.53383	0.8
73.02838	1.5
80.02421	0.7
85.02817	2.8
89.02239	0.7
101.02306	3.4
101.03857	4.0
104.00174	0.8
113.02332	2.2
117.03352	2.3
119.04911	100.0
120.05212	3.7
159.02943	0.8
161.04422	1.8
163.02676	1.2
163.03922	10.3
196.12654	0.7
197.71777	0.8
214.16185	0.8
325.11526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.7
65.19060	0.3
69.44381	1.4
69.44797	1.2
71.01247	0.4
73.02828	0.6
89.02322	1.7
89.03845	2.6
106.04144	0.5
117.03345	10.2
118.03664	0.7
131.03389	1.3
134.03630	100.0
135.03983	4.4
137.02296	0.4
149.04469	6.6
149.05989	6.5
178.02682	0.8
180.29417	0.4
182.82117	0.4
193.04988	71.5
194.05341	4.2
212.85567	0.4
244.35355	0.4
337.61942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
54.09317	0.3
59.01242	0.4
69.91805	0.9
69.92195	0.9
71.01252	2.8
71.75381	0.4
73.02821	1.3
75.73866	0.3
83.01263	0.5
85.02823	1.2
91.05417	1.7
95.78190	0.4
98.19810	0.6
99.00758	0.6
101.02312	1.6
101.03847	4.6
113.02330	1.2
117.03349	2.6
119.04913	100.0
120.05267	4.0
122.21509	0.5
134.03635	5.7
149.05959	0.4
154.32715	0.4
155.77844	0.4
159.02911	0.6
161.04440	1.8
162.70361	0.4
163.03900	4.5
191.70996	0.4
193.04980	6.4
193.06630	0.7
295.38150	0.4
325.09232	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.6
59.01255	8.1
69.03293	0.4
71.01270	3.2
71.05433	0.6
83.04877	0.6
85.02808	1.5
89.02303	2.0
89.02805	0.4
95.04972	0.5
101.02315	1.6
113.02290	1.8
123.04392	1.1
125.09594	0.6
127.07513	0.5
132.20157	0.4
137.05983	0.9
137.09624	1.0
139.07536	0.6
156.04112	0.8
161.04424	1.4
162.10374	0.6
164.45172	0.5
165.09082	2.6
165.12750	1.3
167.14282	0.9
179.10745	0.6
189.12756	0.9
191.14249	0.8
193.12169	1.4
197.11722	1.4
217.15944	1.2
235.13242	0.6
235.15285	0.6
261.22211	4.2
279.23581	0.5
287.19977	0.8
291.19760	1.1
297.10663	0.5
305.21225	100.0
306.21555	8.6
323.09885	2.4
323.22275	21.5
324.22586	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78374	1.6
57.03315	3.7
59.01249	26.7
64.09063	1.9
69.03320	8.7
71.01254	11.0
71.49461	2.1
71.49843	1.9
81.03292	1.6
83.01240	1.9
83.04883	2.2
85.02857	4.0
87.00734	2.9
89.02302	5.5
93.03358	1.6
95.04897	2.8
97.06475	2.2
99.00724	2.0
101.02317	4.2
113.02319	6.9
119.08563	18.8
123.08076	2.3
125.09599	4.2
137.09627	38.4
139.11165	2.1
143.03412	1.9
149.09659	1.6
151.11151	5.4
161.04416	3.4
163.11172	2.0
171.10176	68.1
172.10490	3.2
177.12772	10.1
185.11781	2.5
197.11746	5.4
203.14395	2.4
229.19569	6.0
273.18594	18.9
274.18823	2.8
291.19666	35.3
292.19992	2.2
305.21198	27.3
306.21606	3.9
323.09775	5.6
323.17163	3.8
323.22247	100.0
324.22507	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	323.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
66.63496	1.3
70.50864	4.5
71.01254	3.9
73.62640	1.2
78.93165	1.4
85.02837	1.4
89.02299	2.5
113.02342	3.6
134.68826	1.2
144.60474	1.3
146.22620	1.2
151.61220	1.3
163.62125	1.3
168.01483	1.4
171.10223	1.4
207.56201	1.3
219.32883	1.2
224.55537	1.3
236.24094	1.3
294.07666	2.2
303.54660	1.8
305.17474	1.8
323.18491	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	323.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68619	2.8
57.03328	3.1
59.01250	100.0
62.68454	3.4
67.89420	3.3
69.30717	14.4
69.31142	10.6
71.01262	8.7
71.60411	2.8
85.02824	4.6
87.00764	3.6
89.02294	5.4
93.03338	6.3
96.95909	3.7
98.19694	3.3
101.02326	8.3
113.02366	6.9
119.03318	3.9
124.29886	2.8
137.02322	8.6
188.79924	2.9
249.60590	2.9
301.13242	3.2
323.10944	6.1
323.15021	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01759	3.0
57.03322	20.9
59.01248	100.0
71.01255	22.8
71.04893	15.1
71.50130	4.8
73.02791	4.2
73.03830	3.4
80.02555	3.1
81.03345	4.6
83.01262	10.2
83.04897	11.2
85.02823	14.6
87.00746	5.4
89.02315	11.3
93.03275	2.9
95.01247	5.0
95.04903	25.0
97.02874	3.6
97.06462	16.0
99.04396	3.5
101.02322	13.0
101.05930	6.9
102.62372	2.9
109.06541	6.8
111.00795	3.7
113.02317	12.8
113.05954	5.2
121.02821	4.2
121.06465	4.3
125.05964	3.2
125.09621	23.1
127.07568	3.8
133.64314	2.7
135.08058	9.2
137.09656	3.6
153.09065	3.4
154.74426	3.2
161.04460	12.9
163.11182	8.1
165.12721	5.9
181.12224	10.6
185.11765	14.8
189.12794	4.5
191.10703	7.1
195.14008	4.1
203.10709	4.6
203.14381	9.9
209.11771	81.1
210.12080	5.7
221.11786	4.1
223.13420	4.0
237.14931	61.2
238.15265	5.2
243.17419	7.6
247.13414	5.3
249.14900	5.2
265.14450	12.4
287.16568	27.3
293.55676	3.3
305.17572	49.6
306.17856	3.8
323.09778	13.1
323.18604	29.5
323.21921	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.1
58.00471	3.5
59.01250	99.6
71.01253	64.0
71.01565	1.3
71.35554	2.7
72.99176	5.9
73.02812	2.2
85.02823	12.6
87.00750	5.0
89.02319	52.9
94.23936	1.9
95.01250	6.0
99.00748	2.8
99.04377	2.4
101.02321	39.6
112.98701	4.8
113.02322	22.8
113.99478	5.2
119.03391	30.3
119.75693	1.8
131.03395	4.0
143.03398	5.5
148.84641	1.7
149.04468	2.6
151.03880	2.7
161.02327	5.5
161.04514	4.7
161.08101	2.3
176.04747	3.3
179.03421	6.9
179.05521	3.8
194.05751	8.1
199.21823	1.8
209.08118	13.8
226.20107	1.9
323.13455	100.0
324.13794	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	323.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.34143	0.7
60.65035	0.8
66.26182	0.8
69.32355	3.3
69.32779	4.5
74.71090	0.9
98.19845	1.4
101.02363	0.9
150.64455	1.0
262.36990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36604	1.2
58.00476	1.5
59.00959	2.8
59.01250	46.5
71.01247	11.5
71.49131	2.0
72.99178	4.2
77.25575	1.4
89.02322	9.0
101.02329	7.1
108.08060	1.4
119.03349	1.5
132.28676	1.7
145.07590	2.0
160.06339	19.8
161.07118	74.2
162.07382	3.5
167.03468	2.3
175.08681	51.4
176.08989	2.2
187.08636	1.8
189.06615	100.0
190.06947	5.3
203.08180	42.6
204.08531	2.0
218.06035	2.0
234.86426	1.7
262.05185	1.7
305.11209	3.1
323.12436	32.3
324.12845	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	3.4
59.01252	100.0
71.01254	65.6
71.48531	3.2
72.99193	5.4
73.02795	2.1
73.41245	2.1
83.01261	4.0
85.02830	15.3
85.93800	2.0
87.00754	4.0
89.02316	64.2
95.01304	2.6
99.08011	2.3
100.28238	2.2
101.02319	44.6
112.98687	5.2
113.02315	19.6
113.99469	4.3
119.03393	25.6
143.03438	3.8
145.63657	2.1
149.04326	2.5
151.03931	2.7
161.02309	4.6
161.04500	4.6
162.02077	2.4
176.04678	3.5
177.01828	4.2
179.03447	6.5
179.05492	3.4
194.05775	6.7
209.08177	9.3
255.41483	2.3
313.91138	2.2
323.13510	69.3
324.13818	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82040	1.1
57.03322	1.3
58.00462	4.4
59.01248	99.3
63.43156	1.2
71.01249	51.5
71.04885	1.5
71.48582	1.5
72.99174	5.1
73.02804	2.4
83.01236	3.0
85.02823	11.0
87.00745	4.9
89.01761	2.8
89.02313	52.0
93.03305	2.0
95.01256	5.4
99.00745	2.0
101.02320	36.0
113.02325	23.3
115.01920	1.2
117.43732	1.1
119.02579	2.3
119.03384	25.3
131.03348	2.5
143.03387	3.6
143.92036	1.4
149.04431	5.0
161.04517	2.8
162.62862	1.2
179.05405	2.9
323.07510	3.1
323.13437	100.0
324.13809	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.01265	5.8
71.18764	5.9
79.21101	2.3
85.02833	4.5
89.02328	7.2
101.02307	6.8
105.11926	2.3
111.95238	2.4
113.02314	5.9
161.04349	3.1
218.12852	2.7
237.06908	2.5
252.20656	2.6
301.78110	2.4
323.13406	7.7
331.22766	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.3
58.00476	4.2
59.01250	100.0
60.01553	2.0
71.01251	54.0
71.48296	3.3
72.99163	3.1
73.02832	2.2
78.95776	1.8
85.02827	8.8
87.00750	4.2
89.02318	59.5
90.02673	2.0
95.01262	5.4
99.00745	2.1
101.02322	40.4
106.15267	1.6
113.02335	22.5
119.03391	32.0
131.03444	1.8
143.03392	3.6
149.04404	3.5
161.04451	3.9
173.04465	1.9
179.05539	3.3
191.05533	3.4
323.13464	94.9
324.13882	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
51.33941	1.5
59.01259	8.5
71.01267	2.7
72.22726	1.7
75.69918	1.8
77.18359	1.7
78.95777	22.2
78.96165	2.2
80.96391	8.7
112.29968	1.6
209.09538	2.5
223.16991	14.3
224.17714	2.4
229.53075	2.3
251.16536	14.0
256.16971	2.8
284.16382	4.4
293.25192	2.1
303.23407	11.3
321.24490	100.0
322.24725	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67864	0.6
53.25824	0.5
54.54606	0.5
55.01763	11.7
57.03323	2.2
59.01255	24.1
70.83133	0.9
71.01256	8.4
71.41524	0.5
72.99185	0.9
73.02822	6.6
74.94765	0.6
75.00755	1.7
83.01251	1.2
85.02829	5.3
87.00759	1.1
89.02332	1.6
95.01285	1.1
97.06487	1.0
99.00769	1.7
101.02347	7.2
102.95557	0.5
111.04456	0.7
113.02277	0.9
116.89254	0.5
127.11203	7.0
129.01846	15.7
137.09656	0.6
137.17520	0.6
137.61562	0.6
147.02902	12.7
147.04175	1.1
153.09106	0.7
155.10684	1.2
161.04501	4.6
165.04025	1.3
171.10191	2.3
173.11765	100.0
174.12071	4.2
191.05786	0.7
206.68204	0.6
279.14505	23.4
280.14685	1.0
321.09418	0.7
321.15622	12.5
321.19177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67864	0.6
53.25824	0.5
54.54606	0.5
55.01763	11.7
57.03323	2.2
59.01255	24.1
70.83133	0.9
71.01256	8.4
71.41524	0.5
72.99185	0.9
73.02822	6.6
74.94765	0.6
75.00755	1.7
83.01251	1.2
85.02829	5.3
87.00759	1.1
89.02332	1.6
95.01285	1.1
97.06487	1.0
99.00769	1.7
101.02347	7.2
102.95557	0.5
111.04456	0.7
113.02277	0.9
116.89254	0.5
127.11203	7.0
129.01846	15.7
137.09656	0.6
137.17520	0.6
137.61562	0.6
147.02902	12.7
147.04175	1.1
153.09106	0.7
155.10684	1.2
161.04501	4.6
165.04025	1.3
171.10191	2.3
173.11765	100.0
174.12071	4.2
191.05786	0.7
206.68204	0.6
279.14505	23.4
280.14685	1.0
321.09418	0.7
321.15622	12.5
321.19177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
57.03318	6.9
59.01250	60.2
69.03312	4.0
71.01246	5.4
71.04875	13.8
71.50372	6.4
76.31783	3.1
77.33464	3.5
81.03326	8.8
81.80648	3.3
83.04911	5.7
85.02847	4.3
87.58987	3.6
93.03333	11.0
95.04895	63.3
97.06470	13.8
101.02364	4.2
104.92420	3.4
107.04919	11.5
109.06472	13.0
111.04395	8.5
121.02850	11.6
121.06478	7.4
122.03641	5.9
123.04433	6.4
123.08050	16.0
125.09618	64.1
127.34563	4.0
133.06502	5.0
135.04413	10.6
149.05986	7.1
151.07538	100.0
152.07791	6.6
163.11157	3.9
167.07024	7.4
171.10162	13.5
185.11852	23.1
185.13312	5.8
201.82680	3.5
205.12076	4.3
207.10124	5.0
219.13751	3.6
221.11723	3.9
223.09871	3.9
223.13354	8.0
229.12306	8.8
237.11237	4.4
239.12738	5.5
259.16840	3.5
261.15005	8.7
263.12827	5.3
265.14450	33.1
279.12320	5.4
279.15973	6.2
289.18155	4.6
303.15936	10.3
321.13364	7.2
321.17047	49.0
321.20789	12.4
322.17462	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37595	0.2
57.03324	1.2
57.95573	0.3
59.01249	100.0
60.01592	1.1
69.03330	0.3
71.01259	0.5
71.02091	0.3
71.02439	0.5
81.03315	0.5
83.01304	0.3
83.04903	1.3
85.02812	0.3
95.04968	0.4
97.06441	0.5
107.04914	1.0
109.02835	1.2
109.06470	0.3
119.04863	0.3
121.06485	0.8
123.04419	0.6
124.05200	0.4
125.05973	0.5
133.06490	0.3
135.08084	0.3
136.01462	0.3
147.08087	0.5
159.08040	0.3
182.52571	0.2
217.12283	0.4
261.11292	5.3
262.11780	0.5
277.10675	0.5
279.12357	17.0
280.12668	1.2
321.13416	23.4
322.13885	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	321.1347
Annotation	9alpha-Acetoxycumambrin B
Peak:m/z	Relative Intensity
54.10067	0.7
55.07195	0.7
57.03315	3.9
59.01255	22.9
68.99694	0.9
69.03327	1.4
70.27233	2.2
71.01252	1.8
71.04914	3.3
77.31131	0.6
79.05408	0.7
81.03333	4.6
83.01277	1.0
83.04900	4.4
85.02830	1.7
93.03288	0.8
95.01255	0.8
95.04907	1.9
97.06465	1.9
98.41312	0.7
104.99554	0.6
107.04906	2.1
109.02851	8.8
109.06473	2.3
111.04407	7.0
118.18415	0.6
119.04919	0.8
121.06469	1.9
123.04408	2.5
123.08039	0.7
124.05174	1.9
125.02368	0.7
125.05994	1.8
125.09570	0.8
127.07546	0.8
130.08620	2.2
131.69017	0.7
137.05978	2.0
137.09601	0.8
138.01910	0.9
149.05949	1.0
149.09625	1.4
152.04692	1.4
153.01932	1.0
163.07602	1.7
163.11302	0.8
177.12773	2.6
213.19124	0.8
217.12331	1.6
233.15488	0.7
235.15277	2.6
261.11334	2.2
279.12378	100.0
280.12772	7.0
289.18060	3.0
307.04825	1.1
321.13510	19.2
321.16821	0.7
321.17575	0.7
321.20715	14.0
322.07211	0.8
322.13535	2.2
322.20676	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	321.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44538	0.4
57.03339	1.5
59.01255	100.0
59.95886	0.4
60.01590	1.3
69.03321	0.4
69.05759	0.4
70.42367	0.9
70.42763	0.7
71.01259	0.8
81.03361	0.9
83.04902	2.2
85.02818	0.7
107.04898	0.8
108.02042	0.5
109.02859	1.2
109.06567	0.4
119.96461	0.4
121.03865	0.4
121.06466	0.4
123.04401	0.6
124.05223	0.5
137.05988	0.4
139.07468	0.4
147.08031	0.4
202.51071	0.4
207.00229	0.4
218.19293	0.4
229.15930	0.4
236.03412	0.7
248.37065	0.5
261.11288	4.7
264.03036	1.9
277.10657	0.5
278.04568	0.6
279.12384	16.4
280.12805	1.0
282.56989	0.4
291.01718	0.4
292.02524	2.2
307.04813	0.6
321.09647	0.9
321.13464	18.3
321.16977	1.1
322.07480	3.0
322.13821	1.8
326.35345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10780	0.7
57.03334	1.8
59.01249	100.0
64.10779	0.7
65.37728	0.7
71.01253	1.3
71.51038	1.5
81.03334	1.6
83.04897	2.1
85.02859	1.2
95.04936	0.8
97.06481	0.8
101.02354	1.0
107.04935	1.1
109.02812	1.4
109.06421	0.8
113.33966	0.7
116.37170	0.7
124.05242	1.0
129.39908	0.7
143.00867	0.7
157.08861	0.7
165.62952	0.7
175.07558	0.8
198.73898	0.7
261.11395	3.3
275.16473	0.7
277.10840	0.8
279.12363	15.3
280.12729	2.0
321.13431	17.3
321.16949	1.6
322.13861	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00961	1.0
59.01249	15.2
64.65788	0.6
65.87791	0.7
71.01241	1.3
81.03320	1.0
83.04898	7.3
85.06451	2.5
93.03322	1.0
98.20575	1.9
109.06465	2.0
111.04398	8.7
121.02843	3.0
122.03600	1.0
125.02381	0.8
127.07541	67.5
128.07880	3.0
129.05467	91.3
130.05817	2.2
130.28571	0.8
143.07040	1.8
149.02330	1.3
149.04425	2.2
167.42705	0.6
171.06551	13.4
177.01839	1.0
189.07608	100.0
190.07909	3.5
321.11917	13.3
322.12238	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.8
60.58159	1.3
66.82414	0.9
70.15472	3.9
71.01252	5.5
71.04891	13.6
73.02818	1.1
76.77132	0.8
81.03333	4.0
83.04890	7.9
89.02316	2.3
97.02847	2.0
97.17346	0.9
98.20477	1.2
99.04387	3.9
99.08025	1.6
104.95692	1.0
115.03890	38.4
125.02335	1.1
125.05968	26.5
127.03918	2.0
128.90413	0.9
131.03415	1.4
143.03377	4.1
143.07022	20.9
149.04442	4.1
169.04990	3.7
187.02391	3.0
187.06036	100.0
188.06392	3.3
195.54932	1.0
271.54837	0.9
319.10229	7.0
320.10635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1398
Annotation	Octanoylglucuronide
Peak:m/z	Relative Intensity
50.03651	0.3
57.03321	2.7
58.67263	0.3
59.01257	1.8
69.03326	0.5
69.63480	1.4
69.63892	0.7
70.56290	0.4
71.01254	1.3
73.02839	1.2
83.04888	0.5
85.02807	0.4
87.57233	0.4
89.02302	0.4
95.04925	0.5
96.35021	0.4
97.06469	9.5
99.95562	0.3
101.02319	0.7
123.08040	4.7
125.09615	63.0
126.09933	2.5
127.41168	0.4
131.03377	0.7
135.04477	0.4
143.10675	1.7
169.08565	2.0
171.10155	0.5
187.09689	100.0
188.10034	4.3
203.06805	0.3
233.67200	0.4
319.14001	6.4
319.21201	1.5
320.14331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.8
59.01255	4.8
61.47190	0.5
65.07504	0.5
69.03328	0.9
69.35734	4.1
71.01250	1.6
73.02818	1.3
83.04896	0.5
85.02822	1.4
89.02277	0.7
89.11618	0.6
95.01266	0.6
95.04916	0.6
97.06470	9.3
97.95831	0.5
99.00730	1.1
101.02357	0.8
109.02850	0.8
113.02291	0.8
114.03852	0.6
119.03378	0.7
123.00777	0.6
123.04427	1.1
123.08044	4.4
125.02357	1.0
125.09615	79.3
126.09956	3.6
133.02888	0.7
134.03619	0.7
135.04407	3.9
139.00354	0.6
143.10690	1.8
145.02866	1.2
149.02332	0.7
150.03178	1.3
151.00240	0.9
151.03883	2.8
161.02414	1.3
169.08693	2.6
177.01843	1.0
179.03464	3.6
187.09694	100.0
188.10011	4.6
191.03299	0.6
222.38867	0.5
227.11823	1.1
257.12939	2.2
260.10599	0.7
260.63318	0.6
272.42065	0.5
301.11902	0.8
306.71646	0.5
310.57642	0.6
319.04959	0.7
319.09052	1.4
319.13873	7.0
319.17374	1.0
319.21140	3.4
319.59473	0.6
320.14520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	25.1
69.03349	1.8
69.97754	1.7
71.01247	7.6
71.16053	2.1
71.16380	2.2
73.02831	3.2
75.00750	1.9
85.02826	3.2
87.28787	1.7
89.02315	3.0
95.04951	1.7
96.05199	1.5
97.06477	12.8
99.08042	4.1
101.02309	2.8
112.35506	1.4
113.02352	2.9
123.08054	2.4
125.05995	8.6
135.02905	14.0
137.59373	1.4
141.09114	60.5
142.09447	3.2
142.31456	1.6
143.07039	100.0
144.07394	4.4
149.48975	1.6
161.04405	1.6
175.03966	1.7
185.08150	17.7
189.11256	16.4
203.09184	99.4
204.09570	6.1
240.63461	1.7
260.55145	1.6
321.11908	45.0
321.15207	1.8
322.12271	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	319.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16290	0.6
59.00960	1.1
59.01248	19.7
71.01249	5.0
71.04892	14.1
71.48735	0.6
81.03332	4.1
83.04887	8.1
85.02868	0.7
89.02317	0.7
97.02819	2.3
99.08027	1.9
110.03603	0.8
115.03891	34.4
125.02312	1.0
125.05973	22.5
126.06313	1.1
127.03893	2.2
143.05951	1.4
143.07036	20.7
143.84740	0.6
144.07304	0.9
149.04437	3.5
151.03943	0.9
169.04968	4.2
172.46405	0.6
182.93524	0.6
187.06035	100.0
188.06401	3.5
227.43277	0.6
289.76740	0.6
319.10333	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63794	0.6
53.32580	0.5
59.01249	2.6
62.70113	0.6
63.31580	0.6
67.77015	0.7
69.03342	0.8
69.59335	2.4
69.59749	1.2
71.01257	3.4
72.99206	0.9
73.02807	1.7
79.23317	0.6
80.04940	0.7
83.01219	0.7
89.02312	3.3
99.27230	0.6
107.01326	0.7
109.02819	2.0
111.04421	0.6
122.31771	0.6
123.08043	5.2
125.02362	0.8
127.61259	0.6
131.03409	1.3
137.96585	0.6
141.09109	100.0
142.09428	4.2
149.02415	0.7
149.04459	12.6
151.00278	1.9
152.00983	0.6
153.01804	1.4
159.06561	0.8
163.00301	1.7
167.07117	0.8
167.41513	0.7
178.99805	1.8
184.66216	0.7
184.79353	0.6
185.08119	52.9
186.08481	2.4
190.99765	1.8
199.09776	1.1
227.03557	0.8
255.03011	1.2
271.02524	2.0
273.12341	0.8
299.01947	2.5
317.02975	2.8
317.12582	4.0
317.16238	0.8
317.19485	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30109	1.5
66.47231	1.6
81.34883	1.5
83.38300	1.3
93.09498	1.4
95.67386	1.4
98.20553	4.4
106.06509	100.0
107.06824	2.9
109.02818	4.8
110.02361	4.0
116.04954	3.0
122.05965	3.5
123.03177	2.7
125.02305	1.6
132.04428	3.6
134.06010	2.9
138.05524	18.2
138.09814	1.4
140.07069	16.3
144.08069	4.2
150.05505	12.4
151.00310	1.6
152.03438	39.8
153.03743	1.7
157.08876	1.7
163.00276	2.4
163.04031	1.6
166.04987	16.5
167.05797	97.3
168.06187	3.2
170.09686	3.8
171.10333	1.9
186.12817	16.1
190.99797	3.3
194.04471	4.0
198.07874	1.6
200.07069	2.3
201.07887	14.6
206.99295	1.8
211.12288	1.8
215.09459	9.4
225.06647	5.2
226.07411	6.7
227.11835	2.4
230.11821	43.9
230.14143	2.2
231.12218	2.3
239.08228	2.8
240.08980	6.4
255.02777	1.9
255.11395	41.2
256.11862	3.4
271.02237	1.7
273.12442	49.2
274.10477	8.9
274.13281	2.8
299.02081	4.8
299.10373	13.9
317.11407	61.3
318.11758	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	316.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60893	1.6
51.95366	1.6
53.06644	1.4
58.81775	1.7
59.01252	19.0
69.98198	4.3
69.98608	3.1
70.25460	1.5
71.01257	8.2
71.58803	1.6
83.69687	1.5
84.04420	2.4
110.02358	1.8
112.03926	45.1
122.06033	3.9
124.03938	31.6
140.07062	17.5
149.04453	1.8
166.04993	2.5
184.06076	100.0
185.06404	4.0
189.33391	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	317.0303
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
52.02453	1.5
54.72338	1.2
57.03311	3.1
59.01250	2.9
63.02280	8.4
65.00201	11.7
67.01771	1.8
71.01264	3.2
71.49410	1.7
73.02810	1.6
81.03340	1.8
83.01263	12.4
89.02358	1.5
95.01279	11.2
99.04400	4.9
101.02290	2.1
107.01281	22.2
108.02069	3.2
109.02842	100.0
110.03196	3.1
113.01495	1.4
113.02331	2.5
119.04916	2.7
123.00777	2.3
124.01566	8.7
125.02353	21.7
133.02872	4.3
135.00809	12.4
137.02351	4.2
137.31065	1.5
139.00325	2.7
141.09166	3.9
148.03993	1.5
149.04509	1.4
151.00282	59.2
152.01077	17.2
153.01837	34.1
154.02164	1.8
159.04379	2.5
161.02377	4.6
163.00287	66.9
164.00945	5.3
169.01370	6.5
175.03896	5.4
178.99786	37.3
181.01318	3.2
182.03651	1.3
185.02255	4.1
185.08150	2.3
187.03925	3.7
189.01910	3.0
190.99792	50.8
191.99982	1.4
199.03845	2.4
201.05550	1.9
203.03473	6.7
205.04910	1.7
206.99289	32.0
207.02945	1.8
208.00082	14.8
210.03122	1.7
211.04057	8.7
211.05777	1.6
217.04996	4.5
227.03458	18.7
228.03860	2.0
229.01503	1.3
229.04974	2.0
230.01974	1.5
231.02914	8.5
232.21356	1.4
235.11806	2.5
245.04576	5.1
255.02975	26.8
256.03436	2.0
258.01733	2.0
271.02530	8.6
273.04028	5.6
273.09479	1.2
273.12527	4.3
299.01974	18.0
317.03207	8.3
317.06558	2.4
317.11249	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	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68527	0.3
57.03311	0.8
59.01246	6.3
60.25367	0.3
61.12956	0.3
61.46144	0.3
69.03331	4.3
71.01254	3.0
71.04891	2.5
72.99169	0.7
83.04901	0.7
84.97004	0.3
89.02300	2.3
91.03899	1.6
92.04903	0.3
93.03341	0.4
95.04901	0.6
97.02803	0.3
97.06503	1.1
98.19829	0.8
99.00768	0.5
101.02319	1.3
108.02046	1.1
109.02886	0.4
111.04398	0.6
119.03392	1.0
121.02782	0.5
123.04395	0.9
123.08044	1.5
125.09643	1.7
132.04466	1.4
135.04448	3.3
137.09645	0.4
145.02817	0.4
151.00259	0.6
151.03917	0.9
151.11180	1.9
153.01799	0.5
153.05428	0.7
153.12737	2.2
161.09647	4.3
165.01836	0.6
179.10698	13.7
180.11031	0.9
183.10167	2.1
197.11757	100.0
198.12122	4.5
209.11809	0.4
215.03520	0.6
222.96587	0.4
223.09752	3.0
241.10776	16.6
242.11177	0.8
243.03018	0.5
255.02930	0.5
271.02414	0.4
271.10745	0.5
276.09311	0.3
287.01843	0.9
300.02567	0.8
315.01440	1.3
315.05063	0.8
315.11044	1.9
315.14444	39.6
316.14743	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	315.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.4
61.98687	1.6
65.00179	2.2
71.49919	2.6
79.05396	4.7
83.04873	3.8
93.03328	2.3
101.02334	1.7
117.03304	3.2
119.08555	17.2
121.02837	3.1
123.04395	5.0
131.08525	6.5
137.09633	3.8
141.49657	1.4
145.02853	3.1
151.00327	2.2
153.05460	6.4
165.01888	8.4
237.16333	2.4
253.19609	8.3
271.20627	16.0
272.02792	12.9
287.05414	3.5
300.02371	12.1
301.02737	2.4
315.04932	18.3
315.16006	6.1
315.19586	100.0
316.04727	2.0
316.19806	8.8
327.23868	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	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03345	0.7
58.00466	3.3
59.01250	73.8
65.00202	1.0
66.44228	0.6
69.43899	4.9
71.01252	33.1
72.99173	3.7
73.02807	1.8
83.01268	2.5
84.04433	0.7
85.02802	3.2
85.81027	0.5
87.00751	0.8
89.02317	31.9
95.01259	1.1
101.02321	34.7
107.04910	1.0
109.02872	0.7
113.02330	6.6
119.03387	27.3
120.03652	0.6
121.02805	1.2
123.04427	3.8
131.03401	1.3
135.04411	100.0
136.03851	0.7
136.04724	3.5
143.03464	1.4
149.04422	0.9
151.00259	2.2
153.05458	2.7
161.04453	2.2
165.01839	1.9
178.99721	1.0
179.05533	2.7
185.50217	0.6
203.06401	0.6
214.18059	0.6
255.03050	0.7
271.02521	1.5
283.02441	1.1
287.01959	1.4
300.02368	2.3
315.01349	2.5
315.04877	4.5
315.10840	62.9
316.11166	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	315.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.8
58.82867	0.4
59.01251	2.6
60.99171	0.4
69.03325	2.8
69.52042	2.7
71.01246	1.6
71.04887	0.7
73.02831	2.7
79.43297	0.3
83.04900	0.8
85.02858	0.4
85.06459	1.0
89.02317	1.0
101.02296	0.7
111.08077	0.6
113.05984	0.5
119.03416	0.4
121.10120	7.9
123.04559	0.4
131.03404	2.1
135.04419	2.2
137.09544	0.6
139.11201	10.9
153.05505	0.4
183.10199	100.0
184.10535	4.1
225.11465	0.4
300.33356	0.4
315.10938	1.1
315.14499	2.9
315.18036	0.9
320.01865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01755	1.3
57.03345	0.7
58.00466	3.3
59.01250	73.8
65.00202	1.0
66.44228	0.6
69.43899	4.9
71.01252	33.1
72.99173	3.7
73.02807	1.8
83.01268	2.5
84.04433	0.7
85.02802	3.2
85.81027	0.5
87.00751	0.8
89.02317	31.9
95.01259	1.1
101.02321	34.7
107.04910	1.0
109.02872	0.7
113.02330	6.6
119.03387	27.3
120.03652	0.6
121.02805	1.2
123.04427	3.8
131.03401	1.3
135.04411	100.0
136.03851	0.7
136.04724	3.5
143.03464	1.4
149.04422	0.9
151.00259	2.2
153.05458	2.7
161.04453	2.2
165.01839	1.9
178.99721	1.0
179.05533	2.7
185.50217	0.6
203.06401	0.6
214.18059	0.6
255.03050	0.7
271.02521	1.5
283.02441	1.1
287.01959	1.4
300.02368	2.3
315.01349	2.5
315.04877	4.5
315.10840	62.9
316.11166	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	315.0512
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
56.71399	0.6
57.91973	0.7
59.01240	1.4
63.02269	1.3
65.00192	18.0
65.57812	0.7
77.12554	0.7
82.79060	0.7
83.01251	1.0
89.00197	4.6
91.01776	3.3
91.65924	0.7
93.03333	6.8
97.02827	11.7
98.20613	1.1
105.37389	0.7
107.01273	2.3
109.02837	3.4
121.02840	46.6
122.03178	1.5
139.03917	2.9
149.02348	3.4
149.99469	6.3
151.00291	4.2
152.01035	1.1
163.00255	2.3
164.01048	2.1
165.01839	94.2
166.02176	4.5
178.02576	1.0
192.00584	1.0
193.01364	9.2
199.04147	0.9
207.02948	1.6
216.04114	1.4
226.02754	0.7
227.03542	1.7
228.04251	2.8
229.69800	0.8
243.02957	2.2
244.03673	2.9
255.02966	3.1
259.06088	2.3
271.02438	2.9
272.03186	3.5
283.02307	1.7
287.05627	3.5
300.02701	16.8
301.03192	1.0
315.05090	100.0
316.05463	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.46675	0.3
59.01255	2.0
71.01253	2.3
71.15488	0.6
73.02825	0.9
81.03334	1.2
83.01270	0.4
85.02821	2.6
89.02306	1.0
93.03342	0.9
95.01269	1.2
99.00748	0.5
101.02312	1.0
107.04898	0.4
108.02052	100.0
109.02850	31.5
110.03173	0.7
113.02325	1.1
119.03377	0.5
121.02882	1.4
123.00770	0.5
123.04369	1.3
125.02341	3.0
126.02662	2.6
133.02873	0.8
135.00745	0.5
135.04411	0.8
151.03986	1.5
152.01056	60.8
153.01843	28.8
154.02187	0.8
157.34312	0.3
163.03906	1.4
165.01854	2.0
184.06081	0.8
225.04124	0.4
233.27991	0.3
281.53281	0.3
315.07208	75.6
316.07513	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01247	0.4
60.18349	0.5
64.14091	0.5
71.01255	1.9
71.18809	1.1
74.79404	0.4
75.13670	0.4
78.36646	0.5
81.03337	0.7
83.15529	0.4
85.02814	2.8
85.44301	0.5
93.03332	0.5
95.01269	1.9
101.02322	0.6
108.02052	100.0
109.02859	29.1
109.03384	0.3
110.03157	0.6
113.02326	0.9
121.02840	1.0
123.00778	1.5
123.04398	1.5
133.02856	0.6
135.04451	0.6
142.18068	0.5
151.03911	1.1
152.01056	72.2
153.01851	22.9
153.03108	0.9
154.02213	1.0
163.03941	1.5
165.01813	1.1
202.13208	0.5
212.42654	0.4
241.79926	0.5
258.06363	0.6
315.07227	17.3
316.07703	1.3
327.56918	0.5
328.51614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0431
Annotation	3-methoxyluteolin
Peak:m/z	Relative Intensity
52.81215	0.5
59.01233	1.2
63.02270	0.9
65.00186	1.2
72.78960	0.5
76.78154	0.5
86.00596	0.5
89.00187	0.7
97.02737	0.6
107.01254	1.4
109.02805	1.7
121.02808	0.9
123.04352	0.5
133.02809	2.5
135.00766	0.6
143.04922	0.8
145.02818	0.9
145.95450	0.6
147.00706	0.8
151.00230	1.7
153.05495	1.0
155.04875	0.6
157.02893	0.5
165.01860	1.7
171.04388	3.0
173.02480	0.6
175.03937	2.7
183.04350	0.7
187.03905	2.3
188.09116	0.6
196.67558	0.6
197.02353	0.7
199.03911	11.4
201.01817	3.2
203.03482	0.6
214.02533	0.7
215.03410	4.3
225.01990	0.8
226.02696	2.0
227.03447	6.7
242.02170	2.6
243.02953	8.5
253.21703	0.9
254.02295	1.0
255.02808	1.2
269.04471	1.8
270.01700	1.8
270.04587	0.7
271.02457	81.7
271.20599	0.7
272.02811	4.5
282.01648	1.5
285.04068	2.3
287.34683	0.6
299.01947	100.0
300.02383	7.8
314.04300	88.3
315.04660	7.5
315.19553	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	314.8646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49434	1.2
59.04267	1.2
59.35401	1.1
70.09010	3.9
70.09418	2.7
79.17653	1.1
87.20369	1.7
93.83765	1.2
96.95885	5.0
98.20472	1.7
112.78373	1.3
136.93900	60.2
137.93987	4.7
173.82327	1.1
178.94968	4.7
192.48763	1.2
194.93005	1.5
210.03886	1.3
216.89613	55.3
217.89694	4.4
234.90663	28.6
234.92970	1.5
235.90671	1.5
252.93513	2.6
272.85419	66.6
273.85538	4.8
274.88818	1.6
287.84119	14.7
288.84079	1.9
290.86490	37.3
291.86658	2.2
296.85367	2.8
305.85263	2.0
314.86465	100.0
315.86465	7.4
316.84299	5.1
332.87527	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	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04715	3.7
59.01254	67.9
59.12399	3.8
65.00191	6.7
65.74065	4.3
67.50305	3.8
68.95559	3.4
69.36439	38.2
71.01250	3.8
73.02830	5.2
75.00747	13.1
83.04895	4.3
89.02296	6.0
92.27343	4.1
97.02819	6.7
106.56748	3.9
121.02850	18.9
151.03893	7.3
165.01822	12.0
170.03766	4.2
172.05424	4.4
173.06003	11.7
179.05582	4.8
182.03687	6.9
186.03090	8.2
198.03151	13.0
199.07538	7.0
214.02632	23.6
215.06894	5.2
225.59048	4.1
226.02666	20.7
229.05006	6.9
241.01398	9.7
242.02161	47.6
243.02486	5.6
253.01338	4.7
253.18024	17.3
253.20560	4.4
254.02208	23.6
257.04517	15.2
269.04520	17.9
269.15298	5.0
270.01694	17.6
270.04446	4.5
271.02350	9.7
285.04007	34.7
299.01917	11.4
313.03564	100.0
313.06946	3.6
313.14328	11.9
313.20142	4.9
313.23669	6.6
314.04099	26.4
334.01486	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	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.69567	0.2
53.15596	0.2
56.45276	0.1
59.01262	0.7
65.08443	0.2
69.72204	0.8
71.01266	0.4
77.03863	0.4
79.05140	0.2
88.79079	0.2
89.02316	0.2
91.01731	0.2
91.14651	0.1
93.03365	0.2
96.13403	0.1
101.02339	0.2
112.74241	0.2
121.02853	100.0
122.03179	3.4
145.02882	0.2
151.03920	0.2
165.01878	0.3
180.05696	1.2
181.06526	4.5
182.06895	0.3
186.03046	0.2
198.03123	0.4
199.07388	0.2
211.64787	0.2
214.02635	0.5
225.05531	6.5
226.02676	0.4
226.05876	0.5
241.01411	0.2
242.02124	0.8
254.02119	0.5
257.04489	0.3
269.04544	0.5
269.08102	0.3
270.01755	0.3
271.02209	0.2
285.03998	0.3
299.01801	0.3
313.03546	2.0
313.07144	12.4
313.23773	0.3
314.04282	0.3
314.07452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.00151	0.6
58.81450	0.5
59.01253	3.0
61.94742	0.6
65.00207	1.7
71.01256	1.6
71.50145	0.8
73.68702	0.5
75.00724	1.0
83.04905	0.7
85.02830	0.7
89.02312	2.5
93.03345	0.5
97.02842	1.1
101.02318	0.7
119.03444	0.7
121.02813	3.1
123.04386	0.9
132.02124	0.7
145.02902	1.3
149.19502	0.6
150.03094	1.0
151.03929	2.8
158.03600	0.7
159.00775	0.6
159.04431	0.7
165.01814	3.5
171.10269	0.8
179.05544	0.7
182.03665	0.7
186.03181	1.3
190.52139	0.6
198.03130	2.7
199.03868	0.7
208.17319	0.6
211.03894	0.7
214.02602	3.1
226.02682	2.5
227.03561	0.7
241.01411	1.4
242.02188	6.3
245.00986	1.3
245.18999	1.0
253.09032	0.8
254.02193	4.6
255.02972	90.1
256.03278	6.3
257.04654	3.3
269.04495	2.9
270.01721	3.1
270.05325	7.4
271.02380	1.7
271.05231	0.6
283.02484	34.2
284.02850	3.0
285.04013	3.9
294.21719	0.8
297.04108	1.6
298.04822	100.0
299.02005	1.5
299.05167	7.2
312.22571	1.5
313.03552	17.7
313.07178	71.0
313.17703	6.5
313.23404	3.4
314.04050	2.2
314.07541	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03308	2.3
58.22300	0.7
58.97320	0.8
59.01235	3.2
61.88025	0.7
66.25408	0.6
70.25832	1.6
70.26185	2.0
71.01243	0.7
71.17538	0.7
74.61903	0.9
97.02837	1.3
97.06449	1.2
98.84498	0.6
99.08029	1.1
113.09597	5.8
121.10094	2.1
125.09599	1.5
127.11160	1.8
137.09598	1.5
139.10147	1.5
139.11185	23.7
153.09045	1.1
155.10663	1.8
167.10631	1.5
171.10179	34.3
172.10535	1.1
183.10023	0.9
183.13763	0.9
185.11754	1.9
193.12312	1.6
201.11172	1.6
211.13339	3.7
249.22171	2.5
275.20193	0.9
293.21228	37.3
294.21494	3.0
311.22256	100.0
312.22559	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.57586	0.6
53.29426	0.5
55.07404	0.5
57.03324	1.2
59.01254	5.7
60.00270	0.5
63.18849	0.6
70.76109	0.6
71.01255	0.8
72.75648	0.5
83.04890	0.6
97.06470	1.1
101.87736	0.6
102.10237	0.7
123.08037	1.0
125.09586	2.9
139.11169	1.7
141.09082	1.8
141.12766	0.9
149.04454	1.2
153.09108	1.6
155.14291	2.1
157.12202	1.1
167.10690	1.0
171.10185	3.9
183.01141	1.1
183.13940	0.6
193.12292	0.7
197.02730	0.7
199.09630	0.8
200.10519	2.0
214.06223	2.2
239.06918	0.5
249.22174	2.5
251.11394	1.1
265.21707	1.8
267.23318	1.1
269.10379	0.9
275.20148	1.4
283.22687	0.7
292.20654	0.6
293.21274	9.1
294.21402	0.8
311.16568	2.6
311.22256	100.0
312.22601	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0352
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
51.25430	0.4
54.11512	0.4
54.13840	0.4
59.01243	2.2
64.42343	0.4
65.00190	9.3
69.20290	1.3
69.20701	3.1
71.01236	1.1
75.00746	1.0
85.02802	0.4
89.00195	1.8
89.02303	0.7
91.01756	3.0
97.02826	6.1
108.02062	0.9
119.01299	1.9
121.02838	3.5
122.59525	0.4
123.00710	0.5
123.04372	0.5
126.04678	0.5
126.82343	0.5
129.63879	0.4
130.04155	0.7
132.02032	0.5
133.02805	1.1
135.04498	0.7
137.02390	0.6
145.02907	2.0
147.00772	2.2
149.03889	1.5
149.99486	3.4
150.04918	0.5
151.00194	0.6
151.03871	1.5
151.04933	0.5
154.04134	2.0
157.02864	0.9
158.03648	4.7
159.00760	0.5
160.01559	0.6
161.02327	1.2
161.04465	0.5
165.01837	17.3
169.02846	3.3
170.03665	3.4
171.04466	0.8
172.01501	0.7
173.02351	0.9
174.03130	0.7
182.03650	4.7
185.02327	3.0
186.03146	10.2
189.01918	0.8
192.00563	0.8
197.02386	2.4
198.03139	19.2
199.03801	2.2
200.01178	0.5
201.01871	1.0
202.02647	0.8
209.02454	0.5
210.03125	1.4
213.01866	2.3
213.05467	3.1
214.02652	22.2
215.03108	2.0
216.00587	1.8
218.02150	0.5
225.01877	1.4
226.02646	19.1
227.03242	2.4
229.01369	1.1
229.05035	2.0
230.02077	0.4
240.99541	0.4
241.01369	15.0
241.05002	4.3
242.02161	48.2
243.02664	3.8
245.00894	5.5
253.01431	1.8
253.09283	0.5
254.02170	26.2
255.02586	2.1
257.04523	18.1
258.04965	1.0
269.01193	0.9
269.04532	17.6
270.01691	23.6
270.04626	1.4
271.02441	13.8
285.04031	30.9
286.04489	2.3
298.01224	6.5
298.04565	0.6
299.01950	15.2
313.03525	100.0
313.23782	0.7
314.04156	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03307	1.7
59.01014	1.3
59.01252	20.6
60.31785	1.4
68.44961	1.4
70.28462	1.4
71.01240	3.2
73.02814	3.7
76.43991	1.5
78.33920	1.4
83.04926	2.3
83.76176	1.3
89.02310	3.3
93.63595	1.6
101.02305	2.4
121.02895	2.1
121.10111	2.1
125.09544	1.9
127.11170	3.7
130.82135	1.4
135.04413	3.3
139.11192	11.2
149.04459	9.5
149.45657	1.4
161.04524	1.4
171.10176	53.6
172.10513	2.5
179.03441	1.6
179.22957	1.3
183.01160	3.0
183.10179	4.1
185.11757	7.9
186.06757	3.7
201.11198	6.1
211.13367	4.6
214.06267	3.7
222.03018	1.4
251.11374	2.3
269.10291	2.7
275.20145	4.1
293.21222	22.8
311.09814	2.1
311.13055	6.4
311.16638	5.4
311.22275	100.0
311.29556	4.2
312.22678	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	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03320	1.9
58.00458	1.6
59.01255	9.3
69.03319	1.5
69.76514	0.5
69.90537	0.4
71.01245	1.6
71.04888	0.4
71.50434	0.7
73.02807	0.6
83.04897	1.4
97.02821	0.5
97.06467	0.7
99.08047	2.2
107.95921	0.4
109.06501	0.7
111.08036	1.4
112.08382	0.7
113.09595	2.9
119.08566	1.6
120.08885	0.5
121.52575	0.4
123.08070	0.9
125.09625	1.9
127.07521	1.8
127.11209	2.8
129.09097	5.8
137.09615	2.0
138.09972	1.2
139.10233	1.0
139.11226	1.7
141.09094	0.5
147.56065	0.5
149.04471	2.0
150.15045	0.5
151.11142	1.0
153.12775	0.7
155.10701	1.7
161.04460	0.6
163.11208	0.8
165.09161	0.7
167.10779	0.6
169.12262	1.7
171.10201	7.7
172.10519	4.3
173.10707	5.9
181.12276	5.5
183.10213	1.3
183.13852	4.2
185.11800	0.7
186.06827	1.7
186.12093	1.9
187.12491	0.5
193.12212	2.6
197.11777	9.4
198.12106	2.3
199.13609	3.5
201.11267	16.1
202.11560	1.0
205.08316	0.5
211.13348	15.5
211.15495	0.8
212.13741	0.8
213.15091	0.7
214.06308	2.0
215.11736	0.9
218.18355	0.5
239.06915	0.6
241.14310	0.7
251.11407	1.0
269.10419	0.5
275.19995	2.7
291.19617	0.6
293.21158	19.0
294.21503	1.2
311.22269	100.0
312.16428	0.6
312.22617	7.8
320.30447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.35805	1.2
59.01247	2.7
71.07066	2.1
71.07407	1.6
90.15549	1.4
103.63689	1.2
125.09588	3.1
127.11171	4.6
129.09108	1.4
139.11206	9.3
144.04401	1.1
148.63673	1.1
153.09181	1.4
155.10718	2.0
160.88843	1.2
161.17622	1.3
165.09096	1.3
171.10179	55.7
172.10564	2.3
173.11697	1.3
181.12228	2.3
183.10162	4.1
185.11803	8.3
197.11713	6.0
199.13391	2.2
201.11273	9.7
211.13329	8.9
212.56801	1.1
275.20145	3.3
293.21268	18.3
311.22278	100.0
312.22672	9.4
326.60443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
56.79557	0.7
57.03310	2.1
57.33051	0.7
58.40071	0.7
59.01230	1.7
59.78780	0.7
60.77360	0.7
65.84142	0.7
67.83404	0.7
69.03337	0.7
71.20211	0.9
71.20541	1.5
74.70635	0.7
83.04890	1.2
92.46041	0.7
97.02851	0.9
97.06488	1.0
99.08031	3.3
111.08057	1.3
113.09583	3.8
121.10103	1.4
125.09611	0.9
126.23628	0.7
128.77107	0.7
129.09113	7.1
129.74684	0.6
139.11186	3.4
139.46574	0.7
151.11220	0.8
153.12787	0.9
169.12263	2.7
171.10170	13.3
177.12833	0.8
181.12250	5.0
183.13837	2.3
185.11807	2.1
193.12257	4.3
197.11786	14.7
199.13318	5.5
201.11189	0.7
211.13338	21.6
212.13538	1.1
215.56772	0.7
216.43762	0.7
227.12788	1.1
271.23685	0.8
275.20117	2.0
293.21225	24.5
294.21609	1.9
311.22278	100.0
312.22647	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	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01254	1.1
59.20048	0.2
64.94728	0.1
79.54533	0.2
79.95675	0.2
90.34455	0.2
97.50828	0.2
98.20592	0.4
102.51285	0.2
115.48615	0.2
118.88034	0.2
125.50311	0.2
133.06503	2.6
134.06822	0.3
139.45978	0.2
149.09630	100.0
150.09975	4.5
170.00337	0.3
177.05368	0.2
182.99500	0.4
183.01137	6.6
184.01717	0.4
197.02815	0.4
216.00896	0.3
244.57072	0.2
251.11325	0.2
254.10179	0.2
260.86755	0.2
311.16791	13.0
311.20093	57.2
312.17068	1.4
312.20432	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.99823	0.8
55.07516	0.7
56.15391	0.7
57.03320	3.4
59.01260	4.2
62.90709	0.8
68.02002	1.0
73.12199	0.8
74.55830	0.8
80.15515	0.8
83.04901	0.9
90.90832	0.7
91.61586	0.7
97.06491	0.9
98.19792	2.0
99.08036	1.8
106.23127	0.9
108.30059	0.8
113.09626	4.3
114.41212	0.8
127.11240	1.2
129.09120	6.9
139.11211	4.2
153.12764	1.6
155.10652	0.8
169.12234	1.4
171.10223	8.2
178.19774	0.9
181.12273	6.2
183.13823	3.1
185.11688	1.3
186.06833	1.1
193.12276	3.4
195.13893	1.4
197.11792	8.7
199.13280	3.4
201.11342	0.9
211.13368	18.2
212.13562	1.2
236.72046	0.7
249.22174	1.7
275.20157	1.0
293.21237	38.8
294.21588	2.5
295.69171	0.9
311.22293	100.0
311.81891	0.8
312.22693	10.4
313.32843	0.8
329.77975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
58.54420	0.6
59.01255	10.7
61.28820	0.5
61.98696	0.6
63.20051	0.4
71.01241	1.4
80.88329	0.5
83.04924	0.7
89.02312	0.7
97.06489	0.7
101.02380	0.6
111.08064	0.5
113.09626	0.8
121.02847	1.3
122.03622	1.3
123.04463	0.6
126.59470	0.5
135.04427	0.7
149.04462	1.5
161.04462	1.2
167.14330	2.2
171.04460	0.6
186.06754	3.1
193.15959	1.0
211.13298	0.7
214.06302	3.5
223.20607	2.5
229.22913	0.7
233.15576	0.6
239.07039	1.1
249.18610	3.6
267.19662	100.0
268.20029	7.2
269.10251	1.3
275.16574	7.6
276.16998	0.8
293.17606	35.3
293.20724	1.6
294.18005	2.3
311.12979	1.5
311.18658	32.3
311.22238	7.1
311.29483	1.1
312.19040	2.8
312.22440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13686	2.7
59.01252	100.0
64.43166	2.8
67.76353	3.3
77.53477	2.7
89.02358	3.1
98.20679	5.9
135.04425	5.1
149.04446	19.4
177.38701	3.4
179.03491	4.5
186.06796	16.4
214.06293	18.5
215.07036	3.3
311.12875	3.7
333.92914	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82003	0.7
55.01739	1.4
57.03320	2.2
58.00474	1.2
59.01249	54.6
60.88689	0.7
68.99648	0.9
69.03326	1.0
70.15289	2.2
71.01250	15.8
73.02819	29.1
81.91506	0.7
83.01246	3.8
85.02819	10.7
87.00746	3.0
89.02324	5.0
99.00751	1.8
101.02323	21.9
107.04923	1.5
113.02322	3.3
131.03462	1.1
133.02832	1.4
134.03641	8.7
135.02859	1.0
135.04422	17.6
135.08052	5.0
136.04755	1.1
149.03323	1.2
149.04465	18.6
161.02510	3.9
161.04460	30.6
161.05824	1.5
178.02583	0.9
179.03426	14.8
179.07054	12.7
180.03740	1.6
193.04970	7.2
269.10294	100.0
270.10672	7.1
270.60150	0.8
311.09521	7.4
311.59723	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
70.40175	9.1
71.01254	13.1
73.02829	3.9
89.02310	3.8
98.19846	2.8
101.02324	7.0
127.93438	2.5
135.04420	3.9
136.15854	2.6
149.04460	5.3
161.04431	6.6
168.91039	2.9
251.11305	16.0
311.22253	3.2
311.29187	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28917	0.9
55.01752	3.7
57.03313	4.3
58.00458	2.2
59.01251	70.4
69.49294	0.9
70.87847	2.2
71.01251	18.5
72.99163	2.5
73.02821	48.0
83.01250	6.8
85.02835	13.6
87.00755	3.3
88.84798	1.4
89.02323	1.9
95.01250	1.0
99.00784	1.8
101.02325	26.3
113.02330	4.0
135.04390	1.3
135.08061	5.9
148.05431	0.9
159.66264	1.0
161.04468	35.2
179.03459	1.3
179.07063	11.8
228.71117	1.1
251.09004	1.2
262.30551	1.1
269.10300	100.0
270.10571	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	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45368	0.1
55.01749	0.1
57.03324	0.6
59.01251	100.0
60.01583	0.7
71.01257	2.1
71.49858	0.2
72.99187	0.2
73.02818	1.0
83.01279	0.4
85.02818	1.2
87.00744	0.1
89.02316	0.4
89.10952	0.2
95.01283	0.2
97.02881	0.2
99.00750	0.2
101.02320	1.6
113.02328	0.8
121.02877	0.3
122.66490	0.1
131.03429	0.2
134.03671	0.7
135.04446	0.9
135.08043	1.7
140.72389	0.1
149.04449	1.4
150.03151	0.5
151.03690	0.3
159.02950	0.2
160.01607	0.2
161.02367	0.2
161.04456	1.2
175.03954	0.2
179.03502	0.6
179.07057	5.3
180.03845	0.1
180.07484	0.2
182.86101	0.1
193.05054	0.6
230.06854	0.2
251.11488	0.1
269.10260	1.8
310.58829	0.3
311.11560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.4
59.37058	0.4
68.73793	0.3
69.03314	0.4
71.01252	5.8
71.30661	0.5
73.02440	0.6
73.02817	4.9
83.04903	0.3
85.02787	0.6
87.00756	2.8
88.22787	0.3
89.02314	28.0
101.02313	0.6
103.03894	1.4
105.97813	0.4
107.04893	0.7
131.03391	5.9
132.65941	0.4
133.02847	1.8
134.03656	2.4
135.04417	28.8
135.96901	0.3
136.04739	1.2
145.88965	0.3
149.04456	100.0
150.04842	2.1
161.02357	3.1
161.04433	0.4
167.87680	0.4
171.04457	0.4
179.03412	17.8
179.30844	0.4
180.03778	1.2
186.06781	2.4
214.06277	3.7
229.10756	0.4
269.10284	0.4
293.21042	0.7
311.07758	0.6
311.12708	0.5
311.18759	0.4
311.22333	1.7
311.29507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97448	0.4
57.03328	0.3
58.47115	0.3
59.01251	7.7
67.25521	0.4
71.01255	5.7
71.06989	0.9
73.02821	4.3
87.00742	2.0
87.92999	0.3
89.02322	28.9
91.05396	0.4
101.02324	1.0
101.79949	0.3
103.03893	1.8
105.38615	0.3
107.04915	1.3
109.02863	0.4
117.03402	0.8
131.03404	6.8
133.02847	1.4
134.03661	2.8
135.04419	33.1
136.04749	1.2
141.44351	0.3
144.53773	0.4
149.04466	100.0
150.04796	2.7
152.61331	0.4
161.02371	3.9
161.04459	0.7
179.03421	18.3
179.06956	0.7
180.03812	0.8
193.05014	1.0
231.03947	0.4
269.10419	0.8
311.07721	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	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01894	1.0
55.01746	1.4
56.29802	1.0
57.03325	3.3
58.00471	1.8
59.01249	78.9
69.03329	1.5
71.01253	16.5
71.49733	1.6
72.99174	2.0
73.02818	20.9
73.03204	1.7
79.32756	1.0
82.96498	1.0
83.01241	2.5
85.02837	5.8
87.00758	3.7
89.02316	26.4
91.05415	2.6
93.03328	1.7
93.96484	1.5
99.00774	2.6
101.02327	14.7
103.03864	2.9
107.04902	2.7
108.97504	1.1
109.02821	5.7
113.02333	3.5
117.03370	3.0
121.02824	1.8
131.03384	8.1
133.02843	1.2
134.03633	26.9
135.02858	2.9
135.04419	37.4
135.08043	5.2
149.04457	100.0
150.04750	2.7
161.02299	3.0
161.04477	17.9
163.03882	1.2
164.00760	1.2
179.03427	30.6
179.07050	17.3
180.03705	1.8
193.04987	23.5
203.97832	1.1
223.68665	1.0
254.67741	1.1
269.10287	56.2
270.10587	3.4
275.82935	1.1
293.21744	1.1
316.32669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74091	1.0
57.03317	1.5
59.01263	1.6
67.01756	1.6
69.03312	6.5
71.07267	3.3
83.04913	3.7
84.02054	1.1
85.02828	4.9
97.02825	69.0
98.03195	1.8
99.00773	1.8
109.06460	1.5
111.00784	1.4
111.08012	2.4
119.08562	5.1
125.09604	2.7
129.58192	1.1
132.78441	1.2
137.09602	22.9
138.09944	1.4
151.03918	4.9
151.07550	6.7
152.08318	8.2
153.09120	1.3
155.10693	1.3
156.08388	1.2
167.10692	1.6
171.10178	43.4
172.10562	2.0
175.07532	1.1
177.12726	1.4
179.10753	1.3
184.07356	1.4
185.11684	3.2
193.08641	1.1
195.13785	2.8
197.11761	1.6
208.10909	1.3
209.15419	14.7
210.15764	1.6
211.13319	4.9
221.11890	6.7
239.12865	5.2
240.13475	1.5
247.20538	1.3
252.10016	1.4
265.18002	3.1
270.65073	1.0
273.18616	4.7
291.19653	30.4
292.20026	2.4
309.17084	22.8
309.20709	100.0
310.17786	2.2
310.20877	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	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.5
61.10362	0.3
70.84052	0.8
70.84387	0.4
71.01250	4.4
73.02832	3.5
87.00746	2.1
89.02323	25.3
90.02670	0.4
92.87724	0.3
101.02311	0.5
103.03315	0.3
103.03901	2.2
110.53521	0.3
120.91079	0.3
131.03398	6.1
132.23909	0.3
133.02869	0.9
134.03619	1.6
135.04424	25.9
136.04773	1.3
139.33781	0.4
149.04471	100.0
150.04791	2.2
157.22475	0.3
161.02324	2.9
179.03436	17.1
180.03760	0.5
186.06792	1.4
214.06354	2.2
223.94293	0.3
276.28931	0.3
283.13446	0.4
293.21204	0.4
309.20160	0.3
311.07742	1.4
311.12875	0.5
311.22290	1.5
311.25674	0.4
319.03546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15171	1.5
54.97067	1.4
56.54882	1.4
59.01236	3.0
67.83724	1.5
69.03310	3.8
82.30528	1.6
107.08603	1.7
108.05702	1.7
109.06461	1.8
111.08031	3.6
119.08544	21.9
120.28532	1.4
125.09616	7.8
127.11186	4.5
135.08028	3.3
137.09624	32.8
139.11156	2.7
147.78987	1.5
151.07578	2.1
155.10648	5.0
167.10672	3.7
171.10175	100.0
172.10605	3.8
183.10220	5.0
185.11739	26.0
195.10248	3.1
197.11777	7.2
201.11296	7.3
211.13283	2.3
213.11273	10.0
225.15022	3.0
229.19511	4.5
273.18686	10.0
282.34137	1.8
291.19690	34.7
292.20074	3.5
309.17523	3.1
309.20703	68.0
310.21036	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03307	2.3
59.01247	6.2
67.01744	2.7
69.03310	2.2
69.16237	9.5
71.01253	1.7
71.04871	3.2
80.02550	10.6
81.03325	5.3
83.01198	1.2
83.04890	30.2
83.63862	1.1
84.02043	10.2
95.04890	1.6
97.02824	1.8
97.06476	4.8
99.00748	1.4
99.08048	9.1
104.28783	1.1
109.06435	3.8
111.08017	3.1
113.09567	1.9
115.07497	3.7
119.08540	1.5
123.04360	4.1
123.08017	1.4
125.09610	6.6
127.11175	5.0
131.19958	0.9
135.08041	1.7
137.09621	52.0
138.09894	2.8
139.11194	7.8
142.02570	1.1
150.91231	0.9
151.03918	2.5
151.07547	6.6
151.11157	5.4
152.08344	4.8
153.09097	7.5
153.12672	1.8
155.10684	47.8
156.10992	2.6
163.11130	0.9
165.12723	1.5
167.10690	5.8
169.12126	1.1
171.10176	53.9
172.10507	3.0
177.12717	1.5
184.07292	1.0
193.12283	28.4
194.12538	1.1
195.13812	1.7
197.11768	5.6
209.11848	4.4
209.15364	7.6
211.13350	6.4
221.11790	1.2
236.04518	0.9
247.20688	8.2
252.09975	1.3
263.20209	6.4
265.18259	2.3
265.21664	8.7
266.21884	1.1
273.18573	2.6
281.21146	2.2
291.19662	100.0
292.20065	9.5
294.02008	1.0
309.03998	1.6
309.15057	6.9
309.17133	8.3
309.20627	77.9
310.20944	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03323	2.7
59.01243	4.5
69.03310	1.9
71.04903	3.1
77.50130	1.0
80.02573	2.1
81.03329	2.6
83.01243	9.0
83.04900	3.7
93.03348	1.4
95.04887	2.8
97.06445	5.2
111.08028	1.2
123.04406	4.8
123.08054	3.7
125.05971	2.9
125.09601	12.2
127.11227	1.1
135.08035	1.3
137.09595	1.1
139.11188	13.1
141.09064	1.6
155.10587	1.2
163.11206	7.8
165.12762	15.6
167.10739	7.6
168.11458	1.9
171.10149	4.1
177.12796	2.2
181.12280	5.2
181.39209	1.0
183.13847	2.7
185.11610	2.9
191.10742	2.9
193.12247	1.2
193.15884	6.5
195.10460	1.0
197.11807	1.7
207.10390	1.1
209.11771	60.9
210.12122	3.3
211.13298	1.4
215.19075	1.1
247.20691	14.4
248.20988	1.5
263.20279	1.3
265.18716	1.2
265.21509	2.8
273.18567	4.2
281.21268	2.6
291.19678	100.0
292.20074	11.0
309.17377	3.0
309.20676	34.5
310.21030	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.67154	0.9
57.03305	3.6
59.01247	9.2
69.03323	2.4
69.95231	0.8
70.81561	2.6
71.01241	2.0
71.04890	24.5
72.99179	7.1
83.04900	1.7
93.03329	1.3
94.24261	0.8
95.04908	2.5
97.02843	1.7
97.06459	8.1
101.02317	1.1
107.04865	1.5
111.08026	3.8
119.08589	1.4
121.06506	0.8
121.10118	6.8
121.48663	0.8
123.04445	1.4
123.08038	1.5
125.09633	7.0
127.11161	1.2
133.02887	1.6
135.08023	1.3
137.09616	26.7
138.09918	1.3
141.12698	1.2
151.03868	0.9
157.08566	2.5
171.10178	77.1
172.10469	3.6
181.12239	2.2
182.03625	1.1
185.11774	9.9
193.15875	1.2
195.13931	1.6
197.11798	7.0
207.13794	2.7
211.13280	2.4
219.13838	2.1
221.11740	1.0
233.15373	2.9
235.17027	4.2
237.14903	3.5
247.20598	2.1
251.16507	25.2
252.16898	1.7
263.20114	1.1
267.12567	1.3
273.18625	1.6
291.19653	86.3
292.19946	7.3
294.10480	0.9
309.04111	1.1
309.20688	100.0
310.21027	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	309.2072
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.57910	1.7
55.36159	1.7
57.03317	7.0
59.01256	9.6
69.03317	3.3
70.46568	1.7
71.01240	4.7
71.50100	1.8
80.02544	8.0
83.04887	1.8
83.75549	1.8
85.02809	2.2
95.04877	2.9
96.95878	3.8
97.06480	2.0
99.07990	1.9
111.08051	1.7
123.08032	18.0
125.09626	18.3
127.11182	7.7
137.09604	14.4
139.11195	5.5
141.12744	2.6
151.03932	4.9
151.07562	6.7
151.11182	3.6
152.08324	5.1
153.09050	3.1
155.10683	47.6
165.12801	3.7
167.10674	5.7
169.12271	3.5
171.10178	100.0
172.10510	6.1
181.12263	4.4
185.11751	86.1
186.12119	3.7
193.15755	2.0
194.84590	1.9
197.11778	5.4
209.11731	5.3
209.15390	8.2
212.10477	4.2
229.72644	2.0
247.20650	6.8
263.20102	12.2
265.18292	2.0
265.21622	4.9
273.18573	1.9
279.03287	2.4
281.21100	11.3
291.19650	38.8
292.20065	3.1
309.04025	3.5
309.17102	18.9
309.20734	43.1
310.20895	4.1
313.10541	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03299	4.3
59.01254	9.6
69.03326	2.1
71.04896	17.2
72.08385	1.2
72.99148	1.8
81.92928	1.2
97.06461	5.8
98.97867	1.4
99.38940	1.5
107.04898	3.8
111.08028	2.2
112.35745	1.2
121.10127	10.2
123.08003	1.8
123.57053	1.4
125.09618	9.7
133.06511	1.5
135.08127	1.8
137.09613	21.4
171.10181	44.0
172.10550	2.0
183.10236	1.3
185.11774	16.6
194.08490	1.2
195.13736	1.5
197.11772	6.7
207.13805	2.1
209.11771	2.7
211.13274	1.4
219.13840	1.8
221.15627	1.6
229.13242	1.5
237.14851	2.8
239.16379	1.5
246.01689	1.5
247.20576	1.7
251.16499	39.9
252.16905	3.1
273.18573	2.2
276.49997	1.4
291.19662	100.0
292.20041	8.3
309.17456	3.8
309.20691	85.4
310.07211	1.5
310.17679	1.7
310.20917	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
59.01226	3.7
69.03323	4.1
71.04894	2.1
71.41788	1.9
71.42095	2.3
111.08007	1.9
119.08547	16.6
125.09591	5.9
127.11181	5.1
135.08047	2.2
137.09619	32.9
139.11256	2.1
152.08264	1.6
155.10689	4.7
157.12283	1.9
167.10721	3.8
171.10184	100.0
172.10486	5.0
183.10132	7.2
185.11768	23.9
197.11827	8.6
199.13242	1.7
201.11247	8.6
209.15421	2.9
213.11220	8.7
229.19585	3.7
273.18512	7.7
274.18774	1.9
291.19659	35.1
292.19971	3.4
309.17307	3.4
309.20673	40.0
310.20889	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27367	1.0
58.00471	1.6
59.01247	1.6
64.02798	0.9
69.03320	1.4
69.95984	5.3
91.65584	1.0
92.57098	1.0
92.71281	0.9
97.59856	1.0
98.19781	1.4
109.06444	1.9
111.08045	38.0
111.08810	2.2
119.08567	1.6
127.07526	2.1
149.09639	1.0
153.12750	1.5
169.12268	7.0
171.10167	1.6
181.12260	2.1
183.13834	1.7
197.11769	100.0
198.12152	6.0
199.13335	3.8
209.15356	3.0
211.13385	9.1
225.14946	1.1
227.12866	4.0
251.16379	1.4
260.26724	1.0
263.20132	5.5
265.18051	3.1
273.18521	1.3
289.75842	1.0
291.19681	19.3
292.20010	2.2
309.17371	2.2
309.20694	36.4
310.21091	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03331	0.8
59.01267	5.9
63.83805	0.9
67.01764	1.9
69.27697	8.5
74.76151	0.8
83.04885	1.5
95.04892	1.2
97.06450	2.6
97.57101	0.9
111.08027	7.0
121.10109	10.0
123.07941	1.0
125.09609	7.4
134.68503	0.9
137.09622	3.2
158.08266	0.9
158.53633	0.9
169.12172	1.3
171.10168	7.1
181.12247	1.2
185.11746	11.1
197.10005	1.3
197.11766	19.4
198.12054	1.1
200.42897	0.9
211.13341	61.0
212.13640	4.1
227.12836	2.0
245.35875	1.0
263.20145	1.2
273.18509	2.0
291.19659	100.0
292.20029	9.3
301.63217	0.9
309.17270	1.6
309.20734	18.2
309.51346	1.0
310.21219	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32521	0.9
58.00453	1.4
59.20953	0.9
69.03342	1.3
70.51832	3.6
87.21008	1.0
109.06449	1.2
110.31516	0.9
111.08037	30.8
112.92723	0.9
127.07520	2.1
137.09625	1.0
149.87340	0.9
151.11186	1.5
153.12718	1.2
169.12209	5.4
171.10190	2.6
181.12231	1.9
183.13921	1.3
193.12296	1.1
197.11758	100.0
198.12077	5.5
199.13322	4.5
211.13319	10.1
217.75357	0.9
227.12881	2.9
231.63518	1.1
247.20589	1.3
263.20190	7.3
265.18091	3.3
273.94263	1.2
291.19666	18.3
292.19864	1.8
309.20694	38.4
310.20938	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.66114	0.3
51.44627	0.4
52.84242	0.3
58.30101	0.4
59.01234	0.9
62.50534	0.3
70.61530	0.5
70.61888	0.9
71.01241	1.2
72.05311	0.4
85.02795	0.4
101.02328	0.4
101.88228	0.4
117.10501	0.4
135.04439	0.5
161.04416	0.5
179.06595	0.3
180.51102	0.4
307.22787	100.0
308.23148	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	309.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92602	3.6
58.46857	2.8
59.01250	100.0
69.17268	31.8
69.17668	6.2
71.01257	7.6
71.04889	5.3
73.02852	3.8
75.03924	3.6
85.02812	7.5
91.01806	3.8
96.95933	4.9
97.02836	5.5
98.20513	7.4
101.02342	3.3
113.09620	5.2
151.00261	5.8
153.51714	3.2
165.12727	5.6
171.10246	5.1
195.10106	4.2
197.11823	4.9
211.13402	5.6
227.12700	3.9
247.20653	4.1
288.30392	3.8
291.19693	61.5
309.11655	3.7
309.17407	7.3
309.20679	92.3
310.21017	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78141	1.2
55.01765	2.1
57.03319	5.0
59.01247	19.6
65.03482	2.8
65.03835	58.4
69.03316	1.5
71.01278	3.3
71.04493	1.9
71.04892	38.5
71.05483	1.5
73.02817	1.9
83.04909	3.6
97.06469	61.6
109.06473	1.4
113.02414	1.6
119.08563	11.0
121.06485	95.6
122.06826	1.5
123.08079	2.8
125.09615	35.6
135.08072	1.5
137.09607	4.8
141.12764	2.0
161.04440	1.6
167.14400	1.5
185.11758	82.4
186.12071	2.2
208.26378	1.3
209.11760	33.9
210.12146	1.8
211.13350	31.1
212.13611	1.8
220.42241	1.4
235.13354	100.0
236.13547	6.6
236.64694	1.4
289.18079	19.2
307.10242	4.4
307.19116	23.1
308.19666	2.2
326.38370	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	6.3
59.01246	11.9
63.96839	1.5
67.01754	2.4
69.03339	3.0
70.36186	3.7
70.36572	3.4
71.01251	3.4
71.04870	1.8
72.28267	1.7
78.68641	1.8
80.02548	2.6
81.03325	7.0
83.01270	3.6
83.04892	3.3
85.02811	2.1
95.01292	2.0
95.04903	2.9
97.02824	7.2
97.06474	8.7
101.00444	1.7
109.06449	3.3
121.06464	4.2
123.04426	9.8
123.05190	1.6
123.08073	4.7
125.09612	14.3
128.86414	1.7
133.64047	1.7
135.08089	3.1
137.09607	11.8
141.12749	3.2
145.43747	1.7
149.05981	2.5
151.11212	3.1
155.10817	1.5
161.04433	1.8
163.11198	17.5
165.12730	2.5
167.10698	2.1
171.10173	4.3
177.12794	1.9
179.10635	2.1
181.12228	4.7
185.11769	18.3
190.00716	1.5
191.10690	2.8
191.14334	17.9
192.14818	1.8
207.10184	9.4
209.11757	27.5
217.15909	2.0
219.13895	1.8
225.11278	11.2
245.19067	40.1
246.19405	2.7
263.20047	1.8
271.17001	4.1
289.18091	100.0
290.18433	7.9
307.10327	1.9
307.15689	3.6
307.19147	63.2
307.22668	3.5
308.19504	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03310	9.7
59.01255	14.1
59.94521	2.6
68.83571	2.6
69.03326	3.2
70.80543	7.2
71.01250	14.7
75.46130	2.7
81.03318	2.5
83.04891	5.0
93.03384	3.4
97.06465	12.6
109.06499	4.0
109.58387	2.7
111.08037	9.7
121.06522	3.0
123.04385	3.2
125.09599	6.0
151.11188	21.5
153.09146	3.4
153.12668	3.4
155.10654	15.1
161.52739	2.6
163.11205	3.4
165.12750	20.5
167.10686	6.5
169.12256	6.0
177.12761	2.9
179.10687	7.8
181.12274	23.6
191.10687	11.6
191.14281	8.6
197.11749	4.1
197.85246	2.6
205.12245	3.7
209.11784	44.3
211.13300	10.2
221.03575	2.6
239.09088	4.7
239.88480	2.6
245.19083	40.1
246.19479	4.9
263.20154	10.5
271.16882	4.1
279.19583	2.8
289.18112	51.9
307.10333	4.7
307.19119	100.0
308.19470	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.8
59.01247	19.7
69.03316	5.6
69.19857	20.4
71.01260	18.5
71.04899	3.6
73.02810	2.9
80.02553	2.4
81.03349	2.3
83.01250	2.5
83.04895	5.2
83.31075	1.8
85.02810	4.2
93.03319	2.4
94.51451	1.7
95.04887	6.6
97.06473	21.0
101.02332	3.1
103.03884	2.1
106.04115	4.5
107.08570	4.3
109.06441	6.1
111.08044	11.2
121.06476	14.3
123.04409	1.8
123.08034	4.9
125.09625	13.5
127.11149	3.8
134.03677	1.7
135.04388	6.0
135.08037	7.3
137.02371	2.0
137.09624	4.5
149.09630	6.7
151.11192	24.6
153.09134	11.6
153.12737	3.1
153.93646	1.7
155.10680	14.9
160.01624	2.1
161.04420	4.7
163.11162	8.9
165.09087	1.8
165.12761	25.0
167.10654	9.2
169.12215	3.5
171.10172	27.3
177.12801	3.5
179.03380	3.5
179.10709	9.9
181.12271	27.8
185.11771	42.4
191.10654	11.3
191.14349	9.0
195.10231	2.7
197.11717	3.9
205.12270	3.5
209.11774	59.9
210.12094	5.1
211.13329	10.2
212.10486	3.5
229.16013	2.1
239.09203	2.5
245.19066	40.4
246.19229	3.0
261.18521	7.6
263.20135	12.0
271.17111	4.9
279.19687	8.8
289.18082	53.0
290.18445	4.6
307.10303	5.6
307.19122	100.0
308.19571	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13914	1.0
57.03339	6.4
59.01252	5.8
67.01749	1.4
69.03304	2.7
69.19859	2.3
69.20278	8.5
69.59873	1.1
71.01277	1.3
72.98154	1.2
79.07825	1.0
79.68483	1.1
80.02546	3.2
81.03329	7.4
83.01260	7.0
83.04893	3.9
93.03339	1.1
93.50945	0.9
95.04912	5.2
97.02831	6.8
97.06467	9.2
99.33773	1.1
106.04105	1.7
109.02840	1.4
109.06439	2.3
110.03579	2.2
111.21182	1.3
119.08540	1.4
121.06481	3.9
123.04409	11.5
123.08032	4.0
125.05976	2.5
125.09604	18.7
127.07536	1.3
135.04390	2.6
135.08038	4.7
137.05956	2.6
137.09610	13.8
139.11166	1.4
141.12727	4.5
142.02588	1.7
147.11749	1.2
149.06007	3.4
149.09531	1.2
151.11197	2.1
161.09598	2.1
163.07550	2.2
163.11192	15.9
164.08398	1.2
165.09071	1.3
165.12740	3.5
167.10699	2.1
171.10162	2.8
179.03426	2.3
179.10661	2.4
181.12251	3.9
185.11755	23.7
186.12144	1.1
189.12912	1.2
191.10687	3.4
191.14342	19.4
203.14409	1.5
207.10211	11.4
208.10590	1.8
209.11780	33.9
210.19261	1.1
211.13535	1.3
215.14305	1.2
217.15926	3.7
225.11284	12.6
226.11967	1.4
243.17473	1.6
245.19067	44.6
246.19403	4.6
261.18637	1.1
263.20102	2.0
271.17020	4.4
279.19690	1.9
286.19788	1.4
289.18094	100.0
290.18423	8.6
307.19153	52.8
308.19431	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58935	1.2
55.01738	3.2
57.03308	5.6
57.88746	1.1
59.01243	9.9
63.15465	1.3
65.03834	62.9
69.03309	2.0
70.79320	2.7
71.01250	4.3
71.04890	38.3
73.02807	1.6
78.51471	1.3
83.04895	3.5
85.02794	1.5
89.02304	1.5
90.47437	1.1
93.03312	5.4
95.04900	1.7
96.42256	1.3
97.06467	72.5
98.06834	2.4
101.02299	2.3
103.03909	1.3
106.04202	1.5
117.06969	5.2
119.04868	1.4
119.08551	21.5
121.06479	100.0
122.06838	3.4
123.08003	3.5
125.09612	42.1
126.09914	1.9
133.06511	2.1
135.04419	2.5
135.08051	23.6
137.09595	4.7
161.04401	1.6
163.06038	1.2
171.10172	20.7
173.13330	2.0
179.03415	1.7
185.11754	83.4
185.95726	1.4
186.12160	2.2
209.11769	32.6
211.13332	34.6
212.13673	2.7
233.15347	1.6
235.13351	94.1
236.13681	5.1
245.19023	1.6
249.14920	1.9
255.05542	1.2
271.17261	2.0
279.19629	1.8
289.18073	32.8
290.18527	1.7
307.10513	2.1
307.19122	30.7
308.19629	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.7
59.01253	4.7
62.97705	0.4
67.68123	0.3
69.03307	0.8
69.78107	0.7
69.78506	1.2
71.01224	1.3
71.04899	5.2
73.02782	0.7
80.02528	1.2
81.03333	1.8
83.01260	0.4
83.04893	2.5
85.02791	0.4
95.04865	1.7
97.02802	0.9
97.06444	0.7
98.03609	1.7
101.02295	0.4
106.04082	1.0
107.04927	0.6
109.02793	0.6
109.06480	14.2
111.04410	7.1
111.08005	1.7
112.05122	1.1
121.06508	0.8
123.04390	0.7
123.08020	1.8
127.07549	2.8
133.06503	0.4
135.04414	0.5
135.08009	0.8
135.11687	0.4
137.05978	0.6
137.09564	1.0
143.10704	1.9
145.06491	2.9
147.07970	0.4
149.05945	0.9
149.09608	1.4
151.11104	0.9
161.04440	0.8
161.09583	0.6
163.11163	0.8
165.12752	0.4
167.10713	2.0
177.12799	0.6
179.03493	0.6
179.10657	1.3
181.12270	0.7
183.13802	0.4
191.14355	0.8
195.13815	3.5
205.15900	0.9
207.17448	0.7
215.14326	0.6
233.15450	0.5
235.13411	1.8
243.17592	0.6
245.11615	0.4
245.19113	5.5
249.14896	0.6
251.16519	1.3
257.10065	0.4
261.18558	1.4
271.16992	1.7
273.14813	0.4
287.16556	2.2
288.16888	0.4
289.18103	100.0
290.18491	6.8
307.10452	0.7
307.19165	16.1
308.19434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32302	0.2
57.03349	0.2
59.01253	1.2
59.96604	0.3
60.97382	0.3
62.28438	0.2
63.71519	0.2
71.01255	0.7
71.50114	0.2
73.22845	0.2
74.98948	5.4
75.96083	0.2
85.02836	0.4
91.02106	2.8
91.70663	0.2
93.00017	3.0
103.03926	0.2
103.77084	0.2
135.07999	0.2
138.03040	0.2
149.00880	2.9
159.08380	7.3
160.08606	0.3
161.04482	0.4
161.06325	2.1
170.80733	0.2
177.58473	0.2
192.98114	0.9
206.99617	1.2
209.01213	2.7
210.01332	0.3
217.07144	1.0
223.02792	52.1
224.02861	4.0
225.00758	0.6
241.03839	1.1
275.06100	0.6
289.07556	2.3
289.17981	0.3
291.09103	100.0
292.09235	10.8
307.12601	2.5
307.19324	0.5
308.12393	0.3
309.10242	1.6
316.68729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.8
59.00957	6.2
59.01245	100.0
66.48035	3.2
71.00336	3.7
71.01254	28.3
71.04883	5.4
71.50721	5.0
73.02820	7.3
85.02824	13.1
89.02308	12.5
97.02821	5.7
101.02316	8.6
102.05482	10.1
103.03905	10.9
109.02920	4.9
128.03412	10.7
135.04410	10.0
138.31657	4.2
161.04471	10.7
163.06053	3.9
179.03436	6.7
211.13666	4.5
277.03366	5.1
282.92960	4.7
289.17972	9.0
291.03571	4.1
307.10471	16.6
307.15625	4.6
307.19055	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.7
69.43293	1.8
71.01245	1.0
74.98946	5.5
85.02843	0.4
89.02385	0.3
91.02084	2.5
93.00010	3.3
96.88761	0.3
101.02358	0.6
103.03878	0.4
108.77428	0.3
135.04436	0.3
149.00865	2.4
159.08386	6.4
161.04468	0.4
161.06335	2.0
162.98120	0.3
188.32646	0.3
192.98065	0.6
193.05029	0.5
206.99638	1.2
207.71194	0.3
209.01166	1.6
217.07111	0.8
223.02780	49.0
224.02844	3.7
225.00531	0.4
236.91653	0.3
241.03889	1.5
275.06064	0.5
289.07559	1.7
291.09091	100.0
292.09207	11.0
307.12561	2.3
307.19165	0.4
309.10144	1.7
310.10086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1189
Annotation	3-Oxa-achillicin
Peak:m/z	Relative Intensity
51.05701	0.6
57.03326	46.5
59.01254	13.6
60.99184	3.7
65.03821	1.2
69.03328	4.3
69.21531	7.2
71.04896	1.6
79.05404	2.3
81.03336	1.7
83.04910	5.2
85.02831	5.1
91.05399	2.9
93.03327	2.7
95.01266	1.2
95.04894	1.1
97.02856	0.8
97.06474	4.6
97.22197	0.7
98.03609	1.2
99.04431	1.7
105.03345	1.2
105.06993	12.2
106.04144	1.8
107.04912	5.9
108.96201	0.7
109.02842	2.2
109.06480	1.5
111.00743	1.4
115.05384	0.9
119.04916	1.0
119.08578	0.9
121.02828	3.2
121.06472	1.4
121.10131	1.6
123.04355	0.9
124.01540	1.4
129.07040	0.8
131.04941	1.0
131.08566	9.1
132.08789	1.0
133.02866	12.6
133.06488	3.1
133.10104	2.3
134.03638	73.0
135.04445	32.2
135.08046	1.6
137.02362	11.5
138.02795	0.7
139.03944	3.5
143.08556	0.9
145.06519	1.3
147.08057	6.7
149.06020	0.8
149.09622	4.4
150.03145	2.3
151.03900	1.4
157.06522	0.9
157.10144	8.3
159.08069	10.1
159.11670	2.3
161.02309	1.7
161.09628	2.1
162.03111	2.0
173.09599	1.2
173.13313	1.4
175.07555	3.2
175.11209	6.3
175.69460	0.8
177.01855	18.3
177.05457	1.0
177.09132	2.9
177.12804	1.4
178.02638	87.9
179.03392	13.7
183.08064	2.4
183.11714	1.4
185.09633	3.0
185.15422	0.7
187.07556	2.5
191.14407	1.6
199.11136	1.0
201.12799	7.3
203.10683	2.2
217.12271	1.7
219.10223	2.2
219.13802	3.7
227.10829	0.9
231.10216	2.4
235.13348	5.5
245.11806	9.1
247.09738	66.2
248.10098	3.3
249.03745	1.4
263.12848	8.5
264.25092	0.7
265.10837	1.2
275.09305	3.5
277.03421	1.3
307.11871	100.0
308.09073	1.3
308.12186	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	307.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
59.01238	1.1
60.01241	0.6
60.27485	0.3
61.00889	14.0
66.27370	0.2
69.03336	0.8
69.57693	1.7
69.58094	0.6
71.01249	0.9
73.02805	0.8
85.02820	1.4
86.02540	0.3
87.00756	1.0
87.04387	1.6
87.66646	0.3
89.02316	2.9
94.43163	0.3
99.02473	1.4
101.02323	1.4
113.00388	0.4
113.04026	2.3
114.02356	0.4
115.01969	15.7
117.05444	0.6
129.03535	2.1
131.03380	0.7
131.05054	0.4
144.04413	0.3
149.04465	2.8
156.03391	0.4
157.03041	34.1
158.03372	0.7
175.04106	24.2
176.04480	0.4
245.08331	0.7
247.06235	1.0
267.85184	0.3
307.08414	100.0
308.08810	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	307.1185
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
50.96852	0.1
59.01236	0.3
59.94822	0.1
71.01258	0.2
77.03844	0.1
80.04210	0.1
88.17693	0.1
95.04911	0.3
97.06464	6.3
98.06790	0.1
98.20516	0.2
105.03374	0.7
106.04124	1.0
121.02853	0.2
133.02847	3.6
134.03627	100.0
135.04469	9.6
136.04774	0.3
137.02348	1.1
139.03906	0.4
146.26907	0.1
172.05043	0.1
177.00290	0.2
177.01855	5.9
178.02626	18.0
179.03365	2.0
180.52722	0.1
184.49461	0.1
231.10217	2.8
232.10658	0.1
275.09235	3.8
276.09586	0.3
277.68008	0.1
287.55890	0.1
307.11856	25.3
308.12207	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01764	1.2
57.03320	2.2
59.01242	4.7
65.03837	2.8
69.03313	1.5
70.26028	2.7
71.01251	1.0
71.04894	7.6
76.25424	0.7
79.05400	11.0
79.96692	0.7
83.04908	1.0
85.70404	0.8
86.87328	0.6
93.03367	1.6
94.04160	0.8
95.04923	2.2
97.06461	13.3
98.06848	0.6
105.03335	0.8
106.04122	8.7
107.04916	3.6
109.06481	2.5
117.06944	1.6
119.04888	1.1
120.05699	6.2
121.06492	3.9
123.08060	7.2
125.09605	17.4
126.09963	1.2
133.06453	1.3
135.08052	100.0
136.08389	4.7
137.09590	2.2
144.04268	0.7
151.11162	2.2
159.08125	0.9
161.05980	0.9
161.09650	1.5
162.06702	0.8
163.11200	1.9
176.08298	0.8
177.12727	1.1
183.10190	1.2
185.11728	2.1
189.12787	2.2
193.80132	0.8
202.35040	0.7
205.15961	5.1
207.10219	2.1
209.11752	2.0
221.11801	1.4
223.13432	0.8
231.13821	1.3
233.11746	1.5
235.13422	1.2
242.68774	0.7
243.17467	1.0
249.14925	47.5
250.15289	2.9
260.49136	0.7
263.16412	2.2
269.15359	1.9
277.18079	1.4
287.16556	8.7
288.16888	1.1
305.14316	2.6
305.17557	69.1
306.17899	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	306.0772
Annotation	Peruvianine
Peak:m/z	Relative Intensity
59.88470	0.5
66.87112	0.4
70.82890	0.5
70.99692	0.8
152.05739	0.4
153.88022	0.4
187.35992	0.4
220.03993	5.7
248.03497	93.3
249.03822	6.3
262.05060	1.6
276.03003	100.0
277.03342	7.9
290.04565	1.8
291.05359	62.8
292.05750	4.7
306.07715	41.7
306.17847	1.0
307.07990	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03318	1.1
58.02837	1.4
59.01252	5.7
62.83233	0.7
69.03328	1.1
70.78625	1.8
70.78952	1.0
71.04893	44.2
71.20222	0.7
71.76057	0.7
72.05225	1.4
80.02526	1.0
81.03328	4.6
83.04874	1.3
84.75661	0.7
85.02837	1.4
92.13313	0.8
93.03328	2.2
95.01259	1.1
95.04902	21.6
100.27972	0.7
106.04121	2.2
107.04883	2.1
109.02828	1.5
109.06477	18.4
111.04401	2.9
119.04906	1.6
121.06455	6.6
121.10079	1.1
122.03665	1.2
123.08007	1.5
127.07548	1.8
135.08099	3.7
135.09808	0.6
136.05254	1.0
139.07547	0.9
147.04442	2.6
147.08070	3.7
149.06007	1.5
149.09595	1.6
150.06732	2.4
151.07585	0.8
153.09145	1.8
161.05931	2.1
161.09625	2.2
164.08369	0.8
165.09099	14.0
168.13901	1.0
169.14154	0.8
173.09766	1.3
175.07552	1.1
179.06615	0.8
179.14357	1.3
189.12773	16.9
201.12755	0.8
205.15904	8.9
211.13150	0.8
231.13797	2.2
233.11792	8.1
243.17499	11.3
247.13342	1.2
249.14963	14.2
250.15404	1.2
261.18539	1.9
263.16486	1.4
269.15479	3.4
287.16519	80.5
288.16898	8.4
289.14728	1.0
305.17584	100.0
306.17911	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
50.26843	0.6
51.21708	0.7
51.63433	0.7
57.03318	4.1
59.01244	6.0
64.64009	0.7
69.03321	1.1
71.01251	1.5
71.04890	38.4
71.29898	1.3
71.30236	0.9
79.27612	0.7
80.02563	1.2
81.03336	3.1
83.04901	3.3
93.03342	2.3
95.04897	18.3
97.02850	0.9
97.06481	1.7
106.04168	1.7
107.04890	3.5
108.06578	0.7
108.15103	0.7
109.02817	2.2
109.06472	15.9
110.03643	0.8
111.04391	1.7
113.02309	1.0
120.05736	1.3
121.06483	5.2
121.10086	0.9
122.03630	2.8
123.04411	0.7
123.08021	1.6
127.07544	1.7
133.06497	1.4
135.04376	1.0
135.08049	7.0
142.44328	0.7
147.04424	2.0
147.08084	4.2
149.05995	2.1
149.09569	1.5
150.06787	2.1
151.03940	0.9
153.09166	1.1
161.06033	2.9
161.09653	1.3
164.08334	1.3
165.09134	11.9
165.78583	0.7
175.07616	1.0
175.11317	0.9
185.11823	1.7
189.12782	13.1
190.13159	1.3
201.12706	1.4
205.15926	9.2
206.16238	1.0
231.13843	2.0
233.11781	7.1
243.17513	9.5
245.15341	0.9
249.14926	13.4
261.18591	2.7
263.16501	2.0
269.15408	2.2
287.16516	78.2
288.16867	6.7
289.14471	1.1
305.17593	100.0
306.17902	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41249	0.2
53.89801	0.2
57.03328	3.0
59.01243	0.7
65.28970	0.2
69.03335	0.3
69.13833	2.6
71.01244	0.8
73.02822	0.9
81.03330	0.4
82.69957	0.2
82.87920	0.2
83.04897	8.2
84.05214	0.2
85.02805	0.2
86.72064	0.2
89.02317	0.4
101.02295	0.3
106.57098	0.2
109.06470	2.6
111.08041	69.4
112.08395	2.2
112.09139	0.4
129.09117	4.0
131.03389	0.6
149.04512	0.4
155.07028	0.6
173.08110	100.0
174.08463	3.5
240.33195	0.2
305.06247	0.4
305.12442	6.8
306.12766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84902	0.4
57.03324	3.3
59.01249	0.8
61.66756	0.3
61.77239	0.3
62.82619	0.4
63.39895	0.4
63.77124	0.3
69.03330	0.4
71.01244	0.6
73.02811	0.5
79.80687	0.3
81.03345	0.7
83.04899	8.0
89.02288	0.6
99.54932	0.3
109.06460	2.5
111.08037	76.3
111.49110	0.5
112.08365	2.1
129.09082	4.1
138.05492	1.8
155.07059	0.7
173.08112	100.0
174.08434	4.1
213.40880	0.4
305.12360	5.1
306.12604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1395
Annotation	Naematolon
Peak:m/z	Relative Intensity
52.59552	1.5
57.03329	17.1
58.02850	8.9
59.01248	100.0
59.17341	1.7
61.98695	2.5
69.03320	3.9
71.01265	2.8
71.04906	2.3
71.49815	2.9
71.50217	1.8
81.03314	5.1
83.01281	1.8
83.04894	10.1
84.67496	1.8
85.02826	5.3
93.03338	6.0
95.04915	3.2
97.02820	2.2
97.06456	3.7
99.04359	1.6
102.74460	1.8
107.04891	8.2
108.02057	2.3
121.06472	3.8
123.04362	2.6
123.08028	12.7
133.06467	4.1
135.04430	8.5
135.08084	3.5
136.05186	3.0
137.02341	5.2
147.08044	3.6
149.09619	3.7
151.03876	3.6
152.95578	1.9
168.13873	8.5
169.14218	8.4
173.49391	1.8
177.05461	3.3
189.12776	1.7
191.10634	2.0
201.12738	5.1
203.10686	2.3
213.13220	2.0
219.13765	1.9
227.55867	1.6
243.13986	2.9
245.11838	6.7
261.14917	2.2
263.12836	51.5
264.13116	4.3
271.75253	1.7
287.16486	2.7
305.08273	5.5
305.14157	25.6
305.17566	7.9
305.20865	13.8
305.45721	1.6
306.08188	1.8
306.13950	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	305.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01239	1.0
69.24657	2.7
71.01254	0.9
71.04900	0.4
73.02815	1.3
97.06476	0.9
98.19788	0.6
109.82066	0.3
111.61636	0.3
127.10294	0.6
127.11183	8.4
128.11499	0.5
130.71619	0.4
131.03397	1.2
136.03946	0.6
137.09613	0.5
155.10677	1.0
171.10173	2.0
173.11749	100.0
174.12117	4.1
180.02995	0.4
180.24435	0.3
205.45158	0.3
305.16217	2.2
313.31757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	45.4
58.91500	0.3
59.03196	0.6
67.22249	0.3
70.26458	0.9
107.38325	0.3
168.13864	100.0
169.14221	4.3
176.71497	0.3
180.05208	0.3
184.58954	0.3
209.29402	0.3
212.12892	3.9
229.98106	0.3
248.26884	0.3
264.54959	0.3
289.77682	0.3
304.19247	0.6
328.50360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30474	0.7
52.02867	0.6
59.01242	4.1
65.63925	0.6
71.01259	2.0
73.02816	2.0
73.32685	0.7
89.02328	1.4
101.02349	0.7
109.06505	5.2
119.04913	0.9
127.07540	100.0
128.07880	3.0
131.03389	1.1
141.09161	0.7
149.04457	3.6
171.06551	44.7
171.10170	12.3
172.06931	1.7
232.43080	0.7
303.10910	4.7
303.14096	1.1
303.18076	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81596	0.4
55.01754	2.3
57.03312	1.7
58.00469	1.7
59.01250	58.6
69.03320	0.8
71.01253	21.0
71.50485	0.7
72.01580	0.5
72.99184	2.4
73.02819	29.0
82.04618	0.4
83.01265	5.9
85.02822	10.2
87.00755	3.5
87.76110	0.4
89.02314	5.7
89.96151	0.4
95.01268	0.9
97.02831	1.4
99.00777	2.0
99.04417	0.5
99.08056	3.2
99.32095	0.4
101.02322	28.9
102.02672	0.6
103.73751	0.4
112.01545	0.6
113.02345	3.5
116.34485	0.5
119.03387	6.0
120.33173	0.4
124.01592	0.4
125.02343	1.0
137.99715	0.4
143.03400	0.9
161.04475	20.0
162.04765	0.7
165.01872	0.4
171.10141	1.3
201.11255	0.9
243.12280	0.7
261.13416	100.0
262.13742	6.5
303.08951	0.6
303.21747	6.5
304.22031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
56.75658	0.3
57.03315	1.2
58.00463	1.7
59.01249	49.1
60.01597	0.5
64.82384	0.4
69.03333	0.8
69.17268	0.4
71.01254	18.6
71.12657	0.4
71.50767	0.6
72.99179	1.9
73.02818	25.3
76.16871	0.4
83.01257	5.0
85.02822	9.1
87.00753	2.9
87.52012	0.4
89.02319	5.4
95.01276	0.4
97.02841	1.1
99.00735	1.7
99.08016	3.6
101.02323	26.0
113.02329	3.1
117.01816	0.6
119.03378	6.7
124.01567	0.4
125.02319	0.5
128.03432	1.1
131.03450	0.6
135.04454	0.5
143.03458	0.5
161.04468	20.1
162.04840	0.5
165.01814	0.6
171.10202	1.2
179.05557	0.5
261.13416	100.0
262.13779	6.6
285.20905	0.5
303.14236	0.4
303.21695	5.3
304.22043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
50.99861	0.4
57.03288	0.4
63.02266	10.0
65.00191	15.9
69.51323	3.7
71.02378	0.4
73.35863	0.5
73.36240	0.5
80.02552	1.7
83.01257	9.1
87.23681	0.4
93.03338	2.4
95.01261	0.6
104.16098	0.4
107.01273	27.4
108.01401	1.0
108.02065	14.2
108.99184	0.8
117.03271	0.5
121.02837	0.9
123.00741	1.2
123.04392	4.5
124.01553	1.5
125.02302	2.0
134.03630	36.9
135.04346	1.4
136.01569	6.6
149.02286	0.6
149.05981	23.1
150.06296	1.0
151.00275	61.0
152.01018	2.5
161.02339	1.2
163.00259	0.8
164.01073	10.8
165.01836	2.8
165.05313	0.5
169.01347	3.3
174.03108	1.4
175.03850	0.7
177.01852	7.1
178.99786	1.8
187.04034	0.6
196.00058	7.8
199.03999	1.4
200.04735	0.6
201.01849	1.5
206.99295	1.5
208.00043	1.0
215.03464	1.3
229.05115	0.7
242.05873	0.9
245.04562	3.7
248.75064	0.5
257.04449	0.7
258.05096	0.7
273.04089	4.3
285.03973	1.4
286.04803	2.5
301.07150	100.0
302.07513	7.9
321.01535	0.6
322.37711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.14284	0.5
60.97351	0.9
71.26659	0.4
71.26995	1.0
109.46105	0.4
134.99292	5.8
136.97169	2.1
143.05273	0.8
153.34596	0.5
159.08417	1.2
161.06288	6.0
161.19164	0.5
164.34795	0.4
185.45081	0.4
201.04001	0.7
203.05629	3.8
205.03561	0.8
215.05664	1.0
217.07161	74.3
218.07274	4.6
218.17114	0.6
218.82054	0.5
220.07005	0.4
239.94019	0.5
261.06183	1.3
285.13486	31.9
286.13647	3.6
301.16599	100.0
302.16776	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	303.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.9
67.24455	0.2
71.01244	1.3
71.20248	0.2
71.20576	0.3
73.02829	0.8
89.02312	1.2
93.03339	0.3
103.03923	0.3
107.04944	0.2
109.06469	5.1
111.08051	0.3
113.60515	0.2
127.07540	100.0
128.07866	3.4
131.03398	0.8
135.04413	0.4
149.04462	3.8
152.78078	0.2
171.06544	39.0
171.10080	1.9
172.06874	1.5
303.10938	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	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01256	4.6
71.01257	1.5
71.20265	1.8
73.02807	1.0
79.95621	1.0
83.55083	0.7
87.04411	1.1
89.02296	0.8
91.65408	0.8
97.23224	0.8
109.06495	4.2
110.70289	0.6
115.96665	0.8
127.07538	100.0
128.07861	3.9
149.04451	4.4
155.03317	0.9
170.52911	0.8
171.06535	49.5
171.10182	5.0
172.06876	1.5
202.94958	0.8
236.39200	0.9
252.46365	0.8
292.84323	0.8
298.49600	0.8
303.11072	3.7
303.18207	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	299.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85863	0.3
59.01246	0.4
59.45061	0.4
63.02269	4.7
63.87475	0.3
65.00196	3.0
65.87083	0.3
70.52584	1.2
83.01257	1.5
89.00213	0.7
91.01745	0.5
95.01270	0.4
97.02806	0.4
107.01274	3.9
109.02158	0.5
109.02835	4.8
115.05412	1.0
117.03330	1.0
119.01244	0.6
120.88598	0.3
131.04895	0.6
132.22150	0.3
133.02846	8.7
134.03148	0.4
135.00768	1.4
139.03880	0.6
143.04939	4.0
144.05203	0.4
145.02840	3.6
147.00748	1.0
147.04382	1.0
149.02361	0.4
151.00291	2.4
155.04965	1.7
157.02890	2.3
159.04427	1.3
161.02374	0.6
161.05962	0.6
163.03920	0.6
163.11137	0.5
165.01874	0.4
169.01427	0.6
169.02896	0.6
170.03575	0.7
171.04427	7.5
172.01440	0.4
173.02347	2.6
175.03938	3.9
181.12311	0.5
182.03664	0.9
183.04446	1.0
185.02376	0.6
187.03960	3.6
189.05531	0.6
197.02411	1.7
198.03171	2.5
199.03938	14.6
200.04251	1.0
201.01852	5.0
203.03473	0.8
207.10223	3.6
213.01897	0.7
214.02632	1.0
215.03438	5.6
216.03749	0.4
225.01859	0.6
225.11253	2.9
226.02675	3.5
227.03442	7.5
228.03777	0.5
229.01389	0.4
241.01402	0.4
242.02173	2.7
243.02927	7.1
244.03313	0.5
255.03041	1.9
256.03424	1.0
271.02472	78.2
272.02841	5.4
282.01642	1.0
284.02872	1.1
299.01959	100.0
299.16736	2.1
300.02365	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37088	0.8
59.01244	3.7
61.21181	0.7
63.08811	0.6
65.00189	2.0
68.01284	1.2
69.43208	5.1
71.01256	2.3
73.00905	0.7
83.01257	1.3
83.75550	0.7
89.02319	2.5
91.01771	14.1
95.01271	0.8
101.02324	1.3
108.02052	4.7
111.00753	1.8
117.03322	1.6
119.03355	1.1
119.04955	1.6
122.06027	0.8
123.00785	1.2
123.03138	2.0
123.04408	42.2
124.01511	1.0
124.04761	1.4
136.81398	0.9
137.02304	1.2
137.05984	0.8
138.05508	42.9
145.02861	9.4
149.04480	1.7
152.01083	3.3
167.03413	100.0
168.03755	3.4
180.06570	2.9
231.55016	0.8
271.02460	0.9
299.16589	18.8
300.10925	6.3
300.16565	1.1
321.91553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34626	0.5
59.01242	1.9
59.01510	0.4
65.00191	1.7
68.01287	0.6
71.01246	1.4
71.26411	0.9
73.02782	0.5
89.02316	1.9
91.01764	14.0
95.01270	0.5
101.02301	0.6
108.02036	5.4
111.00764	1.9
117.03329	0.7
119.03405	0.7
119.04912	0.8
123.04407	52.5
124.01537	1.5
124.04740	1.4
131.03340	0.5
137.02275	0.6
138.05507	12.8
139.00256	0.6
145.02878	3.1
149.04463	2.1
152.01041	3.5
167.03407	100.0
168.03752	4.5
247.54652	0.5
299.07751	0.6
299.16602	3.5
300.10840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0196
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
56.04350	0.4
57.03313	0.4
57.43472	0.4
59.01237	0.7
63.02272	2.9
64.99907	0.4
65.00173	2.1
69.96290	1.5
76.06503	0.3
83.01253	1.6
89.00179	0.6
91.01762	0.4
93.03313	0.5
98.20567	0.4
99.12781	0.4
107.01275	3.5
109.02825	4.6
109.36745	0.4
115.05406	0.7
117.03360	1.2
119.01286	0.6
119.04899	0.3
121.02868	0.5
131.04912	0.6
133.02837	7.8
135.00763	1.5
137.02338	0.6
138.05530	0.4
143.04926	3.0
145.02843	3.6
147.00864	0.7
147.04430	1.1
148.01440	0.4
149.02289	0.6
151.00276	2.7
155.04872	0.9
157.02841	2.3
159.04402	0.9
161.02449	0.6
163.03894	0.5
169.02838	0.8
170.03629	0.5
171.03053	0.5
171.04417	7.1
173.02415	2.0
175.03932	3.7
179.03412	0.8
182.03683	0.8
183.04416	0.8
185.02438	0.6
187.03899	3.2
189.05457	0.6
190.59258	0.3
197.02396	1.5
198.03142	2.1
199.03925	13.3
200.04329	0.7
201.01852	4.7
203.03386	0.8
207.10146	0.8
213.01869	0.6
214.02689	0.9
215.03447	5.2
217.06104	0.3
225.01784	0.6
225.11302	1.2
226.02649	2.1
227.03432	7.0
242.02139	2.0
243.02959	8.2
255.02927	2.2
271.02466	81.4
272.02792	5.3
282.01498	0.8
299.01956	100.0
299.16574	3.3
300.02444	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	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
54.93593	0.6
56.78215	0.5
57.22544	0.6
63.02272	6.2
65.00204	3.4
69.74207	3.6
75.78835	0.6
79.01768	0.9
83.01289	1.1
86.67767	0.6
89.00220	0.7
91.01778	1.6
93.03336	0.6
96.35328	0.7
107.01268	4.0
108.35095	0.6
109.02820	6.4
115.05425	1.4
117.03430	0.7
119.01296	1.3
131.04947	1.3
133.02846	12.1
135.00793	1.1
139.90430	0.6
143.04921	4.1
145.02884	2.3
147.00851	0.9
147.04448	1.6
151.00293	3.5
155.04945	1.8
157.02907	3.3
159.04439	1.0
161.02269	1.0
169.02905	1.3
171.04430	9.0
173.02313	1.9
175.03952	4.1
183.04468	1.0
185.02324	0.9
187.03932	5.1
189.05505	1.1
197.02411	1.8
198.03212	3.3
199.03941	18.1
200.04298	0.8
201.01860	6.6
203.03403	0.9
213.02034	1.0
215.03418	6.9
220.90102	0.7
226.02687	3.5
227.03464	6.8
229.01215	0.7
242.02184	2.9
243.02954	8.2
254.53868	0.6
255.02917	1.8
271.02466	89.8
272.02811	5.9
282.01636	1.1
292.55664	0.7
299.01944	100.0
299.16455	1.1
300.02365	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01235	1.0
63.02262	4.2
65.00199	2.9
71.01231	1.0
73.02818	0.7
83.01253	1.5
87.58397	0.5
89.00168	0.7
91.01798	0.6
91.39378	0.6
95.01261	0.9
98.19799	1.4
107.01259	4.3
108.02065	1.1
109.02824	4.3
113.99772	0.5
115.05446	1.1
117.03352	2.8
119.04931	0.6
120.56136	0.6
131.04890	0.7
133.02850	8.7
135.00778	1.2
137.02380	1.0
138.05522	0.8
139.03857	0.7
141.03291	0.8
141.38051	0.6
143.04912	3.8
145.02859	7.9
147.00717	0.9
147.04399	0.9
148.01547	1.7
151.00235	3.1
155.04874	0.9
157.02866	2.0
159.04443	0.8
161.05989	0.9
163.00259	0.7
163.03935	0.9
169.01323	1.1
171.04417	6.2
172.04718	0.6
173.02351	1.5
175.03931	4.4
182.03716	0.9
183.04443	2.1
185.02190	0.6
187.03957	4.3
197.02406	1.8
198.03169	1.7
199.03946	12.3
200.04163	1.1
201.01869	5.2
211.04053	1.2
213.01776	0.7
214.02673	0.9
215.03436	6.0
225.02022	0.8
226.02574	2.7
227.03458	9.3
229.01411	0.7
242.02106	2.0
243.02931	11.7
244.03352	0.9
255.02931	8.6
271.02469	100.0
272.02805	7.0
282.01599	0.9
299.01962	95.2
299.16550	9.8
300.02612	24.4
300.16821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2433
Annotation	(-)-cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01247	19.3
60.38865	0.7
71.01248	11.0
72.99162	1.1
73.02804	1.6
83.01233	1.0
83.04887	0.8
84.22769	0.7
85.02812	3.1
89.02312	12.1
98.19865	1.7
101.02309	8.6
113.02337	3.8
119.03370	5.3
135.04356	0.9
135.06506	4.5
141.12750	1.3
143.03322	1.1
152.65918	0.7
155.10669	12.9
161.04431	2.8
174.26323	0.7
179.05531	3.1
183.01114	7.7
237.09799	1.0
279.23236	12.1
297.11853	7.2
297.15277	16.3
297.24329	100.0
298.15689	1.6
298.24634	8.2
313.15530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75529	1.2
55.01740	1.6
58.00456	2.7
59.01250	100.0
69.90688	2.7
69.91095	4.9
71.01253	61.0
72.99169	4.7
73.02801	5.8
83.01261	2.9
85.02834	13.7
87.00749	4.7
89.02319	80.8
95.01267	3.7
96.95875	1.5
97.02787	1.2
101.02322	40.8
113.02325	28.0
119.03393	35.9
131.03365	2.8
133.05063	1.3
135.04399	4.7
135.06537	23.8
143.03397	8.1
149.04466	2.7
155.06239	1.2
161.04468	18.6
179.05563	23.8
210.60406	1.3
237.09822	2.4
280.44687	1.4
297.11887	62.4
297.24341	3.6
298.12222	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	297.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03324	1.3
58.00455	3.6
59.01250	100.0
60.01566	1.0
68.78255	1.0
70.14991	3.2
71.01252	55.8
72.99172	3.5
73.02802	4.4
83.01243	3.1
85.02822	12.7
87.00742	3.1
89.02316	68.8
90.02650	1.1
95.01263	3.2
97.02767	1.0
99.00740	1.9
101.02322	34.2
102.02668	1.0
113.02334	23.8
115.03921	0.9
119.03385	33.0
125.02377	0.8
131.03380	4.0
135.06531	18.1
141.99930	0.9
143.03378	6.5
149.04478	2.1
161.04475	17.3
167.90500	0.9
179.05539	26.8
204.94688	0.8
237.09799	3.6
297.11905	43.7
297.24277	2.3
298.12180	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	297.1343
Annotation	Saussureolide
Peak:m/z	Relative Intensity
57.03327	8.7
58.00478	5.9
59.01251	35.0
69.03335	11.9
69.73786	7.7
71.01250	13.5
72.99180	100.0
73.02824	10.6
79.05447	1.7
80.88513	1.2
81.03329	3.1
83.01253	1.3
83.04895	20.6
85.02816	4.1
87.00754	1.8
88.25394	1.5
89.02319	11.0
95.04926	2.8
97.02849	2.8
97.06512	1.2
99.00742	1.5
99.04421	6.6
100.30717	1.3
101.02329	7.7
103.00259	13.7
107.04903	3.5
109.02846	3.4
109.06474	19.8
112.81902	1.4
113.02345	5.2
117.06987	1.3
119.03391	4.3
119.04896	1.2
121.06487	1.4
133.06468	3.0
135.04451	2.4
135.06537	5.0
135.08076	3.3
137.06009	2.0
139.07559	8.2
143.03438	1.6
145.06546	1.8
147.08028	6.7
149.26427	1.3
150.06808	3.0
152.04672	1.7
154.02594	2.1
159.08069	1.4
161.04463	4.5
161.09595	2.5
162.73943	1.1
165.01793	2.4
175.11209	4.3
177.09256	1.8
177.12715	1.8
179.05521	3.4
189.12877	3.3
193.12280	3.0
195.10159	1.4
196.81119	1.2
198.03152	2.6
205.12212	7.3
217.12282	12.6
223.13364	3.5
226.02675	4.1
233.11787	2.0
235.13373	4.8
249.11375	2.5
254.02176	4.5
267.12369	27.2
268.12766	3.1
269.04523	13.5
279.12375	1.6
283.02490	4.0
297.03918	2.7
297.13620	33.8
297.24316	7.0
297.27402	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.43510	0.2
57.01291	0.2
57.03316	1.1
59.01250	4.0
71.01256	1.4
71.41221	0.6
73.02840	0.3
85.02803	0.4
89.02316	0.3
97.06458	0.3
99.08034	0.3
101.02314	0.7
113.02335	0.4
113.09618	2.6
133.04985	0.6
140.44254	0.2
140.89261	0.2
161.04475	0.4
169.12238	0.3
169.42424	0.3
171.10155	1.3
177.12758	0.6
179.14388	1.1
181.12216	0.6
195.13843	18.3
196.14189	1.0
220.90143	0.3
259.20889	0.3
277.18188	1.6
277.21695	18.5
278.22043	1.7
294.21213	0.3
295.22757	100.0
296.23129	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	297.1188
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01742	1.6
57.03316	2.2
58.00452	3.8
59.01249	100.0
70.77231	1.2
70.77579	2.1
71.01251	65.2
72.99183	6.9
73.02828	6.0
81.03324	1.6
83.01253	4.8
85.02824	20.9
87.00744	4.4
89.02316	79.4
89.18021	0.9
90.02650	1.5
95.01250	4.3
96.95891	2.1
97.02879	1.1
99.00740	2.6
101.02316	42.7
107.96888	0.9
113.02329	26.6
117.01838	0.9
117.05436	1.1
119.03388	33.0
125.02312	1.6
128.04401	0.9
131.03395	3.7
135.04445	5.6
135.06531	24.4
143.03418	5.6
149.04442	2.3
159.02864	1.8
160.28079	1.0
161.04465	15.4
163.03818	1.4
179.05537	24.0
237.09753	2.8
297.08514	2.7
297.11850	47.9
297.24323	3.8
298.12299	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.73953	0.2
57.03316	1.1
59.01250	2.9
60.01521	0.2
71.01236	0.6
73.02808	0.2
83.04901	0.4
85.69833	0.2
97.06484	0.4
99.08036	0.4
99.11465	0.2
113.09617	2.4
147.69417	0.2
171.10179	0.6
177.12752	0.5
179.03143	0.3
179.14308	1.3
181.12326	0.4
190.18610	0.3
195.13849	20.6
196.14185	1.1
233.22661	0.3
259.20532	0.3
277.21716	20.4
278.22186	1.6
292.38651	0.3
293.21237	0.3
295.22769	100.0
296.23126	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.54437	0.2
56.62475	0.3
57.03315	1.0
59.01254	4.8
70.69879	0.5
70.70212	0.4
71.01248	1.5
73.02784	0.2
83.04884	0.6
85.02802	0.5
89.02321	0.7
97.06488	0.5
99.08003	0.2
101.02316	1.0
113.02290	0.5
113.09604	2.5
119.04954	0.3
133.04919	0.7
134.69734	0.2
161.04535	0.3
163.03926	0.3
177.12733	0.5
179.14346	1.5
181.12251	0.6
195.13841	20.1
196.14140	0.8
208.00212	0.2
229.99658	0.2
235.08246	0.3
251.23822	0.5
253.09351	0.2
261.79517	0.3
277.21716	17.9
278.22015	1.3
295.22766	100.0
296.23120	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03319	1.4
59.01250	12.2
60.44073	0.9
62.28581	0.9
63.67578	0.8
71.01266	5.2
71.49464	1.5
79.52644	1.1
83.50510	0.8
89.02321	2.0
98.44531	0.8
101.02309	2.8
113.02289	1.3
113.09619	2.3
114.07595	0.9
133.04962	1.4
163.03949	1.8
171.10257	1.0
181.12234	1.0
183.13869	2.6
195.13844	21.8
196.14157	1.4
233.05396	0.7
235.08324	1.6
236.04370	0.9
253.09393	1.0
277.21701	18.3
278.22092	2.4
295.10202	4.1
295.22772	100.0
296.23080	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03314	0.6
58.03428	0.5
59.01245	1.7
71.21194	1.1
72.07851	0.5
78.14317	0.5
95.33847	0.5
113.09598	0.8
125.09595	1.4
141.12740	0.9
171.10175	27.6
172.10526	1.3
172.59305	0.5
195.13808	6.0
196.07457	0.5
207.59531	0.6
209.73691	0.6
261.73965	0.5
277.21729	41.6
278.22089	3.8
295.22778	100.0
296.23148	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	295.1186
Annotation	Ampelomin G
Peak:m/z	Relative Intensity
50.46473	3.0
56.21751	3.0
57.03329	18.7
59.01244	51.4
62.37003	3.0
63.26993	3.2
65.03834	40.9
67.01772	5.9
68.69463	2.9
69.03326	9.2
69.29621	5.0
69.30027	27.0
71.01247	13.9
73.02809	8.1
79.05412	11.5
80.02573	3.0
81.03352	4.1
81.83589	3.1
83.01280	3.9
83.04900	14.5
84.33722	3.4
85.02834	7.3
92.24454	2.9
93.03338	9.8
93.06976	7.9
95.04910	5.0
95.95099	4.3
101.02332	9.1
102.49149	3.1
106.04107	3.4
107.04906	50.7
108.02004	3.0
109.06461	7.3
110.94738	3.1
113.02328	3.5
117.06959	4.4
119.04903	8.6
119.08545	35.5
120.05731	17.2
121.06509	26.0
123.04421	7.8
125.05975	9.2
131.08549	19.8
133.02914	4.4
133.04988	4.0
133.06461	16.5
134.03616	14.1
135.04353	10.3
135.08060	28.2
136.04124	4.3
141.60983	3.3
145.06483	12.0
147.08060	10.1
149.09612	20.8
157.06491	8.9
158.07280	22.3
159.08018	12.1
160.05348	4.2
161.04454	3.9
163.03876	5.5
163.07538	4.7
167.80772	3.1
171.04404	8.0
171.08089	8.4
173.09641	43.5
175.07593	5.4
189.05614	3.8
191.10728	9.7
193.08618	6.3
201.09137	11.6
205.12263	14.4
216.62210	4.1
219.10306	3.8
251.16467	4.2
263.09247	7.7
267.12390	14.2
295.11929	100.0
295.22577	4.8
296.12476	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17911	0.8
56.14285	0.8
59.01262	1.2
70.82676	2.9
71.01254	5.2
73.02836	4.5
87.00755	1.2
89.02318	26.1
103.03906	2.1
112.94128	0.9
119.04916	70.0
120.05264	2.9
131.03401	7.7
149.04459	100.0
150.04791	2.2
150.63277	0.9
163.03920	80.4
164.04262	2.7
169.34975	0.8
185.06102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19076	0.3
57.03321	1.4
67.46832	0.4
71.01292	0.4
79.25949	0.3
81.65089	0.3
97.06461	0.9
114.41804	0.3
115.52370	0.4
123.08083	0.7
125.09620	4.9
139.11200	0.4
141.12753	1.3
149.09608	1.9
167.14311	0.6
185.11760	9.4
186.12077	0.7
197.11726	2.7
249.22372	0.8
275.20111	0.9
293.21225	100.0
294.21582	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41556	0.3
57.03328	0.7
59.01250	3.5
69.03322	0.6
71.01258	2.0
71.04883	0.3
72.99181	0.5
73.02816	0.3
82.03636	0.3
85.02830	0.8
89.02322	1.4
92.38970	0.3
95.04861	0.6
97.02836	0.5
101.02306	0.4
109.06462	0.3
111.08045	0.9
113.02297	0.5
113.05972	0.3
113.09605	1.2
121.10126	0.4
131.03410	0.8
136.08804	0.4
141.09119	0.4
149.09590	0.3
161.04451	1.0
167.10663	0.7
171.10179	0.6
177.12764	0.8
179.10680	0.3
179.14348	1.8
181.12352	0.5
192.11523	0.8
193.15997	1.3
195.13850	15.3
196.14342	1.2
205.12257	1.3
205.15901	0.8
211.13300	1.1
217.81886	0.3
220.14667	1.7
221.15405	2.3
222.15875	0.3
223.13353	11.0
224.13840	0.8
228.13686	1.6
231.21165	0.7
236.10539	1.6
249.18562	0.6
249.22324	0.5
256.13144	4.3
265.21756	0.8
275.20193	9.1
276.20508	0.7
293.08868	3.1
293.21234	100.0
294.08643	0.3
294.21567	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83292	0.2
57.03321	0.9
59.01251	4.2
61.98693	0.4
69.03304	0.3
70.55225	0.3
70.55578	0.8
71.01245	2.3
72.99204	0.4
73.02782	0.3
78.00439	0.2
79.95602	0.6
83.04865	0.4
85.02811	0.4
87.00730	0.3
89.02329	1.3
92.63069	0.2
92.65863	0.2
95.04906	0.6
95.63452	0.2
97.02895	0.3
97.06453	0.3
99.00762	0.3
101.02312	0.4
111.08031	1.1
113.09621	1.7
121.10109	0.5
131.03404	0.7
136.08859	2.0
161.04428	1.2
167.10713	1.0
171.10176	0.8
174.97630	0.3
177.12794	0.3
179.10654	0.5
179.14278	1.5
181.12308	0.3
192.11481	1.1
193.15877	3.1
194.16415	0.3
195.13829	13.9
196.14328	1.1
203.70804	0.2
205.10423	0.3
205.12169	1.3
205.15784	0.7
211.13312	0.9
220.14636	1.9
221.15407	2.8
223.13358	10.4
224.13864	0.8
228.13693	1.5
231.21059	0.9
235.16992	1.0
236.10451	2.0
239.12767	0.3
249.18555	1.0
249.22189	0.4
254.83905	0.3
256.13126	4.0
265.21793	0.6
275.20154	9.2
276.20493	0.8
293.08807	2.5
293.21207	100.0
294.21548	9.2
304.55881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01241	1.5
67.73333	0.7
70.36354	1.7
70.36726	1.4
75.27493	0.7
95.04926	0.7
113.09595	0.7
167.10789	0.9
179.14345	1.1
195.13857	15.5
196.14442	2.0
205.12389	0.9
211.13193	0.7
223.13353	14.2
224.13672	1.2
228.13681	1.1
256.13168	4.8
275.20148	9.7
276.20248	0.7
293.21234	100.0
294.21579	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60934	0.2
51.90530	0.2
57.03324	4.3
59.01243	2.1
62.18006	0.3
70.25874	1.2
71.01254	0.6
78.51752	0.3
83.04886	0.3
89.02315	0.3
90.64919	0.2
95.04836	0.3
97.06455	1.1
97.50098	0.3
109.06483	0.5
113.09605	14.0
114.09959	0.4
115.07551	0.3
121.10083	0.6
123.08028	0.4
125.09601	2.0
139.11166	1.6
141.12688	0.7
149.09613	1.1
149.95415	0.3
157.65254	0.3
161.04405	0.4
165.12711	0.3
165.31294	0.3
167.10666	1.8
171.10172	1.7
177.12769	0.9
179.10718	1.4
185.11768	3.7
195.13841	2.4
195.17679	0.3
196.14252	0.3
197.11758	1.0
221.15450	0.3
249.22154	1.7
249.53008	0.3
275.20114	1.8
276.20578	0.3
293.21216	100.0
294.21552	10.1
294.24789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01238	1.3
70.98553	2.2
78.13503	1.0
105.00774	1.0
112.42045	0.9
121.10119	42.0
122.10451	2.0
141.12689	1.1
155.18115	1.2
171.10184	71.0
172.10515	4.2
172.30302	1.2
185.11786	3.1
203.18246	1.2
231.21115	4.0
275.20154	100.0
276.20468	10.0
293.21231	66.0
294.21658	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	293.2118
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.89705	0.6
57.03313	1.4
59.00991	0.8
59.01252	7.0
61.98694	0.7
69.03316	0.9
70.01389	0.6
71.01265	3.5
71.50418	0.8
72.99172	0.6
73.02793	1.0
85.02814	1.0
89.02306	3.4
95.04906	0.6
96.95900	0.8
97.02849	0.7
97.06433	0.7
101.02318	1.1
102.93975	0.5
111.08008	0.7
113.02276	0.6
113.09592	1.3
119.03355	0.7
125.02379	0.8
134.03526	0.9
135.04424	1.6
143.03424	0.9
161.04477	3.2
167.10684	0.9
179.03320	0.8
179.14279	1.3
181.12378	0.7
185.11749	1.4
195.13821	14.7
196.14139	0.8
205.12216	1.1
205.15909	0.7
211.13377	0.9
221.15398	1.2
223.13319	9.5
224.13675	0.8
228.13542	1.6
249.18578	0.7
249.22221	1.1
256.13162	3.0
265.21729	0.8
275.16812	1.1
275.20099	7.8
286.39899	0.7
293.08759	4.7
293.17694	7.5
293.21188	100.0
294.21545	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18678	0.6
51.03313	0.6
54.27216	0.7
57.30104	0.6
58.00471	1.0
59.01249	27.9
69.03336	1.0
70.06052	2.6
71.01255	17.6
72.99167	1.4
73.02829	1.2
73.32242	0.6
77.99374	0.8
78.37466	0.6
83.01266	1.3
83.09054	0.8
85.02827	3.9
85.06464	11.4
87.00745	1.2
89.02318	17.2
95.01253	1.5
97.29150	0.7
98.19865	0.7
101.01704	1.2
101.02325	11.7
101.96391	0.8
111.77747	0.6
113.02341	4.8
113.05974	3.4
115.07550	1.9
119.03379	6.9
127.07558	1.1
131.07037	54.5
132.07349	1.0
161.04457	1.7
173.08113	2.4
293.12430	100.0
294.12732	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39278	0.2
59.01232	0.6
62.78187	0.3
68.13489	0.2
70.62370	0.8
71.01250	8.7
86.15720	0.2
86.27267	0.2
89.02308	0.4
93.18936	0.3
96.21436	0.3
103.60088	0.2
113.50101	0.3
127.07549	0.8
136.05339	0.2
148.05148	1.5
151.07552	0.5
164.08328	1.4
177.07655	0.4
177.09131	5.3
177.48672	0.3
178.09444	0.4
190.09932	0.4
192.09848	0.5
192.11488	7.5
193.12033	0.5
195.13800	0.3
205.12283	7.5
206.12599	0.5
206.46910	0.3
207.13794	1.6
217.08791	0.6
218.09462	2.2
220.14635	51.7
221.15405	100.0
222.15761	6.4
235.13329	1.0
236.10500	70.1
237.10854	5.1
238.90776	0.2
253.14615	0.3
293.08832	0.7
293.17587	7.8
293.21201	2.3
294.17877	0.8
294.21091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93105	0.7
53.46191	0.5
54.29475	0.5
57.03332	0.8
58.02834	0.9
59.01250	5.7
68.14107	0.6
71.01257	3.1
71.50127	0.9
73.02802	0.7
85.02805	1.3
88.55804	0.5
89.02318	2.1
101.02253	0.5
103.09363	0.5
104.27398	0.6
104.72691	0.5
108.04408	1.1
113.02332	0.7
118.10983	0.5
125.02328	0.9
125.09595	1.3
131.03397	1.2
145.02861	0.6
156.13846	100.0
157.14180	3.9
161.04453	2.1
165.12697	0.6
166.13165	0.7
185.11783	2.4
197.11888	0.7
200.12854	5.7
220.14574	2.9
221.15401	5.8
236.10493	3.4
248.21014	0.7
274.18814	0.6
277.03641	1.2
292.06134	1.0
292.09235	0.8
292.16385	0.9
292.19986	11.8
293.08768	3.7
293.11664	0.6
293.17709	2.1
293.21179	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
71.01283	0.3
90.89362	0.2
95.04898	0.3
97.06487	0.5
103.49137	0.3
111.08031	0.5
119.04900	0.3
120.32511	0.2
125.05940	0.6
125.09597	0.4
141.09167	0.3
141.42279	0.2
143.18745	0.2
146.80359	0.3
148.08847	1.4
149.09651	0.3
150.10419	1.2
151.11142	0.5
153.48216	0.3
163.11223	1.3
165.12761	20.9
166.13077	0.9
175.11192	0.4
176.12001	0.4
177.12630	0.6
179.14287	0.4
191.14337	0.9
217.15945	0.5
229.19632	0.3
247.20660	9.8
248.20906	0.7
259.33572	0.2
273.18613	6.8
274.18887	0.7
291.19656	100.0
292.20001	8.7
303.72504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
57.87863	0.5
59.02099	0.4
66.47376	0.5
67.25921	0.4
67.61419	0.4
70.98386	1.2
93.06975	1.2
97.06454	1.9
121.10117	12.2
122.10418	0.5
123.08007	1.0
125.09599	6.8
141.12746	0.5
147.08072	0.9
185.11760	14.9
197.11772	3.4
209.11801	1.6
211.13319	2.0
247.20592	1.0
273.18533	1.9
281.27396	0.5
291.19662	100.0
292.19995	9.0
310.54855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01249	0.8
71.01260	0.4
73.02816	50.1
74.03157	0.5
78.46719	0.3
83.35633	0.3
89.75345	0.4
98.20572	1.0
104.17207	0.4
111.08091	0.4
119.04890	0.6
124.04330	0.4
134.06039	0.3
144.16945	0.3
165.12718	0.4
281.41080	0.4
291.19656	100.0
292.20020	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.8
69.03326	0.9
71.01246	2.9
72.44275	0.6
85.02798	0.9
89.02324	2.5
101.02354	0.6
111.08024	0.6
121.10211	0.7
131.03371	1.1
156.13843	100.0
157.14214	4.3
161.04497	1.2
171.10236	1.5
173.25710	0.6
200.12849	7.2
220.14716	2.4
221.15437	4.8
236.10583	4.2
236.12668	0.6
275.20163	1.6
292.06351	0.9
292.19998	6.7
293.08832	3.6
293.17639	1.6
293.21194	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03312	1.7
59.01249	2.6
69.37140	1.4
69.37558	1.8
69.71770	0.4
71.04891	3.4
76.60246	0.4
83.04913	1.1
95.04907	1.1
97.06480	1.3
109.06441	0.6
111.08039	11.6
121.10110	1.2
125.09600	0.7
132.64967	0.4
137.09644	1.0
149.09616	0.8
165.12700	0.5
167.10707	1.9
169.12248	0.4
177.12775	1.8
179.10709	1.7
181.12421	0.4
195.13834	7.8
203.14420	0.4
219.13913	0.8
247.20576	3.2
250.28433	0.4
253.66003	0.4
273.18619	1.9
291.19653	100.0
292.19952	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	291.1603
Annotation	15-Acetoxybrasilic acid
Peak:m/z	Relative Intensity
57.03312	3.0
59.01250	100.0
60.20885	0.9
68.02404	4.2
69.44819	6.8
71.01246	1.0
83.04918	1.2
97.06448	1.5
107.85860	0.9
111.08018	1.4
119.04927	1.8
119.08562	1.3
121.02839	1.3
142.94916	1.1
145.02814	1.1
163.03937	2.1
175.14832	1.3
203.18048	5.3
209.04475	1.4
217.15959	2.7
219.07863	1.2
219.13846	7.2
220.14069	1.1
221.17899	1.0
231.13824	6.4
247.17033	15.6
247.19771	1.3
247.20659	1.7
249.12439	2.0
249.14955	33.3
250.15309	3.0
271.70151	1.0
291.08936	2.1
291.16013	76.0
291.19601	24.6
292.09198	1.0
292.16357	7.0
292.19772	1.9
298.96637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77686	0.5
57.03330	0.6
58.16708	0.5
59.01250	100.0
60.01586	1.4
64.14822	0.5
69.32707	4.7
71.01246	0.7
71.04911	0.6
73.52356	0.5
98.19775	0.9
105.06956	1.1
108.39706	0.6
164.01833	0.5
185.13306	1.8
201.12822	0.5
212.67461	0.6
215.14403	0.7
225.04726	0.5
228.59856	0.6
229.12238	1.3
247.13380	8.3
289.07376	0.6
289.11368	0.8
289.14551	7.9
289.18054	1.9
290.14890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27011	0.4
53.32631	0.4
59.01241	1.6
69.03326	1.4
69.60879	0.8
69.61293	2.1
71.01233	0.7
73.02799	0.9
73.45573	0.4
79.50429	0.4
83.04896	0.7
85.02814	1.7
85.27373	0.4
87.00682	0.4
89.02287	0.5
93.03306	0.6
95.04898	9.4
97.06466	52.3
98.06792	1.4
111.08035	0.7
115.07532	22.6
116.07906	0.6
117.03335	2.3
118.51266	0.4
119.04916	8.7
120.05262	0.6
141.05472	2.3
145.02855	9.0
155.98740	0.3
159.06532	100.0
160.06856	3.0
163.03917	9.0
173.08090	1.3
212.44115	0.4
243.06209	0.3
245.26924	0.4
291.08224	1.1
291.11246	5.7
291.19675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03323	1.3
58.00467	0.7
59.01251	43.3
69.60657	3.3
71.01258	11.6
72.99185	1.0
73.02821	13.9
83.01257	4.7
85.02824	9.4
85.06505	0.5
87.00757	1.9
89.02328	0.9
93.03369	0.5
97.02831	1.1
99.00749	2.1
101.02329	18.7
113.02320	3.0
119.04923	0.5
124.01524	1.0
125.02345	0.7
141.01840	0.7
149.76675	0.5
155.10719	0.9
159.06543	0.7
161.04457	9.5
171.10197	0.7
173.11746	1.4
174.03188	0.5
175.07597	0.8
200.04710	0.5
203.07106	0.8
217.10751	1.0
229.08447	0.6
247.09705	0.8
249.13408	100.0
250.13747	5.4
291.09079	1.1
291.14490	2.0
291.19836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26212	0.7
55.01750	1.9
57.03308	1.4
58.00461	0.9
59.01251	46.2
61.98698	0.8
63.36750	0.6
69.03323	1.2
71.01254	12.7
71.49809	0.6
71.50220	0.8
72.99189	1.6
73.02819	15.1
83.01263	4.5
84.21380	0.6
85.02836	8.1
87.00745	1.5
89.02323	1.3
93.05361	0.7
97.02802	1.1
97.06469	0.9
99.00744	1.7
99.04385	0.6
101.02325	19.2
102.95356	0.6
113.02335	3.6
119.03449	0.8
119.15622	0.7
124.01476	0.8
138.01082	0.6
141.01881	1.6
159.06499	5.1
160.93140	0.6
161.04474	10.4
161.05714	1.2
162.04890	0.7
163.95456	0.6
173.11774	0.8
229.08643	0.7
243.63295	0.9
247.09685	1.0
249.13406	100.0
250.13744	6.4
250.42674	0.7
291.08710	1.0
298.87500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01248	17.0
64.72210	1.0
66.67385	1.0
69.03333	2.1
69.68134	6.8
71.01241	2.5
71.04899	3.0
72.99189	1.0
73.02811	2.8
81.03326	1.4
83.04898	1.2
85.02810	1.2
86.20676	0.9
89.02332	1.7
95.04910	2.6
97.06463	17.8
98.19865	1.2
99.08032	1.6
101.02328	1.4
106.80628	1.0
113.09619	4.0
117.84464	1.4
119.03388	1.4
119.93201	1.0
123.08025	2.5
125.05971	2.8
125.75713	0.9
125.96651	1.0
127.07552	1.6
131.03377	1.3
139.07558	1.3
141.09120	26.3
143.07039	28.8
144.07370	1.8
157.08612	100.0
158.08961	4.5
185.08134	8.2
203.09186	24.5
215.03343	1.1
222.11787	1.0
289.13000	2.1
289.16034	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	289.1195
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
56.29859	0.5
57.13537	0.6
59.01244	0.8
61.76280	0.6
66.53936	0.5
71.01246	0.5
71.50667	1.2
78.03357	0.8
80.04929	1.3
81.03329	1.8
92.04935	6.5
94.02897	1.0
94.06498	13.6
96.80810	0.5
103.04052	0.5
103.30021	0.6
104.04930	4.2
105.03352	4.0
106.02863	1.2
106.06508	47.8
107.03656	1.5
107.06846	0.9
108.04436	5.0
110.05964	0.8
120.04443	17.0
120.05293	1.0
121.05270	4.4
122.02358	0.8
122.06008	46.3
123.03142	8.5
123.06351	1.8
124.03916	0.7
124.07533	2.8
125.02359	2.9
131.03629	1.8
132.04448	11.9
135.03157	1.7
136.03941	2.2
138.05505	85.2
139.05855	2.8
140.07060	4.1
144.08101	0.9
147.03105	0.7
148.03929	4.5
150.05513	23.7
151.05803	0.7
157.05049	0.9
158.09615	1.5
159.06822	3.2
166.05009	6.1
168.06638	1.0
172.07622	1.3
172.11276	0.6
173.08337	2.9
174.12784	3.7
174.75360	0.6
184.11267	2.9
186.09193	0.6
187.09903	1.4
188.07112	3.0
189.07883	8.3
197.07150	1.5
198.07864	1.3
199.05055	1.0
200.05829	1.3
200.09279	0.8
200.10838	1.1
201.31532	0.6
202.08681	1.1
202.12302	9.7
203.09396	3.6
211.08601	0.7
212.09486	1.7
213.06642	4.2
214.07498	1.3
215.11844	10.7
216.10358	0.7
216.12186	1.1
217.07387	15.5
218.07838	1.0
218.11952	0.8
225.10312	0.8
226.07399	2.7
227.08276	1.6
227.11789	2.7
228.08879	1.8
229.09821	3.2
231.08961	7.1
231.11333	2.2
239.07906	0.7
241.06134	1.2
241.09787	14.3
242.06912	1.5
242.10388	1.2
243.11353	13.4
244.11664	0.9
245.09018	0.8
245.13025	1.4
246.11307	10.4
247.11659	1.0
253.09868	1.2
256.08600	1.2
259.10840	7.3
271.10880	25.2
272.11154	1.7
289.11938	100.0
290.12289	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
58.41074	0.2
59.01242	0.6
63.02486	0.2
67.51892	0.2
71.42591	0.3
97.06445	0.4
99.08047	1.5
109.06484	0.4
111.08041	0.3
113.09612	0.4
125.02335	0.3
125.09655	0.2
129.09096	0.8
135.04372	0.3
139.11156	0.3
141.12764	1.8
151.00264	0.4
155.14334	0.4
223.20570	0.3
239.20027	0.3
241.21718	1.1
243.17479	0.5
269.21198	2.7
270.21481	0.3
285.20667	2.0
287.22266	100.0
288.22607	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.38275	0.3
59.01248	0.7
59.51662	0.2
65.03830	0.4
81.03341	1.3
83.70955	0.2
89.03181	0.2
92.04924	0.9
93.03326	1.7
98.20603	0.5
98.47713	0.3
99.92497	0.3
107.03658	0.4
108.02057	0.6
108.04443	4.6
109.02838	5.1
121.02835	0.4
124.01533	0.5
134.02373	42.8
135.03192	9.0
136.03940	39.1
137.02342	1.9
137.04285	1.5
147.04343	0.3
148.03934	1.0
149.04733	1.1
152.01006	0.5
176.03441	5.1
177.04189	0.9
181.03729	0.4
188.87291	0.3
190.05017	0.5
204.06667	0.4
229.56201	0.3
233.66559	0.3
251.88608	0.3
261.48294	0.2
284.63470	0.3
288.16040	100.0
289.16360	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93748	0.2
67.01759	0.2
69.03323	0.5
69.57842	0.6
69.58268	0.7
72.37647	0.2
73.02827	0.4
78.95773	0.3
81.03328	100.0
82.03657	2.4
89.02317	0.3
95.01271	0.3
96.95899	0.2
96.96867	0.2
98.20518	0.4
111.04399	0.3
113.05966	3.3
125.02332	6.2
127.03926	0.2
131.03380	0.5
149.04439	1.8
157.04970	16.6
158.05295	0.7
167.05165	0.2
167.06641	0.2
178.54218	0.2
290.09512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27684	0.3
62.89336	0.3
67.01778	0.5
69.03333	0.3
80.96192	0.3
81.03327	100.0
82.03658	2.6
89.02301	0.5
93.03341	0.3
113.05962	2.0
120.92713	0.3
125.02333	5.6
135.04411	0.8
149.04442	1.4
157.03676	0.7
157.04965	13.3
158.05392	0.6
179.03502	0.4
207.33792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69328	0.8
57.03322	7.7
58.00467	5.7
59.01249	91.6
71.01252	25.6
71.50376	1.6
72.99184	5.7
73.02831	1.2
83.04862	1.8
85.02793	0.8
87.04401	1.1
89.02319	38.6
97.06503	1.1
119.08541	2.8
125.96159	0.9
133.10136	1.1
168.35986	0.8
176.14819	0.9
189.12788	3.2
213.65977	0.8
221.56325	0.8
225.14931	2.3
235.13358	1.3
238.67026	1.0
285.04248	4.3
285.17072	100.0
286.17395	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01230	0.7
61.98707	0.3
65.00208	1.5
70.02850	1.0
70.81982	0.4
70.82301	0.5
74.05982	2.1
89.00235	0.3
93.03333	1.1
97.02831	1.2
98.02324	0.3
105.37937	0.3
112.91934	0.3
117.06985	2.8
118.04973	0.8
121.02848	0.6
125.02328	0.4
135.04407	0.3
149.99466	0.5
161.02385	0.6
165.01848	4.9
193.01357	0.4
216.04245	0.4
238.21696	0.3
240.23308	3.1
242.21140	1.7
242.41315	0.3
243.02925	2.1
243.06444	0.3
244.03717	0.4
256.22757	0.4
259.06076	6.2
268.22849	1.0
286.04318	0.9
286.23865	100.0
287.05615	2.0
287.16425	1.4
287.24246	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	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03323	0.3
63.02274	2.0
63.16006	0.2
65.00194	11.4
70.20211	1.1
73.96330	0.3
83.01259	5.2
104.70523	0.2
107.01271	15.3
107.04938	0.5
108.01570	0.5
108.99157	0.3
109.02841	2.4
112.11805	0.3
120.14156	0.2
125.02341	3.1
125.87244	0.3
133.02800	0.3
134.03651	1.8
135.04414	100.0
136.03825	0.4
136.04773	4.5
151.00275	80.0
152.00603	2.5
159.04527	0.3
161.02319	0.7
165.01778	0.6
169.01324	1.0
177.01837	0.4
229.70250	0.3
269.04489	0.6
287.05621	12.2
288.06018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
56.31873	0.3
57.03324	14.1
63.02266	3.5
65.00193	8.4
65.03863	0.4
67.01750	0.3
71.50453	0.4
76.50747	0.3
79.06579	0.3
80.96381	0.7
81.03326	4.1
83.01257	11.5
90.17223	0.3
93.03334	3.4
95.01276	1.1
106.48183	0.4
107.01271	6.7
107.04918	1.0
108.02113	0.5
109.02849	2.4
111.00765	1.1
116.77049	0.3
117.03369	0.6
121.02866	1.2
123.00776	0.8
123.04421	2.2
124.01561	3.3
125.02338	100.0
126.02673	3.1
126.87093	0.3
130.04152	0.7
130.26875	0.4
131.04933	2.3
133.02873	2.5
134.03642	1.7
135.00824	0.4
135.04422	2.3
137.02316	0.5
143.04893	0.5
145.02882	0.7
145.06499	0.6
147.04303	0.3
149.05975	0.8
149.32802	0.3
150.03191	0.5
151.00278	13.2
152.01057	9.4
153.01863	3.7
153.51726	0.3
155.04947	0.4
156.05746	0.9
157.06543	2.1
158.03661	0.9
158.43916	0.4
159.04420	2.0
165.01881	0.9
169.01347	1.3
171.04433	0.5
171.08113	0.4
172.05260	1.8
173.05983	5.6
174.06323	0.3
175.03996	0.9
176.01103	0.5
177.05495	16.7
178.05840	0.8
178.99776	7.3
180.00348	0.4
181.06445	0.4
183.04434	0.4
187.07603	0.8
197.06010	1.0
199.03773	0.5
199.07542	2.5
200.04704	1.0
201.05513	10.4
202.05807	0.5
203.03418	1.3
207.65425	0.4
211.03929	0.4
213.05505	1.9
215.07101	5.9
219.06537	1.4
225.05568	0.9
241.05023	1.9
243.04083	0.7
243.06598	15.0
244.06898	1.3
257.04538	0.4
259.06097	71.9
260.06421	5.9
269.04523	3.6
287.05618	49.1
287.18460	0.6
288.05939	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.15245	0.3
57.77231	0.4
59.01250	0.4
63.02256	2.0
63.30164	0.4
65.00193	4.3
69.34253	2.7
69.34662	0.8
70.78580	0.4
83.01266	2.1
87.04442	0.4
93.03336	0.5
98.19858	0.9
103.15219	0.4
105.03300	0.6
107.01258	5.1
107.04953	0.7
119.04917	0.6
121.02828	1.3
124.31030	0.4
125.02330	1.0
128.64618	0.5
130.04141	0.5
133.02846	25.1
134.03181	0.8
135.04398	1.9
136.01517	0.5
143.04900	1.4
145.02841	0.5
146.03641	0.7
147.04451	2.2
149.02373	2.8
151.00261	8.0
155.04953	1.2
159.04379	0.5
161.05997	0.8
164.01025	0.5
164.30989	0.4
167.04892	0.8
171.04420	1.4
173.02420	0.6
174.03165	0.5
175.03926	6.4
185.05971	1.2
187.03900	1.1
189.05443	1.9
197.05972	0.7
198.03120	1.7
199.03917	8.8
200.04294	0.5
201.01857	1.4
211.03929	0.7
212.04778	0.5
213.05513	2.5
215.03484	1.6
217.05067	3.2
228.03799	1.2
229.04980	1.2
239.03401	1.0
240.04405	0.5
241.05096	2.1
242.02242	0.5
243.02884	1.2
256.03345	0.9
257.04590	5.0
284.26816	1.8
285.04034	100.0
285.17044	1.2
286.04373	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	283.0248
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
52.08348	0.3
58.29261	0.3
59.01254	1.2
63.02266	4.2
65.00185	3.1
69.73220	1.5
74.70842	0.3
79.01770	0.5
83.01245	0.7
88.60457	0.3
89.00214	0.6
90.95367	0.3
91.01786	0.8
92.99693	0.3
93.03344	3.0
107.01257	3.5
109.71295	0.3
117.03347	12.5
118.03682	0.5
118.88552	0.3
122.06815	0.4
123.04393	0.9
131.04968	0.3
133.02820	0.5
135.00778	1.2
141.03366	2.7
143.04840	0.6
145.02882	0.4
145.06389	0.4
147.04482	0.4
151.00230	2.3
154.04106	0.7
155.04936	4.4
159.04408	5.2
167.04941	1.0
169.01479	0.4
169.02859	0.6
171.04443	2.5
173.06042	0.7
182.03658	5.0
183.04442	18.1
184.04865	1.1
185.02379	3.2
187.03912	1.0
197.02452	0.4
198.03204	0.4
199.03929	1.2
211.03957	7.5
212.04163	0.4
226.02678	1.0
227.03455	10.6
228.03851	0.5
239.03490	0.4
255.02971	76.4
256.03369	5.3
282.01428	0.4
283.02472	100.0
283.26413	12.5
284.02911	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01234	0.9
61.07392	0.4
70.70115	0.4
70.70457	1.0
82.13020	0.4
82.30602	0.4
104.23161	0.5
106.04089	0.5
107.04907	100.0
108.05235	3.6
163.11197	97.4
164.11530	4.4
194.03433	0.5
255.03030	0.5
268.03738	0.5
283.17035	89.7
283.23053	2.1
283.26376	36.1
284.17432	7.5
284.26749	1.8
284.73596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.23510	0.4
58.65147	0.4
59.01250	1.5
66.00844	0.7
69.72447	2.8
82.04003	0.8
98.20550	0.5
107.03522	5.0
108.01907	5.7
126.02981	9.2
133.01460	30.7
134.01860	0.6
150.04120	100.0
151.02544	0.9
151.04434	1.8
282.08438	32.1
283.08856	1.0
283.26413	15.1
304.01556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
57.03330	1.7
59.01260	6.2
69.03328	4.1
70.98889	3.3
71.01243	5.0
73.02812	2.4
79.05410	1.4
83.04900	3.0
85.02807	2.7
93.03331	1.8
95.04864	1.3
101.02328	3.4
103.05385	1.5
105.06979	4.7
107.04856	1.7
109.02846	1.6
113.02332	1.1
117.07021	2.7
118.65544	1.4
120.05702	1.6
121.06439	2.0
122.03616	1.3
128.63197	1.4
133.06526	2.2
135.08067	19.7
143.08479	1.4
147.08055	1.7
149.09618	1.3
157.10104	1.8
159.08066	1.1
167.07097	1.5
169.10104	2.5
179.07030	1.8
181.10158	1.6
183.11720	5.4
185.13297	40.4
186.13600	3.9
187.11209	2.7
199.11179	2.6
200.01196	1.8
201.12854	1.9
203.14345	13.5
205.12331	1.5
217.15816	2.1
219.02948	2.7
229.12317	11.3
234.05328	2.0
235.17139	2.0
247.13417	10.3
249.15039	3.9
261.14975	7.7
279.12643	3.6
279.16016	100.0
279.22861	7.1
280.16348	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.60962	0.5
59.17202	0.5
70.87035	1.1
70.87382	0.8
86.44220	0.6
96.36415	0.5
243.81194	0.6
279.23303	100.0
280.23645	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	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01762	2.4
57.03322	22.8
58.48838	1.4
59.01249	18.9
59.22941	1.4
65.03824	7.2
67.83048	1.6
69.03326	2.1
69.50767	8.7
69.51176	3.0
71.01228	3.3
71.04897	2.7
76.00539	1.5
81.03287	2.2
83.01221	2.3
83.04897	22.1
85.02808	2.8
87.00748	24.0
93.03312	3.5
95.04891	7.5
97.02791	2.1
97.04761	1.5
98.03603	2.3
99.94971	1.6
101.05967	1.9
109.06447	2.1
111.04379	9.1
111.08030	6.7
113.02310	2.8
119.04942	2.7
119.08503	2.6
121.06490	13.1
122.03629	2.1
123.08051	47.2
124.05174	3.5
129.06956	3.0
134.03682	1.7
137.05913	2.3
137.09610	6.4
138.06769	2.8
139.07556	8.2
145.10141	6.0
149.09711	1.8
151.07536	5.9
153.09143	4.5
158.89960	1.6
169.08768	2.9
169.10138	6.0
171.11703	48.2
172.12001	2.7
175.11203	1.9
179.92444	2.0
189.12798	14.4
200.19472	1.6
201.12820	15.0
207.13907	10.4
219.13896	7.9
237.14915	64.1
237.17281	3.7
238.15247	6.2
243.01428	1.5
281.13931	100.0
282.14294	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	281.1394
Annotation	12-Hydroxyalliacolide
Peak:m/z	Relative Intensity
57.03310	3.1
58.00459	2.9
58.10736	0.9
59.00958	1.6
59.01247	22.2
65.03835	2.1
67.01748	1.1
69.03316	3.0
69.20244	3.0
69.20666	8.1
71.01253	7.1
72.99181	28.0
73.02821	63.2
79.05405	1.2
81.03298	1.0
83.04895	41.3
84.05211	1.4
84.70209	1.2
85.02836	9.7
87.00723	1.5
89.02332	1.6
91.81106	0.9
93.03347	1.7
95.04919	5.6
96.95895	2.3
97.02832	1.5
97.06466	4.6
98.03793	1.0
98.20628	2.1
99.04398	2.2
101.02315	4.1
103.00249	56.2
105.06976	10.3
106.04156	1.2
107.04897	3.3
109.02798	1.0
109.06472	4.9
111.04396	1.2
111.08032	1.3
115.65258	1.0
119.08526	2.9
121.06473	2.9
123.08044	9.5
131.12843	1.0
133.02811	1.2
133.06470	3.9
135.04382	1.7
135.08086	5.6
137.05960	1.6
139.07536	4.8
159.07994	1.7
161.04379	1.2
161.09618	3.3
166.11745	1.1
171.11693	3.4
173.04376	1.0
173.13297	2.4
175.11211	1.8
175.53540	2.3
177.05482	2.1
179.03664	1.1
187.11298	1.9
189.12782	22.1
190.13039	1.3
191.05458	1.3
191.14191	1.1
198.17729	1.0
201.12785	15.0
202.13214	1.5
203.18867	1.1
211.13329	2.2
217.12242	2.9
219.13882	15.2
231.10233	2.4
233.11797	19.5
234.12216	1.6
235.13234	1.2
237.05542	1.1
237.14819	2.4
245.11777	4.2
251.12856	41.6
252.13284	2.1
263.12845	19.2
281.13947	100.0
281.24835	4.1
282.14325	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95507	0.2
57.84284	0.2
58.70705	0.2
59.01241	1.6
71.01238	0.4
83.04887	0.4
98.20596	0.6
104.80161	0.2
119.04951	0.3
127.07509	0.4
138.41786	0.2
171.10390	0.2
182.12958	0.2
195.70474	0.2
204.31340	0.2
233.22824	0.6
259.20563	0.3
259.42944	0.2
275.20016	0.6
277.21704	100.0
278.22055	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01255	0.6
62.48372	0.4
72.83136	0.5
83.03628	0.4
97.02597	0.4
119.52446	0.4
128.74219	0.5
135.85805	0.4
137.01566	0.4
174.44026	0.4
200.39911	0.4
233.22855	0.5
259.56439	0.4
277.21713	100.0
278.22040	10.1
278.46848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0876
Annotation	Xestodecalactone B
Peak:m/z	Relative Intensity
57.03326	26.8
59.01244	5.9
60.93426	1.3
65.03831	5.8
67.01770	3.2
69.03323	3.3
71.01250	3.8
71.50133	2.5
79.05414	1.8
79.81353	1.5
81.03336	73.0
82.03654	1.8
83.01272	6.8
83.04902	11.5
90.54865	1.6
90.98469	1.4
92.86756	1.6
93.03344	11.2
95.04910	6.5
97.02817	2.0
99.04425	3.7
101.02334	1.5
101.40720	1.6
105.06994	9.7
107.04205	3.4
107.04910	40.5
108.02061	3.1
109.02841	9.0
109.06480	18.0
111.04420	14.8
113.18510	1.4
119.04926	3.6
119.08523	2.2
119.37357	1.3
121.06489	4.5
122.03629	6.1
123.08053	9.7
133.04964	6.3
133.06511	3.8
135.04478	1.7
137.05994	8.7
145.06491	2.8
147.08078	12.8
149.06015	5.0
151.07553	3.4
159.04434	1.6
161.09650	6.8
165.09145	2.2
171.08069	2.6
174.06750	5.3
180.62952	1.7
185.06116	2.3
189.09113	9.2
207.10216	95.7
208.10544	6.7
217.08832	2.0
247.06024	1.9
251.09241	52.5
252.09610	2.4
264.06268	1.7
270.14020	1.3
279.08768	100.0
279.11804	4.5
279.23318	3.3
280.09155	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Hymenoflorin
Peak:m/z	Relative Intensity
57.03322	74.9
58.03639	1.4
59.01241	2.7
62.37890	1.5
65.03834	7.5
67.01745	3.2
69.03311	4.2
69.98862	7.5
71.01244	2.5
73.02782	1.7
79.05398	4.8
81.03338	2.1
82.70831	1.3
83.04893	8.2
87.37257	1.6
91.05413	8.4
93.03331	12.8
95.04905	2.1
101.02317	2.0
105.06978	53.0
106.04128	14.3
107.04912	65.2
108.05244	2.0
109.02865	2.0
109.06465	4.5
109.57811	1.4
119.04929	8.7
119.05617	1.8
119.08544	2.4
121.02829	3.1
129.07033	1.6
132.05759	1.6
133.06540	7.0
133.09134	2.8
133.10129	50.6
134.10550	2.2
135.08067	8.7
138.03120	5.6
139.07541	2.8
143.08513	2.2
145.06447	2.3
147.08055	14.6
155.08609	3.0
157.10123	18.0
159.08072	21.1
159.11687	3.1
160.08641	1.7
161.09633	3.7
173.09644	4.4
175.11209	47.0
175.12733	2.3
176.11514	3.4
177.09114	9.5
183.08043	6.4
185.09642	6.4
188.08467	2.5
203.10765	10.9
214.69086	1.5
219.10214	7.3
235.09401	1.7
247.09702	15.8
251.12791	12.4
279.12375	100.0
279.23245	4.5
280.12695	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	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
57.03323	14.9
59.01242	2.5
69.03327	1.9
71.01247	2.7
71.50115	1.2
81.03325	1.4
83.04881	3.7
87.00753	1.1
90.98466	4.3
95.04913	3.7
97.02840	8.6
97.06454	3.0
101.52699	1.0
107.04874	2.1
109.02835	6.7
109.06461	7.9
111.04410	5.6
115.08926	1.1
117.81618	1.1
119.08537	3.7
121.06442	5.3
122.03613	16.2
123.04412	3.2
124.05205	18.0
125.05997	8.6
129.07314	2.9
135.04414	1.7
137.05980	14.9
137.09576	1.4
139.07545	100.0
140.07881	2.9
144.10846	1.2
147.08163	6.2
161.09621	1.7
162.06700	1.4
163.07516	3.0
168.07816	27.7
169.08614	2.3
171.08046	2.1
173.04355	1.3
173.06354	1.5
175.07530	1.7
175.11249	1.7
177.01872	1.6
177.09123	1.3
177.12766	2.6
180.07864	1.4
185.09668	1.8
187.11203	19.7
189.09154	1.8
190.09911	4.3
202.07794	1.2
205.12282	42.6
206.12567	2.3
217.12410	2.5
231.10158	1.3
235.09883	1.5
235.13358	5.2
249.11375	3.1
279.08820	4.2
279.12350	12.2
279.23297	2.8
280.12604	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	275.0924
Annotation	Xestomanzamine A
Peak:m/z	Relative Intensity
59.01253	0.2
61.06130	0.2
70.21251	0.3
70.21614	0.7
71.90009	0.2
77.03850	0.3
89.03846	0.4
93.03315	0.4
95.04916	1.0
97.06468	5.9
97.14388	0.2
105.03355	3.4
106.04156	1.5
109.02815	0.3
117.03361	0.5
121.02838	0.9
121.79351	0.2
123.04365	0.3
132.02094	0.3
133.02853	25.4
134.03633	100.0
135.03874	3.4
137.02353	3.7
139.03949	1.3
145.02895	1.8
149.02332	1.0
150.03099	0.5
151.03920	0.4
158.03566	0.2
161.01085	0.4
161.02361	5.2
162.03137	17.8
163.03569	0.9
177.01859	12.9
178.02632	7.6
179.03189	0.4
187.07607	0.2
203.03415	0.3
203.10652	0.2
231.10219	1.7
275.09244	42.0
276.09561	3.7
276.12503	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	276.918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22119	1.2
50.69149	1.3
59.01241	1.8
69.50493	4.7
69.50923	5.3
74.60902	1.2
78.95770	6.1
92.04928	9.4
96.95889	13.0
96.96835	1.9
108.56585	1.4
112.89912	1.2
136.03925	2.8
136.93906	94.9
137.93953	6.0
178.94984	2.5
179.55994	1.3
192.26288	1.4
214.68466	1.2
216.89613	100.0
217.89632	8.5
221.81815	1.4
233.12869	5.9
234.90694	69.0
235.90753	3.1
251.14008	2.1
258.47379	1.5
276.91888	3.3
276.98865	6.3
277.21689	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	277.1082
Annotation	isosecotanapartholide
Peak:m/z	Relative Intensity
53.14386	4.7
56.58708	5.1
57.03325	68.5
59.01243	10.2
64.91911	5.3
65.03835	7.0
68.99699	5.3
69.94948	29.8
73.55483	6.1
79.05411	7.3
79.91180	5.1
81.03329	18.8
83.04902	19.9
85.02832	13.5
87.00717	6.6
91.05413	16.7
91.57137	5.4
93.03310	8.9
95.04887	14.4
97.02796	5.6
99.04420	15.7
102.78220	6.0
105.06980	10.7
107.04919	31.0
108.02015	6.2
109.02831	12.0
109.06441	10.0
111.04383	6.7
118.61414	5.1
119.04922	16.5
121.02820	14.2
121.06512	27.6
122.03524	6.2
123.04404	21.1
123.08050	10.9
125.02338	17.1
131.04913	8.7
133.06454	22.1
134.03697	7.5
135.04399	24.1
135.08067	12.0
136.04793	6.8
136.58647	5.2
137.02376	7.5
145.02849	9.6
145.06479	17.2
147.04443	5.8
149.05986	17.1
157.06480	20.8
159.04440	32.8
161.02359	14.7
161.09631	7.1
163.03848	10.4
163.07504	15.5
171.08060	12.9
173.05992	8.2
173.09624	17.7
175.03989	6.3
175.07565	15.9
177.05482	65.5
177.09109	7.4
178.05872	6.4
187.11299	9.6
189.05495	9.2
189.09103	11.9
191.10719	8.0
201.05473	13.1
202.06392	5.5
205.08595	5.1
207.06493	8.2
215.10796	29.4
233.11739	13.5
246.76186	5.5
259.09735	19.9
277.10754	100.0
277.14102	7.3
277.18741	6.4
277.21658	33.2
278.13937	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	277.1293
Annotation	N-Benzoyl-D-arginine
Peak:m/z	Relative Intensity
52.56330	0.5
55.01757	0.9
57.03317	1.2
57.72322	0.5
59.01251	38.8
68.07413	0.6
70.25474	0.5
70.39568	1.9
71.01252	10.7
72.99182	1.5
73.02821	13.1
83.01260	3.5
83.28340	0.5
85.02827	7.3
87.00729	1.4
89.02313	0.7
96.52479	0.5
97.02832	1.1
99.00768	2.4
101.02332	16.4
113.02333	2.3
117.03339	0.6
119.04916	4.9
124.01542	1.5
125.02285	0.6
138.05495	1.5
140.07109	1.1
145.02823	1.8
161.04469	9.5
163.03937	4.2
193.37170	0.5
235.11830	100.0
236.12201	5.1
241.86646	0.5
277.07315	0.6
277.21729	1.3
286.97592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01051	2.2
59.01381	4.3
60.97504	0.9
69.20203	4.1
69.20620	3.1
71.01349	1.0
80.31577	0.7
117.03465	1.2
119.04923	3.9
121.03255	4.0
132.55092	0.7
145.02983	1.3
147.08368	5.2
161.04692	0.8
163.03905	3.5
165.00392	11.4
165.01642	1.0
181.00000	1.7
189.03993	0.9
191.05592	11.3
191.07196	1.1
205.07120	1.8
205.15962	1.0
231.08687	1.5
233.10300	100.0
234.10422	8.5
277.09451	2.2
277.16507	79.3
277.21417	33.9
278.16666	7.6
278.21960	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.34452	0.3
59.01223	0.4
71.49328	0.3
71.49783	0.4
73.62566	0.3
83.04961	0.3
108.02041	1.1
109.02833	0.9
124.69635	0.3
125.02324	2.0
132.55382	0.3
151.00305	0.3
168.27023	0.3
225.22160	4.3
241.04965	0.6
249.06464	0.3
253.21777	1.4
269.21292	1.1
271.02594	0.5
271.06070	0.7
271.22772	100.0
272.23138	9.0
278.52335	0.3
288.77499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.74973	0.6
55.05424	0.6
56.69504	0.7
58.96383	0.6
71.01232	0.6
71.49034	0.7
102.21072	0.6
108.02042	0.9
109.02814	1.0
110.73149	0.6
116.98140	0.8
125.02335	3.2
126.13009	0.7
151.00241	0.7
197.19156	0.9
220.25089	0.7
223.20676	3.6
225.22188	61.8
226.22513	4.9
241.05006	0.7
253.21617	1.4
271.06091	1.3
271.22769	100.0
272.23080	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	275.0925
Annotation	Notoserolide D
Peak:m/z	Relative Intensity
69.38613	1.7
69.39053	1.9
74.60371	0.4
74.89401	0.4
77.03828	5.1
80.67384	0.4
89.03828	4.3
93.03336	1.0
95.04893	7.8
97.06457	3.3
105.03342	27.1
106.03596	1.0
106.04212	0.8
107.01299	0.8
107.04896	0.6
109.02833	0.6
117.03347	9.6
119.04971	0.9
121.02830	2.4
123.04397	5.7
132.02098	1.8
133.02850	57.9
134.03633	100.0
135.04430	50.0
136.04758	1.8
137.02345	6.8
139.03867	2.2
145.02878	2.7
145.06474	1.5
149.02292	2.6
158.03711	0.5
159.04451	1.4
161.02357	8.0
162.03137	28.7
163.03444	0.9
171.04332	0.6
172.05211	1.7
173.05898	1.0
177.01848	7.3
178.02626	13.7
179.02986	1.0
187.07567	4.5
201.05421	0.5
203.10719	2.4
205.08595	0.5
213.09137	0.5
231.10219	85.8
232.10567	6.6
275.09247	95.5
276.06812	0.3
276.09537	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.3
58.00451	2.4
59.01250	32.9
69.03326	0.9
69.22049	0.5
69.22348	4.9
71.01251	12.2
72.99181	2.4
73.02811	2.7
75.00740	4.3
81.03328	0.7
83.04890	3.3
83.10703	0.4
84.02029	0.6
87.00716	0.7
89.02314	12.8
91.52139	0.4
97.06466	1.6
98.20617	1.0
99.04385	0.9
102.85560	0.4
108.63510	0.5
123.08047	0.9
125.09684	0.5
141.09093	0.8
145.12262	0.4
177.12787	1.6
179.14336	7.6
180.14716	0.6
191.14340	0.8
193.12273	0.6
195.13725	1.0
203.14413	0.7
207.13823	0.5
209.15427	0.9
219.13853	9.4
220.14090	0.5
221.15379	3.9
233.15482	1.1
235.13391	0.7
237.14958	5.7
238.15231	0.8
251.16547	1.6
269.17575	100.0
269.20871	4.1
270.17889	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	271.0612
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
59.01241	0.9
63.02266	10.9
65.00194	18.9
66.00505	0.5
69.33249	2.6
69.33672	1.4
73.49252	0.5
83.01256	14.4
93.03335	15.3
107.01270	30.2
108.02135	0.6
108.99208	0.8
109.02844	0.8
119.04913	87.1
120.05209	2.9
121.02836	0.8
125.02305	2.4
133.02899	0.8
137.02315	0.6
143.04951	1.6
145.02837	1.1
149.02400	0.6
151.00272	75.7
152.00580	2.5
161.06023	1.6
165.01874	4.4
169.01347	3.8
177.01852	11.1
178.02292	0.5
185.06038	1.5
187.03899	2.3
199.03828	0.7
226.07478	0.6
227.07095	1.0
229.04959	0.9
235.16994	0.8
241.04857	0.5
241.09904	1.0
253.04825	0.6
256.07520	0.5
271.02661	6.7
271.06097	100.0
271.19119	5.1
271.22360	0.8
272.06442	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	269.1295
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
54.06299	0.6
57.03316	1.3
59.01255	2.9
62.58411	0.6
62.96268	0.7
71.01250	2.4
71.05733	0.6
71.49718	0.7
73.02824	3.1
85.02819	1.0
89.02316	0.9
101.02282	1.5
117.03344	0.8
118.71297	0.6
120.04430	2.6
121.02842	0.5
148.43105	0.6
149.02365	0.7
149.15839	0.6
161.04449	1.5
177.12798	1.4
186.95569	0.8
195.17137	0.5
195.65414	0.6
197.02672	0.8
198.02954	0.7
211.08725	2.3
223.97495	0.6
225.06766	0.6
225.10307	5.2
225.22122	0.7
226.12480	1.6
239.08139	3.4
239.11816	0.6
240.08736	1.1
241.13457	3.6
251.11974	0.7
253.09807	3.3
254.10579	11.8
255.10875	1.1
269.04709	4.3
269.12946	100.0
269.17639	6.8
269.21210	15.9
269.24786	3.1
270.13248	8.5
270.21512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45243	0.4
57.03325	18.6
58.00480	0.9
59.01249	2.8
69.03330	2.2
70.93137	0.4
71.01250	5.4
71.04866	0.5
71.50751	0.6
71.60146	0.4
72.01604	0.4
73.02818	100.0
74.03159	1.3
87.04360	0.5
90.53375	0.4
97.06517	0.4
98.03643	0.5
107.08493	0.4
109.06454	0.8
109.99508	0.4
117.28346	0.5
125.09610	2.5
139.11169	0.6
159.11697	0.5
177.12819	2.4
191.14412	0.5
195.13873	2.5
209.15437	1.3
215.14445	0.4
269.04440	0.5
269.17575	45.1
269.20737	1.4
270.17950	4.1
284.94714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80593	0.5
57.03308	2.3
58.00464	3.2
59.01247	51.1
60.01592	0.6
69.03323	1.5
69.36263	2.6
69.36677	1.5
71.01254	17.0
72.99174	2.7
73.02815	4.6
75.00735	3.3
81.03322	1.2
83.04893	36.0
84.02023	0.6
84.05248	0.9
85.99947	0.6
87.00746	0.6
89.02315	17.4
95.04903	0.6
97.06467	5.3
99.04363	0.6
109.06463	1.6
119.08549	4.8
123.08040	0.7
137.09619	0.8
141.09091	0.9
145.10147	0.7
179.14328	7.2
185.13286	0.5
187.14806	0.7
189.12883	0.5
191.14342	2.3
195.13696	0.6
201.12802	0.6
203.14256	0.8
207.26192	0.6
209.15395	1.7
215.14391	1.6
219.13855	10.3
221.15440	3.8
224.11128	0.6
233.15471	1.6
237.14923	6.5
238.15292	0.8
251.16507	3.4
251.42435	0.6
269.17575	100.0
270.17941	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45600	15.4
59.01254	100.0
70.35276	60.5
71.01251	24.7
73.02791	12.3
74.83449	13.0
89.02320	19.3
94.62552	12.7
101.02309	19.3
106.16412	12.4
113.02293	13.2
172.43700	14.2
194.99388	11.7
200.20992	14.6
224.27174	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	5.9
58.00465	3.8
59.00962	6.1
59.01250	100.0
70.35458	15.2
71.01250	55.5
72.55575	3.6
73.02810	15.0
73.71984	3.6
83.01253	7.8
85.02821	24.3
87.00726	4.6
87.24343	3.7
89.02324	29.5
95.01199	4.1
101.02312	48.6
105.05434	6.1
113.02334	29.0
114.85370	4.2
119.03356	7.7
125.59716	4.4
131.51924	3.8
132.24570	4.1
135.03000	16.3
155.92099	4.0
161.04498	23.2
169.26637	3.9
187.44025	4.0
202.90880	3.9
259.44174	3.7
267.07028	7.4
267.10809	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.47667	0.4
56.97804	0.5
57.03326	2.8
59.01249	100.0
60.01576	0.8
63.70087	0.5
69.20319	4.9
70.73851	0.4
71.01265	2.0
71.04900	2.2
73.02833	1.2
79.95602	0.9
83.04894	1.7
85.02840	1.1
87.00764	2.1
89.02329	1.3
93.06985	0.7
98.97253	0.5
101.02349	1.6
101.39362	0.4
103.94222	0.4
105.06950	0.8
113.02323	0.9
140.93164	0.5
149.06058	0.9
161.09639	0.7
161.13263	3.1
163.11229	2.0
187.11226	0.9
205.12375	1.3
207.10257	2.1
211.13313	1.1
223.13347	37.9
224.13663	2.7
236.09596	1.0
267.08865	0.5
267.12350	3.2
267.16019	2.0
268.06839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.7
57.50719	0.5
58.02853	6.6
59.01253	12.7
70.02851	38.8
71.01252	3.2
71.02368	2.1
71.03165	0.4
71.50734	0.8
72.00777	0.5
72.99126	0.5
73.02806	1.5
77.27784	0.5
81.03339	1.0
83.04888	0.7
85.02838	1.0
86.02364	2.6
87.05513	0.6
89.02321	0.9
93.03352	0.5
95.02378	8.2
96.00790	3.3
96.08081	3.3
97.06489	0.5
98.02353	7.4
99.00753	0.5
99.04400	1.3
101.02332	1.5
111.01896	5.3
113.02309	0.5
113.03453	18.0
114.01855	100.0
115.02166	1.3
123.04446	0.6
125.02312	0.7
126.08104	0.5
129.02988	1.0
131.03514	0.9
131.04506	10.1
131.05429	0.9
134.03616	0.6
148.26823	0.5
161.04480	0.7
161.06003	0.6
164.14388	1.4
177.27699	0.5
184.95801	0.5
195.08121	0.5
207.14949	14.4
208.13347	2.6
208.15242	1.0
223.13315	4.6
231.14954	1.4
249.11351	1.8
249.16043	19.9
250.16476	1.3
258.69348	0.5
267.08777	1.9
267.17139	72.6
268.09732	0.6
268.17502	4.3
280.67068	0.5
281.84958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22175	0.7
59.01262	1.2
59.06269	0.7
60.54023	0.7
67.00317	0.7
71.01248	1.1
71.49097	1.1
73.02840	1.3
74.71741	0.8
89.02335	1.4
93.03339	41.6
94.03676	1.7
104.07018	0.7
131.85027	0.8
137.02353	100.0
138.02690	3.0
149.04463	2.7
195.06589	1.7
240.88029	0.8
269.04440	1.8
269.21222	9.7
269.24762	2.6
272.52670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	8.3
57.03326	5.1
58.00470	3.7
58.47405	0.6
59.01250	90.8
68.96384	0.5
69.03335	2.3
69.53107	4.2
71.01254	50.0
72.01575	1.2
72.99177	5.3
73.02820	100.0
74.03167	1.3
83.01253	13.1
85.02822	28.5
87.00748	9.9
89.02317	1.9
95.01281	2.3
97.02843	2.5
98.20538	1.2
99.00758	7.4
101.02326	60.7
103.36652	0.6
104.14777	0.6
107.04879	0.7
108.42397	0.7
112.01568	0.9
113.02334	8.0
121.83817	0.6
124.01520	1.2
124.13024	0.7
136.07417	0.6
161.04468	82.2
162.04794	2.1
237.55333	0.7
246.65855	0.6
260.77914	0.6
269.10300	57.7
270.10672	2.8
293.64743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	10.0
57.03318	4.1
58.00460	4.5
59.01250	84.4
60.01601	1.5
64.01248	1.2
65.31905	1.3
69.42550	11.1
71.01254	67.3
72.99189	4.3
73.02819	100.0
83.01260	14.7
85.02830	36.8
87.00756	10.1
89.02325	2.3
90.65685	1.6
95.01274	2.0
97.02833	3.7
99.00772	7.7
101.02323	69.4
107.04842	1.9
113.02331	12.5
146.47192	1.5
149.05693	1.3
161.04472	95.5
162.04802	3.2
207.82265	1.3
269.04337	2.1
269.10306	58.4
269.18118	2.4
269.21207	10.1
270.10608	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60298	1.0
55.01756	7.9
57.03311	4.7
58.00456	4.2
59.01250	85.4
60.01590	1.1
69.03313	1.4
69.27336	1.0
71.01254	67.8
71.49754	1.5
72.99187	9.9
73.02819	100.0
74.03158	1.6
83.01260	13.9
84.02060	0.9
85.02823	31.0
87.00747	15.1
95.01263	1.7
97.02834	2.2
99.00750	7.4
101.02326	79.9
102.02669	1.0
107.04844	1.0
112.01492	1.1
113.02291	8.1
113.96816	1.2
123.08051	1.4
136.05159	2.1
140.65430	1.1
143.19427	1.2
161.04460	99.1
162.04799	3.0
176.16774	1.1
195.06552	3.2
200.95465	1.0
269.10300	73.7
269.17731	2.0
269.21222	13.5
269.24554	2.0
270.10645	4.8
270.21707	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
60.50191	9.6
69.87115	37.6
71.01247	62.5
73.02805	13.7
73.89806	10.4
85.02809	26.4
87.00751	24.7
89.01813	8.9
89.02328	35.1
96.05369	10.4
99.00739	12.9
101.02330	41.3
113.02338	69.7
119.03347	12.3
161.04443	20.4
168.95293	10.7
208.61145	10.5
209.64946	10.5
267.07187	84.3
267.10916	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	265.1445
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
57.03316	1.5
59.01246	8.3
59.98376	1.3
64.24239	1.3
69.14612	2.6
69.15015	14.3
71.01257	6.3
71.27578	1.4
73.02810	2.4
78.89066	1.4
78.95759	2.2
83.01241	2.8
83.04897	3.1
85.02814	4.3
89.02335	1.4
95.04893	2.2
99.04391	35.9
101.02280	3.2
102.43369	1.2
103.03870	1.6
107.04902	3.1
109.06437	1.4
111.00751	3.1
111.04364	2.4
113.02269	1.4
116.10463	1.3
123.04416	1.5
128.16768	1.3
129.59723	1.3
134.04608	2.2
135.04398	5.2
149.05815	1.5
174.99779	1.3
177.05461	2.2
179.03438	1.8
203.14392	14.0
221.15408	100.0
222.15767	5.8
247.13385	3.3
265.07043	2.6
265.10974	4.3
265.14395	46.2
265.17450	2.7
266.11414	1.4
266.14664	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
51.62067	0.6
57.03321	18.2
59.01251	4.1
64.99714	0.5
67.15253	0.5
69.03325	1.2
71.01250	8.1
73.02843	0.5
78.95782	2.1
83.01255	0.5
83.04914	1.1
85.02824	0.7
86.22323	0.5
87.39129	0.4
89.02312	0.9
96.95877	0.9
97.32512	0.6
101.02338	1.4
103.03903	0.5
113.02362	0.8
114.17453	0.5
133.04912	0.5
135.04393	1.9
139.07492	0.5
163.03906	0.9
193.15846	1.5
195.13841	0.9
203.10760	0.6
221.19044	6.1
222.19334	0.7
247.13091	0.7
265.18066	100.0
266.11398	0.5
266.18396	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	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03329	6.2
59.01247	33.3
70.35075	9.7
71.01254	40.8
72.99184	9.6
73.02808	4.2
75.00736	16.2
79.04369	3.9
81.03367	3.8
83.62979	4.3
85.02815	47.2
87.00758	40.7
89.02301	12.9
92.95840	7.2
99.00756	12.3
101.02305	13.4
103.00199	5.1
106.11402	4.2
113.02332	32.7
117.01801	11.3
144.62822	3.8
147.02977	4.4
176.96234	3.8
182.40244	4.0
191.05540	28.4
191.77351	4.2
206.99019	5.2
231.04938	5.1
249.06064	4.7
267.07181	100.0
282.22903	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	265.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.3
58.00467	2.2
59.01242	8.2
69.03313	2.7
71.01258	6.1
73.02820	21.2
75.34401	1.7
83.04894	100.0
84.05254	2.0
85.02821	2.6
93.03313	3.7
95.04918	20.4
97.06453	7.0
100.61695	1.8
101.02296	2.3
107.04898	2.5
109.06459	7.0
119.04863	2.5
121.06466	4.7
123.08067	2.5
125.09595	4.2
134.04616	2.3
135.04428	3.5
135.08061	4.2
137.06004	2.6
149.05998	4.7
179.07019	6.3
179.14297	5.2
185.13261	3.3
189.12808	4.3
191.14444	2.2
193.12323	8.4
201.12749	4.2
203.14354	2.9
205.12242	1.9
207.06493	2.7
207.10289	1.9
207.13834	7.0
219.13872	8.9
221.15482	3.4
223.13332	30.7
229.12332	8.3
233.11775	54.2
234.12144	3.7
235.06117	3.8
235.13353	62.1
236.13541	3.4
237.14929	15.8
247.13231	11.4
248.13884	1.9
250.08450	5.5
251.02330	3.8
253.14447	5.0
265.10831	6.6
265.14453	41.4
266.04758	2.9
266.14792	3.7
279.12363	18.0
280.12790	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93358	1.1
57.03322	7.1
57.97916	1.3
58.00472	2.3
59.01247	9.3
64.37149	1.2
68.99688	1.2
69.03329	2.4
71.01242	7.4
71.50991	2.1
72.99171	1.9
73.02820	21.6
79.71228	1.2
81.03329	1.3
83.01228	1.3
83.04897	100.0
84.05231	1.5
85.01388	1.3
85.02806	4.2
89.02318	1.9
93.03343	2.8
95.04901	18.0
97.02829	2.2
97.06461	4.3
99.04382	1.2
101.02319	2.1
103.00226	3.0
107.04921	3.2
109.06475	6.0
110.58587	1.1
111.00764	1.9
111.07981	1.4
113.02308	1.1
119.08501	1.3
121.06463	3.6
123.08015	4.0
125.05979	1.7
125.09612	4.9
126.70949	1.3
127.07539	1.2
133.02885	1.8
133.10114	1.2
134.03197	2.6
134.04607	2.4
135.04391	4.6
135.08052	3.7
137.05952	1.6
139.07484	1.3
149.05986	3.7
149.09647	1.9
163.03941	2.4
163.11185	3.4
177.05518	1.6
177.12688	2.4
179.03542	1.8
179.07054	9.3
179.14333	4.8
185.13272	3.3
189.12784	3.9
191.07018	1.3
191.14331	3.2
192.04128	1.4
193.12283	7.0
201.12761	2.8
203.14301	2.2
206.02165	1.9
207.06583	6.6
207.13832	7.6
217.12303	2.8
219.13847	5.6
221.08282	1.2
222.08951	1.3
223.13358	25.6
224.13680	1.4
229.12285	10.3
233.11809	42.8
233.14099	2.4
234.12059	3.5
235.06036	5.1
235.13371	50.3
236.13696	4.0
237.14958	12.1
247.13382	11.9
250.08441	9.5
251.02167	4.7
253.14532	1.4
265.06879	1.5
265.10910	6.3
265.14438	34.6
265.17493	2.4
266.04636	1.9
266.14725	2.8
279.12369	19.0
280.12582	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1083
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
57.03051	1.4
57.03326	20.0
59.01252	6.7
60.99174	0.8
65.03846	1.8
67.01768	9.7
68.99666	1.1
69.03332	8.8
70.89140	2.3
71.01256	9.8
71.04897	1.3
79.05405	8.5
81.03344	2.5
83.01254	6.8
83.04900	29.5
85.02822	3.7
89.02345	1.3
93.03332	8.8
95.04901	5.6
97.02837	2.1
97.06470	1.9
99.04389	1.7
105.06991	8.1
107.04914	62.8
108.02039	1.3
108.05195	1.2
109.02831	2.0
109.06480	13.6
110.06853	0.8
111.00768	15.8
111.04397	7.5
113.02408	0.9
119.04932	8.1
121.02840	4.3
121.06471	5.1
122.03557	1.3
123.04437	2.3
123.08045	8.2
125.05985	6.5
133.06444	4.8
133.10149	3.6
133.25771	0.8
135.04442	6.4
135.08055	2.5
137.06006	1.4
139.03905	7.0
143.04941	2.3
144.05792	1.2
145.06490	1.3
147.08122	2.5
149.05997	1.1
149.09637	2.1
150.06799	3.8
151.07574	5.0
153.05498	1.2
157.06616	1.3
157.10173	1.4
159.08064	28.8
159.09395	1.6
160.08429	1.3
161.09634	7.7
163.03912	1.0
163.07594	2.9
165.09180	1.3
173.09726	1.1
175.11176	4.0
177.09138	21.6
177.10681	1.4
179.10622	1.5
185.09610	1.0
190.10406	0.8
193.12326	1.1
203.10759	5.2
216.77881	0.8
219.10374	1.1
221.11801	5.4
225.05997	0.9
247.09691	1.2
247.13228	1.2
265.10828	100.0
265.14233	4.8
266.11206	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	265.1081
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
55.01756	6.9
57.03051	4.1
57.03323	68.2
59.01252	11.0
59.65569	2.4
65.03812	5.4
65.08392	2.4
67.01762	19.4
68.99693	4.2
69.03331	25.3
69.53899	15.9
71.00850	4.6
71.01250	95.3
71.04885	5.5
78.85876	2.0
79.05418	18.7
81.03332	5.3
83.01257	35.4
83.04897	50.9
84.02057	3.0
85.02817	15.2
93.03349	9.3
95.04878	11.6
97.02842	5.5
97.06465	10.4
98.03638	4.2
98.19826	4.4
99.04409	8.5
105.06982	16.5
105.07578	2.4
107.04909	87.6
108.02078	2.8
109.02833	3.8
109.06470	11.0
111.00766	40.8
111.04401	32.6
119.04921	6.8
119.08544	3.1
121.02862	4.8
121.06472	9.8
123.08071	30.3
125.05972	4.4
133.06493	11.6
135.04411	37.7
135.08057	5.6
135.87860	2.3
139.03932	23.3
143.04921	2.3
145.06499	4.6
146.83978	2.3
147.07999	3.8
149.06017	4.8
150.06776	21.1
151.07552	4.8
155.55705	2.6
157.10118	5.1
159.08113	11.6
161.09656	3.4
163.11263	4.2
175.11229	7.3
177.09131	10.8
179.06363	2.2
179.10747	2.6
190.20915	2.7
203.10764	4.4
221.11795	10.8
265.10812	100.0
265.14273	7.6
266.11096	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
56.30794	1.1
59.01244	5.7
60.81459	1.1
71.01239	1.8
71.05263	1.6
71.05586	2.0
85.02828	1.3
113.02325	1.9
175.03819	1.1
263.20148	100.0
264.20538	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.0
56.35521	1.0
56.47296	1.1
57.25888	1.2
59.01249	37.2
66.41605	1.1
71.01247	8.1
71.48284	0.9
71.48661	1.8
75.00747	1.6
85.02834	1.9
87.00746	3.1
89.02313	4.5
101.02343	3.2
103.03867	2.0
113.02291	1.2
117.05460	100.0
118.05794	2.4
118.06705	1.0
119.03391	2.5
129.01805	1.9
130.81433	1.0
133.04956	30.5
133.07895	1.0
135.04721	2.5
135.75450	1.0
147.02893	7.3
165.03934	1.4
265.09320	17.6
282.89355	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.1
59.00957	3.9
59.01252	62.2
71.01246	3.9
71.40453	4.7
73.52437	2.4
75.00733	3.1
85.02805	3.9
89.02308	2.2
101.14060	2.3
111.27388	2.0
117.05461	100.0
132.97646	2.5
133.04950	4.9
135.04472	3.3
147.02875	4.2
157.88670	2.3
166.34091	2.1
265.09198	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	265.1081
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
55.01746	4.8
57.03101	2.5
57.03326	29.0
59.01249	8.2
67.01742	11.1
68.69691	2.7
69.03314	10.7
71.01246	12.4
71.50304	3.4
72.23771	2.5
79.05408	10.6
83.01259	31.8
83.04902	51.0
85.02826	4.4
89.02331	4.4
93.03349	13.7
95.04898	8.1
97.06450	3.8
100.34991	3.3
105.06956	5.0
107.04900	66.8
109.06432	17.3
111.00764	36.7
111.04411	10.7
111.59518	2.8
119.04911	8.9
121.02840	8.1
121.06511	6.2
123.08046	5.9
125.05981	8.4
133.06456	6.1
133.10109	4.3
135.04431	14.5
135.08058	5.3
137.05901	3.9
139.03896	6.6
143.05017	3.2
147.08167	3.6
150.06746	3.6
151.07544	8.6
155.03462	2.7
156.42795	2.9
159.08055	28.7
161.02446	3.2
161.09625	7.5
174.45540	2.8
175.11232	4.2
177.09142	26.9
193.12302	3.3
193.60394	2.6
203.10693	8.1
203.14354	3.3
221.11830	6.8
265.10800	100.0
265.14359	12.9
266.11142	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	263.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
59.01258	2.7
69.99081	2.3
71.01244	1.0
71.04906	0.9
73.02809	1.0
73.22950	0.5
79.05382	0.5
83.04889	1.7
85.02831	0.6
94.59693	0.4
95.04892	0.6
101.02329	0.8
107.04918	0.7
108.02004	0.4
109.02812	0.9
109.06462	1.9
111.04400	1.5
117.76664	0.4
119.08534	1.5
120.50106	0.4
121.06468	1.8
122.03591	0.5
123.04407	0.6
123.08064	1.1
125.05977	3.5
133.02863	0.6
135.04370	0.6
135.08038	2.6
136.05205	7.4
137.09610	1.6
139.07562	0.5
147.08029	0.6
148.05179	1.8
149.05992	0.9
151.07523	2.0
152.08347	3.7
153.09105	0.8
159.11679	1.1
161.06015	0.6
161.09607	1.6
163.07545	1.8
164.08301	0.9
170.05783	0.9
171.08051	1.6
175.07520	1.5
185.09641	4.9
186.10448	1.6
188.08411	2.6
189.09123	6.3
201.12794	19.9
202.13132	1.4
203.10724	20.3
204.11493	55.7
205.11855	3.6
219.13860	42.4
220.14149	3.0
230.09271	0.6
245.11818	1.4
246.55267	0.5
263.12866	100.0
264.13165	6.7
264.15717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1288
Annotation	Cybrodic acid
Peak:m/z	Relative Intensity
53.51230	1.3
57.03309	5.3
59.01251	7.0
63.73993	1.2
67.01759	2.0
67.13208	1.5
69.32211	11.5
71.01268	6.8
71.04897	2.3
71.99221	1.3
73.02793	1.4
79.05386	1.9
79.06224	1.2
81.03321	4.9
83.04899	5.1
84.02028	6.1
85.02813	5.7
93.03342	3.2
93.06992	1.6
95.04904	4.3
97.02831	13.3
97.06438	1.8
99.04392	5.2
105.06969	3.5
107.04895	4.8
108.02027	1.9
108.05697	6.7
109.02834	10.0
109.06489	4.1
111.00829	1.2
111.04394	16.3
113.06005	7.6
119.08540	4.5
121.06468	5.7
122.03629	16.3
123.04205	1.4
123.08073	9.2
125.05972	20.7
125.09563	1.8
133.02827	1.8
134.03629	1.8
135.08083	1.8
136.05173	20.7
137.05989	6.3
137.09624	2.4
138.06761	22.7
139.07559	33.5
147.04453	1.5
148.05206	11.3
149.05948	7.6
151.03998	1.9
151.07550	74.2
152.04730	8.1
152.08336	43.8
153.09132	12.7
159.11696	4.8
161.09576	7.9
163.07573	18.4
163.11200	1.7
167.07063	3.3
170.05798	3.2
171.07968	2.4
173.09596	2.2
175.07544	1.8
175.11249	3.2
177.12794	1.6
183.11697	2.0
185.09584	3.7
188.08328	4.3
189.09160	11.2
189.12769	3.2
191.14333	2.0
201.12775	37.0
202.13091	2.2
203.10710	30.6
204.11487	69.9
205.11826	4.3
219.13850	100.0
220.07637	1.8
220.14203	8.8
228.44025	1.3
245.11694	3.1
263.09720	2.6
263.12848	16.4
264.13248	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	261.1342
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	7.5
57.03318	5.8
57.04317	1.1
58.00468	6.9
59.01251	100.0
69.03310	2.6
69.53745	9.3
71.01252	76.7
72.99190	7.3
73.02820	86.5
74.03183	1.4
83.01257	14.9
85.02823	36.5
87.00756	10.9
89.02325	15.7
95.01264	2.6
97.02844	3.5
99.00771	8.3
99.08031	7.9
101.02321	98.3
102.02644	2.0
112.01529	1.4
113.02329	15.6
119.03398	19.5
121.06493	1.3
125.09591	2.3
133.02863	1.3
137.13902	1.2
143.03339	1.9
147.08109	2.7
161.04474	71.9
162.04726	1.6
175.03951	1.6
175.11205	1.4
187.09665	1.9
217.12366	2.9
227.06619	1.8
252.52690	1.6
261.07660	4.9
261.13443	89.4
261.22211	3.2
262.11234	1.3
262.13705	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.30712	1.1
71.01250	1.2
71.08496	2.5
73.16204	1.0
84.29823	1.1
85.02865	1.6
94.38594	1.0
102.23022	1.2
129.89798	1.1
133.02821	2.6
175.04047	1.3
234.05132	1.4
262.72388	1.5
263.09265	3.5
263.12811	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.37472	6.3
69.37913	6.0
69.56567	1.4
71.01245	2.4
73.02815	1.6
73.45791	1.4
73.85654	1.3
85.02795	1.9
93.03321	1.6
101.02319	2.5
119.16483	1.4
133.02803	2.1
160.79750	1.4
177.05496	2.2
179.52159	1.4
202.12808	1.7
221.53773	1.6
233.04346	1.5
263.05420	2.7
263.09338	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07201	0.9
59.01255	19.0
61.46322	1.0
61.98704	1.5
69.29705	7.9
71.01252	2.5
77.65929	0.9
81.95196	1.0
96.95176	0.8
97.23383	0.9
98.19810	1.7
111.21976	1.0
122.03474	1.0
125.09578	1.3
127.11179	1.4
133.02858	1.0
137.09601	7.9
145.08594	1.0
153.09084	1.2
155.10690	100.0
156.10997	4.7
171.10181	19.6
189.08110	2.1
199.09708	33.2
200.10086	2.2
200.82971	1.1
215.12840	4.6
217.10764	92.3
218.11122	3.7
256.78738	0.9
259.02545	1.4
259.06079	2.2
259.08981	3.3
259.11835	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	261.1132
Annotation	Postia secoguaianolide
Peak:m/z	Relative Intensity
57.03054	2.1
57.03322	33.7
59.01241	2.4
67.01788	1.5
68.99655	1.5
69.03320	3.9
69.99896	7.0
71.01266	2.3
71.04874	2.8
79.05380	2.7
81.03352	3.6
83.04897	9.5
85.02814	2.6
91.05419	2.5
93.03323	4.1
95.04907	6.2
97.02798	2.5
98.19838	1.7
99.04382	2.3
105.06973	5.7
106.04102	2.1
107.04925	8.9
108.02074	3.8
109.02809	3.2
109.06478	10.2
111.00723	3.0
111.04416	1.4
115.05408	1.6
117.06976	6.5
119.04919	3.3
119.08551	5.3
121.06455	9.8
123.04415	3.2
123.07977	2.1
125.09608	2.8
129.06982	4.2
131.04877	2.0
133.06485	6.1
135.04430	3.6
135.08061	2.4
143.08566	3.1
145.06447	4.8
147.08080	19.3
148.05180	2.2
149.05945	3.3
157.06537	3.4
157.10094	2.9
159.08076	5.8
161.06006	5.9
161.09612	10.1
163.07573	3.0
169.06424	2.2
171.08069	1.8
171.11717	2.1
173.05960	3.8
173.09564	3.9
175.07483	3.3
175.11189	5.7
177.05576	2.2
183.08023	5.9
187.07645	3.0
187.09619	2.5
187.11215	2.8
189.12788	11.1
190.06358	1.8
191.07025	5.9
199.11230	13.7
201.09172	2.6
203.07008	3.3
215.10811	2.0
217.12291	37.6
218.12660	3.5
219.10118	2.1
233.11876	1.6
243.10190	2.2
251.69473	1.6
261.11301	100.0
262.11609	8.8
262.14270	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	261.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	61.1
58.03615	2.3
59.01238	2.8
60.43148	2.2
65.00187	4.0
65.03827	9.4
67.01754	7.8
69.03316	9.7
71.01221	2.0
79.05390	7.6
81.03342	13.9
83.01212	3.1
83.04896	26.3
93.03333	5.4
95.04919	11.4
97.06477	2.3
98.20563	6.0
105.06989	4.5
107.04915	37.4
109.02824	2.4
109.06475	6.1
111.00776	15.2
117.86926	1.8
119.04861	3.1
119.08549	8.7
121.06466	14.8
123.08036	5.2
125.09579	3.5
129.06967	2.8
131.04933	4.0
131.08568	2.2
132.05713	4.2
133.06451	6.6
135.00819	4.2
135.04372	6.4
135.08020	3.6
144.05728	2.9
145.06477	7.9
147.08057	100.0
148.08356	8.7
149.05966	5.5
149.09619	3.9
159.04425	2.3
159.08064	26.4
161.05945	8.2
162.03082	2.1
171.08032	4.1
171.11705	42.5
172.12016	3.4
173.09631	4.9
175.03920	14.9
175.07533	3.4
175.11201	24.9
176.04630	3.2
177.05469	2.8
177.09198	2.6
179.03419	18.3
180.03854	2.1
183.08051	9.4
184.08810	5.4
187.07559	2.2
189.12811	3.9
190.06305	36.1
191.07048	42.1
197.09706	2.7
199.11209	27.6
200.11479	2.8
201.09190	16.2
202.09805	4.0
203.07021	6.9
215.10750	3.0
217.12271	50.6
218.12698	4.9
219.10190	7.0
261.11316	81.5
261.14136	4.2
261.22321	4.2
262.11737	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
55.24412	0.3
57.16053	0.3
57.33518	0.2
59.01261	0.3
70.97139	0.4
70.97458	0.4
72.04414	0.7
74.02345	100.0
75.02682	1.1
84.04424	1.3
84.74020	0.2
99.00715	0.3
122.04991	0.2
125.02374	0.3
131.56288	0.3
153.36075	0.3
208.52100	0.3
210.18506	0.6
212.20128	3.8
213.20505	0.4
220.12782	0.3
222.77541	0.3
256.19180	36.9
256.23462	14.4
257.08154	0.6
257.19522	3.6
257.23959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	Guibourtinidol
Peak:m/z	Relative Intensity
59.08942	0.7
62.21403	0.8
66.96522	0.7
70.49102	2.5
71.84131	1.0
77.05473	0.8
80.02550	3.2
91.01769	8.5
93.03341	21.6
95.01273	2.5
107.04918	16.8
108.02059	64.4
108.05254	1.2
109.02364	1.5
121.02853	100.0
122.03206	3.0
123.04417	59.1
124.04758	2.7
133.02853	1.7
135.00780	20.2
136.01538	1.5
137.02307	0.8
149.02403	2.0
151.03926	17.2
152.04288	1.1
160.01637	1.4
181.06477	1.2
188.52057	0.7
195.04434	3.2
197.06044	6.2
213.09218	1.5
224.04761	4.2
225.05551	41.9
226.05867	2.7
227.07053	2.7
229.08745	1.6
239.07135	3.4
242.05798	2.0
256.23627	1.2
257.08188	83.0
257.23840	1.6
258.08545	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	259.0225
Annotation	D-Allulose 6-phosphate
Peak:m/z	Relative Intensity
70.54318	4.3
70.81390	13.6
75.82639	3.9
78.95781	84.9
87.00757	4.1
89.09943	4.3
96.95916	6.9
96.96839	100.0
112.79758	4.5
114.20600	4.4
126.90231	16.6
126.98801	8.9
259.02216	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
54.39861	0.3
57.03051	0.5
57.03320	7.6
57.28158	0.3
59.01244	1.5
62.11851	0.3
63.31264	0.2
64.16476	0.2
69.03322	2.3
69.26775	2.8
71.01260	2.6
71.04889	0.9
73.02817	0.6
81.03325	0.3
83.04901	0.5
85.02817	0.5
95.04899	0.6
97.02824	0.7
97.06490	0.5
98.20509	0.6
99.04398	0.7
101.02325	0.4
107.04942	0.4
109.02905	0.3
109.06466	0.3
111.07987	0.3
113.02296	0.3
113.29838	0.3
121.06473	0.4
123.04413	1.3
123.08046	1.3
125.05974	6.1
125.09619	1.0
126.06335	0.4
134.78694	0.3
135.08063	0.8
137.05939	0.4
137.09653	0.6
151.11084	0.3
153.09068	2.2
179.14355	0.8
181.59848	0.2
195.13860	0.5
205.16046	0.4
205.98511	1.1
207.13942	0.4
207.17503	1.8
209.15414	2.3
221.00807	0.8
233.15326	0.6
236.03223	0.8
251.16505	100.0
252.16840	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
55.66114	0.5
58.62151	0.4
59.01257	9.1
61.54294	0.5
71.01257	11.4
73.02814	1.2
81.23809	0.5
85.02805	1.0
88.03919	3.5
89.02300	2.4
91.01775	1.6
93.03337	16.8
94.03688	0.8
101.02319	2.8
113.02308	0.8
114.01841	0.7
114.99632	0.3
115.00259	13.2
118.02874	16.3
119.03241	1.3
121.02831	1.3
132.02925	3.4
136.03940	100.0
137.02351	6.9
137.04263	4.1
142.41261	0.5
146.06020	2.1
161.04459	1.9
162.05481	1.2
164.07088	7.5
165.09081	0.7
191.10674	0.7
193.07065	1.6
208.06110	5.5
209.11726	0.7
226.78563	0.5
234.04057	0.8
252.05124	18.3
253.05391	1.8
253.09029	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24177	0.2
51.84684	0.2
57.03051	0.4
57.03321	5.6
59.00397	0.2
59.01258	1.6
68.40542	0.3
69.03335	1.8
70.09084	0.2
70.58539	0.3
71.01256	2.2
71.04882	1.1
71.50909	0.3
73.02826	2.5
81.03348	0.4
83.04889	0.6
85.02838	0.8
85.06455	0.3
93.03336	0.4
95.04916	0.4
97.02843	0.3
97.06449	0.5
99.04389	0.3
101.02362	0.6
106.04047	0.3
107.04922	0.6
109.06461	0.4
113.02338	0.3
121.06479	0.4
123.04408	0.8
123.08072	1.4
125.05991	1.8
125.09582	1.6
135.08052	0.4
137.09634	0.9
149.09610	0.6
151.11197	0.4
153.09119	0.7
153.12868	0.3
163.11172	0.4
164.66544	0.3
175.11221	0.9
177.12756	0.8
179.14343	0.5
189.12621	0.3
191.14258	0.4
195.13899	0.5
205.15956	1.0
205.98569	1.2
207.13849	0.6
207.17503	2.0
209.15413	0.5
215.14429	0.3
221.00826	1.1
233.15411	1.3
236.03270	0.7
247.09059	0.3
251.16502	100.0
252.16835	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	251.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03055	1.5
57.03321	18.0
59.01233	4.8
59.98407	1.4
66.15317	1.2
69.53709	9.8
71.01242	5.0
73.02813	1.9
76.96876	5.6
79.05405	1.4
79.95602	9.3
83.04889	2.9
83.24955	1.2
85.02824	4.0
89.02301	1.3
92.96528	1.5
97.06457	2.2
99.00745	1.5
99.04395	7.9
101.02311	4.7
107.04893	1.7
109.06510	1.6
111.00734	1.6
113.02327	2.7
119.08564	5.8
120.95907	17.9
123.04415	4.1
135.08000	1.9
137.02351	1.9
137.09616	86.5
138.09938	3.7
173.05873	1.4
179.10698	3.9
181.08557	3.6
189.16423	3.6
205.98502	8.7
207.10245	4.9
207.17455	2.5
221.00816	6.5
233.15572	1.9
236.03258	3.8
251.07359	1.4
251.09483	18.2
251.16512	100.0
252.09915	2.9
252.16902	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	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.0
59.01243	1.5
64.91160	0.3
69.03313	1.9
69.29607	3.7
71.01256	1.8
71.04894	0.7
73.02804	1.2
83.04906	0.4
85.02840	0.5
89.02318	0.6
97.02763	0.5
97.06481	0.4
101.02296	1.0
107.04935	0.4
109.06515	0.5
123.08060	1.3
125.05968	1.1
125.09639	1.5
137.09595	0.9
144.04390	0.4
149.09708	0.6
153.09064	0.6
161.54424	0.4
165.25809	0.4
177.12825	0.4
179.14276	0.5
191.14201	0.5
195.13821	0.5
205.15923	0.9
205.98518	1.5
207.17456	2.1
213.07399	0.4
221.00844	1.5
233.15382	1.0
236.03224	1.0
251.16508	100.0
252.16846	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	249.1343
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.99438	1.2
55.01761	7.1
56.68512	1.3
57.03311	4.8
58.00454	4.1
59.01252	81.5
60.01598	1.4
69.03315	2.4
71.01257	47.6
71.49735	1.7
71.50120	1.5
72.99170	7.5
73.02821	47.0
75.00715	1.2
83.01262	15.5
83.04884	1.6
85.02356	2.2
85.02827	28.6
87.00757	7.1
89.02318	4.2
91.09034	1.1
93.03336	6.3
95.01250	3.1
96.95893	27.4
97.02828	3.1
97.75924	1.2
99.00774	8.7
101.02324	68.7
102.02654	1.5
105.04443	1.2
108.02036	1.8
110.00813	1.3
111.04369	1.4
113.02330	14.5
117.03327	1.9
117.05417	2.2
119.04908	2.9
120.95002	1.1
124.01555	3.4
133.02809	6.4
134.03622	7.0
135.04379	4.9
137.02339	3.5
143.03363	1.6
145.02849	6.3
146.03362	1.0
147.04355	2.6
148.05154	2.3
149.05994	7.2
153.81920	1.1
161.02376	2.1
161.03227	2.0
161.04477	37.4
161.05814	3.0
162.04849	1.3
163.03839	2.3
173.04430	4.8
175.03915	4.9
175.07465	2.2
176.04723	11.7
177.01842	5.1
177.09084	3.3
179.03363	1.8
187.07532	8.0
204.04088	1.6
205.08629	7.9
219.10193	1.9
249.07787	43.3
249.11385	5.3
249.13373	100.0
250.08083	2.6
250.14203	10.6
252.48792	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	249.1492
Annotation	Dihydropseudoivalin
Peak:m/z	Relative Intensity
54.38456	2.1
57.03302	2.9
59.01245	15.2
61.98693	3.4
69.03323	28.2
69.17159	2.0
69.47419	4.1
69.47831	11.6
71.01246	5.7
73.02793	3.4
83.04888	6.8
93.66029	2.0
93.79313	2.2
94.28059	2.2
95.04903	3.8
98.19788	2.6
101.02298	2.8
102.68828	2.1
117.03316	3.1
117.05444	5.7
119.04948	2.5
121.02822	3.0
126.36926	2.0
145.02835	9.0
146.03206	4.8
147.04422	5.2
149.13274	2.7
161.05916	3.3
167.10672	2.9
187.14807	5.9
193.12233	6.7
204.04266	2.3
205.12267	9.1
205.15900	17.1
219.13463	2.1
220.07384	4.0
221.15398	11.7
231.13858	28.4
232.14153	2.2
234.05309	3.2
249.07793	16.4
249.11124	27.5
249.14919	100.0
250.11005	4.4
250.14452	36.8
265.67853	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0559
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
66.00985	0.3
69.16290	3.0
72.05010	0.3
73.02806	0.4
74.64936	0.2
83.04893	0.2
94.00520	0.9
101.02326	0.3
130.70653	0.3
149.99483	2.4
177.98993	10.4
178.99356	0.4
184.55733	0.3
193.01291	0.6
205.98499	100.0
206.98839	5.1
221.00861	85.3
222.01196	5.6
235.28397	0.3
236.03218	74.4
237.03580	4.9
251.05568	9.6
251.16368	0.3
252.05991	0.8
252.08687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01259	0.2
71.01253	0.9
71.49912	0.1
80.89835	0.1
81.82222	0.1
83.04907	0.2
103.03906	0.3
143.95277	0.1
147.14072	0.1
157.04987	0.1
179.07138	0.2
184.00082	0.8
190.09824	0.1
191.00969	0.1
203.10582	0.1
204.15347	0.1
205.15851	0.3
219.46725	0.1
220.17021	0.3
229.01440	0.1
231.13815	0.5
247.17000	100.0
248.08026	1.0
248.17340	10.8
251.95525	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	249.0764
Annotation	Citrinin
Peak:m/z	Relative Intensity
59.01254	2.3
66.16389	0.6
67.54223	0.7
69.03326	0.9
69.43771	2.0
69.44191	2.9
71.00882	0.7
71.01254	2.9
72.99200	0.5
73.02815	3.6
85.02821	4.2
85.47608	0.7
93.03309	1.3
101.02325	1.9
113.02302	1.2
117.03347	31.3
118.03617	1.1
119.04916	13.6
120.05204	0.6
121.02837	7.4
123.04425	2.5
130.04131	0.8
132.05727	3.3
133.02809	1.2
134.03615	0.8
145.02853	100.0
146.03198	4.8
147.04407	1.2
159.04384	0.9
162.03131	4.9
163.03896	5.3
173.05969	1.1
173.55704	0.7
175.07556	19.5
176.04727	0.9
177.05452	2.0
187.07564	1.0
201.05531	7.0
205.08612	6.0
219.06569	6.6
231.06610	1.0
249.07651	24.3
249.11165	1.6
249.14998	0.6
250.08098	1.7
250.14392	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	249.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97189	0.4
59.01250	34.9
59.90516	0.3
70.32899	0.3
71.01244	0.9
71.48352	0.6
73.02810	2.9
75.00758	0.7
81.73429	0.3
83.01250	0.6
83.04887	0.4
85.02798	0.5
87.00775	0.4
93.03304	0.4
97.02851	0.6
101.02326	9.3
102.25735	0.4
109.02880	0.6
113.02324	0.5
117.05464	100.0
118.05785	3.3
120.04462	0.4
122.06089	0.5
131.03397	0.6
131.22696	0.3
135.02969	0.3
141.01872	0.8
149.04469	0.4
206.08104	0.7
249.09810	1.4
250.07167	2.8
250.14520	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	249.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	38.3
69.47498	0.8
70.63807	1.4
70.64177	1.2
73.02798	0.8
79.07019	0.7
83.92875	0.7
98.19887	0.9
113.25256	0.6
116.40397	0.7
117.05461	100.0
118.05805	3.2
128.43263	0.6
137.84550	0.7
172.25821	0.7
189.82655	0.8
190.07611	0.7
205.08725	0.9
211.53906	0.7
236.19553	0.7
249.07553	1.0
249.14833	1.5
250.14449	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	249.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99438	1.2
55.01761	7.1
56.68512	1.3
57.03311	4.8
58.00454	4.1
59.01252	81.5
60.01598	1.4
69.03315	2.4
71.01257	47.6
71.49735	1.7
71.50120	1.5
72.99170	7.5
73.02821	47.0
75.00715	1.2
83.01262	15.5
83.04884	1.6
85.02356	2.2
85.02827	28.6
87.00757	7.1
89.02318	4.2
91.09034	1.1
93.03336	6.3
95.01250	3.1
96.95893	27.4
97.02828	3.1
97.75924	1.2
99.00774	8.7
101.02324	68.7
102.02654	1.5
105.04443	1.2
108.02036	1.8
110.00813	1.3
111.04369	1.4
113.02330	14.5
117.03327	1.9
117.05417	2.2
119.04908	2.9
120.95002	1.1
124.01555	3.4
133.02809	6.4
134.03622	7.0
135.04379	4.9
137.02339	3.5
143.03363	1.6
145.02849	6.3
146.03362	1.0
147.04355	2.6
148.05154	2.3
149.05994	7.2
153.81920	1.1
161.02376	2.1
161.03227	2.0
161.04477	37.4
161.05814	3.0
162.04849	1.3
163.03839	2.3
173.04430	4.8
175.03915	4.9
175.07465	2.2
176.04723	11.7
177.01842	5.1
177.09084	3.3
179.03363	1.8
187.07532	8.0
204.04088	1.6
205.08629	7.9
219.10193	1.9
249.07787	43.3
249.11385	5.3
249.13373	100.0
250.08083	2.6
250.14203	10.6
252.48792	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	247.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	100.0
58.03661	4.0
59.01236	3.5
65.03855	3.8
69.03307	14.1
69.98788	19.2
76.64454	3.3
79.05413	7.7
83.04908	27.4
105.06981	98.6
107.04913	45.0
131.08542	6.1
133.06471	6.0
133.10115	12.6
145.06570	4.9
147.08061	41.7
155.08551	6.0
157.06502	4.3
157.10138	57.2
158.10492	6.9
159.06802	5.8
159.08052	82.7
160.08507	6.5
173.09657	5.0
175.11194	38.4
177.09175	18.0
183.08067	17.2
185.09596	10.1
219.10281	7.3
220.48573	3.3
247.09718	38.9
247.13371	4.2
248.10222	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	247.0974
Annotation	Nigerapyrone D
Peak:m/z	Relative Intensity
51.09927	1.4
53.95771	1.7
57.03323	89.0
58.03664	2.0
59.01239	2.7
61.98710	2.0
69.03316	10.2
71.01250	12.8
71.50770	2.4
72.69115	1.6
72.99146	1.8
79.05410	8.4
81.03339	2.2
81.65343	1.7
83.04893	31.8
89.02322	3.2
91.05384	1.9
93.03366	4.7
95.04948	2.0
103.03886	4.6
103.05421	4.3
105.06979	100.0
106.07333	4.0
107.04907	39.7
108.05238	2.0
109.06498	2.5
111.08082	1.7
117.03415	2.0
117.06982	5.9
119.04886	8.4
119.08559	2.2
121.02847	1.8
121.06473	4.1
129.07008	3.2
131.04886	3.1
131.08556	7.0
133.02817	2.5
133.06474	14.4
133.10147	17.3
134.03607	2.7
135.04388	3.5
135.08063	3.0
138.52579	1.6
139.09215	1.9
142.07628	1.8
143.04935	5.8
144.05704	4.5
145.02844	10.5
145.06526	8.4
146.03670	4.9
147.04434	6.1
147.08055	41.7
148.08401	2.9
149.05975	3.7
150.03133	2.3
155.08571	7.2
157.06519	3.9
157.10141	54.1
158.03584	2.3
158.10434	2.4
159.04442	6.4
159.08061	77.1
160.08447	5.3
161.05994	11.5
161.09650	6.1
171.04402	4.5
171.08076	4.2
173.02345	2.3
173.05988	15.2
173.08243	1.9
173.09641	6.4
174.03093	5.4
174.06728	5.6
175.03943	2.4
175.07544	5.7
175.11192	42.1
175.12717	2.2
176.11545	2.4
177.05586	1.9
177.09111	23.7
183.08073	20.7
185.09625	10.9
185.13123	2.9
186.95506	2.8
187.03954	5.5
187.07642	3.4
188.04726	7.4
189.05489	32.2
189.09177	8.3
199.07681	2.7
201.12758	1.9
202.06325	12.5
203.07039	4.6
203.10779	13.5
203.14368	6.1
205.08611	2.3
215.07082	2.2
217.08678	24.2
218.09370	3.0
219.06573	19.0
219.10069	12.5
225.08347	1.8
229.08641	2.4
232.03745	2.4
247.06052	5.4
247.09727	68.6
247.13362	25.3
248.03558	2.4
248.10510	25.1
248.13124	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
59.01247	49.9
60.49386	0.7
69.95142	3.8
71.04874	2.2
89.43604	0.7
97.06470	0.8
127.11182	4.0
139.11220	0.9
155.10675	2.8
156.92799	0.7
157.12253	19.3
158.12511	1.0
164.99274	0.6
185.10245	1.2
185.11766	18.3
186.12091	0.9
187.03767	1.0
201.09082	0.8
203.12814	100.0
204.13165	6.5
245.08185	3.9
245.14020	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	43.4
60.01579	0.6
60.41654	0.3
61.98714	0.4
69.70504	2.2
83.89371	0.3
98.20599	0.3
107.95214	0.3
117.04357	0.3
122.40854	0.3
127.11180	4.4
139.11174	1.3
141.12845	0.4
145.06447	0.4
155.10712	2.0
157.12245	18.6
158.12567	0.9
159.04430	0.4
166.93539	0.4
173.05923	0.4
174.03096	0.6
175.03967	0.4
183.13844	0.7
185.11755	18.5
186.12080	1.7
189.09106	0.4
201.09184	0.4
202.06213	0.6
203.12823	100.0
204.13139	7.2
204.14967	0.5
217.08838	0.4
227.07115	0.5
227.12772	0.4
230.05659	0.5
239.71864	0.3
245.00819	0.5
245.08191	3.4
245.11797	0.8
245.13910	6.4
246.08296	0.4
246.14302	0.6
266.12653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01252	50.1
60.01578	1.0
69.20834	4.2
71.47081	0.5
73.02828	0.5
75.09097	0.5
85.45216	0.4
91.64690	0.4
111.08064	0.7
113.05954	1.1
113.09586	1.4
116.55259	0.4
125.09597	1.0
127.11172	1.7
132.87837	0.5
139.11185	2.0
141.09114	0.8
142.06482	0.6
153.11044	0.5
155.10707	3.3
157.12259	20.0
158.12549	1.0
173.05891	0.5
174.03192	0.6
185.11768	16.1
185.13451	0.8
186.12175	1.2
201.11276	0.5
203.12837	100.0
204.13164	8.0
225.50237	0.5
245.08249	2.6
245.13916	4.4
246.08339	0.5
246.14302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	64.4
59.01250	2.9
61.90843	1.1
61.98699	6.9
69.03330	4.0
70.09692	3.0
70.10081	2.5
71.01244	1.2
80.94944	1.4
83.01255	1.5
83.04910	2.4
87.00749	2.0
95.04898	1.3
96.08157	1.1
105.06964	1.7
107.04990	1.3
117.61111	1.0
119.08540	1.6
131.08554	33.9
133.06552	2.3
143.08545	6.4
144.05719	1.4
145.02846	2.1
145.06435	1.6
147.04530	1.4
157.10081	1.7
159.04446	2.3
159.08043	3.4
159.11667	14.6
161.09645	3.2
171.08037	2.5
172.05185	2.5
173.02406	1.5
173.05966	5.3
173.09625	2.5
174.03123	5.1
175.03883	2.6
175.07526	8.3
181.10147	1.9
183.11703	14.9
185.09651	5.4
186.06779	6.4
187.03790	1.6
187.07498	7.4
197.09715	1.3
199.07632	1.3
199.11172	9.0
201.05493	6.0
201.09152	73.3
201.12784	68.3
202.06035	1.3
202.09486	6.5
202.13055	6.8
203.10907	1.7
206.02068	2.6
215.07100	7.5
215.10571	1.4
216.07854	13.5
217.08458	1.8
218.05812	3.0
227.07092	1.7
227.10710	4.6
245.04507	2.9
245.08194	18.2
245.11795	100.0
246.08452	2.2
246.12149	10.3
254.84183	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	245.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15760	1.1
57.03323	64.9
58.03650	1.9
59.01245	1.8
61.26501	1.0
61.98684	2.0
69.03318	3.4
70.28400	4.2
83.01285	1.2
83.04907	2.8
91.05409	1.1
95.04934	1.1
102.16872	1.0
105.06969	2.3
108.35217	1.0
119.08561	1.5
119.77930	0.9
121.06493	1.2
131.08560	38.7
132.08879	2.0
133.06444	1.9
143.08569	5.5
145.06528	1.9
145.10034	1.3
147.04428	1.9
157.10129	1.3
159.04436	3.2
159.08061	3.3
159.11700	17.1
161.09602	1.6
171.08083	3.2
173.06035	5.5
173.09575	1.2
174.03143	2.0
175.03897	1.4
175.07515	6.4
179.08522	1.4
181.10190	2.5
183.08044	1.3
183.11723	13.9
184.12100	1.8
185.09615	5.3
186.10326	1.5
187.07584	5.8
189.09044	2.4
199.11255	8.6
201.05435	2.1
201.09422	2.0
201.12788	67.5
202.13130	5.0
203.10779	3.0
216.07870	7.0
227.10811	3.5
245.08224	9.3
245.11806	100.0
246.12222	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.02860	0.5
53.58632	0.5
57.03329	3.8
57.39939	0.5
57.79857	0.5
59.01248	83.6
60.01579	1.0
61.99405	0.5
69.15031	6.0
71.04909	0.6
73.02821	4.7
83.04897	0.6
93.03358	0.7
95.04916	1.6
97.35785	0.5
110.02390	0.9
133.02881	0.8
135.04451	0.9
137.09639	1.7
139.11188	50.7
140.11539	2.5
155.10663	1.7
163.11206	1.9
165.09149	2.3
169.51076	0.6
181.12259	28.8
182.12631	1.7
183.10188	70.8
184.10579	4.2
199.13326	14.0
200.13672	1.4
201.11296	2.6
225.11272	19.0
226.11656	1.7
243.03008	1.4
243.12347	100.0
244.12682	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	243.1235
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
54.14336	1.1
56.29745	1.1
57.03320	3.6
59.01252	100.0
60.01574	1.5
62.00284	1.0
63.10047	1.0
69.03320	1.8
69.33517	4.7
69.33936	4.3
69.55779	1.0
71.04898	1.4
72.99182	8.9
73.02818	2.9
75.65126	1.1
83.04890	1.3
85.06470	1.5
88.53046	1.1
107.08555	4.3
110.02373	3.3
114.65193	1.1
117.91763	1.1
121.10107	2.7
125.09626	3.3
137.09608	2.1
139.11189	35.6
140.11485	3.0
155.10672	5.4
163.11182	1.2
165.09076	1.6
181.12265	15.3
183.10191	90.6
184.10551	6.4
199.07635	1.1
199.13297	8.8
201.11263	82.7
202.11623	4.6
207.10223	1.5
214.47687	1.1
225.11305	12.2
243.02798	1.6
243.06508	3.3
243.12346	59.8
243.16168	2.3
244.12755	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	243.0619
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01761	0.8
55.29336	0.8
55.58799	0.7
59.01247	1.5
60.28331	0.9
66.03356	17.3
68.01283	4.2
71.01254	2.5
71.48730	1.4
82.02854	33.5
83.01298	1.9
83.03212	0.9
84.04389	1.1
92.04915	0.8
94.02891	4.6
96.04440	2.3
97.13313	0.7
108.04436	2.3
110.02360	100.0
111.01884	7.2
111.02689	2.4
113.07866	1.1
122.02374	7.5
124.03922	2.8
124.97216	0.8
126.05446	1.0
132.02977	1.1
138.01738	0.9
138.05534	1.2
140.03430	10.2
152.03441	17.5
153.02928	10.3
153.03986	0.8
182.04465	0.8
193.48985	0.8
199.07867	1.2
200.05580	36.5
201.05829	2.2
213.94911	0.8
243.06230	26.2
243.12286	1.3
243.15944	0.9
244.06473	2.3
246.52834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
51.17476	1.9
53.72716	1.6
54.07277	2.0
57.03321	11.4
59.01243	4.5
61.98702	12.7
66.03351	2.3
69.03326	60.2
75.05665	1.8
79.01772	7.8
81.03347	4.9
82.02864	4.6
83.01254	1.7
85.02814	5.5
93.03353	2.5
95.01264	12.6
97.02825	32.4
97.06429	2.0
99.92475	3.3
107.01267	13.3
108.02057	100.0
109.02855	42.2
109.06498	2.3
110.02359	15.2
110.03053	3.1
111.00723	2.8
121.02850	32.1
123.00758	18.7
124.01567	2.0
125.02344	50.1
126.02627	3.1
129.06970	3.1
131.08528	2.5
135.00775	79.0
136.01125	2.6
137.02332	52.7
137.03339	3.6
141.01924	1.8
141.07033	2.2
143.66626	1.8
151.00246	5.7
152.01057	94.4
153.01494	3.3
157.10139	3.4
169.06470	7.6
171.07973	2.9
171.10216	2.7
173.05978	3.9
181.10144	3.4
181.12231	2.3
181.15952	1.9
183.08138	2.7
185.06020	2.3
197.06017	61.1
197.09695	3.1
198.06355	4.8
199.09642	3.0
199.11235	31.2
199.13065	2.1
200.05553	3.1
200.11566	3.0
207.10193	5.4
213.05550	10.8
215.07057	9.1
225.11328	6.6
228.08052	1.9
243.02750	3.9
243.06580	66.7
243.10222	25.6
243.12335	5.5
243.15997	7.2
243.19608	4.5
244.06955	6.5
244.10512	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	242.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.2
57.03332	1.5
61.74836	0.9
66.03342	1.6
68.21242	1.0
69.03311	1.6
70.83503	2.4
71.01251	1.1
72.04404	1.7
74.64573	0.9
74.66571	1.0
75.79707	0.9
81.03333	1.4
82.02858	16.4
83.01279	6.1
84.00784	2.2
84.02048	0.9
84.04414	3.1
84.40191	0.8
85.06464	9.8
85.50484	0.9
86.06815	1.1
87.00744	2.2
92.04843	1.0
94.02842	2.1
94.08769	1.1
95.04908	1.5
97.02845	4.6
97.06445	2.2
98.02340	3.5
99.04374	1.0
100.03924	10.0
106.06437	1.2
107.04907	29.3
108.04430	1.4
108.05217	0.9
110.02362	8.5
110.06009	5.9
111.03143	1.9
112.03941	19.0
112.07568	79.7
113.07899	3.5
114.05460	1.0
124.03940	7.4
124.07567	8.8
125.05959	6.1
126.05508	2.6
126.09140	5.1
128.03435	3.3
134.06021	4.9
136.07588	20.6
137.05986	5.7
138.05450	3.6
140.06018	1.7
140.07074	33.9
141.07327	1.1
142.04990	3.5
150.05539	1.3
152.03410	1.1
152.07074	4.0
153.05511	3.0
154.08682	5.1
155.07034	3.6
168.06592	2.1
170.08142	16.3
171.08350	1.0
180.06631	4.8
196.06081	36.4
198.07651	47.9
199.08006	3.4
200.05582	4.4
214.07132	17.6
215.07410	1.1
242.06664	100.0
243.07031	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03308	1.1
59.01233	1.5
62.27430	0.7
63.47485	0.7
69.03333	3.9
69.34767	0.9
69.35165	6.1
71.04900	4.1
81.69901	0.7
83.04887	1.7
85.17662	0.7
97.06472	1.1
123.08047	0.9
125.09596	1.9
151.11191	1.5
152.93629	0.7
153.12750	3.1
161.09586	1.8
179.10704	6.5
189.16396	0.9
197.11760	100.0
198.12083	6.2
223.09723	3.6
241.10779	74.4
242.11078	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	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
55.68916	0.5
57.03328	6.1
59.01251	100.0
60.01593	1.9
64.51723	0.6
67.05412	0.8
71.04896	0.9
71.05585	1.1
76.26209	0.5
79.23406	0.6
83.04907	1.8
85.02850	0.9
87.00781	0.6
88.74713	0.5
97.06506	0.7
99.04382	3.8
111.04440	0.6
119.08531	3.5
135.08043	0.8
135.11710	1.0
137.09608	7.9
137.10605	0.5
141.05493	0.6
142.06023	0.5
151.11197	0.7
153.12730	0.8
158.85876	0.6
161.09601	1.2
163.07613	2.4
169.12218	4.4
178.02715	0.6
179.10677	4.0
181.08635	21.4
182.09085	0.8
195.13832	0.9
197.11768	36.5
198.12190	2.5
202.87259	0.5
206.39540	0.5
223.09723	1.4
241.05182	0.9
241.07213	0.7
241.10796	15.7
241.14597	2.0
242.11090	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	242.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.6
59.01228	3.2
59.18326	2.5
62.23864	2.3
66.03360	5.3
67.53802	2.5
69.03372	2.5
71.01254	3.7
71.48031	4.1
81.03341	3.3
82.02852	25.9
83.01257	5.5
84.04430	3.4
85.06469	13.5
87.00743	9.3
93.03368	3.1
95.04917	2.3
97.02793	3.8
98.02357	5.0
100.03905	9.7
107.04903	29.1
110.02354	34.3
110.05994	5.4
111.01927	3.9
111.03155	2.7
112.03205	3.3
112.03922	18.2
112.07555	76.7
113.07898	3.5
122.02345	3.6
124.03908	7.5
124.07574	9.9
125.06030	2.9
126.05497	3.0
126.09126	6.3
128.03360	3.3
130.11047	2.2
134.06047	4.5
136.07585	20.0
137.02385	2.7
137.05946	4.4
138.05455	3.7
140.03383	3.1
140.07083	30.1
152.03439	6.0
152.07095	4.2
153.03008	4.2
154.08636	5.0
168.06607	2.4
170.08109	14.9
180.06583	3.9
196.06075	31.2
196.67828	2.4
198.07643	43.7
200.05528	13.3
214.07108	14.8
221.04782	2.6
242.06662	100.0
242.09024	4.9
243.06479	10.1
243.12279	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	242.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	8.3
65.77100	6.4
68.41827	6.6
71.15554	11.7
73.31701	6.8
73.96828	7.2
78.66626	7.0
82.02853	12.7
83.01258	8.6
85.06467	9.9
95.13295	6.4
97.02802	7.3
106.71902	6.6
107.04908	23.0
110.02391	19.2
112.03958	18.3
112.07571	81.8
124.03951	10.1
126.79321	7.3
136.07549	21.1
140.07082	29.5
152.87569	7.1
170.08118	16.7
196.06070	42.6
198.07637	53.8
203.32320	6.9
214.07086	14.0
242.04413	13.4
242.06621	100.0
243.06668	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	235.1701
Annotation	1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
Peak:m/z	Relative Intensity
59.01244	2.3
61.98710	0.4
63.28925	0.2
70.25571	1.0
71.01256	0.8
73.02822	3.4
80.73487	0.3
85.02805	0.4
94.02872	0.4
101.02327	0.5
151.77577	0.2
163.78773	0.3
191.07089	0.6
234.26414	0.3
235.06187	0.6
235.16995	100.0
236.17328	11.3
237.61818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32546	0.3
57.71371	0.2
65.00198	0.9
66.00962	1.5
68.99677	0.4
69.24358	2.1
71.01246	0.5
73.02808	0.9
82.92111	0.2
86.66312	0.2
87.04404	1.3
89.05952	2.3
94.00535	0.7
98.19754	0.4
101.02367	0.3
121.02838	2.1
124.98691	0.4
149.02376	0.2
149.99490	7.2
165.01868	0.2
177.98999	22.2
178.85466	0.2
178.99416	0.8
183.88741	0.2
193.01353	0.7
205.98505	100.0
206.98889	7.2
221.00868	85.9
222.01233	5.7
236.03239	7.6
236.09966	0.2
237.03568	0.7
237.07623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	0.5
64.73199	0.2
65.79810	0.2
69.18002	1.7
69.18417	0.5
71.01242	0.5
73.02798	0.2
75.88486	0.2
81.54681	0.2
85.02808	0.3
87.04433	0.2
101.02345	0.5
111.04382	0.3
113.02289	0.3
116.57940	0.2
121.02845	0.2
125.02335	0.2
134.03607	0.6
135.04419	0.4
136.05191	0.7
148.05199	9.7
149.05661	0.7
149.09631	1.5
151.07542	0.3
161.63802	0.2
162.06810	0.4
175.07576	0.5
176.08405	0.9
177.09120	45.2
178.09471	3.2
180.07944	0.2
181.52881	0.2
190.09912	2.1
191.06949	0.2
191.10670	0.8
192.11481	35.1
193.11882	3.4
201.09126	0.6
203.07076	0.6
217.08629	3.6
217.10580	0.3
218.09425	9.5
219.09839	0.7
236.10495	100.0
237.05739	0.3
237.10895	9.0
237.14848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71333	0.3
53.76837	0.3
56.44441	0.3
57.03313	0.6
59.01253	12.9
59.85671	0.3
59.96590	0.7
61.98706	0.3
70.50647	0.6
70.51034	0.6
71.01260	0.4
74.98946	10.4
74.99363	0.6
75.96085	0.4
85.02828	0.6
87.00768	1.6
87.31945	0.3
91.02088	10.8
93.00017	4.7
99.00784	0.5
101.02313	0.5
117.01852	0.3
141.01883	0.3
147.73705	0.3
149.00868	5.1
150.00919	0.4
150.98872	0.4
161.04463	2.1
179.05533	7.4
179.07001	0.6
180.05838	0.3
195.08141	0.6
195.13849	0.5
206.99643	3.1
223.02792	100.0
224.02838	12.7
239.03668	0.3
239.07202	0.7
239.12823	0.6
241.03773	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	235.1184
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
53.73959	0.8
55.01758	6.1
57.03324	5.3
58.00465	4.3
59.01250	85.1
60.01573	1.5
69.03324	2.3
71.01254	45.9
71.04881	1.0
72.01579	1.7
72.99184	10.1
73.02819	51.4
74.03149	1.1
76.52829	0.7
83.01258	15.2
85.02821	35.2
87.00755	6.4
89.02319	3.0
95.01236	2.9
97.02814	3.0
99.00765	7.8
101.02323	76.8
102.02654	2.3
112.01511	1.4
113.02330	13.8
124.01546	3.5
125.02345	1.6
133.02876	0.9
135.04391	2.3
143.03290	1.1
147.04369	1.0
159.02844	1.3
161.04466	34.5
161.05841	1.8
163.07562	1.2
169.08569	1.0
170.97292	0.8
191.07030	2.2
221.25128	0.8
235.06181	2.2
235.11830	100.0
236.05524	1.6
236.12202	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	235.1336
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.51480	0.8
55.01776	1.0
57.03335	4.2
59.01248	12.4
61.98696	2.1
67.86282	1.0
69.03323	2.1
71.01252	3.4
71.04920	1.2
71.10902	0.7
71.50890	1.4
73.02814	2.8
81.03321	1.4
83.04894	100.0
84.05228	3.8
84.33790	0.9
85.02831	3.2
89.02300	0.9
89.66583	1.0
93.03339	1.1
94.02859	2.0
95.04903	12.4
95.72169	0.9
97.06457	4.4
101.02323	2.7
105.06974	2.4
106.09995	0.9
107.04903	1.7
109.02850	1.0
109.06499	1.3
113.02297	1.9
115.07420	0.8
119.04878	1.1
121.06518	1.3
123.08047	15.0
124.08469	0.9
133.06468	0.9
135.04440	1.3
135.07988	1.1
140.19902	1.0
148.05202	2.1
149.09689	1.1
161.04530	1.2
163.07561	2.2
163.89265	1.0
173.13277	1.9
191.07101	3.3
191.14336	81.1
192.06483	1.5
192.14688	8.6
193.08485	1.0
205.98558	2.0
207.13988	1.0
217.08711	1.3
220.03719	2.5
221.00746	1.8
223.26282	1.0
235.02208	1.0
235.06065	5.1
235.09727	3.0
235.13393	31.7
235.16891	2.4
236.05643	1.3
236.13713	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97796	3.5
51.76838	3.2
57.03324	4.5
59.01254	74.5
65.32419	3.7
67.01755	6.4
70.76961	7.3
70.77320	6.3
71.01279	17.7
73.02807	4.6
83.01255	6.9
85.02839	4.3
87.00757	6.9
87.45550	3.9
89.15295	3.4
93.03335	13.9
96.95856	4.6
99.00748	8.0
104.03394	6.1
111.00744	5.8
111.04390	3.8
117.05448	14.7
129.01819	11.6
143.07042	4.2
165.89267	3.1
173.04520	18.1
181.61166	3.6
233.06573	11.9
233.10316	10.8
233.15419	100.0
234.09752	7.6
234.15782	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.4
59.96593	0.4
60.97400	0.4
61.52578	0.2
67.01781	0.2
71.05552	0.5
74.98945	8.1
75.00749	0.2
91.02086	1.1
93.00002	3.7
93.03349	1.2
100.13884	0.2
117.64027	0.2
118.96164	1.0
130.94774	0.2
134.99298	7.2
135.99307	0.4
136.97209	2.5
139.80870	0.2
141.07321	0.3
143.05209	0.4
149.00859	72.0
150.00836	4.9
150.98796	0.9
152.96747	0.5
159.08372	1.7
161.06319	4.7
162.06503	0.3
167.01927	0.4
173.04437	1.3
201.04037	0.4
205.04984	0.2
215.05577	1.0
217.07158	98.8
218.07297	11.2
233.10300	100.0
233.15277	9.4
234.10469	12.1
234.15746	1.1
235.08363	0.4
248.79900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1496
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.48173	0.2
51.61476	0.2
59.01253	2.6
60.01598	0.3
71.01244	0.5
71.29936	0.5
73.02810	0.4
81.37452	0.2
85.02785	0.3
89.02296	0.2
101.02331	0.3
113.02293	0.3
115.30457	0.3
127.15255	0.2
140.45325	0.3
151.07498	0.4
155.93579	0.2
157.07375	0.2
179.07014	0.8
191.06996	0.5
207.13821	0.6
218.11758	2.0
219.12279	0.4
234.14944	100.0
235.02460	0.3
235.05991	0.6
235.09920	0.5
235.13008	0.6
235.15247	10.2
241.81914	0.2
245.13750	0.2
251.11577	3.2
252.11967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03323	0.4
57.26701	0.2
66.57504	0.2
71.01241	0.2
71.04875	0.6
71.50629	0.4
80.02534	2.2
81.03329	2.1
83.01245	0.5
83.04896	8.0
84.02044	3.9
84.05226	0.3
93.03334	0.2
95.04885	1.2
97.06460	0.4
109.06438	0.4
111.08044	0.2
125.05968	1.0
125.09590	0.4
127.11265	0.2
135.08037	1.1
144.73720	0.3
147.11671	0.6
163.11203	5.7
164.11511	0.5
165.12758	4.0
166.13097	0.4
181.12241	1.2
183.13882	0.4
183.57419	0.2
191.10771	1.4
199.13333	0.4
209.11771	100.0
210.12103	9.4
227.03424	0.3
227.07079	0.5
227.12874	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	229.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46446	1.1
57.03327	1.3
59.01244	2.1
64.65955	1.1
71.01263	2.0
71.30054	2.6
81.03382	1.3
99.92481	3.2
117.07009	4.1
122.76749	1.4
138.63130	1.3
157.10139	1.3
169.10132	2.1
174.03247	1.3
183.11760	4.6
185.13274	32.7
186.13635	4.7
195.04588	1.2
199.11284	1.4
201.05493	1.6
201.12999	1.4
211.11281	1.5
229.05028	2.4
229.08665	6.5
229.12341	100.0
229.14394	7.8
230.08408	1.4
230.12622	11.9
230.14702	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	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.9
59.00592	1.2
59.01249	39.6
67.01753	2.3
71.01254	7.9
71.12275	1.6
83.01252	1.7
85.02814	1.6
93.03331	10.0
96.95874	1.6
99.00768	1.3
111.00784	1.8
111.04404	0.9
114.93296	1.1
116.00470	1.3
117.05455	2.2
117.78384	1.2
129.01826	5.1
131.03459	1.0
135.04385	1.2
141.09082	1.3
161.06003	1.6
173.04491	9.2
176.31816	1.1
190.02432	1.1
191.06982	1.3
222.65123	1.4
233.04547	3.5
233.06412	2.6
233.08231	2.8
233.15421	100.0
234.15779	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	227.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52522	0.5
58.88093	0.5
59.01237	0.6
61.98706	0.5
64.68708	0.5
65.01277	0.6
70.37356	1.9
70.44691	0.6
70.77190	0.5
77.87646	0.5
83.04873	1.0
91.38444	0.5
96.00997	0.5
97.48546	0.5
98.20480	0.6
99.20927	0.5
116.54338	0.5
124.08617	0.5
125.15528	0.6
137.02368	0.8
138.29709	0.5
143.08565	45.3
144.08916	4.4
153.06975	0.6
155.08539	0.9
157.06604	0.6
157.10135	1.9
161.89186	0.5
165.12782	0.9
166.07727	0.7
167.08578	4.1
168.09402	2.4
171.08018	0.9
181.06534	1.2
181.10175	7.1
182.10477	1.2
183.08414	2.4
183.11717	100.0
184.12053	11.8
185.05978	0.9
199.07625	1.5
199.13293	1.1
204.25887	0.6
209.11797	8.8
220.43571	0.5
220.64406	0.5
227.03383	1.4
227.07458	3.8
227.10754	43.9
227.12781	4.8
227.16518	1.4
227.20163	1.8
228.11093	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
67.57819	0.4
71.04874	0.5
75.96259	0.3
80.02554	2.1
81.03337	1.9
83.01237	0.6
83.04897	7.1
84.02042	3.4
84.99826	0.3
95.04910	1.2
106.25858	0.4
121.15747	0.3
125.05966	1.1
125.09626	0.6
135.08066	0.8
147.11667	0.5
163.11212	6.3
164.11424	0.4
165.12769	4.3
181.12292	1.1
183.00362	0.4
183.13913	0.5
191.10715	1.5
209.11775	100.0
210.12132	9.4
227.12843	3.4
228.13185	0.5
230.43813	0.4
230.45982	0.5
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	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
51.70692	0.6
57.03320	5.4
59.01231	1.2
59.07355	0.6
67.01754	0.6
69.03324	3.0
69.17839	1.3
69.18243	6.0
71.01248	0.8
71.04874	0.8
74.72237	0.6
79.01756	0.7
81.03326	2.7
83.04887	6.5
93.03336	1.4
95.04901	4.5
97.06471	25.1
98.06823	0.9
107.08563	0.7
109.06461	1.2
122.52828	0.6
123.08051	1.0
125.09616	1.0
133.10141	4.3
135.08067	0.9
137.02336	1.5
139.11157	1.3
143.04929	0.8
143.08568	15.6
144.08884	0.9
149.09602	3.8
151.11189	100.0
152.11522	7.7
154.77292	0.7
155.03468	0.7
157.06459	0.8
163.11156	0.9
165.12793	1.0
167.08589	1.8
171.08139	1.0
181.06503	1.2
181.10150	3.9
182.42023	0.6
183.04485	1.2
183.08087	2.3
183.10095	1.8
183.11719	33.8
183.13786	4.3
183.51405	0.7
184.12062	3.6
185.05978	1.4
191.07066	1.0
195.10175	12.3
196.10512	1.2
199.07587	1.8
209.06085	1.4
209.11765	16.3
210.12169	1.3
212.04678	0.9
213.11307	4.4
227.04811	10.3
227.07098	3.9
227.10733	16.8
227.12889	17.4
227.16272	3.3
227.20079	6.6
228.11098	1.7
228.13249	0.9
228.16516	0.7
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	Unknow
Peak:m/z	Relative Intensity
50.09052	0.7
52.45322	0.8
55.41911	0.8
59.01260	1.1
71.49693	1.2
75.00742	1.2
83.04884	0.8
84.58422	0.8
86.77704	0.7
93.03311	1.5
95.01294	1.1
101.02267	1.2
109.02822	2.3
111.08080	0.9
123.00761	1.0
123.04391	1.0
131.52264	0.9
131.79987	0.8
137.02347	22.6
138.03006	1.5
147.69626	0.8
151.03906	1.4
153.05421	1.7
163.11084	1.1
165.01843	88.8
166.02200	5.2
179.03458	1.3
180.04198	97.6
181.04532	6.7
195.02925	31.1
195.06560	100.0
196.03200	2.0
196.06921	7.6
207.10178	1.3
210.05280	53.4
211.05563	4.2
225.00304	0.9
225.07635	49.5
225.11276	2.7
226.07941	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	225.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59506	0.9
57.03315	1.4
58.16213	0.9
59.01258	11.8
68.99686	1.7
69.03323	2.4
70.16700	0.7
71.04903	1.3
73.02814	2.9
80.02554	1.8
81.03344	6.2
83.04913	5.1
84.02043	3.1
93.03331	1.2
95.04899	1.9
97.02835	13.5
97.06522	1.2
98.20576	2.1
99.00713	1.3
99.04377	1.0
101.02319	1.8
106.04112	1.3
107.04948	1.5
109.06480	48.1
109.91617	0.8
110.03621	5.9
110.06790	1.3
112.05853	1.0
121.06482	3.2
123.04409	2.3
125.09614	1.0
135.08046	6.4
136.05148	2.3
137.02335	1.1
142.02612	7.1
145.77496	1.0
151.03867	1.3
161.09634	2.6
161.75343	0.9
163.11214	29.7
164.11545	2.5
165.01842	2.1
174.34846	0.9
179.10727	1.7
180.04230	1.9
181.05040	1.0
181.12273	24.9
182.12636	2.7
189.09203	1.4
195.02928	2.1
195.04626	1.9
195.06471	1.7
197.06021	1.7
207.10223	100.0
208.10596	8.4
210.05319	1.8
225.05687	8.1
225.07671	3.1
225.11292	97.0
226.03314	4.8
226.11653	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01254	5.8
61.98703	7.6
68.99696	1.4
69.03319	1.4
69.83364	1.3
69.83741	3.1
71.01257	0.8
71.04906	0.9
73.02830	2.3
80.02535	0.6
81.03324	2.0
83.04895	2.0
84.02016	1.1
85.02828	1.2
85.90024	0.6
93.03333	2.4
95.04943	1.0
97.02832	12.5
99.00755	1.2
101.02341	1.3
107.04904	0.7
109.06479	21.2
110.03637	3.3
110.06837	1.1
111.04435	0.8
121.06481	2.0
123.04399	1.4
126.90421	0.6
135.08069	3.2
136.05191	2.2
136.98755	0.7
137.02350	2.0
142.02660	6.1
151.03902	1.3
151.11205	0.8
161.09639	1.1
163.11192	17.5
164.11447	1.0
165.01831	1.5
166.07767	1.6
167.03389	0.6
179.08580	9.1
179.10748	1.1
180.04190	1.3
180.08940	0.9
181.06509	0.8
181.08682	1.2
181.10175	6.0
181.12253	15.4
182.12627	1.1
195.02959	2.4
195.06572	1.1
197.06009	1.2
197.11729	0.9
206.99220	0.8
207.10205	78.6
208.10548	7.8
210.05263	2.9
224.80322	0.7
224.90559	0.9
225.00378	1.3
225.05484	2.2
225.07607	3.0
225.11272	100.0
225.14928	3.0
225.92506	1.7
226.11617	8.9
234.22249	0.7
234.54205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
56.27993	0.5
57.03307	2.3
59.01251	8.2
61.98692	2.1
69.03325	7.8
71.01236	1.9
71.04884	2.2
71.49562	0.9
71.49906	0.6
71.77138	0.5
72.08111	0.5
73.02815	0.8
74.98952	1.0
81.03328	0.6
83.04887	1.9
85.02809	0.7
85.06460	1.4
93.00015	0.6
93.03323	1.3
95.04897	1.7
97.06491	1.2
101.02325	1.1
109.06464	2.3
123.04417	0.7
123.08005	1.3
125.09580	0.9
135.11630	0.6
141.09044	1.3
141.86726	0.7
149.09639	2.0
150.05640	0.6
151.03917	1.0
161.13228	1.2
163.03918	0.6
166.06238	1.9
167.10689	11.0
168.11034	0.8
176.83618	1.3
177.12796	1.8
179.08592	4.5
179.10667	5.0
179.14310	11.5
180.08858	1.2
180.14687	0.9
187.11136	0.8
193.01332	2.7
195.13835	34.0
196.14194	3.0
205.12270	22.3
206.12616	2.4
208.03728	3.2
223.02620	4.6
223.06039	2.2
223.13344	100.0
224.02898	0.8
224.13681	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.55012	0.9
57.03315	1.0
59.01257	5.7
69.03330	9.1
70.99483	1.8
71.04899	1.5
83.04903	1.6
85.06438	0.9
95.04945	1.1
102.33739	0.8
109.06481	2.1
125.09543	1.6
130.66130	0.9
149.09627	1.7
162.49944	1.0
163.73181	0.9
167.10672	8.9
177.12708	1.4
179.08551	1.4
179.10716	3.8
179.14326	9.1
180.14731	1.2
193.01309	1.2
195.13852	29.8
196.14212	2.0
205.12302	22.2
206.12680	2.3
223.13359	100.0
224.13725	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	223.028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.0
59.96591	0.8
60.74165	0.2
61.98709	1.1
65.15417	0.2
71.01244	0.6
73.02814	0.5
74.98949	16.1
75.96088	0.9
75.98893	0.5
76.73193	0.2
76.96886	0.2
93.00016	8.7
93.03378	0.2
94.05266	0.2
101.02336	0.5
118.94881	0.2
140.03452	0.2
149.00874	11.9
149.02203	0.4
150.00871	0.7
150.98770	0.8
151.02780	0.2
151.03943	0.4
165.01839	0.4
166.06265	0.9
179.07117	0.4
179.08578	2.7
179.10298	0.3
179.10580	0.2
193.01370	1.6
195.13887	0.7
206.99654	5.4
207.01505	0.4
207.99609	0.8
208.03769	1.6
223.02789	100.0
223.13321	2.0
224.02821	13.5
241.03844	2.7
242.03873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.097
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
57.03318	3.6
59.01249	38.2
67.01773	4.4
68.99672	2.3
69.82614	5.3
69.83024	8.6
71.01262	6.8
73.02818	6.4
80.46952	2.4
81.03313	3.3
83.04916	4.5
85.02819	6.0
87.00795	2.5
89.08758	2.0
93.03331	27.1
101.02348	2.6
106.04072	2.4
108.02065	3.2
111.00775	3.3
111.04418	9.6
121.02802	6.2
123.00795	2.5
123.08051	3.4
135.04483	3.8
135.11693	30.6
137.02344	10.6
148.05219	6.6
149.02330	8.2
149.05922	3.3
151.03880	5.7
152.01048	2.9
155.03389	3.6
161.09648	6.6
163.03925	4.3
163.11201	2.9
164.04720	5.4
165.01884	5.9
173.04485	12.8
174.06772	3.4
179.07147	4.4
179.10704	100.0
180.11017	9.8
181.04980	2.5
187.07600	3.0
193.01433	19.4
196.06152	2.2
203.10727	20.7
208.03758	21.9
208.07465	3.4
223.02713	8.8
223.06070	14.5
223.09778	5.8
223.13332	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	223.0971
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.94503	3.6
57.22770	4.3
59.01244	22.8
62.87922	3.8
71.01270	5.7
71.50705	6.4
71.98397	4.1
73.02821	4.9
83.04902	4.3
93.60531	4.0
109.02769	4.4
114.43652	3.8
126.45865	4.3
135.11670	34.6
161.09663	9.5
165.01840	5.7
179.10695	100.0
180.11116	10.1
190.05449	4.3
193.01387	12.1
208.03741	22.2
223.02654	5.7
223.06065	12.3
223.09734	7.2
223.13490	5.4
226.44179	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	215.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07605	0.7
59.01250	100.0
60.01587	1.7
61.98703	1.0
65.00196	1.2
71.01266	1.5
71.31423	0.7
71.49564	0.8
72.99213	0.8
73.02817	0.8
83.04908	1.1
89.02309	1.3
93.03345	4.3
98.59011	0.7
99.00755	0.8
101.02281	0.6
111.04427	1.5
116.92751	0.7
122.89323	1.1
131.04955	0.8
137.02380	2.8
144.00824	13.0
145.01141	0.7
153.12762	1.0
155.03369	0.9
171.01904	2.2
171.04533	0.8
171.46188	0.8
172.00270	0.8
172.05263	0.9
187.03920	1.5
197.11670	0.9
200.04686	1.8
215.00931	84.7
215.07124	8.8
215.09030	1.6
215.10852	1.2
215.12846	4.7
215.16469	19.1
215.99347	1.2
216.01228	7.2
216.16780	1.8
232.03641	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	221.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95753	0.6
54.94477	0.6
59.01253	12.3
59.01540	0.7
65.00204	1.2
66.00992	2.7
68.99700	0.7
69.03345	1.4
69.38597	5.7
71.01273	1.3
73.02792	1.0
79.76710	0.8
85.02840	1.1
89.10822	0.6
101.02287	0.7
107.01256	4.4
113.02341	0.9
119.01305	2.0
135.00778	10.2
135.04413	0.8
140.04536	0.8
140.68748	0.6
142.35178	0.7
149.99493	7.4
150.03145	1.3
161.04474	0.8
163.00282	22.5
164.00626	1.8
165.01854	1.0
176.04623	1.2
177.05460	1.0
177.99002	13.7
178.99339	1.4
190.99791	91.2
192.00114	6.1
205.01175	0.9
205.98538	48.9
206.02133	100.0
206.98953	4.0
207.02490	7.9
221.01036	8.6
221.04497	26.5
221.08012	1.3
221.11795	1.1
222.04770	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	221.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60964	0.4
59.01251	9.3
65.73196	0.5
70.83743	0.8
71.01245	1.1
71.15997	0.5
73.02829	0.7
77.96503	0.4
83.72277	0.4
85.02856	1.1
86.75178	0.4
89.02358	0.5
90.28495	0.6
95.01260	0.7
98.20515	0.6
99.18491	0.4
101.02306	0.7
105.13828	0.5
107.01305	1.7
113.02376	0.8
119.01299	1.2
119.76834	0.5
129.12070	0.5
135.00800	5.6
136.01129	0.6
149.02477	0.5
149.06065	0.5
150.03169	1.0
151.54686	0.5
161.09805	0.4
163.00272	20.6
164.00638	1.3
177.01915	0.7
190.99791	100.0
192.00111	6.9
205.01347	1.2
206.02142	67.8
207.02487	5.8
214.46761	0.5
221.01016	0.7
221.04494	9.0
221.06410	0.4
221.08130	0.7
221.11674	1.0
221.15385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03325	0.2
59.01250	0.7
61.98713	1.7
69.03323	1.0
69.39874	0.2
83.04899	0.6
98.19776	0.6
121.02860	0.5
123.04375	0.3
124.03973	0.3
125.02317	0.6
137.02350	0.3
139.03870	0.4
153.05414	0.3
155.10730	0.6
165.12782	0.6
167.03477	0.3
167.10760	1.5
167.14343	1.9
175.11246	0.2
181.01297	0.7
181.04942	0.4
183.04373	0.4
183.08072	0.3
183.13847	14.6
184.14165	1.1
185.01550	0.2
193.12285	3.7
194.12675	0.3
196.03662	0.7
211.03978	1.1
211.07671	2.0
211.13353	100.0
211.94687	0.4
212.13693	9.0
229.70337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
59.15410	0.5
59.20182	0.6
62.12698	0.5
65.01316	1.2
68.81398	0.5
68.81783	0.5
70.88968	1.2
97.06453	0.7
106.03998	0.6
134.69344	0.6
144.01822	0.5
151.11201	12.8
152.11601	1.2
169.12265	100.0
170.12604	7.6
171.04427	1.1
172.06297	0.9
183.13849	1.5
185.06038	1.0
185.11935	0.6
186.06766	3.0
187.06110	1.2
195.10254	1.1
195.13815	1.8
195.47017	0.6
200.77924	0.5
208.01604	0.6
213.01802	0.8
213.05614	1.2
213.07518	1.2
213.09277	1.8
213.11256	16.8
213.14851	7.3
213.18356	1.3
214.06366	1.5
214.11583	1.0
214.15193	0.8
219.29239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01251	100.0
61.98696	4.1
64.48911	1.8
71.01189	1.8
71.50125	3.8
76.66114	1.7
83.04886	3.7
85.02823	2.3
96.60527	2.0
97.02847	2.4
125.09605	3.2
147.04503	2.1
150.27921	1.8
169.06506	2.9
169.08655	2.8
169.10110	3.1
169.12254	6.0
177.13184	1.8
183.13771	9.3
185.02495	2.0
185.05984	5.6
186.06804	5.4
195.10141	2.1
195.13788	5.9
213.01880	8.5
213.05536	8.7
213.07556	5.0
213.09149	7.6
213.11189	4.7
213.12856	6.0
213.14888	60.2
213.18524	8.1
214.01453	3.7
214.06366	2.2
214.15219	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90728	0.4
59.01248	1.3
69.70911	0.4
69.71231	3.4
71.01218	0.5
73.02819	0.5
78.75982	0.5
78.98775	0.5
80.02552	2.8
81.03307	2.7
82.87280	0.5
83.04891	8.3
86.00860	0.5
91.01783	0.5
91.60696	0.5
93.03337	0.9
94.02843	0.7
95.04893	1.2
97.06479	1.0
108.02059	0.8
109.02795	0.6
109.06451	0.9
116.02370	0.5
120.02036	0.6
121.02844	17.1
121.10162	0.4
123.04410	0.5
124.03928	2.0
125.05984	1.1
135.04414	0.6
135.08069	1.1
136.01495	0.7
137.02374	0.9
137.06018	0.6
151.03944	0.9
161.02322	1.1
163.11195	7.1
165.05498	0.5
165.12773	3.8
171.96147	0.5
179.03374	2.4
181.05014	0.6
181.12262	1.2
183.06665	0.8
191.10699	1.6
194.02113	1.6
194.05792	2.1
209.04495	4.8
209.11766	100.0
210.07735	1.0
210.12096	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03906	0.3
59.01252	0.8
62.38932	0.3
63.53622	0.3
69.03320	0.9
69.56671	0.3
71.50740	0.6
83.04882	0.9
94.32169	0.3
95.01201	0.4
95.78918	0.3
123.03362	0.3
123.04357	0.6
124.01574	0.8
125.02318	0.4
134.64638	0.3
139.03937	0.4
148.01544	0.4
151.11205	0.4
152.01038	0.5
155.10722	0.4
165.12743	0.8
167.03412	0.9
167.10654	0.6
167.14288	1.4
181.01381	0.8
181.05054	0.8
181.12173	0.6
183.13834	15.4
184.14149	1.3
193.12267	4.6
195.74071	0.3
196.03749	1.8
211.06021	1.4
211.13339	100.0
212.09258	0.4
212.13676	10.2
218.89435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
51.54418	0.5
51.90823	0.4
52.44856	0.4
55.21376	0.5
59.01245	1.6
59.21472	0.4
61.12912	0.4
61.98713	3.7
65.95107	0.4
66.68745	0.4
69.03320	1.3
69.99407	1.5
70.53391	0.5
81.03344	0.9
83.01252	1.9
83.04893	1.8
85.02820	0.7
91.01751	0.8
93.03320	1.1
94.02861	1.9
95.01254	1.0
95.04912	1.4
97.06480	0.9
97.82061	0.4
108.02063	0.6
109.02846	1.2
109.06482	0.7
121.02845	56.6
122.03136	2.9
123.00784	0.9
123.04392	1.0
124.03928	4.3
125.02332	1.3
125.09592	1.3
133.02838	0.7
135.04410	2.4
136.01558	1.4
137.02333	1.5
137.05977	1.7
138.03134	0.6
139.03922	0.7
151.00369	0.4
151.03928	1.4
161.02312	2.2
163.11255	0.8
165.01794	0.6
165.05489	2.8
165.09058	1.0
165.12775	1.3
166.02611	0.5
166.38603	0.5
167.10663	1.5
176.04686	1.0
178.99782	1.0
179.03448	5.5
180.03822	0.5
181.04950	0.5
181.12234	0.9
191.03496	0.6
191.10719	0.8
194.02036	2.2
194.05798	5.2
209.04492	10.2
209.06223	1.7
209.08264	4.1
209.11772	100.0
209.94847	1.3
210.04816	1.4
210.08289	0.5
210.12132	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	209.1177
Annotation	Oxyphyllenone A
Peak:m/z	Relative Intensity
55.01761	1.9
57.03336	5.1
57.59988	0.7
59.01245	2.1
61.98701	5.3
63.43738	0.6
69.03312	1.9
71.01252	14.4
71.04891	2.0
73.02800	1.8
79.23782	0.7
80.02543	2.4
80.72520	0.7
81.03321	3.7
83.01262	9.5
83.04898	8.7
84.02034	1.9
85.02787	0.9
88.14563	0.7
91.01756	1.5
93.03332	2.0
94.02841	1.5
95.01270	1.1
95.04906	4.4
97.02822	2.2
97.06463	5.8
98.19740	1.1
105.03329	1.0
107.04903	1.8
108.02016	1.0
109.02832	1.6
109.06462	1.5
111.08041	1.5
115.54256	0.7
121.02841	71.0
121.06469	0.9
122.03190	2.8
123.00754	0.9
123.08025	2.2
124.03932	6.1
125.02318	2.5
125.09614	12.8
126.07114	0.6
128.60204	0.7
133.02817	0.8
133.06337	0.7
134.03654	0.7
135.04405	2.6
135.08069	1.7
136.01559	1.4
137.02356	1.6
137.05949	2.2
137.09534	1.0
141.40851	0.6
145.10106	2.4
147.04323	0.7
147.08070	0.9
147.11682	2.3
151.03911	2.2
151.11189	20.6
152.11545	1.6
153.09081	0.9
153.12764	2.1
161.02370	2.9
161.09636	1.3
163.11191	10.6
163.14690	0.7
165.01868	1.1
165.05502	2.7
165.09163	1.1
165.12767	14.4
166.13100	1.3
167.10696	1.1
167.84782	0.8
173.09641	2.1
174.95699	0.8
176.04712	1.4
178.99779	1.2
179.03435	7.5
179.10706	4.5
180.03548	0.8
181.04987	0.8
181.06499	0.9
181.12256	31.0
182.12596	1.5
189.35400	0.7
191.07016	0.9
191.10710	15.5
192.11064	1.2
194.02077	2.6
194.05821	7.5
195.06149	0.7
209.00845	0.8
209.04488	14.6
209.06224	1.8
209.08272	4.3
209.11769	100.0
209.94832	1.3
210.04913	1.1
210.07709	0.8
210.12090	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	209.1177
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.84539	0.3
57.32933	0.3
57.45020	0.3
59.01232	0.7
61.90110	0.3
65.01308	0.4
69.03321	0.3
69.41009	0.3
71.01270	0.4
71.50296	0.6
80.02545	2.9
81.03330	1.9
83.04900	8.1
84.05257	0.4
86.24838	0.3
87.00755	0.3
93.03336	0.7
94.02857	0.5
95.01280	0.4
95.04903	1.1
97.06445	0.4
105.03356	0.5
109.02817	0.6
109.06469	0.5
120.02057	0.3
121.02844	12.5
122.03152	0.6
123.04391	0.4
124.03918	1.3
125.05973	0.9
135.04375	0.7
135.08052	1.1
137.06026	0.4
151.03914	1.1
161.02345	2.8
163.11203	6.7
164.11485	0.5
165.05524	0.5
165.12758	4.6
166.06224	0.4
166.13078	0.3
167.03528	0.3
176.04675	1.0
179.03427	5.3
180.03697	0.5
181.05049	0.5
181.12279	1.0
183.06659	0.7
191.07022	0.5
191.10803	2.0
194.02107	0.6
194.05789	5.4
209.04565	3.0
209.11772	100.0
210.07820	0.5
210.12120	9.0
212.80533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.6
59.01243	12.3
61.98698	2.1
69.03327	22.9
71.01235	1.7
71.04886	3.7
81.03300	1.3
83.04895	5.8
92.54722	1.2
93.03345	3.9
94.02876	3.2
95.01331	1.4
95.04882	3.5
97.06468	3.1
98.20577	2.7
109.02790	1.2
109.06448	2.3
111.08025	4.9
121.02841	61.4
122.03215	3.8
123.04387	1.4
124.03932	6.4
127.07477	1.8
135.04414	2.4
135.08043	3.4
137.02354	2.0
137.05960	2.2
139.07547	1.6
147.11700	3.0
151.03920	1.7
153.09125	7.4
161.02341	5.7
163.11154	4.3
165.05479	1.7
165.09099	4.6
165.12767	21.8
174.54976	1.3
176.04758	2.7
179.03426	9.6
181.12273	24.4
182.12628	2.5
183.06761	2.0
191.10709	24.5
192.11118	2.3
194.02121	3.0
194.05803	7.6
209.04404	11.5
209.06165	3.1
209.08203	4.8
209.11765	100.0
210.12053	8.6
229.23253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
55.01740	1.2
57.03325	5.0
58.00757	0.8
59.01233	4.6
61.98699	6.8
65.00190	1.3
66.03322	1.0
66.04245	0.8
69.03324	3.3
70.47701	1.0
70.48043	3.0
71.01250	13.4
71.04895	1.4
73.02792	1.7
80.02540	1.8
81.03320	3.8
83.01260	7.3
83.04900	7.7
84.02035	1.3
87.70202	0.8
91.01756	1.4
92.99675	1.8
93.03328	2.6
94.02863	3.8
95.01253	1.6
95.04905	4.0
97.02836	1.7
97.06487	6.7
107.04920	1.3
108.02046	1.8
109.02865	1.1
111.08038	2.0
120.02045	1.1
121.02840	93.0
122.03124	5.3
123.00789	1.6
123.04368	2.2
123.08029	1.9
124.03942	11.0
125.02299	1.5
125.09605	10.5
133.02885	1.1
135.04407	2.5
135.08051	1.5
136.01572	1.9
136.98633	0.9
137.02338	2.5
137.05971	3.2
138.03053	0.9
139.03860	1.0
145.10161	2.1
147.11688	2.4
149.09552	1.2
151.03903	2.6
151.11180	18.4
153.12759	1.9
161.02307	3.9
163.02327	1.0
163.03867	0.9
163.11182	10.4
164.11528	1.5
164.98199	1.1
165.05469	2.7
165.09129	1.8
165.12767	18.6
166.02611	1.7
167.03360	1.5
167.10738	1.6
173.09596	1.5
176.04652	1.8
178.99791	2.8
179.03403	10.0
179.10692	5.1
179.35504	0.8
181.04991	1.0
181.12265	22.1
182.12567	1.5
191.10699	12.8
192.11011	1.7
194.02122	3.9
194.05768	9.1
209.00801	1.1
209.04486	19.6
209.06172	2.0
209.08183	5.3
209.11763	100.0
209.94771	2.1
210.04897	1.6
210.07713	1.1
210.12108	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	209.1178
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
55.94342	1.0
57.03316	4.3
59.01242	14.4
62.49680	1.0
67.93633	1.0
69.03324	29.9
70.03637	1.2
71.01241	2.1
71.04884	4.0
81.03329	1.5
83.04893	4.7
90.43338	1.1
93.03326	3.0
93.48020	1.1
94.02861	1.7
95.04879	3.5
97.06446	1.9
108.05684	1.7
109.06466	2.5
111.08023	5.8
120.02021	1.2
121.02838	27.9
121.10112	1.6
122.03166	2.1
124.03925	3.6
127.07535	2.0
133.91124	1.1
135.08025	2.6
139.07538	2.4
147.11647	1.4
153.09119	9.1
157.93167	1.2
161.02315	1.6
163.11160	4.5
165.09082	3.2
165.12767	22.9
166.13179	2.6
173.09528	1.4
179.03409	3.3
181.12268	22.2
182.12660	1.6
191.10693	26.6
192.11073	2.5
194.05800	3.7
209.04503	5.2
209.11765	100.0
210.12126	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	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01761	3.5
57.03337	2.3
59.01241	1.0
61.59179	0.3
61.98704	0.8
63.47002	0.3
65.99695	0.5
69.03324	1.5
69.19672	1.4
69.20099	2.5
71.01241	0.7
71.04898	1.1
80.02541	0.9
81.03327	4.9
83.01262	31.1
83.04905	4.9
84.01602	0.7
84.02055	1.5
84.05252	0.4
85.02845	0.5
87.78590	0.4
92.99734	0.5
93.03326	0.8
94.02875	1.3
95.01244	0.4
95.04910	1.8
97.02822	0.4
97.06471	5.8
98.20527	0.6
106.04127	0.6
107.04941	0.4
108.02083	0.5
109.02860	0.8
109.06467	0.9
111.08041	0.7
119.04877	0.4
121.02850	29.4
122.03151	1.1
123.04389	0.4
123.08044	2.5
124.03913	2.9
125.05986	0.7
125.09620	24.3
126.09968	1.2
131.60242	0.3
134.03651	0.4
135.04439	0.9
135.08080	2.4
136.01605	0.4
137.02338	1.4
137.05988	1.2
139.03922	0.4
147.11714	1.1
147.94484	0.3
150.03064	0.5
151.03900	0.6
153.12746	0.5
161.02339	0.9
161.09734	0.8
163.11203	11.7
164.11545	1.1
165.01836	0.5
165.05496	1.2
165.09111	0.5
165.12756	3.9
167.10666	0.6
175.37845	0.4
179.03445	3.5
179.10634	0.4
180.03827	0.4
181.06487	0.5
181.12279	1.8
191.10727	8.6
192.11024	1.4
194.02171	1.0
194.05824	3.1
209.04492	4.5
209.11781	100.0
210.04958	0.4
210.12131	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	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
58.97718	0.5
59.01263	1.6
61.98706	4.0
65.00208	1.2
69.52581	1.6
69.53002	2.1
71.01251	0.6
75.39600	0.5
80.02552	0.7
81.03351	1.1
83.01262	1.1
83.04908	3.3
85.02833	0.9
91.01797	0.8
93.03327	2.7
94.02868	2.3
95.01300	1.2
95.04903	3.7
97.02910	0.7
97.06473	1.0
105.03342	9.2
107.04915	1.2
109.02882	1.3
109.06501	0.6
111.04414	0.6
119.48235	0.5
120.02072	1.1
121.02843	60.1
122.03131	2.8
122.06111	0.5
123.00780	0.8
123.04433	2.0
123.08064	0.6
124.03939	5.0
125.02371	0.9
133.02834	5.3
135.04431	1.6
135.08163	0.5
136.01520	0.5
136.98723	0.6
137.02379	1.2
137.05934	2.3
139.00383	0.5
139.03862	0.7
147.04419	1.0
149.02362	0.8
149.04408	0.6
150.03142	1.1
151.03917	30.6
151.07541	0.8
151.11177	0.6
152.04280	1.3
161.02348	63.4
162.02690	4.0
163.11180	1.0
165.01918	0.7
165.05505	2.8
165.06892	1.1
165.09091	0.7
165.12750	1.7
166.02710	0.7
167.03502	0.5
176.04706	29.6
177.05078	3.2
179.03416	100.0
180.03732	6.6
181.04997	1.0
181.06528	0.8
181.12254	0.6
191.07066	9.6
191.10561	0.8
194.02202	3.1
194.05779	76.0
195.06120	5.0
209.01073	0.5
209.04480	9.9
209.06175	2.1
209.08121	25.3
209.11758	30.9
209.15060	3.3
209.94821	1.3
210.08344	1.1
210.12025	2.6
211.77086	0.5
216.23169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26197	0.3
67.01767	0.6
69.43262	0.3
71.08407	0.7
79.43912	0.3
81.03332	0.4
81.53532	0.3
83.04864	0.4
95.04916	0.5
97.06453	0.4
105.03345	1.4
107.04900	0.4
109.02847	0.5
111.04399	0.5
119.19459	0.3
121.02847	8.4
123.00840	0.3
123.04413	8.5
123.05304	0.5
124.03941	0.8
124.04742	0.3
133.02820	0.7
135.04419	0.6
137.02336	0.5
149.02348	0.4
151.03912	23.9
152.04268	1.3
161.02345	8.7
161.03731	0.4
162.02744	0.7
164.01042	0.5
165.05469	1.8
176.04703	4.4
177.05096	0.3
179.03413	100.0
179.21864	0.3
180.03738	6.4
183.06633	0.5
191.07072	2.0
193.04979	0.6
194.05774	76.6
195.06117	5.9
209.04834	2.0
209.08130	18.6
209.11606	3.6
210.08434	1.8
210.11998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03320	18.1
58.00473	2.6
58.03651	1.2
59.01253	20.6
60.01567	1.1
68.99686	2.4
71.01252	13.6
71.48541	1.4
72.99196	2.0
73.02814	2.5
75.00755	1.4
83.01257	7.1
83.26109	0.9
84.02049	4.4
85.02818	36.8
86.03159	2.1
87.00745	39.0
87.04379	1.7
88.01125	1.2
88.71230	0.9
89.02316	7.3
91.98409	1.1
94.02883	1.5
96.95918	1.8
97.02834	2.4
99.00765	5.4
101.02341	3.0
101.03843	10.5
101.65047	1.0
104.04937	2.9
111.00743	2.7
112.98614	1.2
115.03873	2.6
117.01844	2.9
119.02252	4.8
119.04888	2.3
121.02824	9.0
123.04430	1.7
124.03937	4.2
129.00885	1.9
129.01839	29.5
129.03372	3.2
130.02213	1.9
135.04431	2.9
137.05997	2.5
137.38867	1.0
141.01860	2.2
142.99757	5.0
145.02846	11.3
147.04419	100.0
148.03908	3.9
148.04800	4.7
151.03947	2.1
159.02908	6.4
165.05502	3.2
166.05042	7.7
173.00925	2.2
173.02386	5.3
179.03413	2.9
189.43726	1.0
194.02119	3.6
194.05789	1.7
198.76007	1.0
209.04498	14.6
209.06607	38.2
209.08015	1.8
209.11832	2.8
210.05011	1.7
210.07024	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	207.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	10.2
57.03312	7.1
58.00468	8.2
59.01249	28.0
67.01756	2.4
67.33951	1.5
68.99678	2.6
69.03323	27.1
70.77461	4.7
71.01252	29.0
72.01606	1.9
72.99170	7.3
73.02818	26.6
75.00761	2.4
79.01775	4.4
81.03316	12.7
83.01258	41.2
83.87712	1.6
84.01591	2.7
84.02033	12.9
85.02818	23.2
85.99975	3.9
87.00751	30.7
89.02287	4.0
95.01267	20.3
97.02824	56.0
99.00752	16.4
99.04395	6.9
100.01541	8.2
101.02317	8.5
107.01273	1.9
108.02051	3.7
109.02821	4.5
113.02331	4.4
115.02627	1.4
115.03896	34.1
117.01823	14.8
123.00761	10.1
123.04419	1.6
124.01568	12.7
125.02333	35.9
126.02657	1.7
135.04378	2.7
139.03915	3.8
140.01060	3.0
141.01830	6.7
142.02612	23.5
143.03319	2.3
149.02304	4.5
151.75394	1.6
155.03418	3.0
157.04961	6.8
163.00227	2.2
163.03937	2.5
173.04442	8.5
175.06038	100.0
176.06412	5.1
177.01872	18.9
187.06026	2.1
189.07632	3.3
192.04228	23.0
207.02979	3.7
207.04854	2.5
207.06590	10.6
207.08662	50.3
207.10512	3.0
208.09030	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
58.00257	0.6
58.00470	7.0
58.02849	1.7
59.01249	44.3
68.99683	1.8
69.03323	3.5
69.89068	3.6
71.01253	14.6
72.99178	10.5
73.02812	8.2
75.00745	2.0
79.01769	0.9
81.03364	0.8
81.22578	0.7
83.01244	5.5
84.02042	1.7
84.99186	1.4
85.02821	2.3
87.00748	11.1
89.02312	9.7
95.01245	1.2
97.02832	4.1
98.20486	1.0
99.00752	7.9
99.04413	1.2
99.75214	0.7
100.98673	1.3
101.02322	2.4
101.99456	2.0
103.00286	1.5
111.00765	1.9
112.01097	3.9
112.98679	3.4
115.00307	1.1
115.03901	2.4
116.00610	1.1
117.01820	100.0
117.05483	1.1
118.02238	0.7
118.03221	1.2
123.00828	1.0
124.01588	1.3
125.02304	3.7
126.02680	1.3
129.01817	3.4
130.99765	18.3
142.02634	1.3
142.99721	0.8
143.03458	1.1
144.00533	4.5
145.01328	9.8
157.01300	3.6
159.02988	0.7
175.06053	8.2
189.04019	1.5
192.04330	1.3
206.04176	4.9
207.05069	5.4
207.08658	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	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05996	0.6
58.02845	37.8
59.01246	1.5
68.73602	0.6
68.94579	0.5
70.02851	11.8
71.01269	0.6
72.00771	6.2
73.02824	0.9
91.05399	7.9
92.05760	0.8
98.19663	1.4
102.68559	0.6
117.01842	1.6
119.04885	1.3
130.56461	0.8
135.04405	2.3
147.04422	34.9
148.04765	1.7
162.05598	0.9
162.09201	1.9
164.07082	100.0
165.07426	6.9
165.44302	0.7
175.06023	0.7
177.01852	1.8
192.04233	2.0
206.08160	33.1
207.06653	1.5
207.08543	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	206.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06959	0.9
58.02849	63.5
59.01243	3.8
64.39303	0.9
68.47321	0.8
69.03320	1.0
70.02853	11.4
71.01263	2.1
72.00771	5.4
83.24731	0.8
91.05416	6.7
97.02839	1.6
98.20683	1.8
107.01212	1.1
117.01804	4.1
123.04382	1.3
125.02375	1.0
135.00716	1.9
135.04410	1.3
147.04425	40.3
148.04808	1.9
162.09167	2.1
163.00343	1.8
163.03870	1.4
164.07091	100.0
165.07454	7.1
175.06070	2.8
177.01886	5.5
179.49429	0.8
190.99750	3.0
192.04193	5.2
206.08182	36.1
207.02928	1.2
207.06694	1.6
207.08536	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	207.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09545	0.5
55.01763	2.7
56.56934	0.5
57.03317	1.2
58.00470	7.0
59.01249	32.6
63.07165	0.6
67.01759	0.7
68.99687	1.3
69.03324	6.9
70.35424	2.3
71.01251	15.6
72.99177	5.8
73.02814	8.1
77.43126	0.6
79.01752	1.5
81.03326	2.4
83.01255	10.0
84.02019	2.7
85.02814	4.5
85.99982	1.2
87.00746	6.1
89.02315	10.0
93.03325	0.7
95.01282	3.2
97.02826	9.8
98.30483	0.6
98.86433	0.6
99.00753	6.7
99.04414	1.4
100.01544	1.9
101.02310	1.8
101.99461	1.9
109.02803	0.9
113.02354	1.4
115.03895	5.0
117.01820	100.0
118.02171	2.7
123.00799	2.0
124.01544	2.3
125.02337	6.5
138.53470	0.6
141.01819	1.1
142.02631	4.3
157.05074	0.7
173.04431	1.1
175.06032	17.1
176.06407	0.6
177.01877	3.2
189.03979	1.4
189.07605	1.5
192.04195	4.3
207.03131	0.9
207.04878	3.1
207.06697	1.2
207.08609	9.1
207.10478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0504
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
54.52179	0.6
55.01741	1.1
57.03334	0.6
58.00467	5.8
59.01249	29.4
69.03333	1.5
70.32770	1.1
70.33163	1.2
71.01254	8.9
72.99187	4.9
73.02821	4.6
75.00743	0.8
81.03323	0.7
83.01254	4.8
84.02039	1.1
85.02830	1.4
85.99963	0.6
87.00745	2.7
89.02321	8.7
92.84937	0.6
95.01262	0.9
97.02820	2.3
99.00759	3.4
100.01567	0.8
101.99475	2.1
111.00771	0.9
113.02331	0.7
115.03889	2.1
117.01823	100.0
117.05443	1.3
118.02151	2.6
124.01595	0.8
125.02338	2.1
142.02615	1.0
159.02832	0.7
175.06035	3.6
177.01938	0.8
189.03957	1.5
192.04202	0.8
207.05026	5.7
207.08623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47697	0.5
55.01760	4.8
57.03327	2.5
58.00470	8.6
59.01250	32.5
62.10620	0.5
64.40176	0.5
67.01759	0.7
68.99698	1.7
69.03324	17.0
69.03697	1.0
70.86748	1.0
71.01253	20.6
72.99178	7.7
73.02814	13.1
75.00732	0.8
79.01778	2.5
81.03327	6.8
83.01256	20.1
84.02039	6.3
85.02821	12.8
85.99953	2.5
87.00749	14.9
87.04391	0.9
88.01557	0.8
89.02313	9.9
95.01263	7.5
96.01607	0.6
97.02827	27.4
98.03104	0.6
99.00755	10.4
99.04400	3.3
99.38850	0.5
100.01546	5.1
101.02323	5.5
101.99446	1.5
103.03870	1.3
108.02084	0.7
109.02836	1.9
110.00015	0.6
113.02319	2.3
113.05997	0.7
114.03130	0.6
115.03898	12.6
116.04227	0.7
117.01820	100.0
117.05470	1.8
118.02164	2.8
121.02825	1.1
123.00764	5.1
123.04385	0.7
124.01560	6.5
125.02335	18.3
127.00279	0.7
127.03915	0.9
129.01784	0.9
130.99747	0.9
132.00069	0.7
135.04419	0.6
139.00262	0.8
139.03877	0.9
140.01028	1.5
141.01814	4.2
142.02608	10.5
143.03319	0.8
149.02315	2.2
155.03395	1.9
157.04993	2.7
159.02957	0.5
163.07445	0.6
173.04449	3.3
175.06035	48.3
176.06386	3.2
177.01845	8.2
178.02248	0.6
189.03923	1.1
189.07526	2.5
192.00429	0.5
192.04216	8.1
193.04520	1.0
207.02831	1.5
207.04955	5.8
207.06627	3.3
207.08623	24.7
208.09042	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	205.1228
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
57.03053	2.6
57.03323	50.0
58.02826	1.6
59.01237	3.0
67.02882	1.6
69.31277	1.2
69.66234	4.0
69.66656	5.0
71.01251	1.5
72.99171	1.8
82.54694	1.5
83.04889	1.8
87.00750	2.0
95.04951	1.5
98.20557	1.8
107.04894	2.0
117.92638	1.5
120.05694	9.2
121.05075	3.2
122.03629	7.6
123.07979	1.6
133.06505	2.4
135.08057	21.8
141.75656	1.7
147.04407	2.9
147.08075	10.4
148.08372	1.7
152.04668	4.7
157.06488	6.4
160.21379	1.5
161.06003	3.1
161.09622	5.4
162.06699	3.0
163.11194	51.2
164.07053	1.8
164.11537	4.8
171.08061	2.6
175.07562	94.6
176.07858	7.0
177.09132	1.6
177.12732	1.9
187.02193	10.1
187.11237	10.3
189.09129	36.7
190.09889	25.3
205.03207	2.2
205.04948	3.3
205.12276	100.0
205.15833	4.9
206.12617	10.6
222.08928	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
56.74649	0.1
58.02840	0.3
58.69569	0.1
59.01238	0.2
61.98707	0.1
70.25941	0.5
71.01260	0.3
85.02773	0.1
115.00249	0.2
147.04405	0.2
161.06007	0.2
162.89217	0.2
164.07074	0.3
175.37689	0.1
189.12796	1.5
190.02661	0.2
190.13094	0.2
205.01408	0.5
205.05089	0.7
205.15909	100.0
206.08186	0.4
206.16246	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	205.1228
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.09859	0.9
52.43060	0.9
55.01739	1.5
55.57193	1.0
57.03323	46.4
58.02840	4.3
59.01251	5.8
65.01302	1.1
65.99712	1.8
69.03325	2.4
71.01253	5.0
71.02929	0.9
71.50717	1.1
72.99200	2.3
75.00767	1.5
82.03970	1.3
83.04885	2.2
85.02817	2.1
87.00740	2.7
87.34552	1.2
91.05445	1.2
93.03313	1.7
95.04906	1.3
99.00776	2.2
106.21689	1.0
107.04906	4.2
107.93060	0.8
109.03904	1.3
109.06482	1.1
111.00787	1.2
115.00257	4.2
117.03345	1.8
119.02363	1.0
120.05684	8.7
121.02796	1.3
121.05079	9.0
121.06461	1.6
122.03625	6.3
123.08065	1.8
124.98721	1.4
131.04868	1.1
133.02847	2.9
133.06526	3.4
135.04454	2.3
135.05440	1.1
135.08040	19.7
136.05080	1.3
136.08391	1.8
145.10193	1.6
146.03639	1.4
147.04404	2.3
147.08067	13.7
148.08516	0.9
149.05962	2.3
149.09673	2.0
152.04684	5.8
157.06496	7.0
159.04333	1.0
160.05080	1.4
161.02341	2.8
161.05997	6.3
161.09622	3.5
162.03159	1.5
162.06715	3.1
163.00272	1.6
163.03882	1.0
163.06105	1.3
163.11191	47.0
164.07051	6.8
164.11513	4.9
171.08063	3.0
175.07562	100.0
176.04707	1.8
176.07901	9.0
177.01947	2.1
177.05493	2.6
177.09138	2.2
177.12755	1.7
178.06157	1.2
185.09744	1.0
187.03973	1.3
187.11171	8.9
189.09125	33.9
190.02621	2.2
190.06265	2.5
190.09930	21.4
190.99768	5.8
191.10255	2.7
205.01422	2.6
205.05013	11.2
205.07002	1.6
205.08681	5.7
205.12286	89.0
205.15810	9.9
206.04570	2.1
206.08212	3.2
206.12669	9.6
222.08934	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	205.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	46.1
58.02843	4.0
58.03651	1.2
59.01244	6.7
65.01310	1.9
65.99710	3.8
67.01758	1.1
67.02893	1.5
69.03315	2.1
70.35857	1.0
71.01248	6.2
71.50700	1.6
72.99182	6.0
73.02812	1.9
75.00741	2.5
82.03973	1.3
83.01258	1.5
83.04900	2.6
85.02828	2.0
85.06476	1.2
87.00754	2.0
93.03309	1.7
102.95557	1.1
106.03972	1.5
107.02392	1.2
107.04916	4.1
109.03934	1.8
109.06480	1.4
111.00696	2.3
115.00257	3.8
117.03359	1.5
119.02375	1.8
119.04860	1.3
120.05672	9.1
121.03991	2.2
121.05089	6.1
122.03625	6.8
123.07999	2.3
125.02353	2.4
131.04890	1.6
133.02859	2.2
133.06456	4.9
134.03511	2.4
135.04410	2.4
135.08058	17.5
136.05055	2.3
145.04951	1.4
145.10172	1.6
147.04446	2.7
147.08058	11.9
149.05943	3.1
149.09599	3.2
152.04671	5.5
157.06546	6.8
159.04491	1.2
159.08064	1.8
161.02330	2.4
161.05983	7.9
161.09590	6.6
162.06738	4.7
162.89284	1.3
163.06151	2.8
163.11197	51.4
164.04553	1.6
164.07063	3.7
164.11539	4.5
171.08066	3.6
175.07562	100.0
176.04768	2.2
176.07918	9.2
177.01903	1.6
177.05528	2.5
177.12749	2.8
178.02449	1.4
178.06174	2.1
187.07552	1.9
187.11208	10.7
189.09138	33.4
190.02596	2.3
190.09909	25.9
190.99677	5.4
191.10309	2.1
205.01414	3.1
205.03348	2.2
205.05077	12.5
205.07092	2.9
205.08714	5.9
205.12279	98.8
205.15881	7.9
206.12624	9.8
222.08913	9.1
223.09349	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	205.0347
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
51.84822	0.4
55.01754	3.4
57.03327	3.9
58.00462	1.9
58.02851	0.5
59.01251	32.8
60.01593	0.7
60.99174	0.6
67.01760	5.4
68.99686	5.7
69.03294	0.9
69.45728	2.9
69.46150	1.2
71.01252	32.9
72.01588	0.9
72.99181	26.2
73.02818	15.7
73.99522	0.5
75.00746	17.6
76.35768	0.4
80.99704	0.7
81.03323	3.2
83.01260	6.2
83.04884	0.5
84.99191	0.9
85.02824	6.3
87.00749	46.8
88.01081	0.9
89.02321	2.1
96.99193	3.5
97.99957	0.7
99.00756	18.5
99.04398	4.4
100.01085	0.7
100.98672	1.7
101.02324	11.6
103.00263	4.3
111.00764	100.0
112.01128	3.3
112.98695	4.6
113.02325	0.8
115.00259	41.8
115.03917	1.3
116.00597	1.9
117.01828	11.3
118.03183	0.6
124.98711	4.9
125.02344	9.9
125.06001	0.8
126.07646	0.4
127.00267	4.6
129.01828	8.9
130.99756	13.3
131.03368	0.8
133.01305	0.5
142.99767	11.7
143.03398	8.4
143.07045	0.7
144.00540	4.0
145.01331	15.6
145.04956	1.8
154.99771	11.0
156.00044	0.6
157.01314	3.6
159.02856	0.9
161.04379	0.8
161.97641	0.6
169.01295	0.6
173.00810	6.8
175.02411	4.0
187.02397	1.1
205.01601	0.9
205.03461	8.6
205.05226	0.8
205.07115	2.0
205.08904	0.6
205.10724	0.6
206.04227	4.6
207.03267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.9
58.02842	2.8
59.01248	64.0
60.28191	2.4
60.99160	2.5
68.99684	11.1
70.23242	3.3
71.01255	79.7
71.47934	5.0
72.99175	50.8
73.02824	11.0
74.87218	2.9
75.00741	38.6
81.79793	2.9
83.01254	12.3
84.56850	2.7
84.57401	2.4
85.02813	2.8
87.00744	48.7
89.02345	5.3
96.99181	7.4
99.00765	27.2
100.98638	3.1
101.02328	11.1
103.00266	7.6
111.00788	16.1
112.98692	10.1
115.00249	100.0
117.01823	12.0
124.98689	9.6
127.00235	11.5
129.01883	14.7
130.99759	28.4
142.99748	28.2
144.00510	8.6
145.01326	42.9
154.99791	12.7
157.01324	7.7
173.00838	4.5
175.02435	8.0
188.84480	2.6
205.03329	5.6
205.05067	5.5
205.12378	3.6
205.15863	11.1
206.04265	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	201.9574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19785	1.3
53.44145	1.3
59.01251	100.0
60.01575	3.3
61.98703	11.2
71.01242	1.4
71.48292	1.6
73.02808	1.5
99.92461	99.5
100.92469	6.1
103.91911	4.9
104.97631	5.4
115.91906	1.8
116.92738	14.6
117.92733	1.6
119.94587	1.3
121.02833	2.6
130.94189	1.5
131.47543	1.4
141.09109	1.8
141.93542	95.3
142.93555	7.5
148.95296	1.7
159.04396	3.1
159.89304	8.6
160.89175	5.1
169.43562	1.3
170.44600	1.4
175.03941	1.8
188.04713	2.1
189.01019	1.1
201.95660	3.9
202.02731	1.4
202.05031	2.3
202.11499	1.4
202.94073	2.4
203.03407	5.2
203.05533	3.3
203.07205	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	203.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40557	0.4
57.03322	3.1
59.01247	1.7
65.01350	0.4
65.99720	0.7
69.03346	0.4
69.90496	2.3
71.01241	0.5
72.99188	0.5
73.02821	0.5
91.02882	0.6
111.08032	1.2
113.09607	4.2
116.05001	0.4
123.08050	1.1
127.11184	4.0
134.03526	0.8
136.05022	0.4
137.09628	1.0
139.11154	2.4
141.09132	2.8
143.07063	1.4
146.03479	0.6
155.10692	7.9
157.12257	41.4
158.06039	1.1
158.12590	3.6
159.04498	0.8
161.04579	0.7
174.03165	1.0
175.03932	0.7
176.04585	0.8
185.11836	0.9
193.96014	0.4
201.11302	1.0
203.03465	1.0
203.05521	1.0
203.07164	1.5
203.12830	100.0
204.06561	1.5
204.13148	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	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03315	4.0
59.01245	2.1
65.01271	0.5
65.66061	0.6
69.63383	2.7
69.63795	0.9
71.04881	0.9
72.99176	0.6
81.27977	0.4
85.22974	0.5
86.95372	0.5
93.52975	0.5
111.08054	2.1
113.09586	5.7
114.15150	0.5
122.05074	0.5
123.08043	1.6
127.11167	4.7
137.09615	1.0
139.11200	2.4
141.09129	2.6
143.07022	0.6
155.10677	10.3
156.11011	0.9
157.12254	47.2
158.05974	0.7
158.12579	2.7
175.03886	0.6
176.04590	0.9
185.11745	1.0
201.11288	1.0
202.99591	0.6
203.07104	1.5
203.12827	100.0
204.06583	0.6
204.13161	8.0
208.56068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01239	1.9
65.01306	0.9
69.03329	1.9
71.01273	0.8
71.50933	0.8
83.04904	0.7
85.02811	0.6
95.01261	1.6
95.04875	0.5
99.04368	0.6
103.58145	0.4
105.29002	0.4
109.06458	0.6
111.00758	0.8
121.02827	2.1
123.00766	7.7
125.02358	0.9
126.90400	1.0
135.08147	0.5
137.09636	0.5
138.03145	2.5
141.09096	0.8
143.03539	0.5
144.05565	0.7
151.11174	1.3
153.05463	1.5
153.09119	2.1
153.12746	4.6
154.12218	0.6
156.05621	0.8
162.83719	1.3
166.99756	6.0
169.12248	18.8
170.12582	1.0
175.36348	0.5
179.10683	2.3
182.02113	12.0
195.32935	0.5
197.02742	0.8
197.04475	3.9
197.05980	1.2
197.08163	2.4
197.11757	100.0
197.80643	0.8
198.03889	0.6
198.12085	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	197.154
Annotation	cis-2-Dodecenoic acid
Peak:m/z	Relative Intensity
59.00959	0.6
59.01247	10.0
69.87079	0.5
71.01248	1.0
78.23670	0.4
81.03325	0.6
93.03332	0.7
95.01266	2.7
97.02861	0.7
99.27805	0.5
109.02817	1.7
116.92721	0.9
121.02833	2.6
123.00767	9.8
125.02340	1.5
125.09583	0.5
126.90392	0.9
137.02325	1.4
138.03127	3.4
140.01105	0.4
153.01852	0.8
153.05478	2.8
153.09090	0.9
153.12759	1.3
160.84088	1.2
161.73056	0.5
162.83836	3.5
166.99760	7.0
168.00189	0.5
178.99763	0.8
179.03415	0.8
179.14278	2.7
182.02133	12.5
182.05710	0.9
197.04459	5.0
197.06059	0.8
197.08133	1.5
197.11703	3.3
197.15396	100.0
197.80704	1.6
198.15730	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.09649	0.3
55.01758	0.7
57.03314	0.5
59.01247	1.2
61.98686	1.0
69.03333	1.1
71.01271	0.5
71.04890	1.2
71.05628	0.9
81.03362	0.6
83.02369	0.4
83.04896	0.9
85.02797	0.4
93.03345	0.3
94.04111	0.5
95.01251	2.1
95.04902	0.7
97.06469	14.9
98.06787	0.5
99.08041	5.0
102.43639	0.3
107.04956	0.6
109.02836	0.9
109.06474	1.0
110.00070	0.4
111.08043	0.4
113.64786	0.3
121.02848	2.1
122.03668	2.0
123.00774	7.0
123.04398	0.8
125.02346	1.4
125.06009	0.4
125.09607	0.9
126.03105	1.1
126.90374	0.8
135.08054	0.6
137.02316	0.5
137.09618	1.6
138.03169	2.0
139.00290	0.4
144.05611	0.4
150.61674	0.4
151.11208	1.2
153.01857	0.5
153.05455	1.8
153.12756	100.0
154.13103	7.6
155.08603	1.2
156.05670	0.5
160.84100	3.0
162.83821	7.4
166.99777	5.2
169.12241	0.9
179.03442	0.5
179.10701	20.8
180.11111	2.0
181.01115	0.3
181.06314	0.4
182.02121	11.8
182.07317	0.6
183.02657	0.7
195.08197	0.6
197.02290	1.0
197.04460	3.6
197.06038	2.3
197.08078	1.2
197.09669	4.6
197.11775	9.4
197.15434	0.5
197.80707	4.9
198.12143	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	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.15482	0.2
59.01245	1.9
60.20474	0.3
60.92117	0.2
61.98694	0.9
65.00159	0.3
69.03319	2.4
71.01228	0.3
71.49911	0.4
74.94827	0.3
75.80098	0.3
81.03319	0.5
83.01273	0.3
83.04900	1.3
85.02804	0.5
93.03306	0.4
95.01268	2.1
95.04907	0.4
97.02815	0.4
97.06473	0.5
99.08018	0.4
109.02822	1.1
109.06474	0.4
111.00797	0.4
111.04372	0.8
116.92778	0.4
121.02818	1.9
123.00771	7.0
123.04405	0.6
123.08033	0.8
124.01070	0.3
125.02328	1.0
125.09608	0.7
126.90394	0.8
135.07962	0.4
135.11694	0.4
137.02376	0.7
138.03122	2.7
141.09119	0.9
151.11172	1.0
153.01813	0.4
153.05492	1.8
153.09145	1.7
153.12759	4.7
154.13072	0.4
155.08557	0.4
160.84106	2.2
162.83818	6.8
166.99765	5.0
169.06552	0.4
169.12251	17.8
170.12596	1.3
178.99800	0.3
179.03368	0.7
179.07016	0.4
179.10669	2.2
182.02126	11.7
182.05672	0.4
183.02367	0.7
196.91161	0.3
196.98338	0.4
197.04536	4.0
197.11754	100.0
197.80724	4.0
198.12099	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.09953	0.2
59.01257	0.7
61.98711	0.6
69.79165	1.2
71.01250	0.4
73.02819	0.3
95.04944	0.3
97.02859	0.4
107.04947	0.3
108.02024	0.3
108.04435	0.3
109.02872	0.3
109.06471	4.5
111.08032	3.5
121.02837	0.5
122.03617	0.9
123.00747	0.4
123.04419	0.8
124.01511	0.5
125.02367	0.4
125.09606	1.0
135.04413	0.5
135.11703	0.5
136.01598	0.4
137.02328	0.6
138.06715	0.5
142.45744	0.2
150.03137	1.3
151.03856	0.7
151.07567	0.4
151.11084	0.3
160.84111	3.8
161.92374	0.3
165.01825	1.3
165.05466	1.0
167.14325	7.6
168.14711	0.5
177.05400	0.3
179.10670	5.2
180.02954	0.2
180.04210	2.0
180.11252	0.6
195.02908	0.7
195.06560	1.7
195.13835	100.0
195.80989	1.6
196.14172	8.2
204.79149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92068	0.2
59.01255	1.6
61.98691	0.8
65.00188	0.3
68.99719	0.3
69.03337	2.1
69.44323	0.2
71.01230	0.4
71.04890	0.3
72.14999	0.2
81.03316	0.3
82.02875	0.3
83.04889	1.6
87.00745	0.2
93.03299	0.2
95.01258	1.3
95.04887	0.4
97.02850	0.5
97.06457	0.6
104.48023	0.2
107.04929	0.5
109.02824	1.0
109.06435	0.3
111.00780	0.3
111.04407	0.4
117.50339	0.2
121.02849	1.7
123.00766	5.6
123.04409	0.2
123.08060	0.6
125.02330	1.0
125.05969	0.4
125.09595	0.5
126.90353	0.5
130.99103	0.3
134.86441	0.5
135.04425	0.3
135.08047	0.5
137.02315	0.7
137.09616	0.3
138.03114	2.0
139.03839	0.3
141.09088	1.1
151.11201	1.4
153.01849	0.5
153.05447	1.4
153.09111	1.7
153.12752	5.1
154.01300	0.2
154.13103	0.3
155.08528	0.4
160.84148	1.8
162.83823	6.0
166.99774	4.3
167.10635	0.3
169.06499	0.3
169.12250	17.9
170.12582	1.2
178.99710	0.2
179.10678	1.8
182.02124	8.9
182.05656	0.3
183.02492	0.4
196.05220	0.6
197.04472	3.7
197.06026	1.3
197.11754	100.0
197.80722	2.8
198.07961	0.3
198.10143	0.4
198.12091	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	195.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.5
59.01007	2.9
59.01254	33.8
67.02854	3.3
67.35962	2.3
71.01257	13.2
71.47900	2.3
72.99179	6.2
75.00311	4.9
75.00744	100.0
79.24220	2.5
85.02811	10.2
87.00735	23.5
89.02297	15.4
96.95894	5.1
97.02856	2.9
99.00748	10.8
101.02348	4.7
105.01823	16.5
107.04885	3.4
111.00740	6.6
123.04454	3.3
127.71384	2.2
129.01823	39.7
137.02361	5.1
141.01828	4.5
147.02882	6.7
150.03081	5.2
151.03864	4.9
151.04971	2.3
159.02919	14.7
160.84116	24.0
163.04913	2.8
165.01865	9.8
165.05461	2.5
177.03966	13.2
180.04218	8.3
195.03253	3.9
195.05016	87.1
195.06728	6.2
195.81033	8.7
196.05363	3.5
212.45026	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	195.0657
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.94226	0.6
59.01252	1.1
69.34919	3.7
72.10648	0.5
73.02837	0.5
83.04905	0.8
93.03339	4.4
95.04956	0.9
100.19954	0.5
101.02348	0.6
104.06732	0.5
108.02060	0.8
109.02831	1.2
121.02841	5.8
122.03644	15.4
123.00791	1.0
123.04420	1.7
124.01582	0.8
133.02875	1.2
135.04475	0.5
136.01585	1.6
137.02333	1.7
149.01105	0.6
149.02351	21.8
150.03137	100.0
151.03448	6.0
151.07561	0.8
152.00923	0.5
153.02945	0.9
164.04686	4.4
165.01834	2.8
165.05489	76.0
166.05836	5.2
180.04204	12.1
187.27678	0.5
195.01051	0.5
195.02881	1.1
195.04562	1.1
195.06563	7.4
195.13799	0.8
196.06291	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	195.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
65.01347	0.5
69.03336	0.4
71.01269	0.8
71.50549	0.6
73.02820	0.5
81.03342	0.5
82.03994	0.5
83.04901	0.7
84.23248	0.4
93.03342	4.0
95.01251	0.4
95.04913	0.8
97.02792	0.5
98.82614	0.4
107.04947	0.5
108.02065	0.6
109.02856	1.1
121.02860	6.5
122.03632	13.5
123.00766	0.5
123.04404	1.4
124.01521	0.7
125.02320	1.0
129.45480	0.4
133.02884	1.3
135.04463	0.6
136.01535	1.3
136.05228	1.0
137.02357	2.8
137.05974	0.5
142.04002	0.8
149.02347	22.0
150.03131	100.0
151.03435	5.7
151.07629	0.8
151.11131	0.5
152.01068	0.7
152.04362	1.1
164.04684	3.3
165.01845	5.0
165.05484	83.5
166.05827	5.1
167.04868	0.6
169.05179	0.8
177.05409	0.6
180.04204	13.0
181.04533	0.6
195.02901	1.2
195.04729	0.8
195.06534	9.9
195.10242	0.9
196.06236	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	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36954	2.3
55.01748	12.3
57.03315	14.5
58.00455	6.0
59.01249	91.5
62.07184	2.3
65.46558	2.1
67.75845	2.5
69.03320	21.6
70.15471	11.7
71.01249	77.2
72.01620	3.5
72.99178	36.8
73.02817	67.6
74.71059	2.2
75.00748	5.8
79.01780	3.3
81.03342	4.9
83.01257	27.5
85.02821	100.0
85.99965	8.5
86.03148	3.4
87.00748	76.7
89.01189	2.3
89.02303	13.5
95.01265	16.6
95.04885	3.0
97.02827	27.1
99.00748	51.2
101.02319	87.8
103.00247	28.6
111.00741	16.7
112.01546	3.2
113.01165	8.3
113.02328	34.8
115.03891	6.9
117.01834	4.6
118.50165	2.3
123.00751	7.4
124.01517	2.7
125.02331	14.4
129.01791	5.0
129.31360	2.4
131.03398	21.5
134.03612	5.4
140.01057	4.4
141.01837	32.7
149.05942	3.0
155.03392	10.5
159.02794	2.7
161.04468	95.8
162.04793	7.1
169.21245	2.4
175.02473	2.1
175.06020	35.4
178.02614	9.5
193.03366	5.5
193.07204	93.3
194.07474	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	193.071
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
54.36954	2.3
55.01748	12.3
57.03315	14.5
58.00455	6.0
59.01249	91.5
62.07184	2.3
65.46558	2.1
67.75845	2.5
69.03320	21.6
70.15471	11.7
71.01249	77.2
72.01620	3.5
72.99178	36.8
73.02817	67.6
74.71059	2.2
75.00748	5.8
79.01780	3.3
81.03342	4.9
83.01257	27.5
85.02821	100.0
85.99965	8.5
86.03148	3.4
87.00748	76.7
89.01189	2.3
89.02303	13.5
95.01265	16.6
95.04885	3.0
97.02827	27.1
99.00748	51.2
101.02319	87.8
103.00247	28.6
111.00741	16.7
112.01546	3.2
113.01165	8.3
113.02328	34.8
115.03891	6.9
117.01834	4.6
118.50165	2.3
123.00751	7.4
124.01517	2.7
125.02331	14.4
129.01791	5.0
129.31360	2.4
131.03398	21.5
134.03612	5.4
140.01057	4.4
141.01837	32.7
149.05942	3.0
155.03392	10.5
159.02794	2.7
161.04468	95.8
162.04793	7.1
169.21245	2.4
175.02473	2.1
175.06020	35.4
178.02614	9.5
193.03366	5.5
193.07204	93.3
194.07474	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	193.0501
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.09053	0.2
55.01741	0.3
55.26756	0.1
58.00446	0.2
59.01255	1.3
65.46545	0.2
68.17451	0.2
69.03325	0.7
69.66860	1.1
71.01260	2.3
72.17539	0.2
72.99183	0.3
73.02821	2.2
81.03326	0.3
83.01268	1.0
85.02820	2.6
85.99978	0.4
87.00735	1.9
89.03853	2.6
93.03349	0.4
95.01282	0.5
97.02841	1.0
99.00761	2.0
101.02330	2.6
106.04150	0.8
108.02065	0.3
109.02834	0.3
111.00751	0.6
113.02328	0.8
117.03355	4.1
121.02835	0.9
121.06495	0.2
122.30165	0.2
123.00770	0.5
124.01543	0.3
125.02339	1.0
133.02879	1.3
134.03639	100.0
135.03973	6.4
137.02347	4.0
138.02718	0.2
139.03909	1.3
141.01855	0.8
142.02658	0.2
149.02298	0.4
149.06001	5.5
149.07170	0.3
150.03123	0.8
150.06387	0.3
155.03410	0.3
161.04477	4.3
165.01884	0.3
175.06053	0.3
178.02641	13.6
179.02989	0.8
191.05467	0.2
193.01341	0.6
193.05022	9.7
193.07103	3.4
193.08827	0.3
194.05418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50105	0.3
51.02292	0.3
54.47584	0.2
55.01747	1.1
55.90333	0.3
57.03319	0.8
58.00463	0.3
59.01248	2.8
68.99678	0.4
69.03323	1.8
69.36116	2.2
70.55561	0.3
71.01252	4.5
72.99174	0.6
73.02818	4.8
79.01768	0.4
81.03331	0.8
83.01260	1.9
85.02824	5.3
85.99961	0.7
87.00748	5.3
87.46137	0.3
89.02319	0.5
89.03845	4.3
93.03331	0.3
95.01259	1.0
97.02849	2.5
99.00761	3.9
101.01707	0.5
101.02327	6.4
106.04135	0.9
108.02105	0.5
109.02798	0.4
111.00752	1.0
113.02351	1.5
115.03891	0.5
117.01819	0.5
117.03352	8.8
121.02853	0.8
121.06470	0.3
123.00776	0.6
123.04483	0.5
125.02320	1.7
126.02679	0.3
126.51735	0.3
133.02879	0.5
134.03632	100.0
135.03958	5.1
137.02347	1.7
139.03926	0.5
140.01076	0.4
141.01819	2.7
142.02541	0.4
149.05992	4.7
150.03111	0.6
155.03400	0.5
156.73785	0.3
161.04468	8.9
162.04741	0.6
165.01938	0.3
170.42064	0.3
173.04373	0.4
175.06012	0.7
176.74626	0.3
178.01184	0.6
178.02640	7.3
179.03041	0.6
193.01367	0.6
193.05017	12.2
193.07104	8.4
193.08675	0.7
194.05476	0.5
194.07455	0.4
209.72377	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.05
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
59.01250	0.7
62.08756	0.1
69.03301	0.2
69.34312	1.1
71.01257	0.8
72.99165	0.2
73.02819	0.8
74.75038	0.1
75.20090	0.1
81.03345	0.1
83.01253	0.4
85.02827	0.8
85.99925	0.1
87.00752	1.0
89.03838	7.3
90.04183	0.4
97.02807	0.4
99.00768	0.6
101.02324	1.3
106.04136	1.2
106.71431	0.1
111.00756	0.1
113.02322	0.3
117.03344	12.9
118.03703	0.7
119.04903	0.3
121.02820	0.2
123.00826	0.1
125.02361	0.3
133.02850	0.4
134.03629	100.0
135.03952	5.7
137.02328	0.8
139.03894	0.2
141.01831	0.6
149.05983	3.8
150.03081	0.2
150.06348	0.3
161.04453	1.6
175.06006	0.1
178.02625	2.3
179.02983	0.2
193.05000	10.4
193.07060	1.6
194.05382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0761
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
54.77190	0.5
57.03321	0.7
59.01249	4.2
63.14279	0.4
65.01287	0.5
65.99734	0.7
69.03314	0.6
69.40302	3.4
71.01270	0.5
71.04896	5.7
81.03318	0.5
81.04456	0.5
83.04913	0.6
85.02831	0.5
85.06464	0.6
87.00761	0.9
91.02914	0.7
91.81944	0.4
99.00706	0.5
99.08032	38.2
100.08366	2.0
101.02274	0.5
101.05943	1.5
106.03993	0.9
107.02412	0.5
109.02831	1.0
113.02383	0.6
117.03336	1.8
119.02366	0.8
120.04459	1.2
125.87901	0.4
127.07538	36.2
128.07878	1.6
129.05467	100.0
130.05780	3.4
131.03462	0.4
131.07593	0.4
133.02872	0.8
143.07004	0.7
145.02843	0.6
145.08606	6.0
146.03523	0.6
147.06615	0.7
148.05058	1.0
161.02362	7.7
161.05919	0.6
161.07112	1.3
162.03059	1.1
162.06625	0.7
163.06255	0.5
164.03331	0.5
171.02934	0.9
171.06566	6.9
189.01857	13.4
189.05598	2.2
189.07619	41.8
189.11197	1.6
190.02417	1.0
190.07857	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0344
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.10052	0.2
53.52172	0.2
56.04929	0.2
57.03323	1.0
59.01253	1.4
61.49785	0.2
65.54192	0.2
66.04766	0.2
67.01758	0.5
68.99709	0.2
69.03323	0.2
69.09695	0.2
71.01254	0.8
71.50939	0.3
72.99174	0.2
73.02812	0.7
77.03863	0.2
81.03323	0.3
83.04917	0.5
85.02829	10.8
86.03178	0.3
87.00755	6.7
91.01775	0.3
93.03338	2.6
99.00719	0.2
99.04401	0.3
101.02325	0.4
104.02538	0.5
106.04002	0.3
108.02052	0.2
109.02841	0.6
111.00776	11.0
111.04407	0.4
112.01079	0.4
113.02322	0.2
119.01270	0.3
119.04916	1.8
119.08540	0.3
121.02852	100.0
122.03181	5.5
127.03865	1.3
129.01846	0.8
135.04451	0.4
147.00757	0.2
147.04424	6.6
147.05611	0.3
147.08070	1.0
148.01566	0.5
148.04858	0.4
149.02336	0.2
163.00302	1.3
163.03923	0.7
171.02931	0.2
173.00922	0.3
173.04486	0.7
176.01053	2.7
176.04590	0.2
177.01782	0.3
177.04266	0.2
191.00027	1.2
191.01897	1.2
191.03493	7.6
191.05557	30.0
191.06853	1.3
191.10722	0.7
192.03801	0.7
192.05949	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	187.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.5
59.01250	100.0
60.01577	1.8
61.98693	1.4
66.78764	0.8
71.01225	1.4
71.04858	1.3
71.49248	0.8
71.49623	1.2
72.99183	0.8
73.02790	0.9
83.04885	1.6
92.12478	0.8
93.56837	0.8
97.06460	6.5
99.00778	1.0
99.04394	1.3
99.07980	0.9
102.38345	0.8
115.03881	1.2
116.04935	0.9
118.02869	1.3
123.08041	2.9
125.02311	1.2
125.05984	1.3
125.09612	46.7
126.09917	3.0
141.12762	1.5
141.86713	1.8
143.04922	2.4
143.06990	1.5
143.10706	1.1
144.04451	2.6
149.81297	0.9
159.04410	2.6
159.87715	1.3
169.08664	1.7
172.05247	1.0
187.03882	6.1
187.06024	2.7
187.07590	6.9
187.09668	20.7
187.13269	12.9
188.03339	1.8
188.10011	1.2
188.13759	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	188.0557
Annotation	L-2-Amino-6-oxoheptanedioate
Peak:m/z	Relative Intensity
50.00246	0.5
55.01746	1.6
57.03313	2.1
59.01247	5.0
62.26236	0.6
65.03826	1.9
66.03366	0.6
67.01749	1.4
68.01286	17.0
68.99670	1.2
69.01612	0.6
69.03312	2.7
70.03608	0.6
70.69152	1.6
71.01254	17.8
71.04886	0.6
72.99174	5.1
73.02818	11.4
75.00733	1.5
80.01278	1.9
80.61821	0.5
80.95898	0.5
81.03336	5.2
82.02849	2.4
83.01250	3.4
83.04887	1.6
85.02824	73.7
86.03159	2.1
87.00749	100.0
88.01080	2.2
89.02318	46.7
90.02692	0.8
95.01274	0.6
97.02838	2.2
98.02357	44.0
99.00758	8.0
99.02673	1.4
99.04406	1.6
101.02327	8.7
103.00248	1.4
103.03895	4.1
108.02060	1.2
108.04433	5.3
109.02837	31.8
111.00777	4.0
112.03954	1.6
113.02335	1.1
114.05511	1.2
115.00271	2.6
115.03802	0.5
117.03361	0.9
117.05416	0.6
124.03934	1.4
125.02344	11.1
126.01857	2.3
126.02719	1.4
126.05504	1.1
126.09917	0.7
127.00262	2.4
127.03905	31.3
128.03429	10.2
129.01830	8.0
141.01765	0.8
142.04990	2.1
142.99733	0.7
143.03302	0.9
144.06506	0.7
147.02882	2.8
152.02252	0.5
152.03461	2.6
153.01834	10.8
161.02356	8.0
170.04501	20.1
171.02907	54.0
188.05571	62.4
189.00284	1.2
189.01868	9.4
189.03960	7.0
189.05823	3.2
201.33363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1332
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
57.03327	1.3
59.01249	100.0
60.01585	1.7
61.98701	0.9
67.01772	0.3
69.03316	0.4
69.28674	2.8
71.01259	0.7
71.04896	0.7
79.73857	0.3
83.04911	0.5
87.04404	0.5
90.97009	0.4
91.02878	0.3
97.06455	2.2
98.20537	0.5
99.00720	0.7
113.05980	0.3
115.02874	0.3
115.03844	0.4
118.02938	0.4
120.19114	0.4
123.08035	1.0
124.37794	0.3
125.05991	0.6
125.09611	16.3
126.09939	0.9
133.03860	0.4
136.25450	0.3
141.12767	1.1
141.86676	2.7
143.04915	1.2
144.04387	0.9
145.05074	0.6
157.03047	0.3
158.03627	1.0
159.04408	2.4
159.87755	1.5
160.03877	0.5
160.05064	1.2
163.65057	0.3
168.88832	0.7
169.08670	0.5
172.05215	1.3
186.89848	0.4
186.95467	0.5
187.03960	3.5
187.06065	1.7
187.07568	7.0
187.09663	8.2
187.11389	0.6
187.13306	12.3
188.03433	12.8
188.07985	0.4
188.10025	0.4
188.13651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	6.2
57.03312	10.0
58.33421	4.0
58.96738	4.2
59.01240	19.4
67.01777	5.0
68.99679	10.3
69.72767	26.4
71.01258	59.3
71.04879	10.9
72.41173	3.8
83.01266	9.9
83.04925	5.6
85.02808	6.7
89.02321	15.4
96.99203	7.8
97.06464	9.2
98.20532	4.8
99.00761	35.9
99.04402	71.9
111.00757	4.9
115.03869	15.6
125.02324	10.4
125.05952	12.0
125.08746	7.6
125.09617	100.0
127.00221	14.8
129.01840	7.5
142.99754	12.4
143.03377	17.2
143.07082	12.4
154.99748	6.2
157.01335	6.7
159.04329	5.3
169.08652	4.9
187.02423	17.7
187.03972	13.3
187.06062	11.6
187.08025	7.9
187.09683	57.4
187.13316	6.4
188.03336	7.2
208.93785	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	187.097
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
52.51757	0.5
55.96054	0.5
58.02845	0.7
59.01255	100.0
60.01593	1.8
65.01344	0.7
69.37856	5.7
71.71051	0.6
75.67723	0.6
83.04893	1.0
97.06479	1.0
99.08043	25.8
100.08396	1.5
118.03953	0.6
125.09614	6.0
127.07545	17.3
128.07906	0.8
133.03983	1.4
134.97688	0.6
136.53717	0.6
145.08618	86.8
146.08948	4.4
160.04985	1.3
172.05234	1.8
177.85843	0.6
187.03917	1.1
187.06134	1.1
187.07602	5.0
187.09688	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	187.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16359	0.4
57.03331	0.4
59.01250	99.4
60.01588	1.5
65.01318	1.6
65.16632	0.4
65.99728	1.2
67.19487	0.4
69.03330	0.5
71.01244	0.4
71.50662	0.9
71.51048	0.5
87.00741	0.7
91.02899	1.1
95.43918	0.5
97.06476	1.8
99.04387	0.8
99.08035	28.5
100.08375	1.6
102.22973	0.5
117.04478	0.4
117.05440	0.4
118.04018	1.1
119.02374	0.8
123.08028	0.6
125.09620	8.6
127.07541	18.2
128.07887	0.9
130.04008	0.9
132.05548	0.6
133.03981	2.1
143.03508	0.6
143.07048	0.9
144.04428	0.8
144.05542	0.7
145.08604	100.0
146.03493	0.9
146.08937	5.8
147.04274	1.1
159.04468	0.6
160.05087	3.8
161.04613	1.0
168.88896	0.5
172.05267	0.8
187.04001	1.4
187.06189	3.0
187.07637	2.4
187.09702	4.9
187.11215	0.9
187.13324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.95
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.2
69.03316	2.4
70.81601	1.5
70.81946	1.6
71.01250	10.1
73.02809	3.4
75.27951	1.1
83.01252	3.1
83.52110	0.9
85.02817	7.0
87.00754	30.7
89.02315	2.3
95.01253	1.2
97.02824	2.6
99.00765	7.3
101.02314	2.4
113.02341	1.2
117.01829	3.6
125.02327	3.9
131.43614	0.9
134.96001	17.2
135.04404	1.4
135.96025	2.1
136.93904	100.0
137.93996	9.1
141.01840	3.0
151.92622	18.2
152.92709	1.2
161.04465	12.1
164.00882	1.1
178.94974	41.1
179.05547	14.7
179.95105	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	179.0553
Annotation	myo-Inositol
Peak:m/z	Relative Intensity
55.01762	2.4
55.60651	1.4
57.03320	3.7
58.00452	1.6
59.01247	35.7
69.03309	3.8
70.66122	4.0
71.01252	32.3
71.04903	3.1
72.99169	13.8
73.02812	15.2
75.00746	96.4
81.03323	6.7
83.01259	3.8
85.02826	23.7
86.85013	1.6
87.00747	93.5
89.02319	9.9
91.02122	1.5
95.01286	3.4
97.02827	7.6
99.00763	22.2
101.02309	11.5
101.04491	1.7
113.02324	6.9
117.01797	14.2
121.02897	2.1
125.02323	12.3
129.01831	3.2
131.03346	2.0
135.04414	7.2
141.01836	8.3
143.03409	9.8
159.02890	2.9
161.04459	55.0
162.04723	3.2
177.03935	3.5
177.74417	1.6
179.05527	100.0
180.05893	5.3
186.72420	1.5
195.29111	1.6
196.96611	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	187.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.7
62.19248	1.5
69.45679	4.4
69.46079	7.4
71.01260	2.7
71.04872	2.1
72.21877	1.7
98.02332	2.5
98.20612	3.6
99.00803	1.9
99.04394	100.0
100.04716	3.4
101.27944	1.8
115.03920	1.7
125.02332	23.8
125.05946	1.9
142.04977	2.0
143.03400	20.5
187.02361	4.2
188.09117	2.3
204.95230	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	177.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94633	0.1
57.03325	0.1
59.01248	0.2
63.02262	2.6
64.40157	0.1
65.00194	2.3
65.01302	0.3
65.03819	0.3
65.99721	0.2
67.01759	1.3
67.02889	0.2
68.99688	0.7
71.01257	0.4
71.75298	0.1
73.02815	0.3
75.00745	0.3
77.03831	0.2
79.01752	0.1
81.03346	0.2
87.00752	0.3
89.00221	0.9
89.02314	0.1
89.03847	4.9
90.04191	0.2
91.01771	5.1
93.03341	0.5
95.04899	1.2
99.00761	0.2
105.03345	1.5
107.01272	2.6
107.02369	0.3
109.02149	0.2
109.02839	2.5
110.03214	0.2
111.00761	0.2
112.23724	0.1
117.08552	0.1
121.02855	1.2
122.53085	0.2
123.04413	1.3
129.01834	0.2
130.85823	0.1
132.02052	0.3
133.02855	7.7
133.06476	0.3
134.03297	0.4
135.00783	3.3
135.04384	0.3
147.00783	0.3
149.02364	1.6
149.05930	0.2
150.02805	0.1
151.00255	0.3
153.01888	0.3
159.04413	0.3
162.03143	2.5
163.03537	0.2
177.01857	100.0
178.02197	6.7
182.45007	0.2
186.72957	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	177.0186
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
50.68434	0.1
56.33202	0.1
58.02839	0.2
59.01241	0.5
60.05757	0.1
63.02264	2.6
65.00194	2.2
65.01317	0.4
65.03813	0.3
65.99714	0.5
67.01765	1.3
67.02866	0.3
68.01287	0.2
68.99683	0.5
69.03350	0.1
69.49068	0.5
69.49496	0.5
71.01251	0.6
72.01587	0.1
72.99171	0.1
73.02834	0.3
77.03859	0.3
79.01737	0.2
81.03347	0.2
82.03983	0.2
83.01241	0.2
85.02817	0.2
87.00740	0.4
89.00200	0.9
89.02306	0.1
89.03842	4.5
90.04189	0.2
91.01768	4.4
93.03332	0.5
95.04906	1.0
97.03912	0.1
99.00749	0.2
105.03346	2.0
106.03960	0.3
107.01270	2.6
107.02357	0.2
107.04922	0.2
109.02834	2.4
109.03941	0.2
111.00747	0.3
119.02422	0.1
121.02840	1.2
121.03631	0.1
121.04044	0.1
122.03364	0.1
123.01945	0.2
123.04398	1.0
129.01826	0.2
130.74623	0.1
131.03363	0.2
132.02066	0.3
133.02849	7.4
133.06500	0.3
134.03297	0.5
134.05994	0.2
135.00771	3.1
135.01810	0.2
135.04391	0.5
135.05428	0.2
136.04961	0.3
137.02345	0.1
147.00725	0.3
149.02344	1.7
149.03459	0.2
149.05952	0.3
150.03003	0.3
150.06647	0.2
151.00243	0.4
151.05017	0.3
153.01871	0.4
159.04460	0.2
162.03137	3.6
163.03632	0.2
177.01849	100.0
178.02193	6.8
178.04784	0.3
178.06209	0.2
178.08640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0186
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
53.27337	0.3
57.03329	0.4
58.05238	0.3
59.01250	0.9
65.01316	0.3
65.99708	0.5
67.01747	0.3
68.99706	0.3
69.46723	2.0
71.01250	1.3
73.02841	0.3
75.00741	0.5
77.03848	0.9
81.03332	2.3
85.02841	0.5
87.00758	0.6
89.02321	0.6
89.03843	9.7
90.04157	0.6
93.02850	0.3
93.03349	1.9
93.03843	0.3
95.04893	1.7
99.00745	0.7
101.14556	0.3
105.03345	17.0
106.03658	0.7
107.01299	0.4
109.02858	0.8
119.13906	0.3
121.02853	2.0
129.01814	0.3
133.02849	32.8
133.06511	0.6
134.03166	1.9
135.04449	0.5
139.03893	1.0
149.02357	4.3
150.02975	0.6
159.04362	0.4
162.01767	0.4
162.03136	7.0
163.03549	0.4
177.01854	100.0
178.02214	6.9
178.06140	0.4
178.08636	0.5
183.64912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01752	6.7
57.03325	5.3
59.01250	7.9
60.99173	1.7
65.03831	2.4
67.01762	9.7
68.16816	1.0
68.99709	1.3
69.03326	4.5
69.81129	1.1
70.55927	3.6
70.56270	1.0
71.01254	68.7
71.04890	1.7
72.01563	1.4
72.99185	7.3
73.02821	47.8
74.03160	1.6
78.96360	1.1
80.99691	1.9
81.03331	4.8
83.01243	5.9
83.04903	16.9
85.02827	24.4
85.06464	15.4
86.05999	1.3
87.00757	3.8
93.03338	100.0
94.03671	4.9
96.99198	2.3
97.68849	1.1
99.00758	33.0
99.04401	12.9
99.54923	1.1
101.02324	2.2
109.02832	2.2
111.00764	42.3
111.04404	47.4
111.08067	1.2
112.01097	1.6
112.04760	2.2
112.98701	7.8
115.00247	2.8
116.59727	1.1
122.46619	1.1
124.98692	15.9
125.99377	1.5
128.07036	1.5
129.01840	8.2
129.05498	1.7
130.04907	1.1
131.08142	6.9
137.02344	19.0
138.02666	2.2
142.99765	24.8
143.03392	3.1
154.99767	4.9
155.03409	18.7
173.00862	9.8
173.04466	20.3
174.01212	1.2
174.07664	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	173.0811
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
52.30090	0.5
52.79541	0.5
53.57485	0.5
55.01758	1.4
57.03324	4.6
58.00450	0.9
59.01252	22.8
60.99172	2.0
65.01313	2.6
65.03838	1.0
65.99728	2.0
66.00840	0.5
67.01762	14.6
69.03326	5.1
71.01253	7.6
71.05180	1.0
72.99189	1.7
73.02821	21.9
74.03120	0.6
77.01329	0.9
81.03326	3.7
83.04899	16.7
84.05231	0.8
85.02821	3.8
85.06460	4.2
89.01276	0.6
91.02905	1.1
93.03335	100.0
94.03667	4.9
97.02837	1.4
99.00763	6.2
99.04393	6.7
99.07998	0.6
101.02334	0.8
105.04441	0.6
109.02837	2.0
109.06469	1.8
111.00751	2.2
111.04405	21.0
111.08043	50.4
112.04716	0.8
112.08379	2.1
113.02345	0.9
113.05990	3.8
115.00270	0.8
116.02432	0.7
118.02843	0.7
119.02410	2.3
127.03929	0.7
129.01810	1.7
129.09099	2.8
130.04019	1.0
131.02567	0.6
131.03535	1.9
131.06042	1.0
131.07034	17.5
132.05594	1.0
132.07397	0.7
137.02344	10.3
138.02689	0.8
143.03465	1.3
145.02835	3.2
145.05156	0.8
146.02446	0.7
146.03520	3.1
147.01997	0.7
155.03395	5.7
155.07053	0.8
156.03749	0.6
158.05984	0.6
173.02377	3.0
173.04506	18.3
173.05923	1.2
173.08124	19.2
173.11699	1.1
174.01749	0.9
174.03108	1.3
174.05379	0.6
174.08406	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91850	0.2
58.02860	0.2
59.01230	0.4
65.00186	0.2
65.99712	0.3
66.03356	0.9
68.01299	0.2
69.03330	0.3
69.84583	0.4
69.84998	0.7
71.01241	0.4
75.43112	0.2
80.02557	0.2
81.03334	0.5
81.04448	0.3
82.02858	0.4
82.03966	0.5
83.01263	0.5
83.04879	0.4
86.03172	0.2
90.03367	0.2
91.01759	0.9
92.04929	0.9
93.03337	1.0
94.02869	0.5
95.01266	1.3
95.04904	0.6
96.04429	0.2
97.02825	0.6
97.03933	1.3
105.02056	0.3
108.02051	8.6
108.04436	0.5
109.02836	0.4
111.00810	0.3
111.04384	0.4
120.04440	0.7
121.02859	1.1
121.05228	2.9
122.02364	0.5
122.03187	1.4
122.06030	0.6
123.00779	1.7
123.04410	5.8
123.08031	0.2
124.01528	0.7
124.03967	0.3
124.05027	0.8
125.02328	1.0
128.22412	0.2
135.04398	1.4
136.04021	0.9
136.05196	23.7
137.02333	0.5
137.05551	1.7
138.05489	0.6
139.00250	0.3
139.03900	0.9
139.04929	0.3
148.03847	0.4
151.00270	2.4
151.03497	0.3
152.01057	17.0
166.05002	100.0
167.01973	0.4
167.03401	7.5
167.05330	6.6
167.07005	0.8
167.10690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10291	0.2
58.02848	100.0
59.03181	1.2
63.93417	0.2
65.00198	0.2
68.99699	0.3
69.03333	0.7
70.02851	0.4
70.04202	1.3
77.28682	0.2
81.03377	0.3
82.02873	0.3
83.04888	0.3
96.03864	0.2
96.39657	0.2
97.02804	0.6
107.04910	0.4
123.04417	0.5
125.02333	4.5
125.05999	0.6
125.09603	0.5
139.00423	0.3
142.37804	0.3
151.00220	0.3
151.11217	0.5
153.01460	0.9
157.38231	0.2
168.03790	0.6
168.06627	0.4
168.13829	7.5
169.01337	1.9
169.05022	0.9
169.08588	0.5
169.10410	0.3
169.12256	0.5
169.14259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86932	0.3
59.01254	1.7
65.00208	0.4
65.01318	0.7
65.99725	0.4
69.03324	0.3
69.57301	1.3
69.57719	0.7
71.01255	2.4
72.99179	36.3
73.02827	0.6
73.99520	0.7
74.97119	0.4
75.00748	1.5
77.78541	0.3
82.03960	0.4
85.02807	0.8
89.02322	1.2
91.01786	0.7
91.05411	1.4
92.99747	0.6
93.03349	1.1
95.02399	0.4
97.03956	0.7
101.02309	0.5
101.03825	1.9
103.05418	0.6
108.02036	0.4
108.04435	0.3
109.02847	1.9
109.03926	0.3
110.90562	0.3
117.03358	1.1
119.04916	40.2
120.05247	2.7
121.02841	5.9
121.06458	0.6
122.03575	1.0
123.00771	0.4
123.01935	0.5
123.03026	0.3
123.04427	0.8
123.78668	0.3
124.05038	0.4
137.02339	2.2
137.03278	0.4
137.05992	0.5
138.05505	0.3
147.04420	100.0
148.04753	7.3
149.00931	0.8
150.03130	3.4
151.00298	1.1
164.25296	0.3
165.01888	1.9
165.05475	29.5
166.02614	0.7
166.05949	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	165.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25157	0.8
55.01746	2.1
57.03321	3.5
58.00467	3.1
59.01248	40.5
62.76010	0.7
64.63410	0.7
68.49597	0.9
69.03334	2.5
71.01250	47.4
71.48412	0.8
71.48814	0.8
72.01579	1.6
72.99181	11.2
73.02815	12.8
75.00745	100.0
76.01079	2.2
79.05829	0.7
79.95620	1.5
81.03339	2.3
83.01226	3.7
83.04904	3.5
85.02834	16.0
87.00748	51.5
87.04406	3.9
88.01083	2.1
89.02312	21.6
91.01758	1.3
91.03941	0.9
92.99708	0.9
93.02859	0.8
93.03329	4.7
97.45810	0.9
99.00761	6.2
101.02319	18.2
103.03911	4.3
105.01820	32.9
108.02077	0.9
108.04429	1.9
109.02855	1.9
111.00703	1.0
111.04410	2.3
115.03922	1.6
117.01837	2.1
119.03345	1.3
121.02843	12.4
123.04396	0.9
129.01817	8.9
137.02330	2.5
138.05492	2.2
147.02893	7.7
147.04031	0.8
147.04514	0.8
147.06526	3.0
150.03130	7.4
151.00256	1.0
165.01950	3.9
165.03967	48.8
165.05421	3.6
165.07607	12.6
165.08917	1.6
166.01662	1.6
166.04407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.91415	0.2
70.98368	0.2
70.98711	0.3
91.01733	0.2
91.05407	0.2
92.03751	0.2
93.03327	2.7
117.03367	0.4
119.04917	100.0
120.05247	6.3
135.00807	0.2
135.04422	0.2
163.00247	0.4
163.03917	7.2
164.04254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43693	0.2
64.55701	0.2
65.01306	0.3
71.08437	0.4
76.56376	0.2
79.34827	0.2
82.03975	0.5
91.01776	0.5
92.04881	0.3
93.03343	2.3
101.02313	0.4
106.03961	0.2
117.03397	0.3
119.04917	100.0
120.04436	0.3
120.05244	5.7
121.02856	0.3
121.05074	0.5
128.21681	0.2
135.04404	0.6
136.04997	0.4
137.03418	0.3
163.00308	1.0
163.02538	0.4
163.03926	8.5
163.06046	0.6
164.04413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14663	0.3
70.87753	0.7
72.00774	0.5
78.73186	0.3
91.01772	0.6
91.05391	0.3
93.03342	2.3
101.02323	0.4
119.04915	100.0
120.05244	6.4
121.05068	0.5
135.00784	0.4
135.04425	0.5
147.04434	1.4
163.00302	0.7
163.03922	7.0
163.06029	0.4
164.04327	0.9
164.07094	0.5
177.69475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	0.4
59.01253	2.4
65.01324	1.2
65.99733	0.7
66.03371	0.4
67.01762	1.0
67.02887	0.4
68.01290	0.5
69.17000	0.3
69.35292	2.4
69.35705	0.6
71.01249	3.7
72.99180	36.2
73.02829	0.8
73.99537	0.7
75.00747	1.7
77.03853	0.8
81.03340	0.6
81.04470	0.4
82.03997	1.0
83.04922	0.4
85.02841	1.5
87.00751	0.9
87.04394	0.3
89.02332	1.9
91.01788	0.7
91.05396	0.9
92.99710	0.4
93.03346	2.5
94.02819	0.5
95.01292	0.6
95.02384	0.8
97.02862	0.3
97.03967	0.9
101.02326	1.7
101.03826	1.6
103.03915	0.4
103.05436	0.5
105.01842	0.4
108.01973	0.5
108.04462	0.5
109.02850	1.9
109.03969	0.7
117.03349	0.9
119.04916	39.0
120.05251	2.4
121.02847	11.7
121.03579	0.2
121.06506	0.8
122.03548	1.6
122.06056	0.4
123.00778	3.0
123.01648	0.5
123.04411	1.1
123.05621	0.4
123.08043	0.4
124.05045	1.2
125.03435	0.4
135.04427	0.5
136.01524	0.4
136.05222	0.4
137.02342	2.9
137.05943	0.7
138.02913	0.5
138.05504	0.4
139.05034	0.5
147.04419	100.0
148.04762	7.6
149.00830	0.4
150.03143	5.3
151.00269	4.9
165.01833	2.9
165.04146	1.2
165.05478	30.1
165.07669	1.5
165.09145	0.9
166.01271	0.4
166.02541	1.2
166.06033	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	157.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29943	0.4
55.01751	0.6
57.03315	0.7
58.00465	1.7
58.02835	0.9
59.01256	2.5
67.01746	2.2
68.99681	3.6
69.03324	100.0
69.70345	0.4
70.03664	3.2
70.86906	0.4
71.01253	15.8
71.18945	0.6
72.01595	0.4
73.02821	0.4
81.03329	69.2
81.22734	0.5
82.03671	2.9
83.04893	1.3
84.02064	0.6
85.02815	4.6
95.01239	1.1
95.04897	1.1
96.99193	1.0
97.02830	1.3
99.00746	1.3
113.01527	0.7
113.02324	14.8
113.05940	2.3
114.02631	1.0
114.09108	1.1
115.00245	2.0
116.07051	10.2
124.98753	0.9
125.01460	0.9
125.02336	13.8
126.02641	0.8
127.00287	2.4
129.01758	0.5
156.89307	0.7
157.01329	12.7
157.04944	2.0
157.08574	1.1
157.12270	0.8
158.06029	0.6
158.08064	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	157.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
57.03320	1.0
58.00460	1.8
58.02843	0.9
59.01247	3.1
67.01763	1.8
68.99696	5.9
69.03326	100.0
70.03680	3.1
70.55984	1.2
70.56375	1.3
71.01257	17.2
81.03329	82.7
82.03672	4.1
83.04922	1.7
85.02812	4.6
85.06439	0.7
95.04877	1.3
95.74883	0.7
96.99188	2.0
99.00764	1.2
106.53015	0.6
113.02337	14.2
113.05969	2.2
114.05508	0.8
114.09107	1.0
115.00254	1.7
116.07063	18.0
124.98726	1.0
125.01463	1.0
125.02342	15.1
127.00244	3.0
129.01836	1.0
157.01335	13.0
157.05013	2.2
157.08598	2.0
157.12274	1.3
158.08153	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	152.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.3
58.08368	0.2
59.01238	0.4
66.03368	1.9
67.02889	0.6
68.01283	0.6
69.42293	1.3
69.42714	0.5
70.23494	0.3
72.04422	0.8
72.99202	0.4
79.95618	0.3
81.03338	0.9
81.04459	0.6
82.00533	0.3
82.02861	0.5
83.02375	0.3
83.04881	0.2
95.02358	0.4
97.02877	0.2
106.04025	0.3
108.02064	1.7
108.04434	0.7
109.02837	16.4
109.04007	0.5
109.06461	0.3
109.99187	0.5
109.99974	2.8
110.02361	0.4
110.03492	0.5
110.04199	0.2
111.01923	0.6
115.37643	0.3
121.02863	1.0
122.03627	38.9
123.00726	0.5
123.03881	2.0
124.04787	0.3
125.02346	1.6
125.03384	0.5
125.05963	0.3
134.03482	0.5
134.35089	0.2
135.04430	0.5
137.01894	1.0
137.99481	3.5
138.03127	0.4
141.61115	0.2
152.03435	100.0
153.01868	5.3
153.03784	5.6
153.05467	0.9
153.12779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03365	0.6
69.03304	0.2
70.06597	0.4
70.06973	0.3
71.03349	0.2
72.04432	0.5
81.03342	0.5
81.04475	0.2
82.02879	0.2
83.01284	0.3
97.02827	0.3
106.79327	0.2
108.02050	1.2
108.04465	0.2
109.02844	14.8
109.06435	0.2
109.99221	0.2
109.99980	1.1
121.02841	1.0
122.03633	41.2
123.03901	2.6
124.04802	0.2
125.02322	0.5
136.03957	0.2
137.01938	0.6
137.99521	1.5
152.03445	100.0
153.01906	3.4
153.03799	6.7
153.05489	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
59.01517	0.3
65.00208	0.4
65.03828	0.3
65.99699	0.5
66.03355	2.5
67.01777	0.4
67.02878	0.8
68.01262	0.5
68.99693	0.5
69.03316	0.4
71.01261	0.7
71.50755	0.3
72.01611	0.3
72.04408	2.2
72.99168	0.3
78.03362	1.2
80.96392	0.4
81.03342	1.8
81.04453	0.7
82.02866	1.2
82.03957	0.5
83.01277	0.5
83.02394	0.3
95.01254	0.5
95.02400	0.3
95.89123	0.3
96.95901	0.3
97.02830	0.7
104.01315	0.4
105.02083	0.3
106.02845	0.4
106.03976	0.5
107.01250	0.3
107.03654	4.7
107.04808	0.4
108.02062	4.4
108.04472	0.7
109.02836	38.6
109.06467	1.1
109.99162	0.6
109.99967	5.1
110.02371	0.6
110.03483	0.5
111.01911	0.7
111.04412	0.4
114.37644	0.2
121.02853	1.2
122.02358	1.0
122.03624	30.1
123.00772	0.6
123.03941	1.7
123.04412	1.5
124.01601	0.3
124.04799	0.4
124.98661	0.3
125.02326	2.8
125.03342	0.5
125.05983	0.5
134.03487	0.3
135.04414	0.7
136.01515	0.6
137.01897	2.3
137.98502	0.5
137.99492	7.2
138.03145	0.4
150.01938	0.3
151.00345	0.3
152.03430	100.0
153.01855	11.4
153.03773	6.2
153.05441	1.7
153.09138	0.4
153.12766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	11.7
54.63639	3.2
55.01760	3.8
59.01257	5.4
63.31498	3.0
68.99704	4.4
69.03321	4.8
69.37951	28.9
71.01247	45.4
72.99185	3.5
80.99694	6.8
82.02870	4.7
83.01261	4.3
85.02840	7.4
87.00755	13.4
96.99203	16.3
98.19866	7.2
99.00759	6.1
99.04396	100.0
100.04719	6.0
101.04311	3.7
102.05508	4.9
105.51078	3.1
112.98667	28.2
115.00237	7.8
124.98682	63.4
125.02279	5.7
135.10692	3.1
140.98228	10.5
142.99767	97.7
143.03398	9.8
144.04427	21.1
144.06488	3.2
156.12822	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	143.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	7.7
57.03320	11.7
57.14981	4.4
59.01262	13.1
65.01323	15.9
65.99694	4.7
69.03339	31.2
70.99495	7.5
71.01258	48.9
71.04890	9.4
71.35822	6.2
72.76032	4.4
72.99186	4.9
73.02822	12.0
81.03329	17.7
83.01262	9.8
83.04897	5.7
85.02821	51.0
87.00747	12.1
87.04393	19.2
89.01338	20.7
90.00877	6.2
95.04903	54.4
97.02831	20.7
97.06476	100.0
98.06831	5.0
99.04403	13.1
99.08035	31.7
101.02377	6.4
113.02365	7.1
115.03889	6.2
116.02431	28.8
125.02366	36.5
125.06010	29.3
126.02658	5.8
143.03481	82.8
143.04637	9.4
143.07059	67.3
143.10646	16.4
144.01953	20.6
144.03224	8.8
144.04399	62.5
144.05557	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01302	0.8
69.03321	0.9
70.21729	0.5
77.44782	0.5
83.04907	7.8
93.87994	0.6
97.06480	1.8
99.08034	100.0
100.08352	5.7
103.95568	0.6
118.03990	1.4
127.07565	2.7
136.10706	0.6
143.07030	1.3
145.05045	0.9
145.08604	36.4
146.02376	1.1
146.03465	0.7
146.08926	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63368	19.0
59.01246	52.5
69.85781	100.0
71.01254	95.8
71.04934	26.8
75.00751	48.6
78.10458	20.1
98.20622	24.9
115.13142	20.3
147.01923	26.6
147.04407	54.4
147.06552	30.9
148.04991	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53352	5.4
54.13823	5.9
57.26036	6.3
60.48764	6.5
65.01317	20.2
65.99722	9.9
69.22734	64.0
75.00726	8.4
105.04504	10.2
106.03968	22.1
118.03973	8.2
119.04905	24.5
120.01908	15.0
121.03977	8.3
147.03088	12.6
147.04402	100.0
147.06580	10.6
148.05025	40.6
151.50116	6.3
157.41370	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53352	5.4
54.13823	5.9
57.26036	6.3
60.48764	6.5
65.01317	20.2
65.99722	9.9
69.22734	64.0
75.00726	8.4
105.04504	10.2
106.03968	22.1
118.03973	8.2
119.04905	24.5
120.01908	15.0
121.03977	8.3
147.03088	12.6
147.04402	100.0
147.06580	10.6
148.05025	40.6
151.50116	6.3
157.41370	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58018	0.4
57.03321	0.5
59.01247	5.3
69.03325	4.0
69.64006	3.0
69.64348	0.5
70.03674	0.4
71.01250	40.2
72.01578	1.2
73.02818	24.5
74.03177	0.6
75.00736	4.9
85.02812	0.9
87.00748	10.7
89.02312	100.0
90.02645	3.4
98.19794	0.6
101.02300	1.2
103.03880	3.4
126.11651	0.4
131.03401	7.3
132.03760	0.5
149.04454	22.7
150.04826	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	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49652	0.7
53.38857	0.8
59.01257	5.2
67.23625	0.8
69.03333	2.6
69.43318	2.0
69.43729	6.0
71.00857	1.7
71.01254	34.5
72.01584	1.1
73.02820	21.4
74.86381	0.8
79.42148	0.7
83.57866	1.0
87.00746	11.2
89.02319	100.0
90.02654	3.0
98.20536	1.3
101.02289	0.9
103.03878	4.6
115.93116	0.8
124.71040	1.1
131.03406	7.8
149.04465	30.7
150.04919	1.2
165.80611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.4
59.01254	0.8
65.99732	0.8
66.00852	0.2
66.03361	1.8
66.04150	0.3
67.01774	0.2
67.02885	0.9
68.01297	0.6
68.99693	0.4
69.03332	0.2
71.01251	0.3
71.50316	0.3
72.04419	1.5
72.99174	0.4
78.09784	0.2
80.96378	0.4
81.03324	1.4
81.04467	1.1
82.02860	1.2
82.03973	0.4
83.01285	0.3
83.02388	0.5
93.03336	0.2
95.01321	0.3
95.02396	0.5
96.99198	0.2
97.02773	0.2
97.03988	0.2
99.65417	0.3
106.04017	0.6
107.03665	0.3
108.02068	2.5
108.04434	0.3
109.02838	20.8
109.03994	0.9
109.06475	0.5
109.99099	0.6
109.99966	3.6
110.02376	0.5
110.03468	1.0
111.01882	0.8
117.89025	0.2
121.02824	1.1
122.03626	40.3
123.00765	0.5
123.03839	2.4
123.05328	0.3
124.01519	0.4
124.04856	0.2
125.02343	1.8
125.03447	0.9
134.03506	0.8
135.04417	0.4
136.01587	0.3
137.01889	1.7
137.99486	4.5
138.03116	0.6
151.00290	0.3
152.03430	100.0
153.01862	6.4
153.03798	6.4
153.05441	1.0
153.09062	0.2
153.12778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01751	0.4
60.27976	0.4
61.45085	0.4
67.01749	1.3
68.01279	1.0
71.07471	0.9
75.17542	0.4
82.64134	0.4
83.01293	0.4
93.03351	1.5
94.03667	5.3
95.01265	0.8
105.13917	0.5
108.02054	74.9
109.02375	5.0
111.00764	4.4
138.01868	100.0
139.00262	1.8
139.02219	6.7
139.03914	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
54.67966	0.3
55.01743	0.3
60.61076	0.2
69.38012	0.5
69.38433	1.3
92.02546	0.3
93.03321	0.3
94.03680	0.5
94.89584	0.2
95.01258	0.3
98.88799	0.2
108.02052	74.0
109.02387	4.3
110.03561	0.3
111.00752	1.0
123.00851	0.2
138.01866	100.0
139.00264	0.6
139.02220	6.2
139.03931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	11.6
57.03317	7.5
59.01248	79.2
67.01750	10.7
68.99691	24.8
69.03320	24.7
69.20815	6.5
69.21221	34.3
71.01253	14.6
71.14751	3.6
83.01279	5.4
85.02818	24.7
95.01265	25.8
97.02837	11.0
97.03981	4.6
98.20683	6.2
99.00747	9.3
99.05526	6.9
100.03934	12.9
111.00750	17.0
113.02325	11.1
115.02885	5.8
123.00751	12.0
123.08022	6.2
125.99448	3.6
132.41585	4.1
141.01822	46.9
141.04405	3.8
141.05443	5.1
141.09122	100.0
141.73677	4.5
142.02200	5.1
142.03981	11.5
142.04993	5.0
142.09433	10.2
156.36494	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53993	5.3
53.00188	28.6
59.01247	20.8
59.81681	7.1
68.99677	9.4
70.89877	13.0
70.90211	13.1
71.01247	75.6
72.99176	7.1
81.03313	7.7
83.01267	7.5
85.02834	12.0
87.00747	28.0
96.00759	6.7
96.99200	44.3
99.04409	51.9
112.98676	35.5
115.00264	17.5
118.72810	6.2
118.73775	7.4
120.54727	7.1
124.98698	100.0
125.02372	9.4
125.99010	6.8
140.98199	14.7
141.12720	7.1
142.99760	95.4
143.03407	13.4
162.79037	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	134.0365
Annotation	imidazo[1,2-c]pyrimidin-5(1h)-one
Peak:m/z	Relative Intensity
58.06295	1.6
59.01225	5.3
64.00547	1.9
64.01793	3.5
65.01321	27.7
65.99717	18.8
69.43021	4.8
69.43437	8.6
71.01253	10.4
73.02827	7.8
75.00747	3.6
79.02891	2.7
81.03313	3.3
85.02824	24.4
87.00732	1.9
90.00828	2.5
91.02879	8.0
92.01292	4.0
92.02422	15.3
93.00813	3.1
93.03315	3.4
101.02339	3.9
103.03896	1.9
106.04013	15.2
107.02412	20.7
107.03505	23.0
107.04943	10.9
108.02027	4.3
130.47395	1.7
130.60727	1.7
134.03534	97.3
134.04604	67.1
135.01924	3.7
135.04414	100.0
135.06552	3.2
145.55283	1.5
146.33591	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	134.0463
Annotation	Adenine
Peak:m/z	Relative Intensity
57.03315	0.6
58.58654	0.4
59.01254	4.0
63.52575	0.4
65.01317	1.3
68.02398	0.7
69.03338	0.6
70.77528	0.9
71.01254	10.0
71.04884	0.7
72.01592	0.7
72.99168	0.7
73.02812	6.6
75.00758	2.2
80.02412	0.5
81.03331	2.9
81.98336	0.4
84.02025	0.5
85.02819	25.4
87.00714	0.8
88.04693	0.6
89.02315	2.4
92.02413	9.2
93.02778	0.4
93.03342	1.3
99.04401	0.7
101.02321	2.8
103.03886	2.0
106.04031	0.5
107.03514	36.0
107.04868	2.6
108.03156	0.6
108.03849	1.5
115.03928	0.5
117.05463	1.1
134.04610	100.0
135.04301	16.4
135.06473	1.9
138.03204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30091	0.9
56.32800	0.9
57.03313	2.9
59.01252	23.2
69.03329	2.3
69.22949	7.2
69.23357	1.7
71.01253	47.9
71.04881	3.3
72.01573	1.9
72.99175	5.0
73.02817	30.3
73.54379	0.8
74.03143	1.6
75.00744	25.9
81.03322	11.7
83.01263	1.3
84.02052	2.4
85.02820	100.0
86.03164	5.5
87.00749	6.4
89.02317	10.5
99.04400	2.3
101.02319	10.3
103.03875	6.7
106.04021	1.4
107.04897	1.7
108.02040	2.3
110.33142	1.0
115.00271	1.3
115.03803	0.9
116.54917	0.8
117.00699	2.7
117.05433	3.0
134.03610	5.1
134.89334	1.8
134.95346	1.0
135.01898	1.4
135.02905	6.8
135.04401	22.9
135.06508	6.4
136.03900	2.1
136.04793	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.1
59.00996	1.5
59.01252	15.7
69.03317	2.2
70.35493	4.4
70.41299	0.9
71.01252	42.4
71.04897	2.6
72.99171	3.7
73.02818	26.0
73.10800	1.0
75.00752	11.4
81.03323	10.9
84.02026	2.9
85.02822	100.0
86.03157	3.8
87.00742	3.2
87.04365	1.6
89.02318	8.7
92.02424	6.2
92.04911	2.7
92.92084	1.2
93.02759	2.1
93.03331	5.8
94.02889	2.2
95.01251	1.4
95.31013	1.0
99.04406	1.9
101.02327	9.6
103.03880	7.0
106.04102	4.1
107.03520	1.9
107.04903	11.5
108.02057	8.8
108.03204	1.5
108.03848	5.3
115.03874	1.7
117.05443	2.7
130.87671	1.4
134.03635	12.6
135.02892	4.7
135.04308	67.1
135.06467	7.7
136.01538	4.5
136.03886	3.1
136.04782	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	8.3
57.03332	22.5
67.01756	47.5
68.99683	16.0
69.87005	24.2
71.01243	12.4
71.89620	4.1
72.99183	5.4
83.04869	6.0
85.02816	37.8
88.03913	31.0
88.56302	4.2
89.37539	4.0
98.19849	6.3
99.00758	5.3
129.01772	20.8
129.05461	100.0
130.03975	11.5
130.05849	4.7
130.08662	6.8
146.14604	4.1
146.81329	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03324	14.1
59.01249	6.2
65.01307	1.7
69.03319	4.3
69.89433	1.2
70.06033	3.4
70.06448	2.7
70.52337	1.4
71.01254	33.8
72.99183	4.7
73.02820	48.6
75.00737	3.5
77.30098	1.2
85.02824	65.9
85.06442	3.3
86.05994	1.8
87.00766	2.5
87.04387	18.8
88.03904	4.1
95.85136	1.1
103.03902	1.4
113.02321	4.9
130.03996	6.6
130.08635	100.0
131.03427	24.1
131.07030	1.6
131.08987	5.1
135.32350	1.2
140.34441	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	131.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	1.6
57.03313	5.3
59.01245	8.0
65.01328	8.2
66.39822	1.2
67.02875	4.2
69.03298	1.7
69.48373	10.1
71.01256	42.7
72.02016	1.4
73.02821	100.0
74.03150	2.6
83.53770	1.2
85.02357	2.0
85.02829	24.1
87.00730	2.4
87.04375	4.6
89.01336	8.1
90.68540	1.5
91.02876	5.9
102.73245	1.2
103.03912	3.5
104.02444	2.0
105.04446	2.0
109.39520	1.5
113.02255	1.9
127.00779	1.3
129.08806	1.3
129.80609	1.5
130.02678	2.2
131.03490	28.6
131.04335	2.2
132.03859	2.2
132.05544	5.9
134.99849	1.2
136.48610	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39787	0.5
55.01755	0.5
57.03317	3.8
58.02805	0.4
59.01239	1.5
65.01315	3.9
65.36288	0.4
66.01647	0.8
67.02884	2.0
69.03326	3.7
69.38297	3.9
69.71101	0.5
71.01251	6.7
72.99184	0.8
73.02819	12.3
76.51889	0.5
77.01321	0.7
81.04436	0.7
83.04903	1.6
84.82835	0.4
85.02826	13.8
85.06461	100.0
86.03161	0.6
86.06802	4.8
87.04392	3.0
89.01321	3.4
90.00908	0.5
91.02886	2.5
93.36140	0.4
98.19790	0.5
104.02422	0.8
105.04469	1.0
113.02345	0.9
113.05940	1.5
122.58572	0.5
126.05629	0.5
129.05475	1.8
130.02780	0.9
131.03502	15.9
131.04350	1.1
131.07036	37.6
132.01997	0.9
132.03815	1.3
132.05530	2.3
132.07339	3.4
146.00041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	1.0
53.47667	0.6
55.01744	0.7
57.03326	6.2
59.01245	2.8
65.01322	7.5
65.99712	1.5
66.01643	1.1
67.02883	3.9
69.03323	13.0
71.01254	11.9
72.99172	1.5
73.02821	17.0
75.00758	1.3
77.01320	1.6
81.04452	0.8
85.02823	25.3
85.06460	100.0
86.03174	1.0
86.06767	5.1
87.00734	1.2
87.04389	4.8
89.01322	6.8
90.00859	1.4
91.02888	4.1
93.33988	0.5
101.02272	0.5
104.02475	1.3
104.03260	0.6
105.04459	2.2
105.48269	0.5
113.02310	1.3
113.05950	2.5
127.05888	0.5
129.01874	0.6
129.05487	0.9
130.02747	1.2
131.03496	29.1
131.04340	2.2
131.07030	37.6
132.01933	1.1
132.03831	1.1
132.05559	5.3
132.07352	2.0
139.75383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.4
59.01242	2.1
71.01253	100.0
71.06180	1.4
72.01595	3.2
72.99178	21.9
87.00752	8.1
87.04379	4.4
89.02310	10.6
107.03499	1.6
115.00257	95.0
116.00612	3.5
133.01318	17.1
133.02855	1.0
133.04944	8.3
134.04591	6.5
141.04007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	2.6
59.01243	1.8
61.24651	0.4
64.01791	1.2
65.01318	5.2
65.99716	5.2
68.01282	1.4
71.01253	0.7
72.99172	0.6
73.02815	0.9
77.01321	1.4
79.02894	0.8
91.02882	3.7
91.05418	0.9
92.01295	3.6
92.02417	1.3
92.03257	0.5
92.04951	0.4
93.00810	1.9
93.03333	4.5
101.03831	0.5
101.92287	0.4
104.02473	0.5
117.03350	1.2
118.03988	1.4
118.92555	0.8
119.02450	9.0
119.04913	100.0
120.01958	5.0
120.04398	0.6
120.05563	20.4
138.97530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	1.2
65.01328	2.1
65.99707	1.5
69.39412	5.2
69.39811	1.5
91.02900	1.1
91.05422	1.4
91.54633	0.7
92.01292	1.6
92.02402	0.8
93.03339	4.9
119.02409	2.8
119.04916	100.0
119.95340	0.7
120.01924	2.1
120.05383	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	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54306	2.3
55.01751	8.2
58.02857	14.0
59.01229	3.5
59.09285	2.7
65.81635	2.7
66.03372	4.8
68.99705	3.1
71.01247	15.0
71.04883	2.8
71.50150	2.9
72.06456	2.5
81.03323	5.4
82.02869	5.3
83.01261	9.1
83.02380	3.2
83.04898	15.8
84.02048	2.5
84.04402	3.2
85.02823	18.7
85.03951	37.9
86.02360	10.0
93.10323	2.8
97.01137	2.7
99.00751	8.5
99.04389	2.7
100.03945	4.9
109.02862	5.2
110.02364	6.8
126.90322	26.8
127.00276	30.2
127.03907	22.2
127.04984	6.6
127.07543	100.0
128.03424	46.2
128.07895	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	18.8
57.03322	54.8
59.01236	12.5
61.47602	4.0
67.01759	100.0
68.99371	5.0
68.99686	53.0
70.35409	15.9
71.01249	33.4
72.99177	22.4
73.02801	18.2
83.01240	11.8
83.04886	5.7
85.02820	59.3
86.03156	4.7
87.00744	15.6
88.03924	21.2
96.99179	9.6
99.00744	9.5
101.02299	14.6
111.00758	8.2
113.99522	4.6
129.01834	51.8
129.05453	83.8
130.04021	36.9
130.04907	8.3
130.05836	6.1
130.08636	30.2
149.82779	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80938	0.3
55.01751	0.5
57.97889	0.3
59.01256	2.7
70.50623	1.0
71.01257	1.1
71.04888	0.6
73.02819	100.0
74.03157	3.4
89.91783	0.3
91.02907	0.4
99.00756	8.6
99.92439	1.7
100.01083	0.7
106.84600	0.3
107.40441	0.3
116.92751	3.6
117.01826	12.9
117.02653	0.7
117.05465	0.5
117.92714	0.4
118.02148	0.7
118.02897	0.8
118.03943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29615	0.7
56.40777	0.6
57.35639	0.7
58.43858	0.6
59.01251	62.5
60.01589	1.2
65.01325	1.0
71.01255	2.3
71.04899	3.3
71.40482	1.3
73.02819	100.0
74.03152	3.0
74.92914	0.6
87.00845	0.8
90.00871	1.5
91.02882	1.6
99.00764	8.9
99.92446	4.0
111.35680	0.7
116.92736	8.6
117.01842	14.5
117.05470	7.3
117.92742	1.0
118.02884	4.8
118.04041	1.6
124.24392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
81.48750	0.2
83.01257	0.3
91.01785	0.2
93.03310	0.9
107.01254	1.1
108.02039	0.2
109.02852	0.4
113.04920	0.1
117.03335	0.3
119.01247	0.2
125.02348	0.2
131.04912	0.2
132.02051	0.4
133.02888	0.3
135.00764	1.1
143.04919	0.7
151.00302	1.3
153.01817	0.5
154.04158	0.2
155.04947	0.2
157.06505	0.3
158.03656	0.2
159.04408	0.9
161.02307	0.5
163.00273	1.9
164.01074	0.3
165.01918	0.2
167.04877	0.3
169.01433	0.3
169.06483	0.5
171.04395	0.4
175.03912	0.2
178.99788	0.5
182.03654	0.3
183.04460	1.0
185.06026	1.0
187.03949	1.9
189.05490	0.8
190.99910	0.2
191.05521	0.5
195.04498	0.5
197.05975	0.6
199.03944	0.8
200.04572	0.2
201.05489	0.4
211.03940	2.0
212.04640	0.3
213.05495	1.2
214.02615	0.2
215.03462	0.2
227.03452	23.7
228.03809	1.2
229.05002	7.8
230.05263	0.4
239.03456	1.3
240.04292	0.5
241.04956	1.1
243.03056	0.3
252.71593	0.2
255.02965	43.6
256.03510	5.0
257.04514	4.1
258.04843	0.3
267.03006	0.5
271.02567	0.2
283.02475	0.7
283.96878	0.3
284.03259	48.3
285.04010	60.8
286.04391	4.0
299.02200	0.2
327.05252	0.8
357.05936	0.3
429.07852	0.3
450.68286	0.2
463.09018	0.2
579.13531	100.0
580.13861	12.5
580.27325	0.2
593.15106	19.7
594.15363	2.6
1084.42065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01253	12.5
85.02292	0.2
85.02820	3.6
87.00754	0.6
89.02319	3.3
93.03350	0.4
95.01257	1.3
97.02831	0.9
99.00742	0.5
99.04396	0.2
101.02319	30.7
102.02656	0.5
103.03858	0.3
107.41517	0.2
109.99914	0.2
111.00744	0.2
113.02326	12.2
114.02711	0.3
117.01820	0.2
117.03366	0.4
118.10151	0.1
119.03387	3.0
125.02332	1.8
127.03893	0.1
131.03395	3.9
132.02112	0.2
133.02866	0.4
135.04391	0.2
143.03398	4.9
147.02872	0.3
149.04454	7.0
151.00285	0.4
155.03424	1.9
159.04428	0.3
161.02560	0.7
161.04460	11.8
162.04787	0.2
165.01840	1.4
167.05008	0.2
171.04292	0.1
173.04445	0.2
179.03510	0.3
182.03604	0.1
183.04449	1.5
187.03873	0.2
191.05527	0.5
193.01300	0.2
203.05560	3.1
211.03938	1.9
221.06610	5.4
226.02707	0.4
227.03452	3.1
228.03940	0.4
231.10213	0.2
239.03343	0.3
240.04239	0.3
241.04958	0.2
243.06517	0.2
245.00668	0.1
254.02187	0.2
255.02960	36.6
256.03445	2.4
263.07791	0.1
263.17419	0.1
269.04376	0.7
270.05222	0.1
271.06003	1.4
281.08731	0.3
282.01755	0.2
283.02460	84.5
284.02960	6.9
297.04074	0.4
298.04810	72.3
299.05453	12.4
300.05814	0.5
327.04678	0.2
340.05728	0.2
341.06631	0.3
353.06519	0.4
426.48239	0.1
443.09836	0.8
461.10571	0.2
478.50308	0.2
503.31967	0.4
607.16632	100.0
608.16986	9.3
709.31122	0.2
719.25934	0.7
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
65.01304	1.4
65.99708	1.3
69.39265	1.8
69.39667	5.2
76.92882	0.8
91.05392	1.2
93.03323	3.1
98.19901	1.4
99.67598	0.9
101.03828	4.3
117.03345	2.3
119.02410	2.6
119.04910	100.0
120.01944	1.3
120.05419	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	1169.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
82.57109	0.2
96.96841	3.3
105.79369	0.2
135.19368	0.2
150.97908	0.9
152.99493	63.3
153.99847	0.8
159.13390	0.2
171.00562	16.7
172.00974	0.2
227.03230	3.7
245.04291	81.4
246.04716	1.3
253.21712	39.9
254.22130	1.5
345.17252	0.2
478.29462	0.3
481.25720	100.0
482.26099	6.8
482.32452	0.2
614.19830	0.7
841.22620	1.1
941.45526	0.4
1169.49561	17.3
1170.49597	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.1
64.11729	0.4
70.24637	0.5
70.24997	1.7
71.01250	0.6
71.04947	0.4
73.02816	100.0
74.03152	3.2
99.00757	8.4
99.92477	0.5
104.78979	0.4
116.92722	2.0
117.01818	14.2
117.05463	0.5
118.02175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95771	55.5
96.96838	4.5
132.71671	0.2
150.97906	0.9
152.99486	66.7
153.99808	0.7
171.00551	18.6
172.00844	0.2
227.03220	3.5
245.04276	83.6
246.04552	1.5
253.21696	40.0
254.22005	1.8
255.23286	0.7
256.23648	0.2
338.04663	0.2
353.97113	0.1
480.30981	0.3
481.25693	100.0
482.26053	7.0
515.21210	0.2
709.38495	0.2
795.22681	1.3
796.22931	0.3
895.45239	0.8
896.45734	0.2
1049.45288	0.3
1123.49011	21.9
1124.49133	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.7
69.03316	1.4
71.01251	100.0
71.04892	3.0
71.48472	1.1
72.01582	2.4
72.99162	1.3
74.02349	1.2
81.29705	0.8
84.53496	0.8
85.02819	2.2
87.00752	2.8
89.01328	1.1
97.02808	1.4
110.20985	0.8
115.00262	10.0
115.03893	43.6
116.01679	0.9
116.02440	1.0
116.04225	2.2
116.07062	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	1157.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01269	0.3
83.11264	0.2
83.45892	0.1
84.05466	0.1
89.02283	0.2
93.03338	0.3
98.20531	0.2
101.02347	0.2
106.03273	0.2
107.01240	1.1
109.99985	0.7
120.75961	0.1
125.02310	0.4
132.02109	0.5
135.00754	0.3
137.99475	0.5
151.00269	2.2
152.01060	0.2
152.58882	0.2
153.01843	9.4
154.02245	0.2
163.00316	0.8
164.01070	0.3
168.04202	6.8
169.01276	0.5
169.04555	0.2
171.04404	0.3
178.99823	1.0
182.03671	0.2
183.04466	0.9
183.06544	4.2
184.06985	0.1
185.02380	0.3
185.05984	0.2
187.03897	0.3
195.04440	0.2
196.05275	0.2
199.03917	0.5
200.04625	0.3
211.03914	1.5
213.01860	0.2
213.05472	0.5
227.03455	27.8
228.03850	1.3
229.04965	1.5
239.03468	0.6
240.04204	0.2
241.05035	0.3
255.02972	56.0
256.03528	5.1
257.04498	1.4
281.04419	0.3
283.02496	1.3
284.03262	76.8
285.03940	13.4
286.04388	0.6
299.05634	0.2
309.03979	0.5
326.04514	0.3
327.05005	0.9
349.46838	0.2
357.05649	0.2
387.13220	0.2
393.06046	0.2
561.12378	0.5
725.19330	100.0
726.19666	9.6
1029.99365	0.2
1101.88513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	10.1
67.01763	24.3
68.01276	4.9
68.99687	5.5
71.01249	4.6
71.02946	5.2
72.93401	2.0
78.95777	88.7
81.03354	3.2
83.01251	30.0
83.04884	6.3
93.03339	3.4
105.14247	1.9
110.89780	4.2
111.00764	100.0
111.01913	7.2
111.04431	7.5
112.00299	4.3
112.01012	3.0
118.98900	1.8
128.77008	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	1085.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	57.4
79.95583	0.1
80.96382	0.2
96.96839	6.4
138.33594	0.1
150.97919	2.1
152.99487	100.0
153.99825	1.1
161.02353	0.1
166.97525	0.1
171.00563	3.7
191.05630	0.1
204.80147	0.1
229.31082	0.1
277.21716	0.7
431.22003	43.5
432.22305	3.0
1022.55469	0.5
1085.49451	0.3
1086.49719	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	1095.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.4
85.02817	0.3
93.03331	0.4
101.02333	0.4
107.01266	1.2
132.02060	0.5
133.02826	0.3
133.87749	0.2
135.00793	0.6
140.10352	0.2
151.00285	2.7
152.01044	0.5
161.02400	0.5
161.04462	0.6
161.89767	0.2
163.00267	0.6
164.01051	0.5
166.48436	0.3
169.01335	0.6
178.99745	1.5
183.04388	0.6
191.05548	0.4
199.03926	0.5
211.03946	1.2
213.05394	0.3
227.03448	25.9
228.03848	1.6
229.05066	1.1
239.03325	0.4
255.02965	54.0
256.03537	5.7
257.04456	1.2
269.10449	1.3
271.02289	0.4
271.27255	0.2
283.02448	1.5
284.03253	91.6
285.03909	15.6
285.06638	0.2
286.04291	0.6
299.06006	0.3
300.02792	0.4
309.03891	0.5
311.11511	0.3
327.05118	0.9
339.04865	0.3
393.06216	0.4
462.87509	0.3
575.14154	1.1
593.15857	0.3
609.14050	0.3
739.20898	100.0
740.21216	13.0
844.11322	0.3
857.76520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
76.95186	0.3
85.02816	0.9
85.72585	0.2
87.00733	0.2
93.03334	1.5
95.04899	0.3
98.20607	0.3
105.03362	0.4
107.01317	0.3
109.02846	1.0
111.04414	0.5
113.02354	0.3
115.62453	0.2
117.03310	0.2
121.02854	1.6
127.03892	0.3
133.02866	3.4
134.03621	2.7
135.04427	1.8
137.02324	0.7
139.03833	0.3
151.00285	0.5
155.03398	0.4
159.04425	0.2
161.02380	1.9
162.03069	0.2
165.01857	5.4
171.04405	0.3
173.04553	1.4
177.01816	1.7
178.02643	1.5
179.03407	0.5
187.03883	0.4
187.07631	0.2
188.31769	0.3
191.03755	0.4
191.05524	6.9
192.05704	0.3
193.01337	1.0
199.03944	1.5
201.01898	0.3
203.03384	0.3
215.03500	0.7
226.02625	0.7
227.03441	2.2
228.04184	0.3
229.01335	0.3
231.10161	1.6
242.02209	0.6
243.02933	2.6
254.02167	0.7
255.02937	1.0
257.04724	0.3
257.08130	1.0
269.04492	1.3
270.01514	0.7
271.02466	38.0
272.02768	2.0
275.09244	3.8
276.09521	0.3
282.01837	0.3
285.04059	1.7
286.04523	0.5
287.05481	0.4
299.01950	65.8
300.02478	5.4
313.03448	0.4
314.04300	67.6
315.05008	15.8
316.05310	0.9
336.60318	0.2
347.55121	0.2
357.06122	0.5
431.13297	0.6
449.14444	3.7
450.14636	0.6
553.42981	0.2
623.16132	100.0
624.16504	10.5
625.16113	0.3
719.25500	0.8
1073.34851	0.3
1107.75281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.377
Annotation	Unknow
Peak:m/z	Relative Intensity
86.10805	0.2
93.03340	0.2
97.02799	0.3
109.02856	0.6
113.02357	0.2
121.02857	1.0
133.02875	0.4
135.04391	0.3
137.02374	0.2
140.17294	0.2
149.02333	0.3
149.04453	0.2
151.00275	0.4
161.02332	0.5
163.00266	0.3
165.01845	4.4
173.04436	0.2
175.03949	0.4
178.99840	0.4
179.03386	0.3
183.02846	0.2
191.05505	0.6
193.01421	1.0
199.03920	1.2
200.04526	0.2
201.01851	0.3
203.03404	0.3
205.56325	0.2
215.03453	0.6
227.03471	1.4
229.01358	0.2
242.02155	0.5
243.02936	3.0
254.02249	0.7
255.02873	0.9
268.03821	0.2
269.04529	1.2
270.01669	0.5
271.02472	33.7
272.02887	2.3
285.04022	1.6
286.04596	0.4
287.05670	0.3
299.01956	62.4
300.02386	5.8
301.02695	0.2
313.03561	0.5
314.04309	73.5
315.04965	13.8
316.05414	1.0
326.22379	0.2
357.06265	0.5
436.85800	0.2
503.11548	0.3
530.39069	0.2
531.56903	0.2
623.16150	100.0
624.16473	13.4
625.16974	0.5
640.91571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
81.86810	0.2
83.01258	0.5
92.86201	0.3
93.03336	0.4
107.01266	1.7
108.02032	0.9
109.02840	0.8
121.02866	1.4
133.02823	0.6
135.00677	0.3
135.04253	0.3
143.57820	0.2
148.01505	0.5
149.02357	0.4
151.00269	7.7
151.74107	0.3
161.02357	2.0
163.00261	2.1
163.32930	0.3
165.01860	0.3
169.01303	0.5
178.99786	3.9
183.04417	0.4
191.05569	0.6
199.03946	0.6
201.05600	0.4
211.03928	0.8
215.03355	0.3
226.02669	1.0
227.03477	3.1
229.04921	0.4
242.01973	0.3
243.02957	5.9
244.03474	0.6
245.04547	0.8
254.02223	1.2
255.02966	20.5
256.03152	1.4
271.02475	36.3
272.02914	3.1
273.04010	0.9
283.02396	1.2
284.03217	4.9
285.03778	1.5
299.02103	1.9
300.02737	71.8
301.03476	34.8
302.03915	1.6
343.04208	0.4
348.04044	0.3
462.07993	0.4
463.08817	100.0
464.09122	8.7
477.07892	0.4
477.13635	1.5
579.13440	0.8
593.15265	4.0
594.15698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	0.8
81.03348	1.9
83.04893	2.1
85.02824	2.9
85.31816	0.5
87.00742	5.9
87.17809	0.4
89.03843	3.4
93.03333	47.0
94.03670	1.1
95.04919	0.8
97.06475	1.4
98.19685	0.8
99.00736	0.8
99.04420	1.0
101.02292	0.7
105.03361	2.6
106.04101	0.7
107.04900	0.6
109.02858	1.1
111.00771	0.9
111.04397	7.8
112.23901	0.4
113.02327	0.7
117.03347	14.1
121.02838	2.0
122.03607	0.5
123.04438	0.5
124.01536	1.0
125.02353	0.5
127.03917	1.1
129.01871	0.7
132.02060	1.2
133.02855	24.6
134.03633	50.9
135.04422	28.7
135.05940	0.5
136.04749	1.0
137.02345	13.2
139.03909	3.1
145.02866	2.5
149.02367	2.4
149.04527	0.4
150.03134	4.1
151.00291	0.5
151.03931	2.5
155.03406	6.9
155.04649	0.2
159.04367	0.5
160.01590	2.9
161.02353	8.0
162.03134	27.1
163.03777	1.5
165.01865	1.4
165.05464	2.1
173.04469	55.0
174.04849	1.4
177.01849	13.5
178.02634	19.5
179.03395	3.3
180.04124	0.5
181.04926	0.9
183.04491	0.7
187.07599	1.4
191.05540	23.3
192.05936	0.5
195.06429	0.6
203.10664	0.5
211.03880	0.9
213.09142	1.1
227.03423	1.7
229.75470	0.5
231.10225	7.7
255.02971	15.0
256.03406	0.8
257.08167	2.2
269.04630	0.6
271.06003	0.5
275.09247	92.5
276.09576	5.4
283.02469	41.8
284.02914	3.5
298.04816	33.5
299.02057	0.7
299.05328	4.9
307.08258	0.7
308.09045	2.1
348.95410	0.4
351.07245	3.1
352.07993	6.1
361.97305	0.4
443.09808	0.5
449.14520	100.0
450.14914	7.5
565.21063	0.5
607.16675	49.3
608.17114	5.1
657.70654	0.4
761.28577	0.4
809.30219	0.5
970.94342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02820	0.8
85.02839	0.4
89.02364	0.3
93.03352	0.9
97.06470	4.5
101.02335	1.1
105.03326	0.7
106.04133	0.3
113.02289	0.3
117.03410	0.2
121.02859	0.3
131.03409	0.8
133.02859	3.8
134.03638	86.0
135.04483	8.0
136.04739	0.3
137.02347	1.7
139.03926	0.7
139.07938	0.2
149.04443	0.2
150.03148	0.4
151.00255	0.3
159.04510	0.2
161.04475	0.3
163.00134	0.2
165.01852	1.6
173.04468	0.4
177.01860	6.1
178.02641	19.1
179.03371	1.9
182.03580	0.2
183.04451	0.7
187.07686	0.3
191.05527	0.9
193.01312	0.5
211.04021	1.2
227.03508	1.8
228.04277	0.3
231.10217	3.2
232.10545	0.3
243.06624	0.4
255.02985	24.0
256.03430	1.6
269.04562	0.8
271.06192	0.6
275.09280	8.1
276.09595	0.5
283.02484	64.9
284.02994	4.4
297.04041	0.4
298.04840	55.2
299.05463	9.6
300.05859	0.4
307.11871	84.1
308.12228	5.1
341.06683	0.3
383.41315	0.3
400.52719	0.2
439.16107	5.5
440.16302	0.4
443.09756	0.3
457.16812	0.2
476.17764	0.2
594.93036	0.3
607.16687	100.0
608.17029	9.8
608.27100	0.3
636.56543	0.3
936.21600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.5
83.31577	0.2
87.78013	0.2
97.99312	0.2
100.16666	0.2
107.01271	0.9
108.02067	0.7
109.02890	0.2
112.55864	0.2
119.04918	0.4
121.02839	0.4
122.84531	0.2
135.00790	0.4
145.53827	0.2
148.01527	0.8
149.04424	0.4
151.00270	3.5
153.01837	0.2
160.41887	0.2
161.33621	0.2
163.00307	0.4
163.03931	0.4
164.01053	0.5
169.01321	0.4
178.99786	2.5
199.03928	0.5
201.01918	0.3
203.03468	0.3
211.03940	0.5
215.03397	0.3
216.04167	0.3
226.02654	1.1
227.03407	1.8
243.02950	6.9
244.03470	0.6
254.02209	1.4
255.02960	18.8
256.03397	1.1
265.61804	0.2
271.02463	40.5
272.02939	3.9
297.04282	0.2
299.02017	2.0
300.02728	84.7
301.03287	9.6
302.03693	0.2
314.15292	0.2
325.03192	0.2
343.04520	0.3
355.04120	0.2
432.04849	0.2
489.10101	0.3
591.13550	0.2
755.20337	100.0
756.20679	14.7
1000.42706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	10.5
71.04881	0.5
72.99169	1.3
73.02811	1.9
78.95778	0.7
83.01268	1.5
83.04877	0.9
85.02823	7.4
86.28156	0.5
87.00742	2.6
88.76780	0.4
89.02316	8.5
93.03292	0.5
95.01227	1.2
95.04900	1.2
96.95889	2.1
97.02822	4.3
97.06459	2.0
98.20574	1.1
99.00742	0.6
101.02326	7.1
105.14747	0.5
109.06474	0.7
111.08050	3.0
113.02316	4.7
116.92738	0.7
119.03402	2.7
119.08495	0.5
125.02345	2.6
125.09594	1.7
127.11192	1.1
133.02859	0.5
135.04414	1.3
137.02370	0.5
137.09624	2.3
141.01855	0.7
143.03378	1.3
151.11208	0.5
154.06204	0.5
155.10695	1.2
161.02350	2.1
161.04478	2.0
163.11208	1.0
165.12752	2.4
167.14388	0.7
169.12263	1.4
171.10184	18.1
172.10518	0.6
179.03438	1.4
179.05525	3.1
181.12347	0.8
183.13860	3.1
185.11736	0.9
191.05583	1.2
193.12189	1.2
197.11774	11.5
198.12030	0.7
199.13361	0.9
201.11206	1.1
209.11768	2.5
211.13342	15.1
212.13739	1.2
221.06587	1.5
221.11771	1.9
223.13474	0.6
227.12764	1.2
229.14398	10.1
230.14709	0.5
235.08206	2.9
239.12796	1.6
247.20625	1.7
263.20276	0.7
273.18677	1.4
287.07712	0.5
291.19690	12.5
292.19971	0.9
293.21097	0.7
293.65576	0.5
305.08826	1.1
309.20709	42.9
310.20981	3.2
325.20044	0.6
327.21759	100.0
328.22104	7.5
343.21353	1.5
379.12311	0.6
397.13477	22.4
398.13617	1.1
415.14529	18.5
416.15042	0.9
565.68268	0.5
613.57306	0.5
619.42035	3.7
689.33636	0.8
707.34937	9.8
708.35339	1.3
725.35864	5.3
1017.57202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	6.3
78.95781	8.2
85.02821	2.9
87.00775	1.9
87.63383	1.4
89.02313	5.7
96.47372	1.4
96.95897	1.5
101.02316	5.8
113.02289	2.8
119.03355	1.4
125.02335	3.2
129.01840	1.7
149.04527	1.4
152.99464	5.0
191.05559	2.0
195.13852	6.3
223.13316	4.2
228.13658	1.4
235.08142	2.1
274.33173	1.3
275.20206	4.3
278.15753	1.3
293.21219	100.0
294.21619	7.2
301.14157	1.4
397.13443	23.1
415.14645	11.1
569.42438	2.6
691.35242	4.3
787.28259	1.5
892.36151	1.5
1027.46936	6.2
1028.46204	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	1030.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.41452	38.5
78.95785	39.9
116.92722	39.0
132.24493	22.7
137.23181	27.1
148.31970	21.8
149.04533	25.1
156.35361	21.5
174.50955	26.4
232.72968	23.4
247.02174	23.6
254.68130	27.9
265.70941	29.7
293.21185	100.0
294.21677	56.3
397.13318	37.5
648.18414	28.7
818.39380	31.3
1030.50281	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.59
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	13.0
83.01232	5.6
85.02842	4.6
87.00739	6.6
89.02316	13.7
98.20579	9.5
101.02341	7.5
109.61131	3.9
113.02346	4.9
126.96436	4.2
141.24611	3.4
188.18430	4.0
192.37279	3.8
195.13799	7.5
209.10210	4.1
275.20193	5.3
277.21771	41.1
293.21228	100.0
294.21555	6.2
305.08795	3.8
379.12503	6.7
397.13562	44.9
398.14111	4.2
415.14465	11.6
578.67145	4.2
673.34540	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	996.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.5
69.07076	7.1
70.13502	4.2
71.04979	1.0
71.08636	11.2
73.02920	2.1
74.68542	1.0
79.05481	6.4
81.03411	4.6
81.07063	17.6
83.04980	2.8
83.08613	11.7
85.02908	11.8
85.06598	1.0
85.10178	8.7
87.04456	3.1
91.03976	5.7
91.05457	4.8
93.07045	4.6
95.04943	1.7
95.08612	14.3
97.02885	4.5
97.06517	1.8
97.10160	8.9
98.21434	1.1
99.11708	1.1
105.07043	1.9
107.04955	2.2
107.08601	5.2
109.10152	27.6
111.04417	1.6
111.08080	1.8
117.06919	1.4
119.08587	2.6
121.10167	2.0
123.11685	2.4
125.09642	9.0
127.03882	1.8
135.08005	1.2
135.11702	2.7
143.10695	2.4
145.04974	2.0
145.10118	2.6
149.13261	1.2
153.12718	2.4
153.25504	1.1
155.10611	1.7
163.06053	2.2
163.11156	4.8
173.11772	11.1
181.12196	2.1
191.10718	2.1
193.12193	2.2
199.13292	6.2
209.11763	4.6
212.86363	1.0
227.12755	8.7
229.14349	44.3
230.14833	1.3
239.23640	4.9
257.24622	1.5
267.15891	5.1
283.15384	4.5
301.16455	20.4
313.27371	100.0
314.27826	3.3
341.26874	2.9
399.23715	13.7
429.78143	1.2
437.36252	3.6
455.37314	9.4
467.37308	28.3
505.38684	3.2
521.38507	1.6
539.39484	13.6
557.40344	4.7
637.46777	41.7
638.47040	2.2
732.83997	1.3
966.34521	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	1001.5701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85773	2.3
71.01258	10.4
72.99166	1.1
73.02814	1.3
74.88501	0.5
76.20852	0.4
77.13630	0.4
78.95792	0.8
83.01263	0.7
83.04899	0.9
84.02067	0.5
85.02829	7.5
86.97185	0.5
87.00734	3.0
88.98682	1.8
89.02323	7.6
95.01282	1.0
95.04920	0.5
96.95886	1.7
97.02832	2.0
97.06452	2.4
99.00760	0.6
101.02325	6.2
111.00800	0.8
113.02323	4.1
115.44475	0.4
116.92757	1.0
119.03387	2.1
119.08570	0.6
121.10925	0.4
125.02332	2.8
125.09629	1.4
127.11199	1.2
131.03391	0.8
133.02794	0.5
135.04422	0.8
137.09630	1.9
143.03328	1.4
154.01778	0.5
155.10725	1.1
155.14255	0.5
161.02330	1.6
161.04410	2.4
163.11195	0.5
165.12735	0.6
171.10178	21.7
172.10519	1.2
179.05539	3.6
179.14369	0.6
181.12149	0.5
182.66870	0.4
183.13873	3.3
185.11752	1.3
193.12256	0.8
195.13841	4.3
197.11705	0.8
200.01874	0.5
201.11276	1.0
209.11807	1.8
211.13348	14.4
212.13631	0.7
221.06630	1.6
221.11812	2.2
223.13367	2.9
225.11250	0.6
229.12125	0.5
229.14426	10.4
230.14674	0.6
235.08203	2.3
239.12878	1.7
253.09344	0.8
275.20123	2.2
287.07614	0.7
291.19681	4.4
292.19470	0.6
293.21228	42.7
294.21667	3.0
305.08789	1.2
309.20724	9.9
310.21301	0.6
323.09790	0.7
327.21762	100.0
328.22110	6.2
346.26987	0.4
351.21844	0.5
379.12375	0.6
397.13489	17.2
398.13721	1.3
415.14563	19.1
416.15054	0.8
472.87778	0.5
545.29486	0.6
553.58081	0.5
603.42523	4.0
656.86047	0.5
691.36053	1.9
703.93329	0.5
707.34894	8.8
708.35687	0.9
725.36096	9.1
726.36469	1.6
1001.56750	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	1007.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16420	0.3
71.01250	6.0
71.49757	0.4
72.44265	0.3
73.02825	2.0
81.03338	2.4
82.76535	0.3
83.01272	1.5
85.02840	3.9
87.00770	0.5
93.03359	0.4
95.01270	0.8
97.02840	0.5
99.00764	1.2
99.04401	99.0
100.04762	2.1
101.02325	23.6
107.01255	1.0
107.20268	0.3
113.02341	3.5
115.24070	0.4
115.28861	0.3
125.02342	57.7
126.02682	1.3
131.60709	0.5
132.02115	0.6
133.02870	0.9
135.00786	0.8
135.04417	0.6
143.03400	5.6
151.00301	2.4
159.02901	0.7
159.04303	0.4
161.02393	1.2
161.04449	4.2
163.00336	0.9
164.01056	0.4
165.00073	0.6
173.04478	0.6
178.99802	1.2
185.06044	0.4
187.03975	1.1
191.05511	1.9
199.03923	0.6
211.03987	1.3
213.05505	0.7
227.03462	32.7
228.03851	2.3
229.05060	2.2
239.03477	1.1
241.04910	0.5
255.02979	59.6
256.03510	6.2
257.04492	1.9
269.10321	10.4
270.10739	0.4
275.54657	0.4
283.02542	1.1
284.03268	83.5
285.03943	24.2
286.04459	1.3
311.11371	26.6
312.11722	1.7
327.04825	0.5
339.05087	0.7
351.14374	3.0
369.15674	1.5
413.14532	40.2
414.14886	3.3
429.08234	0.7
593.15137	100.0
594.15521	12.5
724.08679	0.4
845.26129	0.4
912.07361	0.4
1007.28650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05156	0.4
67.05498	5.2
68.05006	1.0
69.03424	6.5
69.05811	0.6
69.07055	1.9
69.31216	3.7
70.02959	0.3
70.06577	4.8
71.01341	1.0
71.04985	68.8
71.08627	2.5
72.04507	0.6
73.02905	4.2
78.47882	0.3
79.05480	4.4
80.05027	0.5
81.03409	3.2
81.07044	4.9
82.06561	0.4
83.04962	1.0
83.08609	3.0
84.04532	0.5
84.08123	3.4
85.02892	6.5
85.10184	1.4
86.06057	6.8
87.04466	1.2
88.03979	3.2
91.03951	3.1
91.05470	1.9
93.07024	2.3
94.06545	0.5
95.04974	1.3
95.08583	3.1
95.09081	0.3
96.08118	7.9
97.02878	7.5
97.06512	0.6
97.10157	3.9
98.06056	3.1
98.09692	0.4
98.21426	0.7
98.59550	0.3
99.04443	0.9
100.07565	0.5
101.02370	1.4
104.07117	0.6
105.07030	1.0
106.06544	1.2
107.04939	0.5
107.08583	2.5
109.02881	1.2
109.06493	0.5
109.10144	2.3
109.31728	0.3
111.08076	1.2
112.07605	4.4
114.05534	0.6
114.09158	0.6
117.01831	0.3
117.06992	0.7
119.08556	0.5
120.08101	0.3
121.10176	0.4
123.08081	0.4
123.11718	0.5
124.07584	4.9
125.09612	3.0
127.03887	1.7
129.06953	0.4
131.08577	0.5
133.10124	0.6
135.08034	1.9
140.07072	0.7
141.07846	1.2
142.08623	5.9
145.04857	0.4
145.10068	0.6
147.08002	0.3
147.11641	0.3
149.09668	0.4
153.09055	1.6
154.86526	0.3
157.10101	0.4
158.08110	8.4
163.11169	0.6
170.08107	3.7
171.10158	0.3
188.09085	0.3
189.11177	1.7
197.39182	0.3
202.10797	0.7
227.12737	4.3
227.14452	0.3
239.23645	0.4
248.16388	0.7
262.18018	0.3
266.17538	0.4
313.27325	7.0
361.02905	0.3
483.36880	0.4
578.43964	0.6
624.44043	1.0
636.55273	0.3
642.45459	3.3
643.71014	0.3
804.50519	2.5
966.56177	100.0
967.56567	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	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	5.8
69.07066	25.1
71.04972	6.0
71.64551	5.2
71.64940	6.4
73.02892	4.4
79.05494	73.7
81.07053	83.0
83.08603	8.6
85.02901	21.7
85.06509	3.4
91.03957	17.4
91.05479	85.5
91.05959	3.2
93.07046	100.0
95.04952	10.4
95.08601	73.4
95.09168	6.5
97.02898	8.5
97.06495	5.1
97.10190	6.7
105.07024	77.5
107.08591	55.1
109.10136	30.6
117.07012	27.0
118.35458	3.8
119.08572	50.7
121.10131	35.8
123.08047	4.2
123.11734	7.9
127.03951	4.5
129.07018	9.7
131.08568	37.0
133.10130	53.0
135.11687	29.3
137.58841	3.3
141.06963	3.9
143.08572	12.5
145.04970	8.6
145.10121	34.0
147.11696	44.0
149.13313	19.0
151.11130	3.5
157.10146	12.7
159.11691	29.1
161.13266	33.6
163.06012	9.6
163.14862	7.5
169.10016	6.1
171.11711	16.3
173.13318	17.4
175.14885	14.6
185.13280	9.9
197.13354	5.9
199.14832	8.4
201.16376	5.3
213.16313	3.7
229.19466	5.3
231.21101	7.3
239.18001	6.8
241.19528	32.1
243.21048	6.7
257.19043	8.8
259.20566	68.4
261.22162	12.7
281.21207	3.5
304.78281	3.2
333.24200	51.7
335.25815	97.9
335.29834	4.8
336.26297	3.9
337.27515	4.9
519.41931	9.9
593.45813	21.1
611.37677	6.1
611.46704	87.3
612.46436	6.1
645.72900	3.6
714.83527	3.7
719.47552	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	966.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03076	0.1
69.03427	2.3
70.92957	0.3
71.01356	0.2
71.04989	4.7
73.02912	0.2
75.04462	0.3
79.05470	0.4
81.03407	0.9
83.04963	0.8
85.02899	7.9
87.04461	0.2
89.03911	2.4
91.05471	0.4
95.04933	0.1
97.02281	0.2
97.02889	3.9
99.04446	0.5
101.02396	0.2
101.50217	0.1
105.07000	0.1
107.04945	0.9
109.02857	0.4
111.04419	0.7
117.03369	2.8
119.04931	0.2
121.06484	0.2
125.02335	0.1
127.03907	0.8
129.05479	3.1
135.04408	8.1
137.05972	2.5
145.02838	7.6
145.04948	0.6
145.05940	0.1
145.06499	0.1
146.03171	0.2
147.06506	1.9
149.05969	0.3
151.07538	0.4
155.07033	0.2
161.05948	0.4
163.03894	100.0
164.04231	1.5
165.05478	0.5
167.07062	0.2
175.07452	0.1
179.06985	1.0
181.04945	2.0
181.06470	0.2
186.05432	0.2
197.08063	0.2
201.27992	0.1
203.07039	0.3
219.18744	0.1
221.08118	0.4
227.06795	0.1
245.08138	0.3
247.09628	0.9
254.07944	0.1
255.08704	0.2
263.09161	0.4
265.06958	0.2
265.10693	1.0
273.07217	0.2
273.09775	0.4
281.10208	0.2
283.11816	0.2
291.08679	0.3
291.60910	0.2
301.12796	0.3
307.08096	0.9
309.09637	0.8
309.12265	0.4
325.09155	29.0
326.09418	0.7
435.12967	0.2
454.65381	0.1
461.13947	0.1
471.15082	0.5
487.14529	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	966.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04269	0.4
67.05501	8.0
68.05021	0.8
69.03426	27.5
69.07065	5.9
70.02948	1.7
70.06579	1.3
71.04991	1.4
71.08631	3.3
72.04515	1.3
73.02911	0.5
79.05486	2.9
80.05005	1.3
81.03413	2.1
81.07054	4.4
82.06573	2.8
83.04979	1.0
83.08610	1.6
84.04504	2.9
84.08141	16.1
85.02919	2.1
85.10151	1.9
86.06068	2.8
87.03922	0.5
87.04462	9.6
88.03510	0.5
88.03978	2.6
91.03943	0.5
91.05472	2.5
93.07043	2.6
94.06554	3.4
95.04969	1.6
95.08603	3.2
96.04481	0.8
96.08128	0.6
97.02890	2.0
97.06519	1.1
97.10175	1.0
98.06053	2.1
102.05537	5.2
105.07012	1.2
106.06531	0.4
107.08573	0.9
109.06499	0.5
109.10152	6.1
110.06042	1.3
112.07598	83.2
113.07959	0.5
115.07267	0.4
119.08561	1.7
120.06540	0.5
121.10152	1.1
122.06010	0.6
123.04462	0.9
123.08083	0.5
123.11668	0.7
124.07623	0.7
127.03917	0.4
129.07007	0.6
130.08594	0.5
133.10121	0.7
135.11694	0.5
138.09113	0.8
140.07056	100.0
142.08574	0.5
145.10104	1.0
147.08060	0.5
147.11679	0.6
149.09622	1.3
157.10201	0.4
158.08119	9.8
163.11249	1.9
163.12410	0.4
164.07080	0.6
166.08650	0.5
173.11740	1.4
174.07646	0.7
175.11198	0.4
180.13818	1.6
190.12306	1.2
191.10629	0.6
208.13341	1.2
222.14957	0.5
229.14336	3.9
229.45927	0.4
230.15338	0.5
255.16043	0.7
266.17426	0.9
267.15961	2.0
268.15323	0.5
276.15894	1.3
284.18491	1.0
294.17026	1.6
302.12241	2.4
312.17960	1.7
313.27344	8.3
330.49060	0.4
342.18948	0.4
368.20587	1.9
386.21671	1.4
393.44339	0.4
436.35052	0.4
464.56812	0.4
467.37186	3.0
470.34717	0.4
480.35510	0.4
505.38870	1.5
598.42798	0.6
606.43707	2.1
624.44623	26.2
625.44904	0.8
642.45721	42.0
643.45618	1.6
786.36621	0.4
786.49921	4.8
804.50983	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	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	39.0
69.03422	6.9
69.07067	20.6
69.46132	6.2
69.46551	3.7
71.01360	1.3
71.04990	2.5
71.08630	25.6
73.02914	2.8
79.05493	28.5
79.05956	1.5
81.03410	7.7
81.07054	53.5
83.04986	8.0
83.08154	1.3
83.08622	18.6
85.02893	9.9
85.06537	2.4
85.10181	14.7
91.03951	5.2
91.05479	23.6
93.07044	30.2
95.04961	7.1
95.08605	36.7
97.02896	9.8
97.06520	9.6
97.10170	9.0
99.04460	2.2
99.08084	2.7
99.11702	2.0
102.86659	1.0
105.07035	18.5
107.04946	4.9
107.08590	17.7
109.02875	1.2
109.06518	5.8
109.10158	17.3
111.08068	2.9
117.07013	10.4
119.08573	15.3
121.06518	3.1
121.10146	13.5
123.08074	2.7
123.11670	6.2
125.09623	3.1
127.03915	4.8
129.05501	1.4
129.06999	3.1
131.08553	13.2
133.10136	13.8
135.08046	2.3
135.11681	9.3
137.09648	2.5
137.13237	1.8
141.07053	1.5
143.08560	3.3
145.04953	2.8
145.06511	1.3
145.10139	9.3
147.11696	5.5
149.09569	9.7
149.13268	8.3
151.11115	1.8
157.10063	2.6
159.11696	9.9
161.13269	3.4
163.11176	4.8
165.12782	1.4
169.10191	2.3
171.11678	1.9
173.04504	2.5
173.13258	3.3
177.12788	4.0
183.11635	1.4
187.11127	1.2
193.12129	1.2
195.13803	4.3
199.14778	1.6
213.14563	1.1
217.15865	2.9
227.12785	4.1
229.14326	1.7
239.18002	2.3
239.23668	2.9
255.15886	14.4
257.18994	6.3
257.24857	1.9
267.15939	1.9
269.17462	36.9
270.17746	1.1
275.20084	27.0
293.21106	3.3
309.20566	1.7
313.27359	97.3
314.27679	1.4
331.22604	3.3
339.18048	1.7
349.23737	27.7
367.24768	4.8
395.20746	1.7
413.21603	3.2
457.26019	1.6
467.37085	3.2
493.38950	20.2
494.39514	1.4
507.40451	100.0
508.40753	4.0
547.43707	5.9
587.46655	41.9
588.46832	1.6
605.47736	11.7
651.44086	1.6
731.51630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	38.7
69.03416	5.3
69.06727	1.9
69.07066	24.6
70.89169	1.5
70.89503	3.2
71.04977	2.8
71.07883	1.1
71.08626	26.0
71.59412	1.1
73.02921	1.7
79.05488	26.8
81.03410	8.7
81.07050	49.9
83.04988	7.4
83.08618	17.0
85.02887	11.4
85.06519	1.9
85.10182	17.7
91.03944	4.2
91.05471	21.1
93.07040	30.9
95.04956	7.8
95.08604	35.8
97.02867	7.5
97.06533	8.7
97.10151	14.2
99.08050	1.9
103.07597	1.5
105.07032	20.3
106.07395	1.3
107.04947	4.9
107.08591	22.0
109.02844	2.1
109.06514	2.8
109.10157	19.3
111.08081	3.3
111.11744	2.3
113.39004	1.4
117.07008	9.1
119.08574	13.3
121.06508	2.6
121.10159	8.7
123.04457	1.2
123.08078	2.4
123.11732	6.2
123.82696	1.3
125.05976	1.5
125.09644	8.4
127.03911	3.5
128.06322	1.7
129.06943	2.3
131.08553	11.7
133.10118	12.5
135.08066	3.5
135.11688	8.0
137.09615	1.9
143.08546	3.7
145.04944	3.3
145.10118	9.1
147.11702	6.8
149.09624	6.8
149.13255	7.1
157.10159	3.6
159.11716	8.8
161.13232	2.8
163.11182	5.7
165.07883	1.3
169.10065	1.8
171.11697	2.6
173.04459	2.1
173.13268	3.6
177.12712	2.3
179.14333	2.1
183.11670	1.3
184.07324	3.5
185.13220	1.3
187.11145	1.7
189.11200	4.2
193.12335	1.6
195.13850	2.9
197.13243	1.8
211.64868	1.3
227.12798	17.0
229.14375	3.3
229.19548	1.6
239.17961	2.4
239.23473	2.5
247.20526	3.0
255.15956	4.5
257.18976	7.5
269.17468	12.3
275.20038	28.3
282.71844	1.2
293.20999	2.8
313.27359	100.0
314.27698	3.3
331.22733	2.5
349.23715	32.6
367.24695	1.7
467.37085	3.3
483.36493	3.0
493.38870	16.6
507.40433	67.5
508.40594	2.3
547.43622	2.2
569.45532	1.5
587.46692	50.6
588.46741	1.9
605.47815	9.0
627.41315	1.6
651.44550	3.9
895.27100	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	962.604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04867	2.8
67.05154	4.7
67.05503	17.5
69.03423	7.3
69.07079	18.1
69.30685	3.8
69.31094	24.3
71.08627	13.5
79.05501	11.5
81.03416	3.5
81.07054	19.5
81.53635	2.2
83.08610	12.3
85.02906	4.8
85.10160	5.6
91.05479	8.9
93.07039	10.1
95.04961	7.2
95.08603	19.7
97.02886	4.6
97.06521	2.5
97.10161	9.8
98.21635	3.9
105.07014	5.8
107.04950	4.6
107.08578	7.8
109.10176	10.8
111.08088	3.2
117.07012	3.3
118.93019	2.1
119.08580	7.5
121.06505	3.7
121.10118	2.7
123.11702	2.6
125.09593	5.6
129.07034	4.2
131.08574	5.7
133.10146	3.2
135.08018	2.6
135.11694	2.7
147.08014	3.1
165.67896	2.1
186.22383	2.3
189.11310	2.4
211.56226	2.3
217.11926	2.1
223.13336	13.2
227.12628	4.5
253.14398	3.4
273.18591	12.0
291.16757	1.7
291.19501	68.9
313.27371	72.4
347.22476	2.2
365.23233	62.1
499.55435	2.5
523.39978	6.6
585.44995	5.7
603.46191	100.0
706.44604	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	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05164	3.0
67.05503	45.3
69.03425	6.7
69.07063	24.1
70.06591	1.9
71.04998	3.4
71.08628	28.2
71.39220	1.5
71.65515	2.2
73.02908	3.0
75.70303	1.6
79.05488	34.0
81.03412	7.2
81.07054	53.1
83.04980	9.5
83.08611	17.9
85.02904	14.6
85.06538	3.3
85.10185	17.8
91.03954	6.5
91.05479	26.8
93.07034	35.9
95.04967	7.5
95.08605	38.4
96.08148	1.6
97.02886	6.4
97.06529	10.1
97.10194	12.2
99.08100	3.0
105.07024	28.2
107.04977	2.4
107.08588	26.5
109.02889	2.2
109.06524	4.9
109.10165	20.6
110.84854	1.5
111.08085	2.6
112.12679	1.8
115.05447	2.5
117.07003	12.7
119.08580	18.4
121.06472	3.1
121.10151	12.5
123.08087	2.7
123.11700	6.4
123.30888	1.7
125.09641	7.2
127.03915	4.6
129.06992	2.4
130.07837	1.8
131.08549	15.0
133.10132	13.3
135.08083	3.5
135.11720	11.7
141.07010	2.8
143.08569	4.1
145.04935	4.8
145.10114	12.5
147.08022	2.2
147.11667	10.1
149.09615	10.1
149.13281	7.8
151.11250	2.1
155.08484	1.6
157.10158	4.6
159.11696	9.7
159.61156	1.6
161.09622	1.8
163.11191	7.1
169.10092	2.8
171.11667	4.5
173.13269	4.4
175.11093	2.1
177.12747	3.4
179.14314	2.0
183.11676	2.6
195.13844	2.5
197.13304	2.7
217.15875	3.4
227.12770	10.2
229.14366	1.8
239.23830	2.8
247.20499	2.8
255.15907	13.1
257.19003	10.4
257.24844	3.1
269.17496	37.6
271.27048	1.7
274.45560	2.1
275.20050	34.4
293.21188	3.6
313.27356	100.0
314.27554	3.7
331.22528	4.6
349.19519	1.4
349.23724	33.3
367.24866	5.2
483.36780	3.4
493.38892	17.4
507.40417	56.0
508.41019	2.2
547.42896	1.8
587.46722	51.5
588.47284	3.3
605.47699	12.6
606.47363	2.0
720.41327	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	962.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04796	1.5
67.05187	4.1
67.05507	16.7
69.03422	4.4
69.06721	1.0
69.07072	14.6
69.32343	3.3
69.32763	7.1
70.16696	0.7
71.04977	1.2
71.08282	1.0
71.08632	11.0
73.02892	1.1
79.05488	10.2
81.03406	4.7
81.07051	18.1
83.04970	1.5
83.08631	7.2
85.02888	3.0
85.06543	1.0
85.10184	6.2
90.56469	0.8
91.03958	2.0
91.05481	8.7
93.07042	9.6
95.04968	4.1
95.08604	13.1
97.02875	7.7
97.06503	2.5
97.10167	9.6
102.22952	0.8
105.07032	6.2
107.04961	4.0
107.08595	7.8
109.06535	1.1
109.10151	9.1
111.08073	1.0
112.61549	0.9
117.07010	3.3
119.04904	0.8
119.08576	7.4
121.06522	2.0
121.10121	3.7
123.08031	1.6
123.11662	2.0
125.09641	6.2
127.03922	1.5
129.06993	1.3
131.08565	4.8
133.06467	2.0
133.10112	2.6
135.08041	1.4
135.11696	1.7
137.09500	1.2
143.08568	2.5
145.10118	3.7
147.08032	3.5
147.11687	1.6
149.09625	1.0
150.99207	0.8
153.12680	0.8
157.10146	2.0
159.11705	0.9
161.09590	1.3
163.11240	1.5
175.11182	2.0
178.57903	0.9
189.11211	2.7
193.12151	0.8
196.36298	1.0
205.12288	1.4
223.13272	12.8
227.12775	5.0
227.19943	1.1
239.23619	1.7
249.14890	1.7
257.24817	1.3
267.15921	1.7
273.18451	10.3
291.19528	66.1
313.27359	69.0
332.73615	0.8
347.22186	2.4
365.23227	57.5
366.23361	1.1
397.02695	0.9
505.38779	1.2
523.39807	6.9
585.45300	1.9
603.46161	100.0
604.46252	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	954.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	38.4
69.03416	2.0
69.07066	10.1
71.04988	1.4
71.56061	1.7
72.40572	0.6
73.02908	2.6
77.03907	0.8
79.05488	26.3
79.19475	0.9
81.03392	1.3
81.07051	42.9
83.04972	1.5
83.08610	6.5
85.02897	12.3
85.06550	1.4
87.64938	0.8
91.03946	7.8
91.04892	0.9
91.05477	16.0
93.07042	32.6
95.04935	1.9
95.08600	35.1
97.02876	7.4
97.06519	2.1
97.10157	2.2
99.08076	1.4
105.07025	15.0
107.08588	17.6
109.06512	1.1
109.10148	16.5
111.08075	1.4
111.11716	0.9
115.03868	1.0
116.62031	0.8
117.07041	5.3
119.08572	13.4
121.10139	16.2
123.08048	1.3
123.11694	6.7
123.14828	0.7
127.03910	3.0
129.06989	1.1
131.08553	10.4
132.33922	0.7
133.10121	10.7
135.11688	11.9
137.09573	0.7
137.13229	2.5
143.08557	2.4
145.03944	0.9
145.04930	4.7
145.10106	8.0
147.11678	9.7
149.13255	7.5
151.14832	0.9
153.12749	0.8
157.10120	2.1
159.11679	7.2
161.13245	7.9
163.06004	7.1
163.14804	3.1
166.57933	0.8
169.10193	0.9
171.11659	2.0
173.13261	6.2
175.14905	3.8
177.16370	1.8
183.11679	1.0
185.13269	2.2
187.14771	4.0
199.14809	1.5
201.16434	1.1
213.16379	1.4
225.16592	0.8
229.73967	0.7
231.17548	0.9
241.19539	3.3
243.21097	4.7
253.87672	0.7
259.20557	10.5
261.22122	19.1
263.23608	2.1
294.17010	0.8
314.84824	0.8
315.23328	1.2
317.24692	3.8
327.27063	1.1
333.24301	7.3
335.25784	100.0
336.26093	2.1
337.27368	11.7
353.55646	0.8
438.43509	0.8
503.42755	0.9
521.43646	4.0
539.44574	1.4
543.40363	1.4
595.47223	16.7
596.47327	1.2
613.38953	1.2
613.48303	20.5
732.17871	0.8
901.74823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.9
68.05029	1.8
69.03426	2.6
69.05795	0.6
69.07058	1.0
70.06590	11.0
70.86507	0.2
70.88882	0.5
71.01360	0.4
71.04984	0.7
71.08633	1.0
72.08150	0.5
73.02914	2.2
78.04723	0.2
79.05488	1.9
80.05012	1.5
81.03421	1.0
81.05803	1.3
81.07051	1.7
82.06571	2.0
83.01355	0.2
83.04962	0.2
83.08604	0.7
84.08136	1.4
85.02899	3.6
85.10181	0.5
87.04484	0.3
91.03951	1.8
91.05483	0.5
93.05775	0.2
93.07040	0.6
94.06563	3.2
95.04945	0.7
95.08591	1.4
96.08125	100.0
96.44890	0.2
97.02885	3.2
97.06530	0.3
97.08459	0.7
97.08974	0.5
97.10150	0.3
98.06059	0.3
98.09693	1.7
99.04451	0.5
100.07639	0.3
101.02390	0.9
105.06976	0.2
106.06557	0.5
107.08591	0.6
108.08128	0.2
109.02898	0.3
109.10142	0.8
110.06062	0.3
112.07625	0.4
118.06559	0.3
119.08591	0.4
121.10146	0.5
122.09686	0.3
124.07594	1.5
125.08372	0.6
126.09136	1.6
127.03901	0.5
131.08577	0.2
135.11682	0.2
136.07559	0.2
136.11134	0.2
138.05438	0.3
140.07091	0.4
142.08633	2.4
143.09413	0.2
145.04976	0.4
145.10091	0.3
146.05954	0.2
149.09668	0.3
154.08644	1.5
163.11174	0.2
170.08171	0.8
175.11110	0.2
182.11942	0.2
191.10803	0.2
206.15421	0.5
208.16989	0.3
215.55347	0.2
216.13713	0.2
222.18594	0.4
234.14867	1.6
236.16446	2.8
239.68765	0.2
240.19659	0.7
250.18086	0.6
252.15901	1.0
254.17523	4.4
268.19260	0.3
278.17514	0.3
296.18735	0.8
310.20239	0.6
313.27313	1.3
314.19714	0.4
326.19659	0.4
328.21088	1.5
388.23621	0.4
564.42328	1.9
565.42517	0.3
566.44061	2.6
566.52124	0.2
580.46118	0.4
582.43311	1.0
608.35443	0.2
608.45197	4.0
624.44678	0.3
626.46234	5.1
627.46674	0.3
726.47711	0.6
728.49377	0.2
742.51086	0.4
770.50238	2.7
771.50433	0.3
788.51825	3.0
890.56189	0.3
904.56805	1.6
932.55670	7.3
948.55261	0.4
950.56769	39.2
951.56500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05209	0.2
67.05503	1.5
68.05022	1.2
69.03432	1.7
69.05794	0.4
69.07063	0.7
69.92519	0.7
70.06590	7.7
71.01363	0.3
71.04982	0.6
71.08636	0.9
72.08163	0.2
73.02592	0.1
73.02920	1.3
77.39342	0.1
79.05488	1.5
80.05014	1.1
80.69232	0.1
80.80657	0.2
81.03417	0.9
81.05788	1.0
81.07057	1.0
82.06587	1.3
83.04975	0.3
83.07336	0.2
83.08617	0.5
84.08134	1.1
85.02901	2.2
85.10168	0.5
86.06069	0.2
87.04469	0.2
91.03970	1.1
91.05457	0.4
93.07035	0.6
94.06567	2.6
94.60213	0.2
95.04952	0.6
95.07368	0.2
95.08606	0.8
96.08125	100.0
97.02885	2.5
97.06501	0.2
97.07915	0.2
97.08459	0.6
97.08971	0.3
97.10152	0.3
98.06073	0.2
98.09681	1.3
99.04476	0.2
100.07593	0.2
101.02358	0.7
105.07015	0.3
106.06551	0.3
107.08581	0.4
108.08109	0.2
109.02874	0.2
109.10169	0.6
110.06041	0.3
110.09685	0.2
112.07605	0.5
117.07060	0.2
119.08566	0.3
120.08070	0.2
121.10141	0.2
124.07595	0.8
125.08374	0.2
126.09132	1.1
127.03931	0.5
131.08636	0.2
140.07028	0.2
141.07822	0.2
142.08633	2.2
146.09372	0.2
153.12825	0.2
154.08656	0.5
163.11197	0.1
170.08153	0.5
172.09654	0.2
177.55913	0.1
192.45569	0.1
206.15411	0.2
208.16930	0.2
220.56970	0.1
222.18666	0.2
234.14957	1.1
236.16464	1.9
240.19608	0.7
250.18016	0.3
252.15974	0.5
254.17523	2.6
254.19936	0.2
268.19202	0.3
275.68033	0.1
278.17688	0.3
296.18585	0.7
308.18634	0.2
310.20273	0.3
313.27304	1.0
314.19641	0.4
326.19742	0.4
328.21124	0.9
370.22250	0.4
381.35721	0.1
388.23376	0.2
388.46341	0.2
514.42194	0.2
564.42487	1.6
566.44287	1.7
580.46014	0.5
582.43524	1.0
608.45245	4.3
624.45154	0.3
626.46240	4.5
627.46362	0.3
726.47906	0.6
728.49542	0.3
742.51123	0.5
754.54584	0.2
770.50378	3.1
788.51233	1.9
789.52301	0.2
796.67474	0.2
827.12372	0.2
876.56689	0.3
888.52686	0.5
890.54877	0.4
904.56506	2.4
932.55627	6.1
932.74390	0.3
933.56134	0.3
948.54401	0.4
950.56775	17.2
951.57257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.5
68.36437	0.4
69.03432	4.0
69.07079	0.8
70.32388	1.1
71.01360	0.5
71.08632	0.9
73.02910	3.8
78.94173	0.3
79.05482	1.8
81.03423	1.6
81.07043	2.4
82.56416	0.3
82.63866	0.4
83.08614	0.7
85.02905	6.2
85.10197	0.4
91.03940	3.9
91.05450	0.8
93.07050	1.6
95.08588	1.9
97.02887	5.2
99.04461	1.2
101.02361	2.3
104.99275	0.5
105.07045	0.5
107.08604	0.6
108.86533	0.3
109.02885	0.9
109.10178	0.8
115.03979	0.9
119.08632	0.4
121.10143	0.5
127.03933	1.6
162.99979	0.4
185.04298	1.5
196.18654	0.4
203.05344	1.1
243.08296	1.9
286.99002	0.5
347.09586	1.9
365.10712	1.3
405.13602	5.9
405.18393	0.5
497.30847	3.8
519.29486	4.9
659.35992	3.3
681.34497	6.8
775.52887	0.9
783.87427	0.4
937.58533	100.0
938.58820	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	936.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.9
65.19584	1.7
67.05502	77.2
69.03427	14.7
69.07058	27.8
70.06583	2.0
71.04987	10.5
71.08600	2.5
71.64041	3.1
71.64436	2.9
72.88599	1.9
72.95870	1.7
73.02908	5.4
79.05489	85.3
81.03415	77.1
81.03817	1.2
81.03909	2.5
81.06574	4.6
81.07053	81.3
83.04980	29.9
83.08614	34.2
83.47515	2.2
84.66570	2.0
85.02420	3.8
85.02899	51.3
85.06519	4.2
86.09702	3.4
91.03945	11.4
91.05476	100.0
93.07040	89.2
95.04359	2.9
95.04962	44.1
95.08604	49.4
97.02879	21.8
97.06536	15.7
97.10167	11.1
99.04440	3.8
99.08087	5.8
103.05475	2.1
105.07025	84.5
107.04968	15.4
107.08596	43.5
109.02856	3.4
109.06517	11.9
109.10159	19.6
111.04424	6.0
111.08073	16.2
113.05935	2.4
115.05435	5.2
117.06999	23.7
119.08572	68.6
120.73090	1.9
121.06488	8.1
121.10133	29.9
123.08070	9.3
123.11716	4.4
125.09630	6.6
127.03893	9.4
128.06163	3.7
129.05460	8.1
129.06987	25.3
131.08562	40.9
133.06458	5.5
133.10132	54.4
135.08060	6.3
135.11687	19.2
137.09612	4.5
141.06918	4.0
142.07787	3.9
143.08559	12.3
145.04955	8.3
145.06506	2.7
145.10121	26.4
147.08018	5.0
147.11690	52.1
149.09631	17.3
149.13261	12.2
151.11227	4.5
153.09041	2.5
155.08527	5.6
157.10124	29.5
159.11673	21.6
161.09543	2.3
161.13255	19.7
163.03860	3.1
163.06013	5.0
163.11208	7.3
165.12737	4.1
169.10109	7.0
171.10268	2.2
171.11636	11.4
173.04602	2.4
173.09593	2.3
173.11842	3.8
173.13165	13.4
175.11156	21.8
175.14804	7.6
177.12724	3.3
181.10094	2.6
183.11681	4.9
185.13228	5.9
187.14909	4.8
189.11148	2.6
193.10416	3.2
193.12231	64.8
195.13809	5.9
197.13168	3.9
199.14874	4.7
211.13252	79.3
211.15233	3.9
212.13629	2.6
213.16521	2.7
219.17578	2.2
227.12737	7.3
229.23282	2.1
231.21109	3.7
241.19511	15.9
257.18954	7.0
259.20569	43.9
267.15891	31.4
269.17462	24.1
273.18378	2.0
275.20129	18.0
283.15338	6.4
285.16949	73.6
293.20963	3.6
301.16516	7.4
314.88126	2.0
315.23209	2.8
333.24255	36.5
349.23758	11.5
415.30466	2.7
433.30844	7.7
439.26242	1.9
451.32056	4.1
461.28949	12.0
469.32761	2.8
477.28314	5.1
479.30035	37.8
491.29886	3.5
507.34521	2.7
515.37579	2.7
525.35675	20.4
541.35315	6.2
543.36841	50.5
544.37366	2.4
559.28448	2.5
559.35901	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	931.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94323	1.4
66.62090	0.8
67.05484	1.1
71.16617	1.1
71.16961	2.1
71.94492	1.0
74.68644	1.0
79.05475	2.2
91.05480	1.1
93.07048	0.9
94.85484	0.8
98.97581	2.6
103.05479	1.0
105.07025	6.8
109.10173	1.1
116.98563	1.2
133.06482	5.2
136.95377	1.0
137.05936	3.1
145.10132	1.1
150.06754	1.9
165.09071	3.7
193.08586	32.0
216.07558	4.1
232.04950	100.0
271.25739	0.9
277.03717	1.9
291.19571	1.0
292.06253	1.9
295.04849	2.8
310.07184	5.8
321.21725	1.0
348.18805	1.0
365.32175	1.1
409.16165	1.2
425.13544	6.0
470.86456	1.0
485.15662	57.0
486.15909	1.9
505.50006	1.1
536.61273	1.2
606.66693	1.1
861.71490	1.0
903.94299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6292
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03972	0.7
65.23575	0.8
67.04117	0.7
67.05169	1.6
67.05499	22.4
69.03407	1.1
69.07076	6.0
71.05004	0.9
71.08624	10.4
71.64349	0.8
71.64790	1.3
73.02908	1.1
79.05487	11.2
81.03394	0.8
81.07053	22.2
83.08619	5.2
85.02900	9.5
85.10188	6.7
89.06001	1.2
90.83867	0.8
91.03947	7.6
91.05466	6.3
93.07039	13.2
95.04988	0.9
95.08600	24.7
97.02890	5.6
97.06516	1.4
97.10171	2.8
99.04446	0.9
105.07046	4.0
107.08583	8.6
109.10146	10.9
111.11665	0.8
111.32391	0.8
113.09648	0.9
115.03977	0.9
117.06992	1.5
119.08549	4.7
119.45335	0.9
121.10145	9.0
122.70583	0.7
123.11697	4.1
127.03923	4.3
131.08551	5.3
133.10139	3.9
135.11703	7.3
137.13242	1.9
145.04985	3.7
145.10118	3.5
147.11655	2.9
149.13213	4.5
159.11656	4.1
161.13248	2.4
163.06030	6.3
163.14816	2.6
173.13289	3.8
177.16429	1.1
187.14816	1.3
208.44987	0.8
239.23645	2.7
243.21066	8.1
243.80978	0.8
261.22128	35.1
262.22549	1.0
279.23196	1.1
282.50504	0.8
313.27344	100.0
314.27719	1.8
317.24734	6.0
334.96207	0.8
335.25784	81.3
336.25876	0.9
573.48749	48.2
574.48828	1.9
591.49615	7.1
716.85565	0.9
797.42804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	34.6
68.26743	0.9
69.03417	3.1
69.07066	10.5
71.04973	1.9
71.08628	20.1
71.65841	1.0
73.02896	3.5
79.05489	14.0
81.03412	6.4
81.07050	24.9
83.04968	4.7
83.08611	14.7
85.02894	15.9
85.06538	2.3
85.10173	10.3
87.04453	2.8
89.06022	1.5
91.03941	4.8
91.05469	7.7
91.24559	0.9
93.07045	7.4
95.04941	3.6
95.08603	24.3
95.09217	1.2
97.02888	7.1
97.06521	3.7
97.10169	12.8
99.04432	1.7
99.11773	0.9
105.07020	2.6
107.04961	2.3
107.08594	7.9
109.06483	1.0
109.10150	29.5
111.04438	5.4
111.08072	1.2
115.03954	1.1
117.06989	2.2
119.08562	3.3
119.32454	0.8
121.06491	1.0
121.10129	5.6
123.08067	0.9
123.11689	3.3
125.09627	9.1
127.03912	2.5
129.06929	1.1
131.08539	2.8
132.79387	0.8
133.10133	1.9
135.08067	0.9
135.11710	4.2
137.09573	2.1
139.11113	1.6
143.10670	2.5
145.04951	2.1
145.10127	4.3
147.08099	1.1
147.11507	1.0
149.09698	1.4
151.11234	1.0
153.12688	1.4
155.10660	1.2
163.06030	2.3
163.11162	4.9
173.09695	2.0
173.11720	5.6
181.12161	2.3
191.10677	4.2
199.13268	7.5
209.11714	19.3
211.13197	1.1
227.12749	8.3
229.12057	2.0
229.14346	33.4
239.23653	3.6
241.14380	1.8
257.24844	1.6
265.14343	1.4
267.15976	1.0
283.15384	15.8
301.16446	32.3
311.25897	1.4
313.27341	100.0
314.27701	2.4
335.25961	2.1
341.26746	2.4
360.85944	0.8
437.36133	3.5
455.37271	14.3
467.37338	31.7
468.37759	1.3
479.37057	1.4
521.38239	12.7
539.31549	1.6
539.39349	26.5
557.40271	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	920.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49133	0.1
69.03407	0.3
69.55128	1.1
71.04995	0.9
85.02895	2.1
95.04893	0.2
97.02860	0.4
101.16393	0.2
121.02868	0.2
129.05438	0.5
137.02310	0.4
145.04909	0.2
156.45575	0.1
163.03876	0.2
165.06949	0.2
167.03394	0.6
176.06192	0.2
177.07115	0.2
178.07689	2.4
179.03366	0.3
189.06975	1.0
190.07736	1.1
191.08534	1.0
191.84161	0.1
192.09322	0.3
193.06483	0.2
193.10077	0.3
197.04419	0.2
202.07748	0.5
203.08556	0.6
205.06427	0.6
206.07253	4.0
207.08058	0.3
208.08838	1.6
215.07025	0.3
217.06499	0.7
218.07253	2.5
219.07999	1.0
220.08781	0.7
221.09593	23.4
222.09889	0.6
223.11162	1.8
230.07301	0.3
231.08073	0.3
233.09610	1.8
234.06738	5.2
234.10359	0.2
235.07399	0.8
236.08292	1.6
243.06493	0.9
246.06723	0.5
247.07611	0.6
248.08286	0.9
249.09088	18.2
250.09456	0.8
251.07219	0.3
251.10654	1.0
259.08685	0.2
261.09036	0.6
262.09854	0.4
263.07126	0.3
264.07806	1.9
271.05984	0.6
274.04648	0.5
277.08716	0.2
278.09348	0.3
279.10132	100.0
280.10474	3.2
294.11484	0.2
296.12787	30.8
297.13269	0.9
302.04224	0.7
317.06531	36.5
318.06900	0.8
335.19061	0.1
476.73343	0.1
479.11633	0.7
608.96027	0.2
716.97412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84506	0.4
65.03927	1.0
67.05505	48.2
68.05830	0.5
68.07576	0.4
69.03429	2.9
69.07066	10.9
69.98293	2.7
71.01338	1.1
71.04987	2.7
71.08631	21.5
73.02924	2.4
75.04473	0.6
78.06081	0.4
79.05061	0.9
79.05495	12.0
81.03416	3.7
81.07056	24.0
83.04981	3.3
83.08619	13.9
83.09109	0.8
85.02902	16.7
85.06520	2.1
85.10181	13.4
87.04460	4.4
88.88821	0.5
89.06039	1.7
91.03947	4.6
91.05476	5.6
93.07053	5.6
95.04956	1.6
95.08603	21.2
97.02900	5.7
97.06523	1.3
97.10171	17.6
98.21480	0.5
99.08063	0.6
99.11717	0.6
101.02393	0.5
101.05984	0.5
103.03918	2.0
103.07594	1.3
105.07051	2.3
107.04948	1.4
107.08597	8.0
109.02831	0.5
109.06463	0.6
109.10155	40.7
111.08077	1.6
111.11694	0.9
115.60932	0.4
117.07011	1.3
118.16948	0.4
119.08581	3.5
121.10135	1.6
123.08072	0.9
123.11708	3.0
125.09631	14.3
127.03923	2.9
131.08565	1.5
133.10141	0.9
135.07974	0.5
135.11668	1.6
136.06255	0.5
137.02243	0.4
137.09627	1.5
137.13272	1.0
139.11096	0.6
143.10683	3.5
145.04971	1.5
145.10126	1.9
149.09648	0.6
153.12737	1.1
155.10655	2.1
158.40398	0.5
159.11745	0.5
163.05995	1.2
163.11182	2.7
173.11742	11.2
181.12250	1.1
189.11205	0.8
191.10622	1.1
193.12247	0.9
199.13300	12.1
209.11752	2.7
217.14331	0.6
221.22722	0.6
221.77292	0.5
223.13200	0.6
227.12779	6.4
229.14351	53.6
230.14799	0.8
239.23717	3.6
257.13849	1.5
257.24808	1.6
259.25058	0.5
265.14175	0.7
267.15897	2.4
283.15506	3.3
297.16971	1.4
299.15097	0.7
300.14816	0.5
301.12912	0.5
301.16470	24.7
313.27362	100.0
314.27811	2.9
335.25659	0.6
341.26913	2.5
359.02667	0.5
437.36322	6.3
455.37308	12.7
463.21710	0.8
467.37350	34.8
468.37292	0.7
478.62329	0.5
489.35602	0.9
503.37219	0.6
505.38925	1.6
521.38263	1.7
538.37622	0.8
539.39471	13.3
557.40326	2.7
589.47559	0.6
701.44458	1.7
769.50854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.4
67.05505	43.5
68.05823	0.9
69.03417	2.5
69.06728	1.0
69.07069	12.1
70.25691	3.1
71.01340	1.4
71.04992	2.5
71.08633	24.9
71.13972	0.6
73.02906	2.8
79.05489	13.5
81.03409	5.1
81.07056	25.0
83.04982	4.4
83.08615	18.3
83.09106	1.0
84.42067	0.6
85.02903	19.0
85.06541	1.8
85.10181	12.8
85.37889	0.7
87.04477	5.5
89.06023	2.0
91.03955	4.3
91.05475	5.0
93.07048	5.3
95.04959	2.3
95.08603	25.5
97.02892	6.2
97.06514	2.1
97.10166	26.2
98.21362	0.7
99.04408	0.7
99.11715	0.7
103.03924	1.7
105.07014	1.7
107.04950	2.3
107.08587	10.9
109.06501	1.0
109.10155	39.9
110.10448	0.7
111.04426	1.0
111.08054	2.1
111.11742	1.0
117.06995	1.3
119.08561	2.9
121.06435	0.8
121.10152	1.5
123.11687	3.4
125.09631	19.8
125.13277	0.7
127.03896	1.1
131.08545	0.8
133.10054	0.7
133.83652	0.7
135.11699	2.7
137.09593	1.3
137.13289	1.2
139.11246	0.8
143.10684	4.9
145.04968	1.4
145.10117	1.7
147.11690	0.7
151.14923	0.9
153.12730	2.6
155.10643	2.1
163.06056	1.5
163.11209	4.3
173.09654	0.7
173.10127	0.8
173.11740	11.7
181.12279	1.0
191.10625	1.9
193.12166	0.7
199.13307	11.6
209.11739	2.9
217.14363	1.5
227.12744	15.5
229.14362	43.0
239.23656	4.7
257.13882	1.5
257.24765	2.0
265.14407	0.7
267.16019	1.8
283.15488	4.3
301.12921	1.1
301.16452	35.2
313.27362	100.0
314.27765	2.2
319.17505	2.7
331.28427	1.1
341.26950	2.3
435.65942	0.7
437.36401	7.0
449.01746	0.7
455.37341	20.2
467.37326	27.3
468.37601	0.9
505.39334	0.8
521.38513	1.4
539.39447	19.5
557.40454	9.5
701.44366	1.4
765.71558	0.7
784.77069	0.6
798.30914	0.7
863.17474	0.8
917.42291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65394	0.2
66.37617	0.2
69.03422	0.2
79.05492	1.6
91.05486	1.1
93.07063	0.2
95.04953	0.4
101.08632	0.2
103.05472	1.8
105.07027	5.9
107.04922	0.6
108.05723	0.2
109.02846	0.5
109.06483	0.3
115.05396	0.3
118.04156	4.7
119.04909	0.6
120.05660	0.3
121.06480	1.0
122.07272	0.5
124.05193	2.3
130.04187	0.3
131.04938	0.3
132.05627	0.2
133.06480	8.9
134.07240	0.6
135.04370	0.5
135.08043	1.2
137.05948	1.5
141.74799	0.2
147.04364	0.2
149.05930	0.5
150.06767	2.6
151.07530	1.1
161.05992	1.9
162.92461	0.2
163.07542	0.3
165.07767	0.3
165.09111	5.3
175.07526	0.2
177.05455	0.3
178.06277	0.4
179.07121	0.3
193.08597	37.8
194.09338	2.6
201.05214	4.2
215.06819	0.4
216.07559	100.0
217.07994	0.9
234.08621	0.8
257.10211	2.4
296.94989	0.2
359.23956	0.2
409.16193	26.9
410.16620	0.6
427.17511	0.4
450.18854	0.9
469.18350	10.5
470.18497	0.3
565.77209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.1
67.05502	48.1
69.03422	3.6
69.07066	12.4
71.01341	1.4
71.04983	2.1
71.08628	25.0
73.02919	3.5
75.04470	0.5
79.05489	15.0
81.03422	5.5
81.07053	26.3
83.04975	3.9
83.08614	16.5
83.09110	0.7
85.02901	23.5
85.06540	2.2
85.10178	13.7
87.04467	6.1
89.06016	1.5
91.03960	5.7
91.05485	6.1
93.07043	6.3
94.73843	0.4
95.04949	2.1
95.08602	23.6
96.04512	0.5
97.02885	6.4
97.06551	2.6
97.07086	0.5
97.10168	24.1
99.04440	0.9
99.08044	0.5
99.11748	0.5
101.06030	0.7
101.09612	0.5
103.03920	1.9
103.07587	0.9
103.17696	0.5
105.07043	2.7
107.04938	1.3
107.08586	10.7
109.02876	0.6
109.06511	0.9
109.10152	40.6
111.04457	1.2
111.08054	1.9
111.11702	1.5
117.07008	1.2
117.09114	0.5
119.08585	4.8
121.06448	0.8
121.10181	2.6
123.08043	0.8
123.11683	2.9
125.09624	19.2
126.76760	0.4
127.03914	2.9
129.05516	0.6
131.08528	1.9
133.10106	1.2
135.11684	2.2
137.09576	1.5
137.13255	1.6
143.10683	3.6
145.04941	2.2
145.10107	2.0
149.09589	0.8
151.14873	0.7
153.12727	1.8
155.10658	2.1
163.05994	2.9
163.11171	3.5
169.12206	0.6
173.09601	0.7
173.10126	0.7
173.11732	10.5
181.12209	1.0
189.11223	0.7
191.10635	2.4
193.12228	0.7
199.13287	13.8
209.11768	5.0
217.14354	1.4
223.13171	0.5
227.12770	9.9
229.14342	50.9
230.14597	0.6
239.23691	4.5
245.13815	0.9
257.13791	1.7
257.24805	1.2
265.14236	1.2
267.15790	2.4
283.15369	4.0
297.17035	0.7
299.14908	1.0
300.15366	0.5
301.16440	31.1
302.16632	0.5
313.27353	100.0
314.27658	2.4
314.31134	0.5
319.17657	2.7
331.28458	0.6
335.25729	0.9
341.26797	2.4
369.34811	0.6
397.29382	0.7
437.36194	6.7
455.37341	18.4
456.37790	0.6
463.21829	0.8
466.60742	0.5
467.37332	26.3
468.37567	0.6
476.74069	0.7
505.38806	1.1
521.38226	1.1
539.39417	16.7
540.39655	0.8
557.40277	4.6
585.67773	0.6
701.44574	0.9
787.54218	0.6
853.24316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	0.8
67.05499	13.9
68.40816	0.5
69.03395	2.1
69.07063	5.8
69.41785	1.2
69.42190	3.9
71.04964	1.5
71.08624	19.2
73.02869	1.5
79.05484	8.3
79.42890	0.4
81.03410	59.1
81.07050	15.3
82.09624	0.5
83.04972	2.8
83.08611	16.4
85.02902	5.0
85.06515	0.7
85.10178	11.5
89.05990	1.4
90.02032	0.5
91.03949	3.5
91.05469	11.9
93.07034	5.4
95.04961	17.2
95.08598	16.0
95.20959	0.4
97.02873	4.0
97.06486	1.8
97.10163	5.4
99.08062	0.6
99.11739	0.6
103.07589	0.9
105.06375	0.8
105.07018	9.2
107.04955	4.4
107.08578	3.5
109.02852	0.8
109.06515	2.4
109.10149	8.4
111.04406	1.1
111.08060	4.0
111.11658	0.8
115.05439	0.7
117.06956	1.2
119.04938	0.7
119.08567	6.9
121.10155	4.6
123.04369	1.5
123.08022	1.0
123.11696	2.8
125.09528	0.6
127.03883	1.0
129.06981	7.2
131.08560	6.9
133.06439	2.2
133.10150	3.6
135.08037	0.8
137.05910	0.6
137.09586	1.2
137.13203	0.9
142.07729	1.6
145.04913	1.7
145.10060	1.2
147.04372	1.3
147.08003	2.3
147.11665	5.0
149.09618	3.7
151.14833	0.6
157.10106	7.6
163.06006	3.1
163.11136	1.2
165.12759	1.0
175.11166	7.2
193.12227	23.5
211.13278	1.6
235.13287	1.3
239.23686	1.6
249.14827	1.7
257.24734	1.9
259.13239	1.4
267.15894	100.0
268.16125	0.9
273.14865	1.9
301.14307	1.8
309.16998	2.2
313.27344	93.2
314.27615	1.5
319.15350	1.3
368.80786	0.5
370.08810	0.5
375.18005	0.7
405.71194	0.5
431.35388	0.6
505.38852	83.7
506.39151	2.2
523.39795	2.0
531.40912	0.5
547.39996	6.2
565.40894	1.0
589.41083	1.1
601.41229	2.3
613.41095	1.8
631.41846	2.8
649.42920	1.3
933.85217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.2
71.53487	0.3
73.23474	0.1
75.20272	0.1
79.05489	1.9
87.18557	0.1
87.93979	0.2
91.05464	1.1
92.06238	0.2
93.06986	0.1
95.04948	0.4
103.05455	1.6
104.06207	0.2
105.07021	9.9
106.07326	0.1
107.04945	0.6
107.36972	0.1
109.06499	0.3
115.05438	0.5
117.07000	0.3
118.04155	1.1
119.04948	0.2
120.05721	0.3
121.06497	0.5
122.03636	0.2
122.07264	0.5
123.08067	0.2
124.05164	0.3
131.04904	0.4
132.05685	0.4
133.06480	8.9
134.07225	0.4
135.04401	0.4
135.08035	1.0
137.05959	3.5
137.06757	0.1
137.07010	0.1
137.09613	0.2
143.98598	0.1
148.05144	0.5
149.06046	0.3
150.06750	3.5
151.07544	0.2
163.07510	0.2
165.09100	8.9
175.07475	0.2
178.06277	0.6
178.63249	0.1
193.08591	41.5
194.09045	1.3
201.05200	4.8
216.07555	100.0
217.07884	2.0
234.08488	0.9
235.54303	0.1
257.10223	1.6
275.09033	0.3
311.71399	0.2
392.20514	0.1
409.16187	24.3
410.16486	0.9
427.17432	0.2
450.18790	0.8
469.18298	9.1
470.18692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	14.1
69.03420	2.9
69.07063	6.9
70.45922	3.4
71.04349	0.8
71.04987	2.0
71.08630	16.9
71.40871	0.8
73.02934	1.5
78.68311	0.7
79.05489	11.0
81.03413	35.6
81.07050	21.7
83.04978	8.1
83.08134	1.2
83.08617	17.0
85.02898	20.0
85.06533	1.5
85.10183	8.8
87.09512	0.8
89.06022	1.3
91.03944	5.3
91.05473	14.8
93.07048	9.0
95.04961	15.3
95.08601	16.1
96.08998	0.9
97.02905	6.5
97.06527	2.2
97.10160	4.8
98.20812	0.7
105.07034	11.2
107.04936	4.2
107.08588	4.2
109.06509	1.6
109.10152	7.4
111.04422	1.6
111.08075	8.5
111.11657	1.3
113.05975	1.6
115.05445	1.1
117.06953	1.1
119.08573	8.4
121.10123	5.8
123.08054	1.5
123.11680	3.7
125.09600	1.0
127.03882	2.1
129.07013	6.3
131.08575	5.7
133.06487	1.6
133.10118	7.5
137.13229	1.1
142.07811	1.1
145.04976	1.8
147.08032	1.8
147.11667	10.5
149.09605	3.8
151.83974	0.9
157.10123	9.1
163.05992	1.8
163.11212	1.0
165.12779	1.4
175.11174	10.7
193.12245	27.8
211.13283	44.3
237.67200	0.8
267.15909	14.0
285.16949	61.0
313.16409	1.2
313.27280	1.3
341.30496	59.8
342.30557	2.0
447.79834	0.9
533.34503	1.1
533.42065	15.3
551.43060	100.0
552.43243	4.4
596.90009	0.9
728.53455	0.9
774.89343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.0
67.05503	17.5
69.03416	1.9
69.07082	8.6
71.01363	1.5
71.04971	1.5
71.08633	19.7
71.63465	1.6
71.63910	2.2
72.84824	1.1
73.02888	1.8
74.06071	1.3
79.05488	16.2
81.03419	18.7
81.07056	21.7
83.04987	9.9
83.08627	9.7
85.02905	10.1
85.06550	2.8
85.10175	10.9
87.04447	1.2
91.03946	5.1
91.05479	8.9
93.07044	19.9
95.04956	6.7
95.08604	19.2
97.02892	7.7
97.06508	7.3
97.10188	4.5
99.04462	1.9
105.07034	5.7
107.04935	15.6
107.08600	8.2
109.06503	6.9
109.10170	8.6
111.04437	19.7
111.08066	3.1
113.06000	1.6
117.07011	6.1
119.08588	6.4
121.06500	3.9
121.10158	7.4
123.08038	4.3
123.11699	2.7
125.05976	3.4
125.09631	1.8
127.03893	2.8
129.06995	2.9
131.08549	7.1
135.08028	1.8
135.11679	11.8
145.04906	2.0
145.06413	1.3
145.10139	13.3
147.08015	3.8
149.09604	2.2
153.12737	6.9
154.92223	1.4
155.08565	3.4
156.66591	1.3
163.11168	24.1
173.09618	6.4
181.12221	4.1
191.10690	10.5
209.11722	8.9
223.13251	16.1
227.12749	5.3
239.23372	1.7
241.14313	23.4
257.24915	1.7
264.31543	1.2
265.14395	9.9
283.15384	25.3
307.80399	1.5
313.27368	74.4
314.27658	2.5
315.18027	42.5
327.28662	2.1
379.22888	1.5
393.50409	1.4
436.80063	1.4
503.37430	10.2
521.38385	100.0
522.38452	3.1
530.31598	1.5
553.40973	64.4
554.41394	1.9
861.47504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	9.2
69.03445	1.5
69.07066	4.4
71.04976	2.1
71.08628	14.1
71.41605	1.2
73.02898	2.4
79.05491	8.7
81.03416	5.3
81.07051	13.1
82.56239	0.6
83.01331	4.6
83.04970	5.8
83.08163	0.8
83.08611	9.1
85.02893	10.3
85.10182	8.3
89.06001	0.7
91.03957	6.8
91.05481	6.0
93.07039	10.3
95.04965	3.7
95.08600	11.7
97.02885	6.2
97.06514	2.4
97.10173	5.3
97.76339	0.6
98.89069	0.6
99.04449	1.3
103.07605	0.8
103.28824	0.5
105.07032	5.0
107.04948	3.9
107.08591	7.5
109.06506	3.4
109.10159	6.0
111.04415	1.4
111.08071	1.3
111.11724	1.3
117.06981	4.4
119.08574	4.7
121.06487	2.1
121.10128	4.1
123.08098	4.6
123.11679	1.9
125.05948	1.1
127.03895	3.3
131.08556	2.2
133.10077	0.9
135.08018	0.8
135.11681	7.7
137.09604	0.9
137.13193	0.7
145.04953	3.0
145.10107	8.9
147.08092	1.1
149.09618	0.8
153.12749	1.8
155.08569	1.2
163.05992	3.5
163.09851	1.0
163.11179	14.5
173.09595	2.2
181.12212	2.6
191.10648	1.3
209.11766	3.9
227.12704	2.2
229.14433	0.7
267.26715	0.9
283.15381	100.0
284.15726	1.2
285.27875	1.4
293.34482	0.7
341.30487	72.1
342.30890	1.5
405.97723	0.6
547.33392	0.7
549.41461	53.9
550.41589	1.1
872.84796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.3
71.64648	0.4
77.03892	0.4
79.05487	4.8
81.07052	0.2
89.36846	0.3
91.05068	0.2
91.05475	2.8
92.06233	0.5
93.03368	0.3
93.07018	0.3
94.04188	0.3
95.04947	0.9
103.05463	4.0
104.06248	0.5
105.07027	21.3
106.07322	0.3
107.04948	1.8
107.08556	0.4
109.06494	0.9
110.73656	0.2
115.05430	1.3
117.06999	0.7
118.04144	2.8
119.04916	0.7
120.05714	1.0
121.06493	1.2
122.03622	0.5
122.07301	1.5
124.05182	0.7
131.04939	0.5
132.05679	0.9
133.06488	17.9
134.07236	0.7
135.04376	1.3
135.08047	2.6
137.05975	7.0
147.04375	0.3
148.05161	1.3
149.05972	0.5
150.06757	8.2
159.00853	0.2
161.06001	0.7
165.09106	15.9
175.07524	0.3
178.06279	1.2
193.08598	100.0
194.08984	2.9
195.73271	0.3
307.07071	0.3
355.15497	1.5
387.17950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87627	0.4
67.05493	0.5
69.52203	2.9
69.52605	0.6
72.53704	0.4
79.05492	3.1
81.07016	0.4
83.67449	0.4
91.05482	1.9
95.04943	0.8
103.05448	2.9
103.95803	0.4
104.06264	0.7
105.07021	12.9
107.04937	1.4
109.02863	0.6
109.06501	0.5
115.05466	0.7
118.04139	4.0
119.04929	0.5
120.05685	0.7
121.06487	1.5
122.07243	0.8
124.05221	2.0
124.59488	0.4
133.06485	14.7
134.07239	0.9
135.04431	0.5
135.08055	2.0
137.05968	3.6
149.05968	0.5
150.06755	5.9
151.07474	0.8
161.05971	1.1
165.09102	12.0
178.06186	0.7
184.86137	0.5
193.08595	100.0
194.09105	3.3
202.94313	0.4
209.08028	0.6
387.17990	1.4
473.88535	0.4
667.10046	0.5
685.72595	0.4
786.37537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05497	44.9
68.05807	0.7
69.03420	5.7
69.07062	11.2
71.01334	0.9
71.04983	4.1
71.11565	0.6
71.14639	1.9
73.02921	4.3
77.03913	0.9
79.05482	35.5
81.03409	54.8
81.07044	48.6
82.03728	0.7
83.04974	12.3
83.08608	21.6
85.02892	33.1
85.06521	1.9
87.04454	0.7
89.64317	0.7
91.03947	9.3
91.04456	0.9
91.04875	1.0
91.05468	35.1
93.07029	39.1
95.04346	1.2
95.04958	23.5
95.08592	28.3
96.08923	0.7
97.02874	9.1
97.06519	5.3
97.10172	4.3
97.21431	0.7
97.45635	0.7
99.04433	1.6
99.08070	1.1
105.07018	26.1
107.04943	6.0
107.08577	17.9
107.15294	0.7
109.02821	0.7
109.06509	4.8
109.10136	12.4
111.04434	2.1
111.08063	10.0
113.05977	1.9
115.05418	1.6
117.06991	4.7
119.08559	20.7
121.06502	1.4
121.10123	17.4
123.08059	2.4
123.11684	3.8
125.09589	2.4
127.03931	3.1
129.06981	9.1
131.08549	14.2
133.06497	2.6
133.10121	14.7
135.08057	1.0
135.11708	7.5
137.09599	1.8
137.13234	1.3
142.07774	2.3
142.54823	0.6
143.08553	1.1
145.04948	2.9
145.10106	6.1
147.08063	2.5
147.11671	15.0
149.09602	5.9
149.13278	4.6
151.07611	0.9
151.11182	0.9
157.10117	13.3
159.11658	3.9
161.13303	3.0
163.06001	3.0
163.11224	1.6
163.14796	1.5
165.12772	2.4
171.11697	1.4
173.13292	2.4
175.11165	12.3
175.14787	1.4
177.16327	0.8
187.14807	2.0
189.11264	1.5
193.12219	36.8
199.14949	0.7
201.16461	0.8
211.13269	66.2
212.13635	1.7
227.12798	1.1
229.14212	0.7
233.09001	0.7
243.21080	3.0
261.22147	9.9
267.15851	13.8
267.18524	1.1
283.15329	0.9
285.16943	71.6
286.17236	1.4
301.25186	0.8
317.24774	2.6
335.25775	61.0
336.26227	3.0
435.32605	2.8
453.33728	2.3
471.34387	1.1
527.37219	15.2
528.37811	0.9
545.38318	100.0
546.38593	4.7
555.18982	0.7
563.39392	1.0
806.82056	1.0
904.52368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.1
67.05502	35.0
67.05841	1.1
69.03423	3.5
69.07061	9.6
71.04984	3.2
71.98790	0.4
73.02918	2.2
78.04656	0.5
79.05488	29.7
81.03413	33.0
81.07053	36.2
82.03721	0.5
82.07347	0.5
83.04973	7.7
83.08617	13.5
85.02901	18.8
85.06480	1.4
87.04420	0.4
91.03954	4.6
91.05476	25.5
93.07040	29.4
95.04967	14.4
95.08601	24.3
97.02888	6.1
97.06523	2.8
97.10183	3.7
99.04424	0.6
99.08025	1.3
102.44490	0.5
105.04483	0.5
105.07025	18.5
105.07724	0.6
107.04948	3.4
107.08591	15.4
109.02848	0.5
109.06518	3.2
109.10148	10.6
111.04376	1.6
111.08073	5.6
113.05953	1.5
115.03887	0.7
115.05437	0.9
117.06982	3.0
119.08576	16.8
121.06521	0.5
121.10136	14.5
123.08046	2.7
123.11695	3.5
125.09571	1.4
127.03851	1.6
127.07566	0.5
128.06189	0.7
129.06180	0.4
129.07004	5.5
131.08565	10.0
133.06438	1.5
133.10118	10.2
134.26483	0.5
135.10852	0.5
135.11687	6.7
137.09564	1.1
137.13188	1.1
139.11125	0.6
142.07706	1.3
143.08566	1.1
145.04910	1.7
145.10109	4.7
147.08054	2.3
147.11691	10.3
149.09596	3.8
149.13242	3.0
151.11157	0.7
157.08952	0.6
157.10127	8.1
159.11713	3.2
160.14969	0.5
161.13188	2.1
163.06050	2.3
163.11165	1.2
163.14798	1.2
165.12692	1.7
171.11592	0.7
173.13248	2.5
175.11165	7.8
175.14772	1.4
181.10060	0.5
187.14748	1.5
188.04680	0.4
189.11237	0.9
193.12238	23.9
201.16261	0.7
211.13275	37.3
227.12700	0.7
243.21059	2.3
261.22144	8.8
267.15878	9.3
285.16943	42.0
301.25223	0.8
317.24719	3.0
335.25772	66.6
336.26132	1.4
392.39032	0.5
405.89032	0.6
417.31909	0.5
435.32773	2.3
453.33517	2.3
461.29117	0.6
471.34903	1.0
527.31042	0.4
527.37323	12.7
540.44159	0.5
545.38348	100.0
546.38617	3.1
563.39642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	26.0
69.03390	2.2
69.07064	61.7
69.80550	10.5
71.04974	3.8
71.08625	4.2
71.49274	2.0
79.05486	25.8
81.03400	5.9
81.06582	3.0
81.07054	49.4
83.04975	6.8
83.08608	10.0
85.06551	20.7
91.05478	41.6
93.07038	78.6
95.04967	9.5
95.08603	58.6
95.09198	1.4
97.06516	6.8
97.10135	2.0
99.08083	4.4
105.04507	2.5
105.07027	94.6
107.08588	49.9
109.06490	8.8
109.10151	20.8
109.10833	2.9
110.44123	1.8
111.08044	3.7
115.05464	4.1
117.07012	18.1
119.04934	2.2
119.08573	70.1
121.06518	12.3
121.10138	31.3
123.08062	4.6
123.11681	8.1
123.93241	1.9
125.05977	6.2
125.09605	2.8
128.06213	6.3
129.06992	13.7
130.07767	2.6
131.08560	39.2
133.06483	7.3
133.10127	40.2
135.08037	7.9
135.11691	22.5
136.06180	49.5
137.05959	8.5
137.09607	4.2
137.13258	3.3
139.07539	32.5
139.11179	3.3
141.06958	7.5
142.07773	19.0
143.08546	32.5
144.09297	6.8
145.06488	2.1
145.10117	41.3
147.08055	5.2
147.11685	24.1
149.05975	3.8
149.09581	5.5
149.13228	8.6
151.07480	11.3
153.07056	2.5
154.07780	4.0
155.08559	23.8
156.09366	10.7
157.10120	62.5
158.10835	6.1
159.08069	4.2
159.11693	79.7
161.05960	3.3
161.09625	4.4
161.13251	44.2
163.11142	5.1
163.14819	6.6
165.07001	5.1
167.08513	7.1
168.09372	4.1
169.10133	29.6
170.10838	3.5
171.07990	2.6
171.11682	28.1
173.05956	2.5
173.09599	5.3
173.13264	16.7
175.07571	4.0
175.11185	36.6
175.14819	5.9
177.09027	2.5
177.12694	13.9
179.08568	6.2
179.14326	3.2
180.09288	6.5
181.10078	16.1
182.10957	5.8
183.11707	28.9
184.12483	2.5
185.09593	3.1
185.13269	16.3
187.07521	3.8
187.11186	6.3
187.14783	10.7
189.09109	2.4
189.12749	11.1
191.10600	2.6
191.14273	2.8
193.10275	9.0
193.11874	2.3
194.10822	5.7
195.11685	29.8
196.12393	7.4
197.09604	2.6
197.13284	20.7
199.07497	3.1
199.14804	8.8
201.12689	2.8
201.16391	4.7
203.14195	3.9
205.10347	2.1
205.12260	6.6
207.11684	10.4
207.13776	9.7
208.12498	6.0
209.13271	30.7
210.13945	4.6
211.11296	2.8
211.14784	32.3
212.15526	2.9
213.12715	6.0
213.16331	8.3
215.14391	3.7
219.11710	3.0
220.12495	3.1
221.13295	10.1
222.14059	2.0
223.11267	3.4
223.14795	28.5
225.12775	4.5
225.16325	9.1
227.14296	5.2
227.17952	5.9
229.12283	12.5
229.15771	6.5
231.13806	4.3
233.13304	3.6
233.15485	2.3
235.14833	5.6
237.12637	3.0
237.16504	13.2
237.18538	3.2
239.10762	2.1
239.14314	5.0
239.17929	6.9
241.12202	8.0
241.15866	5.9
241.19423	5.0
243.13834	10.5
249.16432	10.4
250.17204	2.6
251.17949	28.1
252.18355	2.8
253.15842	2.7
253.19458	6.3
255.13734	5.0
255.17480	4.9
257.15292	8.5
261.16550	3.1
263.17957	11.4
265.19482	3.6
267.17508	5.3
267.20615	1.9
269.15390	5.1
269.19000	46.2
270.19720	6.1
271.16806	2.4
271.20590	2.8
277.19540	4.4
279.17435	8.2
279.21069	25.1
281.19000	23.0
281.22192	3.5
283.15274	4.1
285.18600	4.2
287.19937	4.2
295.20419	2.5
295.24124	3.8
297.18503	62.5
299.20093	4.0
307.20526	4.9
309.18481	10.7
309.21600	1.9
309.25684	5.1
313.27240	3.8
315.19525	36.2
319.24234	26.3
321.25732	2.5
325.21606	15.5
327.19568	5.7
337.25226	86.7
339.26691	6.4
347.23621	8.2
355.26303	11.6
365.24728	100.0
366.24832	3.7
375.21558	16.8
383.25842	23.3
392.60287	1.8
443.27753	5.5
496.26016	2.1
543.36755	2.4
658.44977	3.0
676.47211	13.5
902.46796	4.8
903.47980	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	902.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.6
67.05506	55.9
68.05783	1.2
69.03418	4.5
69.07066	18.4
69.93825	8.3
71.01369	1.7
71.04987	4.0
71.08625	1.4
73.02913	6.5
77.03909	2.0
79.05493	50.0
81.03417	14.5
81.07056	61.4
83.01335	9.6
83.04984	13.0
83.08621	17.5
85.02898	22.2
85.06543	5.1
85.10181	1.6
91.03950	15.0
91.05482	32.0
93.07042	60.5
95.04971	10.6
95.08606	49.0
95.09238	1.6
97.02890	14.5
97.06528	5.6
97.10186	5.5
98.21435	1.5
99.04458	4.3
103.05455	2.1
105.07028	29.6
105.07688	2.7
107.04943	8.2
107.08597	37.2
109.02852	1.5
109.06503	8.1
109.10148	19.2
111.04429	3.3
111.08048	2.9
117.07031	13.5
119.08578	24.0
121.06513	6.2
121.10146	28.1
123.08094	9.0
123.11691	5.9
125.05920	1.5
125.09632	4.2
127.03931	4.1
128.06152	1.4
129.07010	4.9
130.07750	2.0
131.08569	18.6
133.10123	15.6
135.08066	3.8
135.11700	22.0
136.06207	3.9
137.09647	2.9
137.13321	1.6
139.07578	2.9
141.06946	1.6
143.08533	6.7
144.09442	1.5
145.04945	7.0
145.06534	1.8
145.10121	27.8
147.08040	3.2
147.11705	12.4
149.09624	2.8
149.13287	9.6
153.12750	3.3
155.08572	5.8
157.10114	9.3
159.11688	17.1
161.09656	1.7
161.13258	10.0
163.06026	5.5
163.07434	1.2
163.11172	20.5
163.14835	4.9
165.09129	1.4
168.11369	1.3
169.10159	3.4
171.11711	5.6
173.09641	4.6
173.13222	7.5
175.11159	7.7
175.14854	3.2
177.12733	2.9
179.14363	2.3
181.10075	2.0
181.12215	2.0
183.11717	5.3
185.13304	3.6
187.11186	2.9
187.14857	4.6
189.11246	2.8
189.12784	6.0
191.10626	3.2
191.14307	3.7
193.12260	3.8
195.11705	4.9
197.13205	3.5
199.14818	2.9
209.11726	5.8
209.13330	3.6
211.14871	5.1
215.14412	1.6
221.13367	2.0
223.14758	2.6
225.12740	1.5
225.16406	2.0
227.12737	12.3
229.12148	2.3
229.16031	1.7
239.17793	2.5
241.19478	3.1
243.21123	8.4
251.18027	5.5
259.20737	2.1
261.22177	20.0
265.19492	1.5
267.15961	4.1
268.16324	2.7
269.18973	8.8
283.15396	100.0
285.18460	1.4
287.20148	1.5
297.18533	4.1
299.23715	4.6
313.27368	3.2
314.27640	3.0
315.19580	4.5
317.24689	5.3
319.24243	4.1
333.24207	2.5
335.25803	95.0
336.26129	1.9
337.25208	4.7
339.26663	2.0
347.23532	2.8
365.24765	9.1
369.74301	1.5
375.21509	1.9
383.25723	4.6
387.56146	1.4
433.31189	2.1
440.52371	1.7
443.27774	5.5
451.32098	2.9
469.33197	3.7
506.39542	1.9
525.35925	7.5
543.36835	94.1
544.36884	3.3
561.37708	4.6
671.71289	1.7
813.49182	1.7
938.25330	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	900.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02357	0.2
69.03424	0.9
69.12198	0.1
70.06582	0.2
71.01307	0.2
71.04992	4.0
71.64878	0.2
73.02953	0.1
75.04522	0.1
79.05479	0.4
81.03413	0.6
83.04971	0.5
85.02901	4.7
89.03915	2.1
91.05465	0.6
95.04976	0.2
97.02891	3.7
97.06529	0.1
99.04440	0.4
107.04953	0.9
109.02885	0.3
111.04433	0.6
117.03386	2.8
119.04956	0.2
127.03917	0.6
129.05478	1.1
135.04413	9.0
137.05972	4.3
137.07028	0.2
145.02838	7.9
145.08647	0.2
147.04411	0.2
147.06529	0.4
161.06009	0.2
163.03899	100.0
164.04233	0.8
169.10139	0.1
181.04947	1.8
189.09149	0.3
193.08542	0.9
197.09604	0.4
211.09581	0.2
215.10690	1.0
233.11713	1.5
243.10046	0.1
251.12823	0.4
273.07370	0.2
291.08539	0.2
307.08029	0.8
309.09747	0.6
325.09171	24.0
326.09448	0.3
343.15640	0.2
379.17297	0.3
471.14520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.4
67.05502	42.8
67.45408	0.7
69.03417	1.1
69.07066	9.2
71.04984	2.2
71.08610	0.7
71.35660	0.5
73.02920	1.2
73.06554	1.1
77.03914	0.8
79.05489	51.2
80.58754	0.5
81.03421	4.3
81.07052	38.5
83.04977	7.3
83.08623	5.3
85.02898	4.3
85.06527	2.7
91.03960	3.0
91.04886	1.1
91.05476	35.1
93.07038	48.0
94.07369	0.7
95.04961	12.3
95.08601	27.2
97.02886	3.0
97.06518	3.1
97.10172	3.8
98.20744	0.9
99.08086	1.0
105.04533	1.4
105.07024	24.5
107.04966	3.7
107.07861	1.1
107.08588	17.6
109.06509	4.3
109.08810	0.6
109.10149	8.7
111.08058	1.0
115.05441	1.1
117.07007	7.1
119.08572	16.3
121.06516	2.0
121.10133	9.7
123.08063	3.8
123.11721	2.2
125.09621	0.7
127.03972	0.6
127.07574	0.7
128.06203	1.3
129.07004	9.7
131.08557	5.1
133.06531	0.6
133.10107	8.5
135.08058	0.7
135.11690	6.0
137.09608	0.8
143.08588	4.8
145.04950	1.3
145.06439	0.6
145.10123	7.9
147.08034	1.4
147.11684	22.6
149.13254	2.6
156.09285	0.6
157.10136	0.7
159.11719	2.1
161.09654	1.8
161.13251	8.0
163.06009	1.1
163.11154	0.7
163.14771	1.3
171.11688	14.9
173.13272	1.8
189.12756	6.3
207.13783	18.5
243.21150	1.8
249.74637	0.7
261.22208	4.8
279.16003	2.7
281.17462	59.8
282.17816	0.8
301.16589	0.9
313.27478	1.1
314.27814	0.7
317.24838	1.2
335.25793	41.6
336.26215	0.7
380.88660	0.6
449.34326	0.8
523.38324	0.9
541.38892	100.0
542.39453	3.4
559.39935	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	898.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	1.8
67.05499	29.7
69.03407	4.2
69.07070	12.1
70.84096	4.3
71.05000	2.4
71.08278	1.6
71.08629	24.4
73.02907	4.5
75.71856	1.1
79.05495	19.3
81.03426	8.9
81.06629	2.0
81.07056	25.5
82.04208	1.6
83.04982	9.7
83.08622	12.7
85.02898	16.4
85.06530	1.7
85.10171	14.6
89.06017	2.3
91.03950	10.3
91.05477	15.7
93.07043	19.0
95.04964	10.8
95.08603	26.6
97.02899	12.3
97.06536	6.5
97.10151	9.5
98.07285	2.1
99.04448	2.0
101.42972	1.2
103.35753	1.5
105.07005	4.7
107.04940	8.4
107.08585	12.3
109.02859	1.7
109.06492	1.9
109.10149	13.4
111.04444	9.2
111.08064	2.3
111.11721	1.8
116.04701	4.1
116.08581	1.5
117.07027	6.8
119.08576	6.8
121.06455	2.8
121.10142	7.8
123.08025	2.7
123.11687	5.4
125.09660	6.6
126.81895	1.2
127.03884	4.0
127.94888	1.2
129.05489	10.3
129.06961	2.4
131.08537	4.7
133.10126	3.1
135.08057	1.4
135.11702	8.5
137.09557	1.4
137.13181	1.2
143.07034	2.4
143.08534	1.6
145.04959	3.4
145.06427	1.5
145.10107	10.8
147.08075	3.0
147.11647	2.6
149.09584	3.1
153.12785	1.9
155.08565	1.5
157.08575	4.4
157.10089	1.3
163.05986	4.1
163.11194	9.6
165.09096	1.3
171.06551	1.4
171.10118	1.4
173.09627	5.4
181.12227	2.0
189.11287	2.5
191.10634	6.4
193.12190	1.5
200.13954	2.0
209.11725	17.5
227.12637	9.6
239.23680	3.5
255.15935	4.6
257.24741	2.4
267.15912	3.1
283.15393	100.0
284.15833	2.6
301.16431	34.3
313.27353	99.5
314.27640	2.9
333.77917	1.5
347.05643	1.5
367.28342	3.1
379.57639	1.2
395.31769	1.5
505.38400	3.7
521.38361	46.6
522.38770	4.2
539.39380	86.3
540.39789	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25633	0.8
67.05166	1.7
67.05503	25.5
69.03429	3.0
69.07069	11.7
70.82330	1.0
70.82668	2.0
71.01357	2.0
71.04987	3.5
71.08630	26.8
73.02911	3.8
76.77282	0.8
79.05492	16.2
81.03416	18.0
81.07054	27.8
83.01328	1.7
83.04984	16.3
83.08615	14.3
83.85773	0.9
85.02897	19.4
85.06532	1.8
85.10179	14.1
86.10490	0.9
89.06010	2.2
91.03955	8.6
91.05479	12.6
93.07043	24.2
93.07626	1.7
95.04953	6.9
95.08603	24.9
96.08932	1.8
97.02879	13.4
97.06538	6.0
97.10168	6.8
99.00809	2.1
99.04434	4.2
99.08113	1.6
105.07026	7.3
107.04942	11.5
107.08597	14.8
109.02877	2.0
109.06529	3.4
109.10149	15.2
111.04438	15.4
111.08070	5.5
111.11733	1.7
115.03952	0.9
115.05468	1.0
115.78616	0.9
117.06989	5.8
119.08582	8.6
121.06509	4.1
121.10152	9.1
123.04424	1.3
123.08065	5.1
123.11720	4.6
125.05991	1.4
125.09597	1.9
127.03907	3.7
129.06987	2.7
131.04980	1.0
131.08568	5.4
133.10124	5.8
134.10417	1.3
135.08070	2.5
135.11690	16.4
137.09647	1.2
137.13200	1.0
143.08606	1.3
145.04961	2.9
145.06540	1.3
145.10121	14.6
147.08044	3.2
149.09612	2.8
151.11108	1.4
153.12743	15.5
155.08456	1.6
161.09673	1.9
163.06024	3.5
163.11179	31.6
173.09627	6.6
179.10674	1.4
181.12244	13.3
189.09074	1.3
191.10680	15.2
209.11729	24.1
215.84224	0.9
227.12782	21.6
239.23730	3.1
257.24759	2.5
265.14264	9.2
283.15405	62.8
299.14914	10.7
300.15237	8.5
301.16437	63.2
302.16785	1.3
313.27353	91.4
314.27753	9.0
315.28030	4.0
459.06552	1.1
503.37448	6.4
521.38367	68.2
522.38269	3.5
537.37708	3.3
538.38330	4.5
539.39349	100.0
540.39587	3.6
715.46722	1.0
780.95081	1.3
923.85358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.9
67.05506	16.2
69.03425	3.7
69.07074	8.5
69.33726	0.4
70.53728	0.4
71.01324	0.7
71.04961	0.8
71.08630	14.0
71.25677	0.8
72.29353	0.4
73.02916	5.3
73.06536	0.5
78.48013	0.5
79.05495	9.4
80.06247	0.5
81.02990	0.6
81.03416	8.0
81.07056	13.5
82.04197	3.2
83.01290	0.4
83.04552	0.5
83.04977	6.3
83.08624	8.8
85.02905	9.7
85.06526	0.8
85.09719	0.5
85.10181	7.4
87.04453	0.6
89.05990	1.6
91.03956	5.9
91.04978	0.5
91.05479	7.4
93.07048	5.1
94.04157	0.4
95.04974	6.1
95.08608	13.6
96.05721	0.5
97.02291	0.6
97.02886	6.7
97.06532	3.4
97.10177	8.4
98.07328	2.5
99.04441	0.9
101.05988	0.7
103.07583	0.6
105.07021	3.6
107.04960	2.4
107.08595	5.3
109.02865	0.6
109.06488	1.6
109.09486	0.4
109.10156	7.5
111.04409	1.3
111.05235	0.5
111.08082	2.2
111.11689	0.7
115.03884	1.3
115.05476	0.4
115.07535	0.5
116.03950	0.7
116.04710	8.2
117.06976	1.4
117.09049	0.4
119.08589	3.1
120.09355	0.8
121.06498	0.9
121.10143	2.2
123.08073	2.4
123.11672	1.7
125.09637	9.2
127.03925	2.2
127.11197	0.6
128.06212	0.6
129.05476	21.5
129.06995	1.9
131.08578	2.7
133.06461	0.6
133.10146	2.8
135.08029	1.0
135.11702	2.1
136.08803	0.7
137.09601	1.0
137.13173	0.8
139.07495	0.6
142.07758	0.6
143.06068	0.4
143.07042	6.0
145.04977	2.2
145.10115	1.4
147.08023	1.0
147.11736	2.0
149.09659	0.7
150.21530	0.4
153.09123	0.8
153.12677	1.1
157.08620	10.5
157.10059	1.6
158.05614	0.7
163.06026	2.8
163.07173	0.5
163.11172	2.1
165.16434	0.5
167.07066	0.4
171.06538	1.5
171.10165	3.1
173.09584	0.8
173.11694	0.5
175.11174	1.7
181.12218	1.2
185.11732	1.1
189.11205	5.9
191.10631	1.3
193.12260	2.6
199.13277	2.7
200.14066	2.1
209.11765	2.2
209.52831	0.4
210.12569	0.9
211.13281	1.0
217.14308	0.7
221.22505	0.5
227.12790	10.6
228.13516	0.5
229.14362	0.9
239.23741	1.9
255.15900	1.6
257.24805	1.2
265.14316	0.7
267.15927	4.0
283.15350	4.9
284.16122	1.1
301.16458	100.0
302.16766	1.8
311.22275	1.1
313.27365	67.8
314.27734	1.9
367.28558	2.6
395.31616	1.6
418.11002	0.5
438.36975	1.5
452.49814	0.5
455.37271	0.5
467.37347	1.9
505.38959	4.2
521.38501	3.1
522.39276	1.8
539.39441	71.0
540.39844	2.7
581.98651	0.5
901.77612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39365	0.1
69.03420	0.8
70.06568	0.1
70.71799	0.1
71.08505	0.2
73.02913	2.3
77.62456	0.1
85.02432	0.1
85.02902	2.0
97.02879	1.0
107.04955	0.2
109.02853	0.2
115.03889	0.7
121.02843	0.5
127.03892	0.5
130.27895	0.1
133.04944	0.5
145.04944	0.7
151.03880	0.2
152.06133	0.1
163.03857	0.2
163.06046	0.2
165.05580	0.1
165.06949	0.2
167.03384	0.8
178.07744	2.2
179.03352	0.4
189.06963	1.1
190.07768	1.0
191.08537	0.9
192.09264	0.4
193.10136	0.2
194.91953	0.1
195.07980	0.2
196.26630	0.1
197.04558	0.1
202.07709	0.7
203.08530	0.3
205.06409	0.7
206.07262	3.8
207.07782	0.2
208.08803	1.5
216.05598	0.2
217.06441	0.6
218.07228	2.0
219.08012	0.8
220.08797	0.5
221.09605	21.4
222.10013	0.5
223.11194	1.6
227.07140	0.3
230.07385	0.2
231.08220	0.2
233.09590	1.6
234.06760	4.6
235.07434	0.8
236.08292	1.7
237.08934	0.2
241.07170	0.2
245.08165	0.1
246.06685	0.4
247.07466	0.6
248.08195	0.9
249.09105	17.2
250.09555	0.4
251.07042	0.2
251.10626	1.1
252.07748	0.1
258.05261	1.1
259.08676	0.2
261.09171	0.7
262.09802	0.6
263.07025	0.3
264.07834	1.9
272.06836	0.2
273.07480	0.2
278.09482	0.3
279.10147	100.0
280.10535	2.2
282.14923	0.1
286.04691	1.6
296.12805	31.7
297.13101	0.6
301.07047	68.7
302.07489	1.0
343.07736	0.2
433.11328	0.2
463.12231	1.1
537.33887	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	896.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.6
67.05504	10.7
69.03423	2.8
69.07068	5.0
71.01344	0.7
71.04967	0.9
71.08633	15.1
71.63358	0.6
71.63741	0.5
73.02911	3.0
79.05495	4.7
81.03416	2.8
81.07054	16.3
83.01264	0.5
83.04990	2.1
83.08615	12.4
85.02451	0.7
85.02907	10.1
85.06499	1.5
85.10179	8.8
89.05991	1.0
91.03962	6.1
91.05482	10.4
93.07050	8.0
95.04984	2.5
95.08604	14.4
97.02894	7.4
97.06491	1.5
97.10159	3.3
99.00208	0.8
99.00810	10.7
99.04418	0.9
99.11715	0.6
101.02358	0.4
103.05446	1.0
103.07568	0.9
105.07028	8.2
105.23965	0.4
107.04941	3.5
107.08604	4.2
109.02879	7.8
109.06486	1.7
109.10158	7.5
111.04418	0.8
111.08044	2.2
111.11635	0.4
115.03925	2.4
117.06986	1.4
119.04913	0.6
119.08578	4.4
121.06495	4.5
121.10120	0.5
123.04399	1.0
123.08028	1.0
123.11706	3.6
127.03921	4.4
128.06178	1.2
131.08504	1.0
133.06482	1.1
133.10130	22.5
135.08057	0.8
135.11662	1.1
137.05936	0.8
137.09628	0.6
137.13248	0.9
138.36533	0.5
139.07532	2.1
143.08528	3.1
145.04967	2.5
146.07175	0.5
147.08046	0.8
151.11183	6.9
151.14799	0.6
161.09615	13.2
163.06015	2.9
163.11220	0.6
165.09076	1.0
171.08009	3.0
179.10666	6.6
184.07347	1.5
189.09119	6.0
197.11681	1.6
207.10196	2.3
225.11191	7.3
239.23676	1.2
243.12294	1.9
257.24808	1.2
267.15680	0.5
268.70410	0.4
281.13840	4.5
299.14886	100.0
300.15155	1.3
308.15512	0.5
313.27359	80.1
314.27606	1.2
537.37872	54.6
538.38354	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	886.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.2
67.05501	18.8
69.03419	3.9
69.07069	4.1
70.06587	1.0
70.76530	1.1
70.76868	1.4
71.01372	0.7
71.04985	4.2
72.08149	0.5
73.02917	1.1
77.87763	0.5
79.05490	18.6
81.03415	78.0
81.07051	18.3
82.03752	0.8
83.04976	8.3
83.08611	18.8
84.08926	0.7
85.02896	13.0
85.06543	1.9
87.04486	0.8
91.03938	1.8
91.04893	0.9
91.05475	22.5
93.07036	12.7
95.04961	26.5
95.08611	6.8
97.02885	5.2
97.06516	3.7
97.10168	6.2
99.08093	0.8
103.05447	0.6
105.07022	17.4
107.04951	7.2
107.08591	7.6
109.06507	4.5
109.10143	4.2
111.04446	1.9
111.08067	7.3
113.05958	1.1
115.05447	1.8
117.07018	3.7
119.04918	1.1
119.08575	18.2
121.06526	4.7
121.10140	8.4
123.04401	1.4
123.08057	3.4
123.11706	1.1
125.09620	4.7
127.03915	1.4
128.06226	0.7
129.05447	0.6
129.07011	12.1
131.04933	1.5
131.08562	13.1
133.06474	4.4
133.10123	8.6
135.04312	0.7
135.08014	1.8
135.11705	1.4
137.05983	1.2
137.09610	2.0
141.07004	0.9
142.07742	2.7
143.08614	1.4
145.04913	0.8
145.05461	0.6
145.06476	5.6
145.10158	2.8
147.04428	0.8
147.08072	4.5
147.11684	11.2
149.05998	0.7
149.09612	6.5
151.11186	0.7
155.08569	1.3
157.06503	1.3
157.10133	14.1
159.08101	0.6
159.11696	1.2
161.05975	1.0
163.03839	1.7
163.06050	1.0
163.07469	0.6
163.11154	2.1
165.12779	2.9
167.07062	0.9
167.08528	0.8
169.10161	1.4
171.08076	1.8
171.11526	0.8
173.09674	0.9
175.11172	11.2
181.10120	0.9
183.08182	0.7
185.09656	1.1
187.11169	0.6
189.11214	1.5
193.12233	34.7
195.08057	0.8
195.11682	1.3
197.13164	0.9
203.14200	0.7
205.12108	1.0
209.13512	0.6
211.13258	12.9
213.12755	1.5
215.14330	0.8
223.13133	0.7
227.12686	1.7
233.15358	1.1
237.12643	1.0
249.14880	2.0
255.13754	2.7
267.15900	100.0
268.16290	1.2
273.14859	5.8
283.15451	0.7
285.16922	12.1
301.14087	1.0
309.16830	0.8
309.97345	0.5
326.09897	0.7
339.23260	1.0
341.21024	1.9
349.21597	3.0
357.24097	0.8
359.21613	0.7
367.22595	9.2
385.23715	11.2
403.24823	3.4
415.24731	1.0
420.10257	0.7
433.25800	15.3
441.26361	7.4
459.27402	75.4
460.27621	1.7
477.28476	45.8
478.28479	1.2
501.28326	2.3
509.31058	0.7
519.29218	2.6
543.29346	0.9
566.64294	0.6
567.29150	1.0
573.30414	1.0
585.30334	1.8
603.31824	1.1
621.32025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	3.6
69.03423	3.2
69.07062	1.5
69.26183	0.5
71.01373	0.6
71.08627	1.8
71.63425	1.0
72.55727	0.6
73.02905	3.7
76.28425	0.7
79.05505	1.6
81.03394	3.3
81.07042	2.6
83.04991	0.9
83.08616	1.5
85.02898	6.2
87.82694	0.6
91.03948	3.9
91.04971	0.5
91.05499	2.3
93.07041	1.7
93.69971	0.5
95.04974	1.6
95.08636	2.3
97.02888	5.7
97.06571	0.6
97.10171	1.0
98.54079	0.6
99.04452	1.2
101.02385	2.1
103.03925	0.6
105.07056	1.6
107.08575	1.3
108.94518	0.6
109.02914	1.0
109.10159	2.0
115.03963	0.6
119.04866	0.6
119.08611	1.6
121.10175	0.9
123.11736	0.8
127.03943	2.1
131.08607	0.8
133.10146	1.0
143.17720	0.5
145.04852	0.6
147.11716	0.9
149.09584	0.6
157.10129	0.9
185.04253	1.3
192.17770	0.5
193.12300	1.0
243.08348	2.5
251.12627	1.0
253.14455	1.4
313.27444	1.5
347.09616	2.3
363.09402	0.6
365.10681	1.1
370.77917	0.5
405.13702	5.8
469.20425	7.6
497.30719	5.6
631.25610	7.8
659.35986	4.1
661.49017	1.8
725.44519	2.2
887.49652	100.0
888.49725	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	885.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81723	3.4
67.05511	18.9
69.07063	50.2
70.28012	15.1
71.08634	4.7
79.05474	20.2
81.07058	41.7
83.08601	12.1
85.06538	57.9
88.13257	3.1
91.05463	30.9
93.07040	65.4
95.04956	6.9
95.08038	4.6
95.08601	61.1
95.09158	5.9
105.07027	85.1
107.07934	5.1
107.08594	53.2
109.10149	21.7
111.08070	4.8
115.05472	4.0
117.07005	12.5
119.08574	48.4
121.06528	7.1
121.10139	32.9
123.11708	7.8
129.06985	9.2
130.07802	4.2
131.08569	42.8
133.10129	67.2
135.08043	6.8
135.11682	36.3
137.13274	3.8
139.07509	24.1
141.06993	8.4
142.07787	23.8
143.08588	22.0
144.09366	6.0
145.10112	51.2
147.07956	4.6
147.11696	20.1
149.06128	3.6
149.13245	6.4
151.07472	5.2
153.09052	6.4
155.08556	14.3
156.09319	5.9
157.10114	61.8
158.10849	6.8
159.11681	67.3
161.13245	73.3
162.28542	3.3
163.11179	13.0
163.14795	27.0
167.08562	6.3
169.10185	23.9
171.11630	25.9
173.09570	6.5
173.13242	13.9
175.11182	40.2
175.14806	12.1
177.12729	51.9
179.08571	6.8
179.14322	18.0
180.09390	4.9
181.10127	13.0
183.11676	29.4
185.13242	12.1
187.11162	6.6
187.14732	16.8
189.12766	31.9
189.16411	3.9
191.14308	16.3
193.10164	9.6
194.10922	5.3
195.11627	25.9
196.12434	6.0
197.13254	29.0
199.14798	13.7
201.12790	7.7
201.16328	9.7
205.12134	5.4
207.11630	10.8
207.13806	32.7
209.13269	29.9
209.15254	8.0
211.14790	23.6
213.12769	5.3
213.16359	13.7
221.13319	18.1
222.13957	4.2
223.14810	27.3
224.15639	3.8
225.12859	4.7
225.16368	12.4
227.14264	4.1
227.17917	10.1
229.12202	8.7
229.15782	4.4
233.13159	4.4
234.14212	4.8
235.14871	8.8
237.16312	17.9
239.14288	4.4
239.17868	17.9
241.15854	6.2
249.16360	11.4
251.17993	29.3
252.18617	3.7
253.19524	13.5
255.13760	3.9
255.17429	5.5
257.19135	4.6
263.17905	30.2
265.19571	14.2
267.17557	4.4
267.21158	3.6
269.18991	42.6
273.18558	12.2
277.19464	13.8
279.21048	8.1
281.18967	24.8
285.18497	9.4
293.22906	3.3
295.20511	11.3
295.24161	25.6
297.18451	24.2
297.21860	4.5
297.25638	19.7
299.20062	4.2
309.18472	12.1
313.25290	13.2
315.19550	38.5
319.24176	51.3
321.25732	30.6
323.23724	4.3
327.19531	9.5
337.21292	7.5
337.25223	100.0
339.26764	7.1
341.24713	32.8
347.23654	10.2
355.26099	5.7
365.24744	95.5
375.21588	3.8
383.25830	43.4
413.86044	3.5
425.27029	3.5
443.27679	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	880.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.1
67.05498	11.0
69.03394	1.1
69.07066	7.2
70.66152	0.5
70.66502	1.7
71.04963	1.1
71.08627	16.1
73.02894	1.1
79.05057	0.6
79.05487	11.6
81.03412	2.0
81.07050	15.5
83.01321	0.5
83.04971	2.1
83.08614	9.8
85.02905	4.7
85.06518	0.7
85.09704	0.6
85.10178	8.3
89.05994	0.9
91.03947	2.6
91.05026	0.4
91.05462	4.1
93.07037	18.3
95.04966	3.3
95.08600	28.1
96.08894	0.6
97.02893	3.6
97.06537	2.6
97.10152	2.6
99.04456	2.4
99.11674	0.4
103.07555	1.2
105.07019	4.1
107.04951	4.4
107.08587	14.2
109.06465	1.3
109.10142	5.8
111.04410	1.0
111.08043	1.1
111.11696	0.9
117.07003	4.2
119.07765	0.6
119.08562	6.1
121.06487	3.1
121.10139	6.8
123.08007	0.9
123.11652	1.4
125.05985	2.0
127.03846	0.5
130.07793	1.0
131.08553	0.5
133.10120	2.1
135.08051	1.3
135.11687	28.5
136.11948	0.7
137.13255	0.7
139.07501	1.1
145.04927	0.9
145.10115	15.6
153.12668	0.8
163.06000	1.3
163.11179	41.0
173.09589	0.9
181.12234	6.5
209.11726	1.2
210.87187	0.4
227.12770	44.5
239.23726	1.6
257.24792	1.8
283.15390	84.9
284.15689	1.9
313.27347	82.6
314.27631	2.9
521.38354	100.0
522.38849	4.9
730.87018	0.5
745.95667	0.5
844.14221	0.5
864.94159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98237	0.5
67.05503	9.9
69.03437	2.4
69.07070	5.1
71.04980	1.5
71.08633	12.2
71.56290	1.0
71.58525	0.4
73.02916	1.0
79.05486	6.1
81.03416	26.2
81.07053	12.6
83.04979	5.3
83.08614	14.9
83.09109	0.8
85.02901	13.6
85.06464	0.5
85.10180	5.9
87.04465	0.7
87.08105	1.2
91.03956	2.5
91.05480	8.4
93.07044	4.8
95.04974	9.4
95.08608	9.7
95.09159	0.8
96.08947	0.5
97.02879	3.6
97.06503	1.3
97.10177	3.4
99.08124	0.5
99.11716	0.6
105.07037	5.4
107.04956	1.7
107.08569	3.4
109.06524	1.7
109.10155	4.3
111.04489	0.8
111.08066	3.7
113.05977	0.8
115.05458	0.4
117.07081	0.6
119.08566	5.7
121.10120	3.3
123.08064	0.9
123.11714	1.9
125.09620	0.7
127.03918	2.4
129.07007	3.7
131.08553	3.7
133.06497	1.0
133.10120	3.2
135.11711	0.6
137.09608	0.8
137.13287	0.8
143.95995	0.5
145.04984	1.1
145.10130	0.5
147.08031	1.6
147.11679	6.0
149.09628	2.1
151.11169	0.5
157.10133	4.7
163.06024	0.9
163.11189	0.9
164.11612	0.5
165.12770	1.2
175.11197	7.0
184.07393	0.7
193.12239	20.3
211.13281	26.4
229.14212	0.7
230.66939	0.5
239.23724	0.9
249.15025	0.6
257.24606	0.9
267.15891	8.9
283.15457	1.8
284.15775	1.6
285.16956	25.4
313.27344	32.1
314.27744	1.9
315.28088	0.8
316.28992	0.5
429.21170	0.6
505.38770	6.6
521.38104	0.6
522.38708	1.5
523.39917	100.0
524.40204	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	882.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.0
67.05501	15.8
69.03425	3.8
69.07065	7.6
71.04990	2.6
71.08629	16.7
71.57337	0.5
71.57693	0.7
72.47564	0.4
73.02917	3.4
79.05490	12.3
81.03413	36.4
81.07053	20.4
83.04974	8.4
83.08616	18.5
85.02900	25.9
85.06541	1.9
85.10179	10.4
87.04440	0.8
89.06006	0.7
91.03956	6.4
91.05476	17.6
93.07037	9.9
95.04964	16.0
95.08598	17.9
97.02280	0.5
97.02880	7.9
97.06506	1.9
97.10166	5.7
99.04417	1.0
99.08065	1.1
99.11685	0.7
103.07556	0.9
105.07027	12.1
107.04941	3.9
107.08586	4.2
109.02876	0.6
109.06522	2.8
109.09440	0.5
109.10144	8.2
111.04406	1.7
111.08076	5.9
111.11683	0.6
113.05962	1.3
115.05421	0.8
117.07026	1.0
119.08571	11.2
121.06483	0.7
121.09437	0.5
121.10139	6.0
123.08035	1.8
123.11699	3.6
125.09597	0.9
127.03912	2.5
127.07434	0.5
129.06995	7.0
131.08566	7.9
133.06441	1.7
133.10124	7.3
135.11685	0.5
137.09558	0.7
137.13187	0.8
142.07730	1.4
145.04907	2.6
145.10081	0.7
147.08003	1.6
147.11664	8.9
149.09621	4.2
157.10121	9.2
163.06017	2.8
165.12708	1.8
175.11186	9.1
184.07286	0.5
193.12236	27.8
211.13284	44.3
212.13654	0.6
239.23680	1.4
249.14743	0.6
257.24756	1.7
267.15909	15.8
285.16949	65.5
286.17383	0.7
300.76669	0.5
313.27350	66.5
314.27527	1.1
426.72089	0.4
436.17801	0.5
505.38812	14.3
506.39151	0.6
523.39929	100.0
524.39996	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.9
67.05501	14.4
69.03428	2.6
69.06676	0.3
69.07063	7.5
69.73217	2.3
71.04985	2.5
71.08629	18.1
73.02922	2.5
79.05488	10.2
81.03413	29.8
81.07051	18.8
83.04977	6.8
83.08614	16.3
84.08912	0.4
85.02901	19.0
85.06512	0.9
85.10180	10.1
87.04442	0.8
89.05993	1.2
91.03397	0.4
91.03951	4.5
91.05476	12.8
91.68654	0.3
92.05781	0.3
93.07040	7.8
95.04964	12.3
95.08601	16.7
97.02895	5.8
97.06534	2.1
97.10165	4.2
98.20690	0.3
99.04395	1.3
99.08054	0.9
99.11691	0.9
103.07536	0.6
105.07020	10.1
107.04955	2.8
107.08583	4.1
109.02833	0.5
109.06543	1.9
109.07108	0.5
109.10153	6.7
110.10406	0.3
111.04404	1.0
111.08068	4.0
111.11678	0.8
113.05965	1.2
115.03844	0.4
115.05415	0.8
117.06988	0.9
119.04897	0.4
119.08576	8.2
120.93472	0.3
121.06468	0.9
121.10131	5.3
123.08023	1.4
123.11674	3.1
125.09647	0.8
125.13221	0.3
127.03910	1.9
127.07452	0.6
128.06184	0.6
129.07004	5.1
129.77037	0.3
131.08546	5.1
133.06438	1.2
133.10127	5.7
135.08101	0.4
135.11646	0.4
137.09550	0.9
137.13232	0.9
141.07019	0.3
142.07739	1.9
145.04984	2.0
145.10083	1.0
147.08051	1.6
147.10503	0.3
147.11682	7.2
149.09612	3.4
157.10120	7.8
159.11688	0.4
163.06058	1.6
163.11166	0.7
165.12691	1.6
165.16193	0.3
175.11188	7.4
184.07304	0.4
191.10744	0.4
193.12230	20.4
203.10542	0.4
211.13287	23.3
239.23683	1.5
249.14677	0.4
257.24661	1.3
267.15900	12.0
275.25073	0.3
285.16946	33.6
286.17197	0.7
298.27414	0.4
300.54474	0.3
313.27353	68.9
314.27670	1.6
352.40030	0.3
414.29105	0.4
505.38846	17.6
506.39236	0.4
523.39923	100.0
524.40155	3.2
591.33905	0.3
667.44287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.2
61.03218	0.3
65.03909	0.3
67.05505	8.9
69.03438	1.8
69.07066	4.9
71.01317	0.8
71.04999	1.6
71.08633	12.5
73.02922	2.7
75.04448	0.2
79.05492	8.9
81.03418	6.2
81.07056	13.1
83.01334	4.6
83.04982	5.1
83.08617	9.6
85.02907	11.4
85.06529	0.6
85.10183	8.0
87.04444	0.3
89.06000	0.9
91.03955	6.3
91.05481	5.1
93.07043	11.5
95.04964	3.3
95.08606	12.0
96.04468	0.3
97.02892	7.2
97.06526	2.0
97.10175	3.0
97.66997	0.3
99.04440	2.1
99.08090	0.3
99.11700	0.5
103.05467	0.3
103.07538	0.8
105.04449	0.3
105.07031	4.3
107.04306	0.3
107.04961	4.3
107.08588	7.1
109.02864	0.6
109.06519	3.7
109.09475	0.4
109.10154	5.3
111.04398	1.1
111.08038	0.8
111.11681	0.5
115.03893	0.7
115.27124	0.3
117.07026	4.0
119.08582	4.4
121.06503	1.4
121.10131	3.8
123.04428	0.3
123.08076	4.8
123.11687	2.0
125.05939	1.0
125.09599	0.9
125.13264	0.3
127.03902	2.4
129.05453	0.3
129.06990	0.7
130.07739	0.7
131.08566	1.7
132.53233	0.2
133.10123	1.3
135.08012	0.6
135.10704	0.5
135.11690	6.8
136.12015	0.2
137.09659	0.5
137.13205	0.7
142.40874	0.2
143.08519	0.6
144.06552	0.4
145.04950	3.1
145.06091	0.4
145.10129	8.9
147.08005	1.1
149.09596	0.3
151.11124	0.3
153.12741	1.2
155.08551	0.7
162.07593	0.2
163.06009	3.7
163.11183	14.1
173.09621	2.1
181.12244	2.1
184.07343	0.3
191.10669	1.5
204.08781	0.3
209.11731	4.0
227.12767	2.3
239.23695	1.1
257.24695	1.5
283.15396	100.0
284.15802	1.9
313.27362	69.9
314.27725	2.0
373.91299	0.3
471.49896	0.3
521.38397	49.4
522.38586	1.9
576.06885	0.3
788.11542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2651
Annotation	Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
61.02912	0.6
66.28596	0.2
67.05499	0.3
68.99789	0.2
69.03429	2.8
69.59480	0.2
71.01347	0.6
71.04989	10.1
71.64355	0.3
73.02915	3.6
75.04462	0.7
76.02186	0.2
79.05491	0.2
81.03395	0.5
83.04977	4.2
85.02898	16.7
87.04449	0.6
95.04954	0.7
97.02285	0.3
97.02884	3.5
97.06496	0.3
99.04441	0.7
101.06007	0.3
103.03931	0.3
107.04942	0.3
109.02881	0.6
111.00806	0.3
111.04443	3.6
113.05997	0.5
115.03924	2.0
117.05513	0.5
121.02862	1.7
121.06453	0.2
123.04382	0.3
127.03931	1.0
129.05467	5.2
133.02821	0.3
133.04933	0.8
135.04419	0.3
137.02316	0.4
137.05980	0.3
139.03889	0.6
145.04959	0.8
147.04414	0.4
147.06503	2.4
151.03909	0.2
153.01834	2.3
153.05457	0.9
157.04929	0.4
157.06424	0.3
161.06035	0.2
161.09573	0.2
163.03870	0.4
163.06071	0.3
165.01814	1.3
169.04892	0.3
171.06523	0.5
176.23407	0.2
183.02838	0.5
183.06552	0.2
185.05940	0.4
195.06317	0.3
197.05972	0.2
201.07585	0.4
203.03545	0.2
203.07037	0.2
213.05505	0.7
225.07544	1.5
231.06477	0.6
231.08580	0.2
239.09235	1.0
241.04836	0.6
243.08597	0.9
257.10214	0.5
258.05270	0.7
259.05939	0.4
261.09561	0.4
273.09540	0.2
275.11221	0.7
279.10690	0.6
287.05481	100.0
288.05789	1.7
293.12292	0.7
299.05432	0.8
300.06232	0.3
311.05515	0.3
325.06873	0.3
329.06546	2.0
330.10617	0.2
353.06488	0.6
383.08041	0.2
397.09186	0.5
415.10214	0.4
419.09781	0.5
431.09909	0.3
433.11252	1.2
449.10678	1.6
595.16888	0.2
816.96454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.9
62.07705	1.0
67.05499	19.4
68.88555	1.0
69.07058	6.9
70.24239	5.0
71.08621	11.9
79.05055	1.7
79.05486	23.9
81.03394	3.0
81.07048	17.2
83.04972	4.9
83.08604	5.2
85.02887	3.6
85.06531	1.1
85.10162	5.5
91.05473	19.0
93.07038	24.8
95.04967	8.0
95.08596	15.3
97.02892	1.9
97.10161	2.7
97.12212	1.0
105.07024	14.7
107.04937	3.1
107.08595	5.1
109.06512	2.5
109.10139	4.2
115.05472	1.1
117.06992	3.6
119.08585	9.9
121.06522	1.7
121.10180	1.1
123.08039	1.6
123.11681	1.2
123.15932	1.0
129.06990	4.3
131.08490	1.3
133.10110	4.7
135.11649	1.3
135.75107	1.2
143.08549	3.8
145.10114	3.9
147.11690	12.4
161.09604	1.8
161.13258	4.0
171.11688	10.4
189.12740	2.7
207.13802	13.6
219.04297	1.1
239.23618	1.2
257.24762	1.1
281.17468	45.3
313.27341	38.6
314.27628	1.2
453.15057	1.1
496.36337	1.1
519.40417	100.0
520.40533	3.3
797.91718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.7
67.05504	11.5
68.05032	1.2
69.03424	6.3
69.05812	0.7
69.07063	6.9
70.06595	8.7
70.90002	1.6
71.04990	100.0
71.08634	6.6
72.05328	0.8
73.02917	0.9
79.05486	12.1
80.05013	0.9
81.03418	2.9
81.07048	11.3
82.06578	1.4
82.07396	1.0
83.04987	2.3
83.08620	6.3
84.08144	4.4
85.02903	1.7
85.10178	2.9
86.06075	4.6
88.03992	4.4
91.05492	5.1
93.07039	6.4
94.06573	1.2
94.07388	0.8
95.04974	3.0
95.08607	9.3
96.04494	0.5
96.08129	11.1
97.02880	0.8
97.06532	0.7
97.10167	6.6
98.06054	4.7
99.04456	0.9
102.05571	0.7
105.07030	8.3
106.06557	2.1
106.07304	0.9
107.04964	0.8
107.08586	8.1
108.08958	0.9
109.02862	1.9
109.06525	1.6
109.10160	3.9
110.03578	0.6
111.04436	1.0
111.08086	2.6
112.07610	6.8
114.09155	0.6
115.05457	0.7
117.07001	2.8
117.33050	0.5
118.07359	0.5
119.04953	0.5
119.08576	4.7
121.06540	1.4
121.10118	3.0
122.06060	0.9
122.10529	0.9
123.08058	0.7
123.11683	1.1
124.07594	8.6
125.09620	5.1
127.03914	0.7
127.07695	0.5
128.06204	0.7
129.07027	1.0
131.08589	2.9
133.10117	2.5
135.08049	3.6
135.11731	1.5
139.07553	1.2
140.07082	1.0
141.07901	0.8
142.07738	1.1
142.08662	5.6
143.08562	1.7
144.08997	0.6
145.10159	2.7
147.08101	0.7
147.11708	1.8
151.07558	0.8
153.09152	1.8
155.08591	1.1
157.10126	3.9
158.08113	6.4
158.10571	0.7
159.08078	0.7
159.11668	4.9
160.12022	1.8
161.09595	1.0
161.13318	2.3
163.11159	1.3
169.10057	0.9
170.08118	1.1
171.11656	0.6
173.09750	0.6
173.13286	1.1
174.13571	0.7
175.11160	4.1
175.14748	0.6
176.11598	0.6
177.12779	1.4
181.10083	0.8
183.11757	1.6
184.07333	0.8
185.69289	0.6
187.11296	0.7
189.11227	2.1
189.12788	1.5
195.11725	1.2
197.13368	0.8
201.12796	0.7
202.10901	0.8
202.12991	0.5
207.11765	0.7
209.13420	1.0
211.14888	0.9
227.12624	3.9
229.12263	1.7
230.12704	0.9
237.16241	0.6
241.64796	0.5
248.16559	1.2
249.16022	0.5
251.18153	0.9
263.17987	0.7
269.18942	1.2
297.18509	1.7
312.18048	23.7
313.18430	1.0
313.27301	5.4
313.30258	0.6
315.19617	0.9
319.24265	0.7
330.19257	2.1
337.25259	1.7
338.25595	1.9
348.24460	0.6
365.24698	5.6
366.25201	4.0
383.25745	1.2
384.26196	1.2
398.88773	0.6
404.22708	2.5
453.14319	0.8
458.23843	0.6
465.35306	0.6
483.37357	0.8
587.81000	0.6
612.23535	2.7
624.43738	0.6
630.24457	1.0
642.45752	85.2
643.46014	7.1
868.47070	25.2
869.46906	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.7
65.03931	4.4
67.05500	76.4
69.03418	6.6
69.07063	36.5
69.52716	10.2
69.53136	4.2
71.04993	8.1
79.05488	67.2
81.03414	15.6
81.07049	100.0
83.04980	14.9
83.08615	18.1
85.02899	6.3
85.06534	5.6
86.09717	2.0
91.05475	56.0
93.07037	76.4
95.04968	15.8
95.08605	39.9
97.02918	8.1
97.06525	22.6
97.10155	10.0
98.20815	3.8
99.04449	1.9
99.08071	3.6
103.05448	1.8
105.04491	2.4
105.07021	51.2
107.04950	12.3
107.08590	42.9
109.02889	2.5
109.06499	9.2
109.10144	16.2
111.08084	6.3
113.09650	3.6
115.05450	4.0
117.06995	21.5
119.08562	35.1
121.06493	6.3
121.10137	22.8
123.08076	5.8
123.11703	7.7
125.09617	8.1
127.03909	4.9
128.06206	2.4
129.07001	9.2
130.07820	2.4
131.08556	26.0
133.06393	2.6
133.10120	30.2
135.08026	8.8
135.11693	20.4
137.09613	4.2
139.11191	2.1
142.07822	1.9
143.08591	7.8
145.06471	3.8
145.10101	20.8
147.08009	3.0
147.11674	15.7
149.09633	15.4
149.13245	14.7
151.11180	3.3
155.08542	4.6
157.10127	6.5
158.17494	1.9
159.08040	2.1
159.11668	20.5
159.30898	2.2
161.09648	3.0
161.13239	6.8
162.02551	1.7
163.11183	12.9
167.08659	1.9
169.10121	5.5
171.11723	5.5
173.13319	6.5
175.11209	2.1
177.12729	6.7
179.14305	3.6
181.10027	2.4
183.11694	4.8
184.07408	4.4
185.09669	2.0
185.13245	3.8
187.14844	3.0
189.11243	3.5
189.12764	2.5
193.12369	2.2
195.13812	10.0
197.13235	3.1
199.14806	2.4
213.14819	2.0
221.15466	1.6
227.12706	9.2
229.19472	3.2
233.15347	2.1
239.18004	4.0
247.20506	2.7
251.16336	1.8
253.14619	1.6
253.17902	2.1
255.15868	11.6
257.18979	8.1
267.15869	4.9
269.17468	49.4
275.20065	45.2
291.19510	2.4
293.21045	3.3
349.23709	37.5
365.22992	1.7
366.23578	1.8
367.24774	4.7
413.21863	1.9
433.30344	2.1
435.27036	2.1
445.29285	3.5
449.28943	22.1
463.30493	32.2
515.36694	1.7
525.35504	3.2
529.35126	6.6
543.29272	3.0
543.36792	36.0
547.36121	2.4
559.82104	1.7
561.37860	5.4
623.42761	4.0
641.43988	4.3
670.53241	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.2
65.03934	4.9
67.05504	73.6
69.03435	7.6
69.07065	38.5
70.06580	1.4
71.04986	6.0
71.64486	2.4
73.36506	1.3
79.05491	66.5
81.03420	16.4
81.07053	100.0
83.04980	15.1
83.08607	14.1
85.02899	5.7
85.06551	6.3
86.09697	1.7
91.05476	55.9
93.07036	64.6
94.94923	1.3
95.04964	14.9
95.08602	42.3
97.02924	6.7
97.06516	15.5
97.10165	10.0
99.08091	4.5
103.05459	2.2
105.07024	43.5
107.04953	9.4
107.08584	45.2
109.06507	8.5
109.10141	17.6
111.08048	7.2
113.09627	1.5
115.05447	2.9
117.07008	20.8
119.08581	32.9
121.06483	7.4
121.10139	21.4
123.08026	6.5
123.11707	5.0
125.09608	6.9
127.03924	3.7
128.06169	2.1
128.30255	1.3
129.05492	2.5
129.06993	8.6
130.07777	2.0
131.08559	29.9
133.06485	4.1
133.10120	30.4
133.11073	2.3
135.08093	6.8
135.11685	20.8
137.09618	2.9
137.13286	1.6
140.71388	1.3
141.06960	4.2
142.07816	1.6
143.08534	6.9
145.06483	2.2
145.10110	20.8
147.08037	3.6
147.11688	15.1
149.09618	14.6
149.13245	19.0
151.11156	3.3
155.08566	6.0
157.10095	8.3
159.11662	20.2
161.09563	2.0
161.13231	8.1
163.11174	12.6
165.12762	2.7
169.10089	5.9
171.11624	7.1
173.04486	2.5
173.11996	1.7
173.13237	9.3
175.11162	3.3
177.12766	6.8
179.14294	4.7
181.09996	1.7
181.12273	3.3
183.11665	4.5
184.07356	4.4
185.13254	3.3
187.11252	2.2
187.14809	2.1
189.11255	3.7
189.16502	1.4
195.11792	1.7
195.13776	6.4
197.13197	3.4
211.15054	1.7
227.12749	7.8
239.18062	3.4
247.20647	3.7
251.16473	2.4
254.12256	1.5
255.15849	11.1
257.18930	11.8
259.20636	1.8
267.15976	3.3
269.17468	45.0
275.20050	43.4
291.19727	1.5
293.21042	2.2
313.21436	1.6
331.22519	2.6
349.23715	36.5
367.24719	7.5
413.21478	1.9
431.28064	2.3
435.27585	2.0
449.28964	22.7
451.32117	2.4
463.30609	29.3
525.36145	3.3
529.35236	6.6
543.36755	33.9
544.37378	1.5
561.37848	4.8
561.46100	1.5
570.79376	1.5
607.34033	2.0
623.42780	4.8
641.43512	5.0
659.43512	1.6
774.85419	1.6
857.45795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	2.5
65.03946	6.5
67.05505	88.4
69.03430	11.3
69.07066	50.0
69.07420	1.2
69.53627	1.3
69.53894	15.2
70.07359	1.6
71.04990	7.1
73.02901	3.3
79.05006	2.3
79.05489	76.8
81.03429	17.2
81.07057	100.0
83.04973	17.0
83.08619	22.4
85.02900	9.0
85.06549	6.3
86.09718	3.7
89.93871	1.5
91.03969	1.6
91.05480	69.8
93.07040	83.6
95.04967	16.4
95.08601	47.1
97.02886	8.2
97.06528	26.0
97.10155	19.3
98.20791	3.2
99.08096	4.6
102.61274	1.7
103.05487	2.6
105.04562	2.3
105.07029	57.0
107.04948	14.7
107.08594	51.9
109.02883	4.4
109.06525	8.6
109.10158	18.5
111.04439	2.7
111.08077	7.4
113.09638	4.9
115.05453	3.1
117.07014	30.9
119.08580	40.1
121.06489	9.5
121.10139	26.1
123.08052	7.2
123.11729	7.1
125.09638	13.7
127.03922	4.5
128.06238	2.3
129.05507	3.1
129.07005	15.0
131.08582	34.7
133.06485	5.2
133.10126	35.2
135.08070	4.9
135.11685	20.6
137.09627	5.2
139.11124	1.7
141.06975	4.1
142.07765	2.6
143.08562	9.1
144.09470	1.7
145.06551	3.0
145.10109	29.4
145.11159	2.9
147.08057	4.1
147.11670	21.6
149.02371	2.4
149.09634	23.5
149.13266	19.8
151.11214	3.2
155.08517	7.9
157.10126	10.0
159.08121	2.6
159.11687	22.2
161.09599	3.1
161.13254	10.7
163.11176	14.0
165.09076	2.0
165.12749	3.8
167.08531	2.6
169.10130	6.7
171.10323	2.7
171.11737	7.8
172.91672	1.5
173.04507	4.9
173.13255	11.5
175.11157	3.2
175.14806	2.4
177.12773	5.7
179.08514	1.8
179.14340	5.6
181.10129	2.7
181.12180	2.4
183.11707	7.1
184.07310	8.8
185.13303	3.5
187.11089	2.3
187.14799	2.4
189.11212	6.2
189.12688	2.1
191.14346	1.8
193.05115	2.4
195.11789	3.3
195.13824	6.7
197.13309	4.5
199.14865	2.4
201.12776	2.1
211.14851	3.4
213.06235	1.8
219.13748	2.0
227.12791	20.0
229.14215	3.1
229.19521	3.2
232.05284	1.9
239.17966	6.5
245.13820	1.7
247.20724	3.4
253.14546	2.6
255.15854	14.8
256.54190	2.0
257.19043	15.7
267.15909	5.4
269.17484	38.4
275.20062	59.7
293.21024	3.0
325.21548	2.0
331.22653	4.4
339.23166	1.9
349.23755	52.0
367.24753	5.5
413.21756	3.3
435.27679	2.5
439.27045	2.3
445.29160	3.5
447.31284	2.1
449.28940	19.6
463.30649	20.7
469.33984	2.2
508.07388	1.9
515.36926	2.4
525.35822	4.7
529.35492	11.6
543.36865	38.8
547.36694	2.3
561.37799	6.5
623.42651	10.2
641.44208	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.9
65.03945	2.9
67.05499	100.0
69.03436	2.2
69.07067	17.1
70.90743	3.7
71.01350	2.0
71.04989	5.1
71.08627	2.2
73.02921	2.2
79.05486	49.1
79.23614	1.5
81.03426	7.8
81.07053	60.2
83.04977	5.5
83.08612	12.0
84.17396	1.3
85.02900	12.9
85.06544	2.6
86.40647	1.4
87.04446	2.1
91.05473	25.7
93.07037	43.2
95.04957	6.8
95.08604	39.0
97.02902	6.3
97.06538	3.3
97.10160	12.3
97.31831	1.5
99.08076	2.2
103.03937	2.2
105.07030	14.6
107.04948	3.9
107.08586	25.7
109.06494	2.3
109.10146	56.2
109.10896	2.8
111.04403	1.9
111.08078	3.5
117.07026	6.8
118.81078	1.4
119.08592	15.5
121.10130	18.2
123.08074	2.2
123.11699	4.6
125.09637	13.0
129.05527	2.0
129.06987	1.9
131.08556	12.2
133.10129	7.3
135.11702	12.7
137.09619	3.4
137.13148	1.5
143.10672	1.7
145.10130	8.2
145.31934	1.7
147.08067	1.4
147.11661	6.4
149.09718	1.8
149.13280	7.4
153.12686	2.7
155.10698	2.5
159.11702	5.0
161.13219	3.6
163.11140	9.4
163.14813	2.4
173.11726	17.0
173.13284	4.9
175.14815	2.1
187.14798	4.4
191.10649	1.9
193.12241	3.0
199.13298	5.8
205.82365	1.6
209.11726	5.4
217.14409	2.3
218.30145	1.6
227.12784	6.4
229.14349	42.2
243.21063	5.1
257.13675	1.9
261.22131	17.6
283.15387	2.3
301.16385	14.1
327.23254	1.6
335.25781	86.7
336.26190	4.5
399.23730	11.1
477.35620	7.8
489.35638	22.4
543.36322	2.6
561.38104	8.3
579.38666	3.7
659.45142	21.5
781.13422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.0
65.03934	5.6
67.05501	94.4
69.03426	11.6
69.07064	49.0
71.04974	8.1
71.64734	1.7
71.65119	3.4
76.89478	1.7
79.05483	79.2
80.05798	2.2
81.03418	18.0
81.07051	100.0
83.04987	14.6
83.08606	22.0
83.67601	1.5
85.02888	8.8
85.06523	5.1
87.88827	1.9
91.03932	2.5
91.05474	85.4
93.07038	84.0
95.04973	24.6
95.08599	55.1
97.02877	9.1
97.06525	18.3
97.10152	12.4
99.04484	2.5
99.08073	3.6
103.05455	4.4
105.04440	2.1
105.07022	81.3
107.04937	12.7
107.08586	50.1
109.02850	2.0
109.06513	10.0
109.10141	26.0
111.04410	1.9
111.08054	6.9
113.09647	1.7
115.05458	8.7
117.07013	32.6
119.08575	55.7
121.06483	7.6
121.10126	31.8
123.04436	1.7
123.08112	9.3
123.11680	7.1
125.00057	1.8
125.09618	10.6
127.03905	4.5
128.06197	6.3
129.05486	3.1
129.06981	18.4
130.07794	2.5
131.08563	34.8
133.06493	3.3
133.10120	45.5
133.34125	1.8
134.10487	2.5
135.08028	7.9
135.11673	20.7
137.06047	2.0
137.09579	5.6
141.06984	7.6
142.07805	3.3
143.08554	21.1
144.09128	2.3
145.10110	33.2
147.08032	4.3
147.11653	29.3
147.12749	2.0
149.09592	16.4
149.13223	12.2
151.11177	5.9
153.09059	2.6
155.08537	8.6
157.10106	16.8
159.07997	2.1
159.11685	28.1
161.13264	15.1
163.11192	9.8
165.09070	2.1
165.12692	2.8
169.10071	10.1
171.11649	13.3
173.04576	4.7
173.09618	2.4
173.11833	3.3
173.13208	11.4
175.11165	4.5
175.14825	3.5
177.12772	3.1
179.14294	3.8
181.10152	4.9
183.11711	11.0
184.07318	5.4
185.13174	9.2
187.11229	2.6
187.14845	4.8
189.11177	6.6
189.12825	3.5
195.11754	4.3
195.13806	5.3
197.13229	5.2
199.14819	4.3
201.12695	2.6
203.14345	2.4
209.13242	4.1
211.14893	4.6
213.16426	2.9
219.13737	2.4
223.14859	2.8
225.16292	2.4
227.12785	7.2
229.14209	3.9
229.19627	3.2
231.17207	1.9
233.15219	2.2
235.16922	2.2
237.16508	2.9
239.17915	4.1
241.19514	6.4
247.20575	2.4
253.14229	4.4
255.15904	7.5
257.19003	9.2
259.20532	20.1
269.17407	15.3
273.18408	2.9
275.20087	31.5
291.19461	3.5
293.21078	4.2
315.23187	3.6
331.22577	3.3
333.24319	13.9
335.25980	4.1
349.23694	18.4
367.24765	2.4
427.27890	2.7
435.32339	3.2
449.28793	3.6
463.30270	4.8
489.35410	2.2
501.35864	2.2
513.35815	15.5
515.38055	3.3
527.37354	11.3
543.36469	6.7
561.36786	2.2
607.43622	13.9
623.42804	2.8
625.44867	11.3
641.43866	2.5
659.44598	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34091	1.0
65.03931	3.0
66.00526	1.0
67.05504	46.0
69.03426	11.0
69.07066	37.5
70.06583	5.4
70.24608	4.7
71.04986	3.6
72.08167	1.2
73.02921	1.3
76.82434	0.9
77.03868	1.0
79.05491	42.3
81.03415	12.7
81.07054	54.0
82.07354	1.3
83.04987	9.4
83.08605	15.0
85.02903	3.3
85.06540	3.0
86.09703	3.3
91.05481	34.4
93.06461	2.2
93.07041	38.9
95.04966	11.8
95.08605	23.3
95.09175	0.8
96.08131	16.7
97.02890	10.1
97.05971	1.7
97.06534	13.3
97.08458	3.1
97.10177	15.5
99.04421	1.4
99.08095	1.9
103.05448	2.6
105.07018	27.1
107.04948	11.3
107.07861	1.6
107.08592	27.1
109.02885	2.3
109.06514	5.1
109.10148	13.3
111.04409	1.9
111.08092	4.3
115.05458	2.0
117.07018	15.8
119.04942	1.6
119.08577	23.7
121.06488	4.2
121.10133	11.0
121.82175	1.1
123.04381	1.3
123.08047	4.7
123.11707	2.9
125.09627	12.1
127.03898	2.4
128.06201	1.9
129.06963	6.3
130.07748	1.5
131.08557	15.2
131.92172	1.0
133.06496	3.4
133.10127	16.6
134.07314	1.1
135.08080	6.8
135.11707	8.7
136.06187	2.0
137.09592	4.1
139.07591	1.2
139.87404	1.1
141.06990	1.8
143.08559	7.5
145.10124	11.5
147.08063	5.2
147.11699	8.6
149.09599	11.2
149.13249	6.2
151.11159	3.2
152.05708	1.4
153.09093	1.3
155.08562	1.6
157.10097	4.3
159.11684	10.6
161.09612	2.4
161.13271	3.6
162.07758	3.1
162.10297	1.0
163.11131	7.0
165.09064	2.3
169.10139	2.5
171.10219	1.4
171.11649	3.2
173.13246	3.5
175.11201	3.4
177.12729	3.6
179.14349	2.3
183.11717	2.6
184.07365	1.9
185.09604	1.4
185.13345	2.2
187.11058	1.8
189.11249	5.2
189.12723	1.6
191.14230	1.4
193.12195	1.4
194.59752	1.0
195.12086	1.0
195.13763	5.0
197.13327	1.4
199.14824	2.5
201.12611	1.0
203.14322	1.3
205.12199	1.5
215.17830	1.6
223.13286	16.6
227.12729	10.9
239.18008	2.1
245.18939	1.8
249.14818	2.6
253.14250	5.0
255.15939	4.6
257.19086	6.3
263.19641	1.2
267.15845	2.1
269.17484	13.8
273.18506	14.4
275.20065	20.7
291.19537	100.0
292.19836	2.7
296.18719	2.2
309.20425	1.1
331.22726	1.9
347.22192	3.4
349.23746	18.7
365.23257	40.5
366.23422	1.7
367.24771	2.6
413.21686	1.5
517.31500	1.3
519.33398	1.3
541.35040	3.8
545.34808	15.9
559.36310	47.6
560.35968	2.1
621.41754	2.1
626.45880	3.2
627.45593	1.7
628.46594	5.1
639.42523	20.9
657.43451	3.5
692.43915	1.4
854.47467	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	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.4
67.05499	57.2
69.03420	12.6
69.06721	2.4
69.07064	36.1
70.06570	2.7
71.04969	4.8
71.64912	1.4
72.08140	1.8
72.45982	1.3
79.05486	44.7
81.03415	12.0
81.07048	57.7
83.04975	7.5
83.08616	14.9
84.08136	1.5
85.02882	2.6
85.06512	2.0
86.09669	2.7
91.05473	46.3
93.07039	45.0
94.07299	1.3
95.01308	1.4
95.04949	12.3
95.08031	2.1
95.08598	25.8
96.08051	1.7
97.02895	10.2
97.06535	11.5
97.09604	1.7
97.10166	14.0
105.07019	33.3
107.04936	10.4
107.08587	32.6
108.09010	1.2
109.02845	1.4
109.06512	8.3
109.10153	19.4
111.04447	1.8
111.08058	5.0
113.05987	1.1
115.05454	2.3
117.07001	15.2
119.04881	2.7
119.08572	21.7
121.06522	6.2
121.10127	14.3
123.08035	5.4
123.11674	3.6
125.09640	11.9
127.03848	1.6
128.06198	3.0
129.06966	4.5
131.08554	18.3
133.06454	4.0
133.10126	23.0
135.08080	5.9
135.11713	9.4
137.09584	3.4
139.11160	1.2
141.06914	1.6
143.08524	3.9
145.06461	1.9
145.10112	12.7
147.08060	6.2
147.11667	7.6
149.09581	8.2
149.13260	10.5
151.11133	7.5
153.09120	1.5
155.08501	3.5
157.10104	5.3
158.95932	1.3
159.08087	1.5
159.11678	10.6
161.09637	3.4
161.13220	3.4
163.11176	6.3
169.10117	1.2
171.11699	4.4
173.04430	1.7
173.05817	1.2
173.09608	1.9
173.13278	3.1
175.11139	3.1
177.12700	3.8
179.14308	3.2
183.11635	2.3
184.07207	1.8
185.13211	2.9
189.11179	5.8
195.13809	6.6
205.12210	2.7
211.14873	1.9
223.13261	15.3
227.12735	8.1
229.19537	1.3
239.18095	1.7
239.41508	1.4
245.19023	2.8
248.02054	1.5
249.14754	3.3
253.14377	15.6
255.15804	5.3
257.18933	4.6
267.15936	2.3
269.17398	22.2
271.15280	1.7
273.18469	18.5
275.17279	1.6
275.20096	16.2
291.19522	100.0
292.19800	3.4
293.21042	1.6
309.20682	2.6
329.21228	1.3
331.22406	1.6
347.22125	5.2
349.23660	12.7
365.23206	40.9
367.24670	2.9
461.28778	2.4
527.33453	2.2
541.35059	4.6
545.34808	15.9
559.36218	65.2
560.36194	3.9
621.40277	1.4
639.42572	13.1
640.42389	1.6
657.43146	3.4
854.45367	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	852.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21898	0.2
67.04211	0.3
67.05506	2.8
68.05038	2.0
69.03411	0.6
69.05801	0.9
69.07068	1.0
69.31322	0.2
70.06592	17.6
71.04979	1.4
71.08639	1.7
71.63218	0.2
72.08174	0.3
79.05498	2.5
80.05013	1.9
81.03423	0.5
81.05795	1.3
81.07043	2.1
82.06574	2.0
83.04978	0.6
83.07371	0.3
83.08620	0.9
84.08147	2.7
85.02915	0.2
85.10172	1.0
89.06001	0.2
91.05479	0.9
92.29899	0.2
93.07030	1.1
94.06570	3.2
95.04974	0.9
95.08601	1.8
96.08129	100.0
97.06515	0.5
97.08445	0.8
97.08926	0.8
97.10178	0.8
98.06039	0.3
98.09663	1.4
100.07603	0.4
105.07030	0.5
106.06559	0.7
107.04987	0.2
107.08599	0.6
108.08125	0.3
109.10165	0.9
110.06057	0.3
110.09721	0.7
111.08085	0.3
112.07607	0.7
115.05476	0.2
117.07008	0.3
119.08605	0.6
121.10165	0.9
122.09682	0.4
124.07614	1.7
125.08377	0.6
125.09661	0.4
126.09150	2.0
131.08533	0.3
133.10141	0.3
135.11690	0.4
136.06192	0.7
138.09195	0.4
139.09912	0.3
140.07060	0.3
142.08633	2.4
145.10089	0.3
148.96095	0.2
149.09674	0.3
154.08621	1.5
159.11699	0.2
161.13283	0.2
162.07777	0.9
163.11102	0.3
170.08183	0.6
206.15440	0.6
208.16937	0.5
222.18649	0.8
234.14948	1.1
236.16454	6.3
240.19617	1.1
250.18080	0.9
252.16060	0.9
252.19861	0.3
254.17485	5.5
268.19159	0.7
278.17517	2.6
280.19116	0.3
296.18570	13.6
297.18658	0.3
310.20361	0.3
312.18063	0.4
313.27435	0.7
314.19681	1.7
326.19785	0.3
328.21143	1.4
342.22971	0.3
370.22424	0.8
388.23343	1.1
535.87457	0.3
564.42706	1.4
566.44336	2.2
580.45844	1.9
582.43903	0.4
596.23639	0.5
608.45251	7.3
609.45612	0.4
610.47125	0.3
614.24829	0.6
624.44556	0.3
626.46259	38.9
627.46448	2.2
668.47534	0.6
686.95367	0.2
690.44775	0.3
736.48425	0.2
834.47681	0.5
852.47650	12.5
853.48016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	9.6
65.03931	1.3
67.05502	26.7
69.03428	6.6
69.07061	8.2
69.41773	8.2
71.04996	6.3
73.02903	3.1
74.90228	0.7
79.05489	33.9
81.03414	90.0
81.07053	37.2
83.04974	22.8
83.08614	29.6
85.02900	43.2
85.06540	2.4
87.35789	0.7
91.03960	7.9
91.05473	45.6
93.07037	21.4
95.04965	38.4
95.08606	13.0
97.02879	10.6
97.06535	5.5
97.10166	5.7
99.04448	1.2
99.08088	1.8
105.07022	32.2
107.04951	11.7
107.08588	7.7
109.02946	0.8
109.06516	6.2
109.10162	2.9
109.71255	0.7
111.04413	3.9
111.08076	11.9
113.06007	3.4
115.05447	2.4
116.06200	1.0
117.07029	2.8
119.04929	0.9
119.08575	26.1
121.06506	2.9
121.10138	12.8
121.66317	0.8
123.08070	3.5
123.11709	2.3
125.09622	3.0
127.03966	1.8
127.07507	1.2
128.06192	1.2
129.06999	15.2
131.08562	16.1
133.06505	3.9
133.10124	13.6
137.09615	2.8
142.07779	3.3
143.08511	0.9
145.04964	2.3
145.10092	2.1
147.08075	4.7
147.11681	19.2
147.12761	1.4
149.09615	8.8
152.22682	0.7
157.10133	21.2
158.10387	0.8
163.03914	1.8
163.06038	2.1
163.11186	1.7
165.12743	4.3
165.52484	0.7
167.07082	1.7
175.11177	22.0
183.13631	0.8
193.12233	60.9
194.12646	1.0
209.28104	0.9
211.13281	92.8
212.13658	2.1
249.14986	1.7
267.15887	44.3
268.16284	1.2
273.14841	1.5
285.16946	87.1
286.17276	1.7
349.21637	0.9
367.22662	3.8
385.23575	5.4
403.24933	2.1
429.21185	0.9
433.25571	1.9
441.26370	1.6
459.27347	36.1
460.27301	1.2
477.28452	40.0
478.28802	1.8
495.29517	100.0
496.29895	3.0
588.83667	1.0
594.30505	0.9
639.33978	2.5
656.69073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.2
65.03386	0.5
65.03924	1.0
65.51933	0.5
67.05504	12.6
69.03426	4.7
69.07059	4.5
70.06577	1.0
71.01329	0.8
71.04984	6.8
71.65437	1.0
72.03718	0.6
73.02908	2.5
78.60288	0.7
78.95042	0.6
79.05489	19.3
81.03414	37.7
81.07055	18.7
83.01340	4.2
83.04977	12.7
83.08135	0.9
83.08619	18.3
85.02898	21.9
85.06525	1.9
91.03954	5.0
91.05478	21.0
93.07040	17.6
95.04962	17.0
95.08600	7.9
95.91479	0.5
97.02895	9.5
97.06527	7.5
97.10158	2.6
99.04440	1.8
99.08118	1.0
101.70695	0.5
103.05474	1.0
105.07023	14.8
107.04948	6.6
107.08589	9.7
109.02881	1.6
109.06526	6.5
109.10144	2.2
111.04461	3.6
111.08086	5.0
113.05992	1.3
115.05421	1.1
117.03333	0.9
117.07021	4.2
119.07774	1.1
119.08577	14.1
119.09439	0.8
121.06489	3.0
121.10142	7.3
123.08070	5.3
123.11697	1.4
125.05953	1.2
125.09608	1.2
125.91225	0.5
127.03890	2.3
129.05470	1.3
129.07018	5.4
130.07748	0.9
131.04958	0.6
131.08565	7.4
133.06473	2.2
133.10132	6.2
135.04420	2.3
135.08058	2.2
135.11679	7.9
137.05971	1.4
137.09602	2.0
142.07767	1.1
143.08563	0.8
145.02853	2.1
145.04939	1.0
145.06459	1.1
145.10115	10.1
147.04384	1.2
147.08049	2.3
147.11674	8.4
149.05974	1.1
149.09630	4.6
151.11116	1.1
153.12761	1.5
155.08525	0.9
157.10123	8.6
161.05995	1.0
163.03903	26.9
163.06064	1.9
163.11172	13.4
164.04218	1.4
165.12755	1.2
167.07043	2.9
168.07315	0.8
173.05989	1.0
173.09590	2.0
175.07567	0.7
175.11168	7.7
181.04947	1.7
181.12201	1.9
189.09189	0.7
191.07057	0.9
191.10640	1.9
193.08549	0.7
193.12231	25.2
209.11752	3.3
211.13275	35.3
215.10666	0.6
227.12791	2.6
233.11774	2.6
249.14850	0.6
259.09729	1.6
267.15924	7.4
277.10660	0.7
283.15384	34.7
285.16977	29.3
285.20200	1.1
287.05396	0.8
303.15802	1.1
325.09116	2.9
329.17462	2.0
347.18518	1.5
348.02216	0.6
383.22147	2.6
401.22937	1.1
457.25974	4.5
475.26953	14.9
493.27945	100.0
494.28168	3.5
536.80853	0.7
637.31854	1.0
775.72070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	3.7
61.02924	11.8
64.56892	0.6
65.03928	2.9
67.05498	100.0
68.05833	0.9
69.03422	3.3
69.07063	8.6
69.50836	4.3
70.06559	0.6
71.04986	3.6
71.08611	1.3
73.02895	3.5
79.05486	21.2
81.03408	2.0
81.07049	40.3
82.07359	0.8
83.04975	0.8
83.08611	8.8
85.02406	1.2
85.02897	14.3
85.06544	3.2
91.03956	8.6
91.05473	15.1
93.07034	28.9
94.07375	0.6
95.04944	3.1
95.08596	29.5
96.04465	0.8
97.02873	8.9
97.06523	1.9
97.10162	2.5
98.06051	1.5
99.04466	1.0
99.08079	1.1
105.04486	0.6
105.07014	8.5
107.06062	1.9
107.08578	16.1
109.02834	0.7
109.06490	1.2
109.10144	77.9
110.10471	1.3
111.08061	3.3
115.03993	0.7
117.07003	4.3
119.08570	12.7
121.10125	11.8
123.11691	4.4
125.07108	6.9
125.09611	2.2
127.03869	3.3
131.08554	6.6
133.07568	0.8
133.10089	6.4
135.11673	8.8
137.09579	3.2
137.13260	1.7
145.04918	4.6
145.10109	4.9
147.11668	4.2
149.13213	5.3
155.10602	3.4
157.10193	0.7
159.11658	4.1
161.13231	3.7
163.05965	4.3
163.14781	2.4
163.86836	0.7
173.11755	21.0
173.13243	3.3
175.14850	1.7
177.16319	1.3
184.07343	1.9
187.14787	2.6
189.11203	1.3
201.16455	0.9
203.31615	0.6
227.12759	4.7
229.14330	95.7
230.14670	2.4
243.21053	6.2
249.15916	0.8
261.22131	22.9
262.22318	0.7
265.19135	1.3
274.19180	3.4
317.24777	3.8
335.25766	75.4
336.26059	3.5
369.97272	0.7
379.29919	1.4
397.30850	1.7
415.31973	1.7
426.65146	0.6
471.34415	2.0
489.35696	73.8
490.35880	3.5
507.36737	5.9
508.36841	0.8
522.62469	0.7
534.41260	1.0
552.42102	0.9
561.41779	1.0
562.24976	0.8
579.43842	3.5
595.46289	1.5
604.46423	2.0
633.39246	0.8
787.43628	1.2
805.44269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	6.8
67.05479	1.5
69.03416	0.5
69.07044	0.5
70.06590	25.6
70.54750	1.9
71.08647	2.8
72.08160	0.8
74.06097	0.7
76.18057	0.4
79.05482	0.6
81.03410	0.6
81.07029	0.6
84.08128	0.8
85.10171	1.0
86.09701	0.6
88.07626	29.4
91.05457	1.2
93.07030	1.1
95.04935	1.1
97.02910	0.5
102.09174	23.0
103.09493	0.5
105.02691	0.4
105.03371	0.6
105.07021	0.7
109.10131	1.0
111.04396	0.5
119.08598	0.6
121.02856	2.9
121.03962	0.6
131.08540	0.5
133.02884	0.8
133.10110	0.5
139.03894	3.3
147.04424	1.3
149.02341	100.0
149.03401	6.5
150.02750	0.7
160.00099	0.5
175.03864	2.7
177.05458	2.2
180.04208	0.6
184.07317	1.0
191.07047	1.7
193.04956	53.5
212.23773	0.7
217.45973	0.4
217.80531	0.5
219.06505	2.8
237.07555	12.4
238.25308	0.6
256.26340	77.5
257.26782	1.2
267.72208	0.5
269.04486	1.2
294.39374	0.5
297.03879	1.1
300.28986	1.5
313.07074	1.1
341.06525	4.6
343.08115	1.2
350.07526	0.5
358.93634	0.4
359.07751	2.0
385.09195	7.8
429.12003	1.9
533.10834	1.3
577.13324	8.8
621.16022	16.6
640.34021	0.8
758.44934	0.6
832.39172	2.8
850.39966	98.2
851.40326	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	848.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	3.7
61.02924	11.8
64.56892	0.6
65.03928	2.9
67.05498	100.0
68.05833	0.9
69.03422	3.3
69.07063	8.6
69.50836	4.3
70.06559	0.6
71.04986	3.6
71.08611	1.3
73.02895	3.5
79.05486	21.2
81.03408	2.0
81.07049	40.3
82.07359	0.8
83.04975	0.8
83.08611	8.8
85.02406	1.2
85.02897	14.3
85.06544	3.2
91.03956	8.6
91.05473	15.1
93.07034	28.9
94.07375	0.6
95.04944	3.1
95.08596	29.5
96.04465	0.8
97.02873	8.9
97.06523	1.9
97.10162	2.5
98.06051	1.5
99.04466	1.0
99.08079	1.1
105.04486	0.6
105.07014	8.5
107.06062	1.9
107.08578	16.1
109.02834	0.7
109.06490	1.2
109.10144	77.9
110.10471	1.3
111.08061	3.3
115.03993	0.7
117.07003	4.3
119.08570	12.7
121.10125	11.8
123.11691	4.4
125.07108	6.9
125.09611	2.2
127.03869	3.3
131.08554	6.6
133.07568	0.8
133.10089	6.4
135.11673	8.8
137.09579	3.2
137.13260	1.7
145.04918	4.6
145.10109	4.9
147.11668	4.2
149.13213	5.3
155.10602	3.4
157.10193	0.7
159.11658	4.1
161.13231	3.7
163.05965	4.3
163.14781	2.4
163.86836	0.7
173.11755	21.0
173.13243	3.3
175.14850	1.7
177.16319	1.3
184.07343	1.9
187.14787	2.6
189.11203	1.3
201.16455	0.9
203.31615	0.6
227.12759	4.7
229.14330	95.7
230.14670	2.4
243.21053	6.2
249.15916	0.8
261.22131	22.9
262.22318	0.7
265.19135	1.3
274.19180	3.4
317.24777	3.8
335.25766	75.4
336.26059	3.5
369.97272	0.7
379.29919	1.4
397.30850	1.7
415.31973	1.7
426.65146	0.6
471.34415	2.0
489.35696	73.8
490.35880	3.5
507.36737	5.9
508.36841	0.8
522.62469	0.7
534.41260	1.0
552.42102	0.9
561.41779	1.0
562.24976	0.8
579.43842	3.5
595.46289	1.5
604.46423	2.0
633.39246	0.8
787.43628	1.2
805.44269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.1
65.03928	6.4
67.05501	93.7
69.03429	10.0
69.07063	35.2
69.51608	11.7
69.52037	10.4
71.04987	6.7
71.08601	3.1
73.02886	3.5
79.05489	84.5
81.03416	11.7
81.07051	100.0
83.04967	10.9
83.08617	19.8
85.02896	7.1
85.06541	4.2
86.09689	5.7
91.05476	88.5
93.07040	83.4
95.04985	16.1
95.08029	5.0
95.08601	60.0
97.02888	7.0
97.06518	11.9
97.10136	6.6
98.93347	2.6
99.08086	6.9
103.05469	3.5
105.04520	3.4
105.07024	87.6
107.04963	5.9
107.08591	48.3
109.02862	2.8
109.06496	8.6
109.10144	27.0
111.04398	2.8
111.08096	6.4
115.05441	6.2
117.07021	40.3
119.08577	60.4
119.88138	2.5
121.06524	4.0
121.10133	33.3
123.08042	7.9
123.11721	5.9
125.09626	3.7
127.03945	3.6
128.06203	9.7
129.05493	3.2
129.06998	27.8
131.08565	51.2
133.10118	42.7
133.11061	3.6
135.08069	5.5
135.11682	18.9
141.06996	9.6
142.07782	5.7
143.08560	27.6
145.10107	40.9
147.08076	4.1
147.11687	31.6
149.09583	6.3
149.13217	13.8
153.06941	2.5
155.08546	12.9
156.09398	3.6
157.10104	24.6
159.11696	29.4
161.09671	3.1
161.13232	19.2
163.11113	5.9
166.07899	3.2
166.78838	2.8
167.08519	7.5
169.10130	17.8
171.11703	21.5
173.13232	17.0
175.11177	3.2
175.14885	6.0
177.12752	3.2
179.14255	4.8
181.10094	10.3
183.11678	16.5
184.07263	12.0
185.13210	14.5
187.14835	7.7
189.16277	2.8
193.10085	3.9
195.11667	7.8
196.12604	2.5
197.13304	13.6
199.14798	10.6
201.16327	6.4
209.13295	8.2
211.14806	6.9
213.16397	7.2
221.13252	4.0
223.14857	7.5
225.16537	4.9
229.14262	6.2
231.17342	3.0
235.14771	4.5
237.16356	4.5
239.18013	3.6
241.19571	12.7
257.18927	6.4
259.20569	28.3
269.17487	8.6
275.20105	7.0
289.21524	2.9
323.23648	3.1
333.24310	24.2
335.25787	5.9
349.24170	3.8
365.28522	3.4
379.30139	3.1
513.35504	3.3
515.38031	3.2
517.39502	5.5
527.37183	15.7
607.43597	5.1
609.45093	45.7
625.43939	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71478	1.6
61.02937	1.9
65.03929	4.7
67.05501	52.9
69.03407	10.4
69.07064	32.3
69.49675	8.1
69.50099	8.5
71.04990	3.4
73.02915	1.9
75.74924	1.5
79.05488	50.1
81.03405	10.2
81.07055	47.6
83.04974	5.7
83.08620	17.7
85.06549	3.8
87.04472	4.1
91.05479	49.2
93.06471	3.0
93.07043	47.4
95.04964	15.2
95.08604	29.9
97.02885	6.7
97.06513	4.9
97.10163	20.1
105.07021	45.6
107.04960	10.4
107.08586	30.6
109.06499	5.0
109.10150	15.6
111.08023	2.8
115.05421	3.1
117.07008	20.1
119.04921	2.1
119.08581	45.8
121.06490	4.7
121.10152	17.6
123.08061	4.8
123.11732	3.8
125.09652	12.7
128.06296	3.4
129.06969	13.2
130.07779	3.6
131.08575	28.4
133.06487	5.5
133.10127	31.4
135.08054	5.4
135.11693	12.6
136.06183	50.8
137.09589	4.0
141.07048	4.9
142.07765	5.0
143.08551	12.2
143.94217	1.8
145.10100	23.4
147.08064	7.4
147.11696	22.9
149.09599	4.3
149.13283	4.2
154.07649	2.1
155.08528	3.8
157.10123	14.1
159.11678	16.7
161.09633	4.3
161.13266	16.3
163.11189	3.5
167.08589	2.8
169.10057	8.3
171.11659	10.8
173.13188	10.1
175.11174	3.5
175.14836	8.1
177.12766	3.2
181.10117	3.2
183.11691	5.6
184.07324	3.8
185.13284	7.9
187.14818	5.6
189.11203	9.7
189.12679	2.3
193.12036	2.3
195.11746	3.6
195.76968	1.7
197.13211	4.0
199.14821	5.8
209.13217	3.3
213.16466	3.4
223.13197	17.4
227.12747	10.6
227.18109	2.6
231.21005	4.3
234.37245	1.8
235.26004	1.8
239.17949	3.4
241.19475	22.6
245.19029	2.4
249.14793	3.0
257.19064	3.0
259.20572	41.8
260.21057	2.7
267.15924	5.1
273.18524	11.7
275.20120	4.7
277.21692	1.9
291.19516	100.0
292.19943	3.4
299.23660	2.8
313.27255	3.6
315.23239	8.8
333.24225	41.5
349.23929	3.6
365.23248	34.5
379.30017	4.2
511.34064	2.0
525.35651	6.2
531.38477	2.8
543.36700	11.8
549.39172	3.8
605.41730	4.2
623.33276	3.2
623.42969	43.7
641.43842	8.6
676.46399	3.5
786.63190	1.8
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
60.04535	15.7
61.02892	3.5
65.03908	4.9
67.05504	82.2
69.03414	8.2
69.07076	33.3
71.04978	8.5
79.05489	82.8
81.03428	14.3
81.07055	100.0
83.04983	11.6
83.08620	16.9
85.02890	7.5
85.06526	5.5
86.09682	6.2
91.05477	82.9
93.06468	6.1
93.07039	87.8
95.04980	15.2
95.08607	67.9
97.02889	5.7
97.06487	14.8
97.10191	5.0
99.08087	3.2
103.28525	3.1
105.07027	79.4
107.04980	6.2
107.08594	51.6
109.06485	8.2
109.10158	19.9
111.08087	9.0
111.55241	3.0
115.05446	3.8
117.07023	29.5
119.08579	48.7
121.06535	7.0
121.10143	27.3
123.08025	8.2
123.11673	8.6
125.09624	4.8
128.06204	5.9
129.06999	24.0
131.08560	44.5
133.06404	3.7
133.10132	45.5
135.08015	7.1
135.11682	24.0
141.06940	5.8
142.07806	3.4
143.08585	20.3
144.13805	5.3
145.10139	34.3
147.08047	4.8
147.11664	27.2
149.09618	11.3
149.13232	13.2
155.08527	14.1
156.09279	3.8
157.10056	16.8
159.11703	26.7
161.09653	3.3
161.13239	12.9
163.03889	3.5
163.11124	7.5
169.10112	15.0
171.08060	2.8
171.11658	16.0
173.09627	3.4
173.13257	12.4
179.08382	3.3
181.10097	7.7
183.11662	12.0
184.07330	9.1
185.13220	11.2
187.14841	7.1
189.12685	3.8
193.10037	3.6
195.11711	8.3
197.13272	12.6
199.14864	6.6
201.12520	3.7
207.11665	3.6
211.14795	6.2
223.14769	6.0
241.19582	11.9
255.15892	13.0
257.19003	8.3
259.20544	34.2
265.85202	3.8
269.17462	13.1
275.20093	17.3
298.27542	4.1
315.23328	4.7
333.24207	27.5
335.25873	3.5
349.23740	11.1
350.23779	3.4
398.36475	19.7
435.32498	3.4
503.95868	3.1
509.36411	6.0
513.35834	24.8
515.37842	4.3
527.37219	35.0
533.40295	5.2
545.38074	6.9
567.39807	3.4
607.43585	20.4
625.44714	25.8
840.54254	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63847	1.8
61.02902	2.0
65.03935	5.8
67.05502	75.7
69.03413	5.6
69.07061	30.2
69.40874	4.7
69.41294	15.7
70.06586	5.8
71.04976	6.3
77.03937	2.0
79.05488	69.4
81.03432	10.3
81.06573	4.9
81.07053	84.5
83.04969	11.7
83.08607	13.1
85.02906	3.0
85.06535	10.2
87.04440	2.2
91.05476	100.0
93.07036	71.3
95.04962	18.2
95.08597	42.3
97.02898	3.5
97.06523	8.8
97.10167	5.2
98.15855	2.1
103.05462	3.1
105.07021	99.0
107.04949	8.9
107.08591	54.3
109.06496	10.2
109.10152	49.9
109.10900	2.7
111.08074	4.0
115.05418	4.0
117.07010	24.4
119.08569	52.5
121.06504	6.7
121.10130	23.8
123.08060	7.2
123.11707	9.8
125.09598	3.4
127.07567	2.3
128.06215	4.0
129.07002	15.4
131.08548	27.2
133.06479	4.7
133.10123	89.4
135.08026	7.7
135.11708	16.4
137.09598	5.6
141.06963	2.6
142.07726	3.5
143.08528	13.6
145.10110	24.1
147.08029	5.2
147.11653	31.8
149.09650	6.4
149.13284	7.1
151.11177	31.7
155.08560	4.9
157.10077	13.0
159.08038	2.6
159.11707	21.6
161.09607	5.9
161.13235	17.0
163.11188	4.4
167.08664	3.1
169.10124	5.9
169.12256	6.8
171.11682	10.1
173.09692	2.7
173.13252	13.3
175.11255	3.9
175.14836	9.0
177.12761	3.3
179.10649	3.4
181.10074	2.3
181.76964	1.9
183.11732	6.5
184.07439	2.9
185.13240	10.2
187.14854	3.5
189.12701	2.5
195.11765	2.8
197.13310	2.3
199.14856	5.9
201.12863	3.0
203.14307	2.3
215.12714	3.4
231.21021	3.9
239.17996	3.3
241.19493	17.6
245.18970	5.2
253.14319	72.5
257.19113	4.3
259.20581	50.8
263.20026	4.6
271.15381	5.0
273.18570	14.8
275.20010	4.5
277.21851	3.0
287.20038	2.6
291.19537	18.7
297.22009	2.2
307.19269	2.1
315.23172	5.5
333.24170	43.2
334.24854	2.0
335.25705	4.5
347.22253	2.7
365.23267	27.4
409.30762	3.5
419.29153	2.6
437.30609	3.1
455.31293	4.5
483.34946	2.2
501.35480	4.3
511.34134	15.7
513.36700	4.2
529.35156	16.8
531.38232	4.3
549.39221	3.5
605.42340	9.7
623.43115	42.0
641.44019	8.4
770.53900	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	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.1
65.03944	2.6
67.05503	38.2
68.48947	1.3
69.03439	7.4
69.07063	22.7
69.46494	14.2
71.04976	2.9
71.08633	3.7
79.05493	34.1
81.03404	13.4
81.07053	30.1
83.04988	3.9
83.08618	13.5
85.02879	2.0
85.06506	1.9
85.10160	1.5
86.09712	2.9
87.04453	3.1
89.05960	1.6
91.05475	38.0
93.07042	31.7
95.04956	12.3
95.08595	22.9
97.02887	6.4
97.06533	4.8
97.10151	12.5
105.07027	35.7
107.04957	7.4
107.08584	21.6
109.06560	4.0
109.10155	12.9
111.08059	2.7
115.05469	1.9
117.07003	11.5
119.08578	27.3
121.06489	2.5
121.10141	10.8
123.08068	4.1
123.11731	2.6
125.09600	8.8
126.37731	1.2
128.06168	2.0
129.07007	11.3
131.08582	16.9
133.06500	1.7
133.10139	17.7
135.08049	2.8
135.11687	5.6
136.06181	100.0
137.09590	1.6
141.06993	2.1
142.07739	1.8
143.08595	9.0
145.10100	14.9
147.07973	7.1
147.11685	14.9
149.09608	3.4
149.13255	4.8
155.08566	2.3
157.10149	8.3
159.07986	1.6
159.11681	8.0
161.09610	3.0
161.13219	10.0
163.11122	1.9
165.08990	1.8
169.10149	3.3
171.11673	8.3
173.13303	4.2
175.11244	2.3
175.14819	4.1
177.12680	2.0
183.11661	4.0
184.07315	8.1
185.13316	6.0
189.11226	6.2
193.12231	2.7
195.11722	1.8
197.13231	2.2
199.14757	2.8
205.12328	2.3
213.16484	2.6
223.13202	13.3
227.12799	6.9
237.16672	1.8
239.17961	1.9
241.19510	12.1
259.20578	22.6
260.20648	1.7
261.18192	1.6
267.15909	6.2
273.18488	8.6
275.20047	4.3
291.19531	67.3
292.19659	2.1
299.23700	2.7
313.27399	5.3
315.23221	5.0
333.24255	28.8
349.23489	1.6
351.25919	1.6
365.23215	24.5
379.29974	3.1
451.31253	1.5
485.86136	2.1
505.38895	1.6
519.67902	1.4
525.35358	5.9
529.35187	1.7
543.36493	6.6
549.39551	1.5
605.41608	3.3
623.42999	26.9
641.43713	5.8
658.44952	2.7
676.46094	8.0
749.38367	1.7
820.50055	3.6
838.50610	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	834.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.3
63.65617	0.2
65.16169	0.2
67.05500	0.3
69.03420	1.4
69.07060	1.1
70.06570	0.3
70.96946	0.2
70.97289	0.3
71.01350	0.3
71.04987	6.0
73.02905	0.2
75.04462	0.3
77.03945	0.1
79.05486	1.5
81.03416	1.0
81.07043	0.4
83.04967	1.1
85.02898	7.3
87.04440	0.2
89.03901	2.0
91.05465	0.5
95.04952	0.6
97.02888	3.3
97.06521	6.5
99.04454	0.6
101.02322	0.2
105.06997	0.2
107.04950	1.0
109.02876	0.4
109.06472	0.2
111.04434	1.2
117.02579	0.3
117.03373	3.1
117.06997	0.2
119.04931	0.6
123.04419	0.4
127.03894	0.4
129.05458	2.0
129.06998	0.3
131.08539	0.3
135.04402	9.4
137.04976	0.3
137.05971	4.3
141.06938	0.3
143.08545	0.3
145.02832	7.7
145.06508	0.2
147.04375	1.1
147.06497	0.5
157.06503	0.3
157.10048	0.3
159.07959	0.2
160.05202	0.4
161.05952	0.9
163.03888	100.0
164.04192	1.1
164.09229	0.2
165.05518	0.3
165.07069	0.1
167.08537	0.3
169.06500	0.2
171.07962	0.4
173.06000	0.4
175.03932	0.2
175.07512	0.4
181.04926	1.5
184.05104	0.2
185.05928	0.3
185.09590	0.4
186.05443	0.2
187.07523	0.4
187.11208	0.3
189.05435	0.2
189.09091	1.6
191.06987	0.2
193.08508	0.2
195.08087	0.5
197.09544	0.2
199.07503	0.3
200.04515	0.2
201.09082	0.7
203.07074	0.3
203.10631	0.2
203.45647	0.2
213.09045	0.8
215.07053	1.7
215.10616	2.6
216.11209	0.2
217.08620	0.4
223.07516	0.2
225.09157	0.2
229.12325	0.2
231.10211	0.7
233.11705	10.4
234.12007	0.2
241.08530	0.4
243.10172	0.3
257.11652	0.2
259.09647	6.9
261.11246	0.3
271.13177	0.2
273.07507	0.2
277.10696	0.7
280.08978	0.2
285.14868	0.3
287.12863	0.3
289.14270	0.4
291.08701	0.3
293.15289	0.5
307.08112	0.6
309.09631	1.0
311.13086	0.3
311.16382	2.3
325.09146	16.7
329.17426	6.0
347.18481	0.5
353.17523	0.2
358.00046	0.2
420.91052	0.2
421.14877	0.4
439.21063	0.3
457.21991	0.4
471.14935	0.3
516.98737	0.2
597.21973	0.2
666.88171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.0
61.02628	0.7
61.02921	8.2
65.03941	0.7
67.05500	52.2
68.05839	0.9
69.03424	1.4
69.07061	4.8
71.04987	2.3
71.08630	14.1
71.10178	0.9
71.10526	0.4
73.02907	2.5
78.82977	0.4
79.05479	0.7
81.03421	1.1
81.06570	0.7
81.07051	13.5
83.04972	0.7
83.08617	8.1
84.17497	0.4
85.02899	10.7
85.06543	1.4
85.10175	8.8
86.09707	1.0
87.04474	0.7
88.87992	0.4
89.06020	1.1
91.03949	7.3
91.05480	2.8
93.07019	1.9
95.04967	0.6
95.08600	13.5
96.04475	0.4
97.02886	5.9
97.06463	0.6
97.10172	2.7
99.04418	0.6
99.08067	0.4
99.11761	0.8
101.05992	0.4
103.07583	0.6
104.41679	0.4
107.08593	0.9
109.02894	0.6
109.10148	57.0
110.10471	1.0
111.08060	2.4
111.11689	0.5
115.03918	0.7
119.08574	3.8
123.11699	2.4
124.99935	0.6
125.09585	0.4
125.13294	0.5
127.03890	2.7
137.09608	1.8
137.13249	0.7
145.04948	3.2
155.10658	3.3
162.07545	0.4
163.06026	3.9
173.11731	20.0
178.70268	0.4
178.75896	0.4
180.08693	0.4
184.07339	2.9
229.14336	100.0
230.14644	2.0
239.23712	1.5
257.24631	1.7
313.27344	74.8
314.27661	2.7
373.18378	0.4
467.37308	62.0
468.37665	3.3
761.33936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02352	0.2
65.03950	0.1
66.27126	0.1
67.05506	0.5
69.03427	1.3
69.07054	0.9
70.06577	0.1
71.01347	0.2
71.04991	5.9
71.62391	0.1
71.62794	0.2
73.02909	0.2
76.59230	0.1
79.05491	1.3
81.03421	0.7
81.07047	0.6
83.04982	1.3
83.08648	0.1
84.10764	0.1
85.02903	7.6
86.03276	0.1
87.04470	0.1
89.03397	0.2
89.03907	2.1
91.05468	1.0
92.45789	0.1
93.07036	0.2
95.04960	0.5
95.08604	0.2
97.02890	3.7
97.03519	0.2
97.06528	5.4
98.06842	0.1
99.04469	0.6
101.02366	0.1
103.05534	0.1
105.07005	0.3
107.04956	1.3
107.08615	0.2
109.02874	0.4
109.06509	0.1
109.10140	0.1
111.04446	1.4
112.90082	0.1
113.06040	0.1
113.80563	0.1
115.05429	0.1
117.03387	2.8
119.04938	0.4
119.08531	0.1
119.10362	0.1
121.10113	0.2
123.04419	0.2
127.03933	0.5
129.05478	2.3
129.06989	0.2
131.04887	0.1
131.08557	0.2
135.04410	9.3
136.04646	0.1
137.05977	3.6
141.06961	0.2
143.08508	0.2
145.02838	7.6
145.06517	0.3
146.08003	0.2
147.04410	0.4
147.06503	0.8
147.07660	0.1
147.08134	0.1
147.11743	0.1
149.05975	0.5
151.03835	0.1
157.06528	0.2
157.10091	0.2
159.07944	0.2
161.05992	0.4
163.03896	100.0
164.04256	1.5
164.09152	0.1
165.05492	0.2
167.08459	0.2
169.06520	0.2
169.10118	0.3
171.08070	0.3
173.02342	0.3
173.05988	0.3
173.09613	0.2
175.07491	0.2
177.05518	0.2
181.04938	1.8
185.05945	0.3
185.09624	0.4
186.05470	0.3
186.06854	0.2
187.07585	0.2
187.11075	0.2
189.09192	0.5
191.06966	0.1
193.08527	0.2
193.12379	0.1
195.08075	0.3
197.09618	0.4
199.07581	0.3
199.11185	0.1
201.09056	0.5
203.07027	0.2
203.10674	0.2
204.27596	0.1
205.12236	0.2
207.02953	0.2
211.11218	0.2
213.09073	0.6
214.09775	0.2
215.07121	1.1
215.10666	2.3
217.08530	0.1
229.08597	0.1
229.12126	0.1
231.10126	0.7
232.10887	0.4
233.11711	8.4
234.12019	0.2
235.10995	0.1
239.10686	0.2
241.08624	0.3
243.10170	0.2
257.11795	0.1
259.09644	4.1
261.11270	0.5
265.15778	0.1
267.13693	0.2
267.16083	0.2
271.13199	0.2
273.07440	0.2
277.10617	0.2
285.14902	0.3
287.12796	0.3
289.14355	0.3
291.08603	0.3
293.15298	0.6
298.15109	0.1
300.50827	0.1
301.17786	0.1
303.15823	0.2
307.08044	0.9
309.09656	1.0
310.15594	0.1
311.16403	2.4
323.19739	0.1
325.09167	18.9
326.09528	0.4
327.16101	0.1
328.16846	0.1
329.17459	6.3
330.17755	0.2
341.17740	0.1
347.18481	0.3
353.17410	0.2
357.17081	0.2
403.13953	0.2
405.15555	0.1
421.15079	0.7
421.20160	0.2
439.21204	0.4
457.22177	0.3
471.15002	0.2
475.22284	0.2
489.49094	0.1
491.21506	0.2
869.01898	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99405	4.9
67.05505	40.4
67.10421	4.8
68.96922	5.4
69.07056	23.4
71.04963	6.8
71.08584	5.1
71.63804	8.1
79.05500	43.3
81.07066	44.1
83.08619	13.9
84.04502	16.1
86.09692	17.3
91.05481	44.8
93.07046	45.6
95.08610	39.7
96.92173	5.7
96.96574	4.9
97.06506	6.6
105.07022	44.1
107.08598	29.0
109.10139	19.8
117.06995	15.8
119.08553	30.3
121.10143	20.7
124.47782	5.1
125.00008	9.0
129.06995	13.9
131.08554	28.0
133.10121	23.4
135.11667	11.5
141.06960	7.9
143.08566	15.0
145.10080	17.0
147.11652	13.8
149.13239	5.3
155.08527	13.5
157.10109	17.4
159.11674	17.2
161.13269	6.9
169.10085	10.4
171.11655	11.8
173.13225	14.2
175.06245	4.9
181.10144	6.0
183.11717	12.2
184.07309	49.4
185.13269	11.2
195.11661	12.2
197.13213	10.5
199.14799	7.1
209.13107	6.2
211.14914	6.4
228.01352	5.6
239.17854	5.7
241.19618	5.1
252.63911	5.1
257.18869	6.4
333.23950	9.4
517.40228	14.6
591.44196	10.0
598.42651	6.5
609.45245	100.0
609.54285	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	3.5
60.08148	1.7
61.02928	11.7
65.03909	1.5
67.05505	63.5
67.48009	0.5
69.03403	1.8
69.07063	6.2
69.59801	4.2
71.04966	2.4
71.07369	1.0
71.08632	20.9
73.02920	3.6
79.05479	1.1
81.03404	0.7
81.07054	18.2
82.23763	0.6
83.04969	0.6
83.08621	10.9
85.02448	0.7
85.02904	12.1
85.06519	2.2
85.10183	12.5
86.09707	6.3
87.04438	0.9
89.06016	1.0
91.03957	7.4
91.05474	3.7
93.07041	2.9
95.08608	16.9
97.02379	0.7
97.02890	7.2
97.10168	3.9
98.20753	1.2
98.98454	0.9
99.04427	0.8
99.11720	0.7
103.07517	1.3
104.10748	0.8
107.08557	1.6
109.10155	71.0
110.10452	0.9
111.08053	2.6
111.11659	1.1
113.01451	0.6
119.08574	4.8
121.44126	0.6
123.11723	2.8
124.99999	3.8
127.03917	3.1
137.09566	2.9
137.13202	1.2
141.72081	0.6
145.04982	3.1
155.10605	2.8
163.06018	3.8
173.11737	20.6
184.07341	18.9
184.08984	0.9
214.32883	0.6
216.93176	0.6
229.14352	82.7
230.14496	0.9
236.60934	0.6
239.23668	1.6
257.24762	2.0
268.61807	0.6
297.99200	0.6
313.27362	91.0
314.27655	1.4
320.27374	0.6
373.18430	0.7
405.36603	0.6
460.21179	0.7
467.37338	100.0
468.37833	2.6
559.74457	0.7
737.97388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	17.4
57.07071	2.1
59.05005	7.4
61.02909	3.3
65.03922	4.1
67.05500	100.0
69.03426	9.8
69.06716	2.2
69.07066	35.8
70.90450	4.8
71.01344	3.1
71.04993	12.8
71.08627	2.2
73.02917	3.4
79.05490	57.8
79.05951	3.3
81.03413	70.7
81.07053	67.9
83.04977	15.8
83.08200	1.7
83.08620	23.1
85.02884	8.5
85.06531	7.0
87.04461	5.3
91.05476	55.8
93.07040	49.3
94.07384	1.6
95.04962	35.9
95.08599	35.2
97.02874	8.6
97.06516	14.3
97.10184	14.6
99.04426	4.5
99.08062	3.8
103.05487	2.8
105.04379	1.5
105.07022	39.5
107.04940	13.3
107.08593	25.7
109.02888	1.8
109.06500	9.7
109.10151	49.0
111.04458	3.3
111.08059	9.8
113.09679	2.1
115.05444	3.2
117.07004	14.1
119.04940	2.8
119.08568	32.1
121.06498	6.5
121.10126	18.2
123.04465	1.6
123.08044	5.1
123.11683	2.6
125.09599	12.0
127.03906	2.6
128.06187	3.0
129.05493	2.4
129.07004	14.6
130.07750	1.6
131.04890	2.2
131.08574	22.7
132.83115	1.5
133.06462	5.3
133.10121	20.9
135.08026	6.3
135.11681	11.9
137.09613	9.7
139.11176	2.0
141.06953	2.7
142.07771	2.6
143.08536	7.3
145.06458	4.7
145.10121	14.8
147.08011	6.6
147.09113	1.7
147.11678	13.4
149.09625	18.8
149.13246	3.9
151.11169	3.9
153.09065	1.6
155.08534	2.8
155.10666	2.3
157.10098	12.1
159.08061	3.2
159.11693	8.9
161.09627	3.0
161.13187	3.4
163.11154	12.3
165.09077	2.4
165.12697	1.6
167.08661	1.5
169.10074	4.0
171.11639	3.2
173.09509	2.7
173.11714	16.9
173.13261	4.4
175.11165	11.3
177.12662	2.9
179.14285	2.3
181.12213	2.4
183.11725	3.8
184.07315	1.7
185.13275	2.9
187.11220	1.8
189.11198	5.4
191.10620	4.3
193.12224	26.3
195.11868	1.5
195.13757	3.9
197.13258	1.7
199.13287	3.9
205.12056	2.1
207.11588	1.9
209.11617	3.3
211.13237	3.1
223.13211	2.8
225.14801	4.5
227.12711	11.8
229.14336	37.0
235.13301	1.7
241.14244	2.8
243.15993	2.0
249.14809	2.9
255.15868	4.4
257.18948	3.8
267.15887	58.9
268.16580	2.3
269.17444	6.5
273.14780	1.6
273.18524	3.5
275.20007	18.8
277.21533	2.4
283.15387	4.5
291.19604	5.3
301.16525	2.3
315.18164	2.1
329.21136	2.4
347.22144	1.8
349.23743	13.7
351.25177	1.8
365.23413	2.1
403.24689	3.9
421.25729	21.3
423.27271	5.6
429.26276	2.0
435.27283	3.9
437.25098	1.5
445.29565	2.8
447.27350	17.5
463.31021	1.9
503.33304	1.8
509.30688	2.1
541.35217	22.2
542.35236	2.7
545.38214	4.9
557.34131	2.3
559.35895	6.3
625.35846	2.0
627.46289	2.3
668.39270	2.0
798.02277	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	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.2
57.07075	1.0
61.02923	77.7
65.03929	1.9
67.05501	30.8
69.03423	26.7
69.03806	1.2
69.07074	7.6
70.80507	0.6
71.01350	3.5
71.05003	3.8
71.64352	1.1
73.02914	21.3
75.04475	2.1
77.03931	0.8
79.05053	1.5
79.05490	20.1
81.03416	22.3
81.07051	30.6
83.01327	1.1
83.04987	4.7
83.08612	3.5
85.02900	100.0
85.06541	1.7
86.03245	0.9
87.04463	3.8
91.03951	60.7
91.05477	13.2
93.07036	22.4
95.04975	4.8
95.08598	22.6
96.37874	0.7
97.02887	76.8
97.06508	2.0
97.10176	2.1
99.04453	13.3
99.08098	1.3
101.02374	5.8
103.03941	9.9
105.07022	10.8
107.04967	1.1
107.08595	13.2
107.32362	0.6
109.02879	10.8
109.06517	1.8
109.10147	12.7
111.04432	3.8
111.08080	1.3
113.05983	0.8
115.03911	6.2
117.05501	2.7
117.07024	6.2
119.08575	8.9
121.06529	1.0
121.10133	13.1
123.04449	0.7
123.08107	1.1
123.11709	5.0
125.09686	0.8
127.03910	39.9
129.05444	4.9
129.07014	1.8
131.08566	9.1
133.10135	7.9
135.11690	8.1
137.06067	0.8
137.09613	1.9
137.13275	2.6
139.03922	1.1
143.08574	2.2
145.04955	32.1
145.10117	8.5
147.11688	5.5
149.02364	1.2
149.09604	0.9
149.13261	5.7
151.11182	0.9
157.10118	2.2
158.14757	0.7
159.06566	2.2
159.11665	7.0
161.09628	1.1
161.13261	4.6
163.06015	19.5
163.11224	1.9
163.14857	3.2
169.10156	1.4
171.06570	2.4
171.11661	3.6
173.13269	6.3
175.14876	2.0
177.12721	1.0
177.16283	1.0
179.14287	1.3
183.06525	9.0
183.11697	1.3
185.13295	1.7
187.14790	3.5
193.05045	1.6
197.13213	1.3
199.14786	1.1
201.07582	7.1
201.12842	1.3
201.16339	1.3
205.15916	1.1
209.13388	1.2
219.08719	1.0
228.23286	2.1
241.07045	1.2
241.19540	1.2
243.21071	4.2
259.20544	3.4
261.22113	17.8
263.23804	0.8
277.21579	1.3
279.23279	1.1
285.22278	1.7
303.23166	3.6
315.23419	1.9
317.24606	1.3
323.23602	1.0
327.23209	1.4
331.22751	0.8
333.24289	1.3
335.25784	55.2
336.26062	1.1
341.24765	1.3
345.24384	1.3
351.23273	2.0
353.27020	0.9
363.25351	3.2
369.24231	4.7
377.26938	3.5
387.25189	1.6
389.26688	1.0
405.26532	1.6
419.27765	1.7
425.26715	1.1
431.27963	1.1
443.28006	4.2
461.29099	5.3
479.30106	8.7
497.31250	3.3
821.41486	1.2
832.56073	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	808.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	0.2
58.06605	0.5
59.97047	0.2
60.07866	0.4
60.08161	6.6
60.08465	0.3
64.95814	0.2
67.05495	0.6
71.07374	3.4
71.66321	0.3
81.07050	0.3
86.09701	31.6
98.98454	3.2
104.10745	2.5
109.10150	0.3
124.99998	22.5
143.01045	0.5
152.83865	0.2
171.97545	0.2
184.07329	100.0
185.07617	0.7
202.57321	0.2
313.27051	0.3
467.37021	0.4
503.65353	0.2
650.43817	1.8
685.43549	0.2
690.47302	1.3
754.54126	0.2
772.54993	1.5
790.55658	1.3
808.57074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	1.0
59.07366	1.0
59.25822	0.4
60.08162	5.1
67.05476	0.6
70.98319	0.4
71.07358	3.2
86.09698	32.5
91.17729	0.4
98.98462	3.2
104.10713	2.1
107.35823	0.4
109.85342	0.4
124.99994	20.6
138.77899	0.4
184.07326	100.0
185.07640	0.6
222.08913	0.6
224.59715	0.4
229.49055	0.6
524.57251	0.5
556.25635	0.5
650.43787	4.6
820.52789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	17.6
57.07075	1.9
59.04985	3.0
61.02924	3.5
65.03945	2.0
67.05501	68.3
68.63168	1.6
69.03429	10.9
69.06725	2.4
69.07069	29.8
71.01335	2.2
71.05005	7.3
71.62598	1.5
73.02910	2.1
79.05490	61.0
80.05816	1.9
81.03417	100.0
81.07054	69.8
82.03777	1.6
83.04977	15.0
83.08611	33.8
85.02901	8.1
85.06548	5.2
86.09714	1.7
91.05476	57.2
93.07039	56.9
95.04965	40.1
95.08603	36.0
97.02888	8.1
97.06512	14.8
97.10162	26.6
97.49503	1.4
99.04482	2.5
99.08103	2.3
103.05441	2.6
105.04521	1.7
105.07031	47.8
107.04957	17.3
107.08591	40.1
109.02915	2.2
109.06498	11.8
109.10146	22.3
111.04446	2.7
111.08072	11.3
113.05998	1.4
113.11006	1.5
115.05465	2.5
117.07015	16.7
119.04939	2.1
119.08575	33.3
121.06525	8.2
121.10146	25.8
123.04389	4.1
123.08096	7.7
123.11700	5.5
125.09616	19.0
127.03899	1.7
128.06233	2.2
129.06999	16.8
130.07796	2.1
131.08560	28.1
133.06487	6.0
133.10133	27.1
135.08014	7.8
135.11688	17.6
137.05948	1.7
137.09596	6.5
137.13245	1.9
137.41283	1.5
139.11118	2.5
141.07014	3.4
142.07787	4.5
143.08540	10.0
145.06502	8.0
145.10117	18.0
147.08057	5.9
147.11703	20.4
149.09607	17.2
149.13268	7.0
151.11153	5.7
153.09085	2.6
155.08562	5.3
157.10127	16.0
159.08029	2.7
159.11687	13.7
161.09663	5.1
161.13213	4.5
163.11160	12.4
165.12770	3.6
167.08559	2.1
169.10103	5.7
169.12230	1.8
171.08028	3.2
171.11684	5.6
173.09604	4.1
173.11755	4.0
173.13264	5.3
175.11156	10.7
177.12726	3.5
179.14307	1.7
181.10107	3.2
181.12175	2.7
183.11729	5.1
184.07324	2.6
185.09644	2.7
185.13266	2.5
187.11214	2.2
189.11220	8.9
193.12225	29.1
193.13864	2.2
195.11787	2.0
195.13815	4.6
197.13275	2.8
199.14755	1.9
201.12766	3.2
205.12234	3.1
207.13788	1.9
209.11604	2.3
211.13150	8.4
217.16069	2.2
223.13167	2.4
227.12747	23.0
227.14876	2.0
229.14288	10.6
236.08298	1.5
239.18184	2.7
243.13631	1.8
245.13855	3.1
247.20569	1.8
249.14854	4.7
253.14223	3.9
255.15816	13.5
257.18936	5.3
267.15903	97.4
268.16168	2.5
269.17474	24.0
273.15012	3.0
273.18442	2.9
275.20035	32.0
283.15335	2.2
285.17007	3.6
291.19543	13.3
293.11789	3.4
293.21176	4.2
297.22076	2.9
299.20004	3.4
301.13916	3.0
301.16928	3.5
317.21359	1.9
331.22641	4.0
349.23767	33.8
351.23196	2.7
363.22083	2.1
365.23248	6.1
367.24634	5.6
369.24176	4.5
403.24774	3.4
419.24475	2.2
421.25980	5.1
431.29071	2.5
435.27438	4.5
437.25192	5.7
443.27939	11.8
447.27371	32.6
449.30646	7.5
459.27368	4.2
461.28983	90.1
462.29169	2.2
467.31509	5.4
475.30554	1.9
477.28162	5.1
485.33051	1.7
493.31726	13.9
501.31827	4.5
513.36475	1.8
519.32788	4.2
523.34149	5.5
527.29913	1.6
541.35242	75.5
542.35303	5.9
559.36292	24.6
591.38391	4.4
764.10809	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	21.7
57.07065	3.9
57.95520	1.6
59.04996	3.9
60.04518	1.6
61.02919	4.2
65.03931	3.5
67.05502	92.5
68.05820	1.9
68.60250	1.6
69.03432	11.0
69.07066	29.4
69.25854	1.6
69.78696	8.3
69.79106	4.3
71.01337	1.6
71.04997	14.1
71.08630	1.9
73.02885	2.9
73.06573	2.0
79.05490	68.3
81.03414	100.0
81.07055	80.3
82.04189	1.5
83.04977	16.0
83.08617	29.8
85.02896	8.6
85.06544	4.7
87.04453	3.5
87.46522	1.8
91.03934	2.1
91.05479	73.4
93.07038	61.4
95.04966	37.9
95.08603	42.4
96.08917	2.2
97.02903	9.1
97.06536	14.3
97.10152	15.6
98.20715	2.8
99.08073	5.8
103.05470	2.6
105.03348	2.0
105.07027	62.7
107.04959	13.0
107.08591	43.3
109.02889	2.6
109.06529	12.9
109.10147	33.6
111.04422	3.2
111.08067	14.3
115.05445	4.7
117.07001	21.2
119.08575	53.2
121.06499	8.7
121.09328	1.9
121.10148	33.8
123.08036	9.1
123.11697	5.0
125.09629	16.4
127.03915	2.9
128.06226	2.6
129.05524	3.6
129.06995	24.3
131.04874	1.9
131.08562	36.1
133.06476	6.6
133.10123	35.8
135.08051	8.5
135.11671	12.0
137.09616	6.0
141.06940	3.9
142.07764	5.6
143.08577	12.7
145.06459	5.0
145.10129	27.9
145.54796	2.3
147.08009	5.0
147.11691	26.0
147.52328	1.8
149.09641	16.0
149.13242	9.3
151.11208	2.9
153.09067	2.0
155.08505	9.4
156.09267	2.6
157.10114	20.6
159.08018	3.6
159.11668	20.1
161.09564	4.2
161.13225	9.7
163.11154	9.8
163.14859	2.2
165.12788	1.9
167.08582	2.1
169.10124	8.1
170.10457	1.7
171.08044	1.9
171.11661	11.6
173.09615	2.1
173.11748	5.7
173.13260	10.9
175.11197	14.3
175.14818	4.8
177.12761	4.1
179.14323	3.7
181.10162	4.6
183.11684	5.0
184.07312	4.0
185.13306	9.8
187.11177	2.0
187.14745	3.5
189.11234	8.5
189.12671	2.4
193.12239	28.0
195.11771	3.7
195.13757	6.3
197.13309	4.2
199.11197	1.8
199.14824	5.3
201.12646	2.0
207.11687	2.2
207.13623	2.3
209.13251	3.4
211.13225	11.9
211.14948	2.8
217.15886	4.4
221.13327	1.8
223.14929	2.3
225.14778	2.5
227.12729	11.6
229.14316	11.8
239.17972	2.4
241.19525	3.5
247.20665	2.0
249.14784	4.0
257.18924	4.7
259.20502	11.1
267.15900	67.1
269.17416	14.0
273.18423	3.4
275.20026	13.2
285.16974	4.2
293.21057	6.6
299.20093	2.4
299.23743	3.7
313.21838	2.7
315.23337	2.4
333.24258	5.7
339.23032	2.1
341.24731	3.1
349.23941	8.3
350.24017	2.0
351.23068	3.7
367.24594	3.1
369.24161	5.8
387.25168	3.6
403.24988	2.3
405.26462	3.1
417.26343	3.1
421.26160	9.6
433.30945	4.6
435.27338	4.0
439.26733	2.9
443.27850	7.4
447.27228	3.1
449.30206	2.6
451.32065	7.1
461.29010	32.2
469.33099	3.2
473.28885	2.2
493.31479	6.3
507.34677	2.7
525.35803	28.1
529.38739	3.7
541.34967	8.7
543.36841	53.5
557.38196	6.0
559.36084	10.7
575.39221	9.2
609.36243	4.8
611.47290	2.6
626.44763	2.5
644.44995	4.2
806.50006	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
57.07067	1.7
59.04985	1.4
61.02916	2.1
62.06079	2.0
65.03943	0.9
67.05504	23.7
68.96819	0.8
68.99796	1.2
69.03080	1.1
69.03432	13.2
69.07064	17.8
69.81933	3.9
69.82345	1.8
70.06593	5.3
71.01352	1.4
71.05000	9.3
71.08636	10.7
72.08157	7.9
73.02908	3.2
79.05494	18.8
81.03416	18.9
81.07057	27.5
83.04990	6.1
83.08620	12.9
84.08125	3.5
85.02906	14.1
85.06557	2.0
86.06068	37.4
87.00844	2.4
87.04456	1.4
91.05479	17.0
93.07047	20.4
95.04969	8.4
95.08611	12.3
96.08140	7.7
96.54071	0.9
97.02906	8.1
97.05927	1.2
97.06531	16.0
97.10165	3.3
98.06050	2.2
98.09689	20.0
98.20813	1.3
99.04465	5.6
99.08101	10.1
100.07610	1.1
101.06026	1.1
105.01903	1.5
105.07033	11.4
107.04939	3.9
107.08591	11.9
108.08125	4.2
109.02869	7.2
109.06502	4.6
109.10157	6.9
110.09637	1.6
111.04444	1.1
111.08068	5.3
113.06004	1.4
114.09166	2.4
115.05431	1.0
116.04682	1.3
116.10732	96.7
117.07044	4.8
119.08601	6.6
121.06477	2.9
121.08875	1.0
121.10133	6.5
122.09675	5.8
123.08051	2.5
123.11657	1.7
125.09606	2.9
126.09140	1.1
127.03923	17.7
129.01801	1.0
129.05472	2.5
129.07004	3.8
131.08543	4.8
133.06508	1.0
133.10130	6.2
134.09677	1.6
135.08052	2.5
135.11665	4.1
136.11201	1.5
137.05998	1.0
137.09581	1.0
138.09129	1.5
139.07538	1.4
140.10693	3.2
141.06955	0.9
142.12297	1.9
143.08562	1.4
143.10664	4.0
145.04955	2.6
145.06418	0.8
145.10100	3.0
147.04526	1.0
147.08052	2.1
147.11658	3.6
149.09601	1.8
149.13269	12.7
151.11169	1.4
152.10721	1.9
154.15825	2.4
155.08505	1.0
157.10123	3.3
159.02946	1.7
159.11668	3.0
161.09634	1.4
163.11208	2.4
166.15926	2.8
167.14302	5.1
169.04991	1.1
173.09578	1.1
175.11192	3.7
177.12700	2.0
187.05981	2.3
193.12332	5.4
195.13788	3.0
196.16870	4.2
211.13243	6.1
213.03920	1.5
214.18030	57.8
215.18330	1.4
225.11157	1.1
227.12790	1.7
229.14421	2.1
231.05003	2.0
231.15840	9.0
238.17976	2.1
239.16360	4.6
250.21584	1.1
257.17334	4.5
264.23270	1.5
267.15842	4.4
269.17462	4.1
273.18375	3.1
274.21579	2.0
275.20081	1.6
283.15533	2.2
285.16760	4.4
292.22797	6.2
299.18478	3.8
301.16498	2.9
310.20364	1.6
310.23801	29.3
327.17950	0.9
328.24805	7.4
329.12329	1.6
347.13428	2.0
347.22040	1.1
349.23831	1.1
353.50516	1.1
364.15894	0.9
365.22800	1.2
370.25909	1.1
380.94019	1.0
396.27441	1.9
414.28503	7.6
418.24051	1.1
437.25159	1.9
439.26517	1.7
442.28000	9.8
443.27820	1.3
460.29059	100.0
461.29135	4.0
462.23334	16.8
479.30081	1.7
493.27109	1.0
494.34058	1.4
495.29291	1.2
534.83765	1.0
540.35291	6.6
558.28485	1.8
558.36450	24.9
622.34247	3.9
662.33380	1.4
664.35229	4.8
690.33276	1.9
708.34326	53.5
709.34546	1.6
711.72662	1.2
762.42316	2.7
806.41730	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	805.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
57.16192	0.5
65.03936	1.2
67.05502	0.9
67.33477	0.5
68.16013	0.5
69.03428	2.3
70.06575	0.7
71.63622	1.0
79.05489	2.0
81.03429	1.2
81.05782	0.6
81.07040	1.2
82.06564	0.9
84.08147	0.8
85.02896	2.0
86.43146	0.5
89.03918	0.8
91.05482	2.0
92.04997	0.6
93.05722	0.6
93.07034	2.4
94.06551	4.8
95.04945	0.7
95.07347	1.8
95.08585	0.6
96.08128	4.4
97.02897	2.9
97.06548	0.8
103.05444	0.8
105.07043	0.9
105.18243	0.5
106.06562	1.5
108.04491	2.0
108.08114	7.8
110.09680	6.6
111.04328	0.5
115.05434	0.6
116.04954	1.7
119.08429	0.5
120.04462	3.5
120.08109	6.7
121.06503	0.6
122.06016	3.5
122.09679	0.9
123.04440	0.7
124.07585	4.2
127.03916	1.8
129.07025	0.6
132.04398	0.9
134.06020	3.1
135.04413	0.6
136.07570	7.8
137.05988	1.2
138.05481	0.6
138.09131	9.4
144.04462	3.4
145.04886	0.7
145.06557	0.7
146.05966	4.9
148.07561	3.2
150.05560	0.9
150.09215	0.7
152.07083	1.8
160.03949	2.8
162.05487	3.4
163.03915	1.9
164.07082	1.7
166.08636	10.2
167.07071	3.4
170.09773	0.6
172.03931	17.4
172.07568	1.2
173.05901	0.8
174.05527	1.5
176.07065	2.6
178.05029	1.3
181.05006	1.7
182.09680	0.8
185.10724	0.7
186.09180	0.8
190.04985	12.9
191.06995	1.0
193.08664	0.9
196.07655	0.5
196.09908	0.8
197.10724	2.2
199.12311	2.4
204.06557	25.2
209.10785	0.8
210.09219	1.6
210.11511	0.9
211.08623	2.9
211.12373	1.1
212.09492	2.0
213.10361	0.9
222.09729	0.7
223.08557	0.9
224.09590	1.6
225.10220	7.7
226.10884	1.3
227.11786	13.2
229.13333	0.6
235.08755	0.8
236.09454	1.6
237.10312	3.1
238.11086	1.1
239.11786	3.3
241.09778	1.4
241.13452	0.9
243.11121	0.7
245.12970	0.6
249.10201	2.2
251.08250	1.0
251.11832	2.4
252.08893	1.1
253.09782	4.9
255.11319	2.1
263.08212	1.3
264.08963	2.8
265.09772	2.3
266.10571	0.8
267.11349	2.5
269.09750	1.1
269.12827	13.8
270.09738	0.7
271.10776	8.4
273.12268	3.0
277.09860	1.3
279.11169	3.9
280.10669	1.7
281.12839	1.2
283.10754	5.2
284.11536	4.2
285.12360	4.9
286.13199	1.7
287.13885	14.5
295.10852	1.9
297.12323	8.1
299.13934	3.0
307.10849	1.1
310.13211	0.7
312.15109	1.3
313.12277	1.2
314.13098	2.1
315.13867	1.0
316.11029	0.9
316.14532	2.1
320.15311	0.6
323.10165	5.0
324.11142	0.7
325.11838	15.4
326.12976	0.9
326.16644	1.3
327.13507	2.6
327.17319	1.3
328.10852	2.2
328.14453	1.7
329.11502	0.8
329.15341	0.7
330.12497	0.8
330.16022	2.3
331.16882	1.8
339.13931	1.1
340.14526	1.5
341.11859	1.0
342.12366	6.3
342.16138	1.2
343.13022	7.0
344.13757	1.2
344.17621	0.6
352.14539	1.2
354.16034	1.3
355.13452	1.8
355.17300	0.9
356.13934	6.5
357.14502	11.6
358.15485	3.4
365.11435	0.9
366.16199	0.8
369.15329	0.8
370.11575	0.8
370.15570	5.2
371.16364	1.1
372.17200	1.0
376.16693	0.8
378.18094	1.3
382.11700	4.0
383.12476	2.6
384.13330	4.2
384.17209	0.7
385.14240	2.5
386.14886	2.4
386.18817	2.2
388.23425	1.2
390.18103	2.1
394.15714	0.8
397.14810	1.1
398.14972	18.7
399.15741	23.6
400.16589	2.1
401.13370	0.9
402.18402	1.4
404.15945	5.6
412.16656	1.9
414.18301	3.2
416.16046	15.7
417.15878	1.3
422.17041	1.9
428.16061	2.9
430.17740	3.1
440.15973	6.5
446.17032	8.3
448.18701	1.0
458.17075	20.8
459.17584	0.9
478.19586	2.9
487.17108	2.5
490.19727	7.8
551.22821	0.9
565.24536	0.9
567.25854	1.6
569.23846	4.2
575.23273	0.6
583.25220	2.5
590.21429	0.7
593.24048	5.0
602.21558	4.1
608.22003	0.7
610.23938	1.2
611.24988	100.0
612.25360	4.9
620.22266	2.4
643.27509	14.0
644.27710	0.8
737.27631	1.7
755.28851	3.6
773.30249	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	804.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99381	0.8
57.03146	1.0
57.03434	20.3
57.07068	3.0
59.04993	6.4
61.02923	5.2
62.12639	0.8
65.03931	2.2
67.05499	71.2
68.05837	1.0
69.03421	5.4
69.07064	12.2
70.06579	1.6
71.01337	1.3
71.04989	8.3
73.02910	4.1
79.05487	35.9
80.05858	1.2
81.03409	18.4
81.07050	38.2
83.01325	9.1
83.04978	17.9
83.08614	16.7
85.02898	17.1
85.06528	4.3
86.09696	1.0
87.04459	4.0
89.84230	0.8
91.03957	2.2
91.05474	24.3
91.06010	1.8
93.07041	32.4
95.04959	14.3
95.08604	15.6
97.02876	5.7
97.06526	8.9
97.10168	14.1
99.04443	2.4
99.08083	1.1
103.03940	1.1
103.05473	1.0
105.07021	15.8
107.04950	11.7
107.08591	20.9
109.02900	1.4
109.06502	10.0
109.10151	46.2
110.06876	1.0
110.10440	1.3
111.04430	5.4
111.08078	5.1
113.06026	1.4
115.05413	1.3
116.30579	1.0
117.07008	11.4
119.08575	14.1
121.06536	4.9
121.10133	13.3
123.04385	1.6
123.08041	11.3
123.11681	1.4
125.06042	2.0
125.09624	15.5
129.05475	2.2
129.06999	4.2
130.07745	1.2
131.08571	6.3
133.10124	5.4
135.08037	4.2
135.11679	14.6
137.09608	3.0
141.14810	0.9
143.08539	2.3
143.10670	2.7
145.06470	1.6
145.10114	19.8
147.08073	2.8
147.11656	2.6
149.09654	2.2
149.13284	1.8
151.11092	1.0
153.12741	6.0
155.08467	1.7
155.10655	1.6
157.10086	1.3
159.11629	1.1
161.13228	1.1
163.11168	31.0
164.11662	0.9
168.06180	0.8
173.09583	4.5
173.11729	15.1
175.11223	1.0
181.12231	7.2
184.07324	2.0
189.11256	1.1
191.10660	7.4
193.12236	2.4
199.13245	5.8
207.26617	0.9
209.11699	15.4
209.13591	1.1
222.35068	0.9
227.12766	15.3
229.14337	52.0
230.14694	1.0
253.66211	0.9
257.13821	1.7
265.14359	1.5
267.15973	2.9
273.95657	1.0
275.20151	2.4
277.21936	1.2
283.15381	100.0
284.15723	2.8
291.19583	1.1
301.16473	13.2
311.14954	2.1
399.23770	12.4
407.24359	2.2
425.25296	6.3
437.19357	1.9
437.25317	35.7
438.25607	1.7
457.26227	1.0
491.26389	3.0
509.27127	8.4
510.28433	1.1
527.28479	2.7
606.41437	1.2
607.25543	1.5
607.34753	25.8
608.34784	1.2
614.59387	1.0
624.43671	1.6
660.25415	0.9
728.32098	1.1
755.78656	0.9
804.49329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05004	0.7
56.96574	0.5
57.03441	3.0
57.07051	0.8
58.06566	0.5
61.02900	1.6
62.06076	0.9
65.03931	0.6
67.05496	3.0
68.05013	0.6
68.99763	0.8
69.03079	0.9
69.03426	14.5
69.07064	5.9
69.40096	1.1
69.40511	5.0
70.06562	1.7
71.04989	5.5
71.08596	0.7
72.08142	0.9
73.02918	5.3
79.05495	3.0
81.03415	15.9
81.05740	0.7
81.06642	0.6
81.07053	6.0
82.06551	1.8
83.04966	1.5
83.08597	2.9
84.08119	1.9
85.02902	16.4
85.06514	1.6
86.06064	17.6
86.09724	0.8
87.00804	4.7
87.04465	4.5
88.72778	0.5
89.02428	0.6
91.03933	1.1
91.05460	1.5
93.07049	4.6
95.04959	1.1
95.08609	3.6
96.08130	10.3
97.02885	6.9
97.10121	0.6
98.06050	3.5
98.09679	2.2
99.04449	5.1
100.07601	1.0
105.01824	1.9
105.07018	1.5
107.08577	3.3
108.08107	2.8
109.02874	11.0
109.06483	2.1
109.10145	2.1
110.09682	3.7
111.04392	0.8
111.06802	0.6
111.08054	0.6
112.07565	1.1
114.09109	0.7
116.10718	8.7
119.08582	0.8
120.08086	0.5
121.08857	0.9
121.10135	2.3
122.09664	2.4
123.08093	1.3
123.11684	1.3
124.07573	2.8
124.11221	2.4
125.05927	1.1
126.09151	0.7
127.03912	12.0
129.01817	1.0
129.05458	0.6
129.06970	0.6
131.08563	0.9
134.09628	1.1
135.04303	0.6
135.11687	0.6
136.11177	1.8
137.05956	2.1
137.09547	0.6
138.09131	1.2
139.09912	0.7
140.10709	0.9
142.08635	13.9
145.04921	2.1
149.13248	2.1
151.11174	3.9
152.10692	2.7
152.14349	0.8
153.05428	0.8
154.12238	3.6
157.06470	0.6
159.02892	2.8
159.11668	0.8
161.09738	0.6
163.03908	2.2
163.07411	0.5
164.14436	0.7
165.09056	0.6
166.15903	9.4
167.07031	3.4
168.07341	0.6
170.11784	0.8
173.06067	0.7
176.14320	1.4
181.04897	1.3
182.15515	0.6
187.06007	1.2
193.08575	0.9
194.15393	5.3
206.07364	0.6
206.74763	0.6
210.18501	3.0
212.16449	94.7
213.16710	1.4
221.09624	4.8
231.04990	1.7
233.11780	1.3
234.06653	1.3
238.18010	60.3
239.18358	1.1
240.15981	0.8
249.09079	5.5
251.10622	0.6
254.17633	0.9
256.19067	29.0
262.10950	0.6
264.07614	0.6
276.36197	0.6
279.10172	24.7
280.10422	1.0
296.12784	8.1
326.23267	3.2
329.17545	0.9
335.15207	0.6
342.22760	6.0
345.24304	0.9
370.22232	6.1
374.21780	1.0
388.23285	100.0
389.23706	2.4
416.22791	27.2
460.21768	90.8
461.22015	2.5
538.34015	1.3
556.34857	6.7
557.34692	0.7
636.28711	8.1
760.41010	2.1
804.40228	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	804.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85651	0.2
57.03439	0.8
67.88503	0.1
69.03423	1.3
69.63403	0.4
69.63811	0.9
71.01354	0.2
71.04990	6.2
72.35855	0.2
73.02913	0.2
75.04475	0.2
79.05482	0.4
81.03404	0.7
83.04967	0.8
85.02901	7.9
87.04460	0.4
89.03907	2.1
95.04965	0.2
97.02883	3.9
98.21472	0.3
99.04436	0.5
103.51353	0.1
105.53633	0.2
107.04937	0.8
109.02858	0.2
111.04445	0.4
117.03376	3.1
123.04396	0.2
127.03902	0.7
129.05458	2.0
135.04413	7.9
136.04671	0.2
137.05972	0.3
145.02843	7.2
146.03246	0.2
147.04407	0.2
147.06528	1.1
163.03899	100.0
164.04213	2.1
165.05452	0.3
174.02481	0.2
179.07030	0.3
181.04951	1.8
186.05518	0.2
244.46513	0.2
245.08115	0.2
255.08630	0.2
273.07315	0.2
291.08707	0.4
307.08136	0.6
309.09512	1.1
317.10135	0.2
325.09167	21.0
326.09677	0.6
398.06711	0.2
471.14902	0.6
479.15408	0.2
519.17133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.8
61.02900	2.3
62.06092	0.7
67.05477	2.8
68.05006	0.8
68.99787	1.0
69.03073	0.7
69.03426	12.6
69.07066	6.9
69.60083	5.0
70.06567	1.8
70.06936	0.6
71.04987	3.8
72.08139	0.9
73.02912	3.4
75.78956	0.7
79.05480	3.1
81.02969	0.9
81.03416	14.1
81.07053	5.4
82.06557	1.1
83.04977	1.5
83.08603	1.6
84.04462	0.7
84.08144	1.6
85.02901	14.7
85.06527	1.1
86.05573	1.1
86.06066	16.9
86.09666	1.2
87.00829	4.4
87.04455	4.9
89.03925	0.6
91.03943	0.6
91.05445	2.5
93.07039	4.3
94.06535	0.7
95.04971	1.2
95.08591	1.7
96.08125	8.8
97.02892	5.7
98.06057	3.4
98.09671	2.2
99.04454	5.1
103.05467	0.8
105.01839	1.3
105.07011	1.5
107.04943	1.1
107.08597	4.3
108.08097	1.9
109.02876	9.0
109.06499	2.2
109.10147	1.6
109.69002	0.5
110.09693	4.3
111.04396	0.7
116.10727	7.0
117.01860	0.8
119.08538	0.9
121.10133	1.1
122.09701	1.5
123.08076	0.6
123.11760	0.9
124.07603	4.0
124.11209	1.8
126.09141	1.9
127.03909	10.7
129.05505	1.0
133.10107	0.9
134.09663	1.1
136.11182	1.8
137.05957	1.9
138.09149	1.3
141.09076	0.7
142.08640	15.6
145.04956	2.6
149.13231	2.1
151.07565	1.0
151.11182	3.7
152.10677	2.4
152.14293	1.3
153.05522	0.8
154.12244	3.2
159.02898	2.2
163.03906	2.1
164.14368	0.7
166.12250	1.0
166.15913	8.6
167.07036	2.6
168.07312	0.7
168.13765	0.8
170.11720	0.6
175.53732	0.6
176.14319	0.6
177.05440	1.2
178.07817	0.8
181.04955	1.0
187.05994	0.8
187.07567	0.8
193.08609	0.9
194.15433	4.3
196.16971	1.0
206.07217	1.0
210.18466	3.2
212.16449	83.6
221.09604	4.6
231.05008	2.1
233.11714	1.4
234.06564	0.9
235.07512	0.9
238.18007	52.7
239.18269	1.1
240.15874	0.6
249.09070	3.5
256.19070	27.7
279.10150	22.7
296.12784	8.5
326.23395	3.6
342.22720	4.2
370.22156	6.0
388.23279	100.0
389.23584	1.2
416.22772	23.8
417.15518	1.0
460.21771	91.9
461.22351	1.6
538.16321	0.7
538.33435	0.9
556.34686	8.4
636.28717	8.6
760.40869	2.3
804.26892	0.6
804.40057	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	27.5
57.07067	7.3
58.23196	2.3
61.02929	10.7
65.03938	7.9
67.05506	100.0
68.09016	1.9
69.03429	9.0
69.07070	22.9
71.04994	14.0
71.08621	2.6
71.63865	2.0
73.02909	4.8
79.05495	68.9
81.03415	18.9
81.07056	72.6
83.04979	11.0
83.08614	14.6
85.02905	8.8
85.06551	14.1
86.39345	1.7
91.03945	3.1
91.05482	85.1
92.05828	2.6
93.07046	65.5
94.07407	1.9
95.01337	2.2
95.04968	65.2
95.08602	46.9
95.09169	3.4
97.02890	9.2
97.06519	10.8
97.10165	4.9
99.04451	3.3
99.08083	2.7
103.05514	2.5
105.07030	69.0
106.07393	2.6
107.04971	20.2
107.08586	35.7
108.25734	2.1
109.05785	3.8
109.06522	54.2
109.10164	19.9
111.08089	4.6
113.06012	36.3
115.05451	4.4
117.07026	35.2
119.08582	40.8
121.06497	11.2
121.10168	19.4
123.04460	2.2
123.08060	13.5
123.11747	2.6
124.07588	1.9
125.09628	3.3
127.03894	2.8
128.06250	6.3
129.07011	22.7
131.08566	43.6
133.06464	6.2
133.10135	39.3
135.08052	41.2
135.11690	16.4
137.09576	3.5
141.06996	7.4
142.07707	4.4
143.08557	27.1
144.09296	2.7
145.06512	10.8
145.07510	1.9
145.10126	36.4
147.08044	8.1
147.11693	18.7
149.09645	10.6
149.13254	8.3
151.11163	2.8
155.08562	8.3
157.10144	19.6
159.08115	4.9
159.11703	31.0
161.09625	8.7
161.13243	13.9
163.11191	5.5
165.09114	3.0
167.08536	4.6
169.10149	9.8
171.08136	4.0
171.11673	13.8
173.09592	3.3
173.13240	11.3
175.11072	4.5
175.14857	6.7
177.12755	8.2
179.14192	2.1
181.10091	8.0
183.08182	2.1
183.11682	8.6
185.13243	9.9
187.11180	7.8
187.14883	4.6
189.12753	2.6
193.10147	2.1
195.11722	6.6
195.13731	3.1
197.13286	6.3
199.11244	3.0
199.14870	7.0
201.12775	3.0
201.16371	5.4
203.14297	2.1
205.10098	2.0
209.13266	4.2
211.15007	2.1
215.17975	2.5
217.15927	7.5
221.15410	2.2
223.14903	2.9
227.17998	3.3
241.14389	5.2
241.19504	7.4
255.17427	3.1
257.19095	5.5
259.20697	13.5
273.18503	19.8
275.20087	8.1
279.15945	26.4
281.17551	2.3
291.19537	57.8
292.19931	2.9
293.21094	2.6
297.16711	1.9
315.23181	6.9
327.26797	7.4
333.24301	27.0
347.22354	6.3
349.23569	2.4
351.22791	2.2
365.23163	15.4
513.36407	2.9
527.37585	2.4
531.38049	3.5
543.36627	4.1
549.39484	4.9
565.38831	4.0
595.43329	2.9
605.42078	17.1
623.43011	96.6
623.53400	4.5
624.43396	10.2
641.44055	31.4
771.49762	3.3
785.48071	2.5
803.48071	5.3
804.51044	5.3
809.54303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.9
60.08160	3.4
67.05490	1.2
70.78571	3.0
71.07368	3.3
81.39038	0.8
86.09695	21.4
86.13498	0.8
87.10042	0.9
95.08612	1.0
98.98481	2.1
103.05455	1.5
104.10732	1.9
105.07017	9.0
115.05438	2.7
124.99987	16.4
128.63095	0.8
131.12384	0.8
133.06490	6.5
152.40004	0.8
161.05994	6.1
167.07097	1.0
184.07324	76.4
185.07718	5.5
190.49683	0.9
225.13829	1.3
242.62573	0.9
352.59811	1.0
401.17706	1.0
415.19257	1.4
416.20154	1.4
417.21210	1.1
427.19754	1.7
429.16632	1.3
430.21936	1.3
431.23059	1.3
433.24451	1.2
443.18454	1.5
444.19324	2.4
445.19666	2.0
445.25037	1.1
446.20453	1.0
457.19724	4.5
458.20898	2.1
459.21729	9.8
460.22678	3.0
461.23489	2.9
469.20313	1.5
470.21249	1.5
471.20987	4.6
472.22678	4.1
473.23459	8.8
483.21909	1.9
484.22665	1.5
485.23383	4.6
486.24139	1.7
499.24991	1.3
517.21948	1.6
519.23413	1.2
531.24054	2.7
532.24738	2.2
544.24811	1.6
545.24658	1.2
547.26941	10.6
557.25458	1.0
559.27130	10.9
571.27197	1.5
607.29968	1.7
619.29126	5.4
623.26599	1.7
631.28918	1.3
637.28204	2.5
639.29144	1.3
697.30328	3.2
709.30969	1.2
725.32385	1.4
739.34711	6.4
799.36902	100.0
800.37555	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	800.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36921	0.9
57.03428	2.6
57.07072	3.5
59.04994	1.9
61.02906	1.0
65.03941	2.1
66.03792	1.0
67.05496	8.2
69.03416	2.3
69.07032	2.3
70.04234	0.9
70.25693	4.4
71.04992	2.3
71.08625	1.8
75.04476	5.5
77.03938	0.9
78.33825	1.0
79.05486	14.6
81.03416	2.6
81.07056	9.3
83.04971	2.6
83.08627	1.2
85.02872	1.2
85.06553	2.7
89.06012	2.0
91.05476	26.3
93.07043	12.2
95.04971	9.0
95.08585	7.4
97.06534	2.9
97.10201	1.0
103.05455	8.6
105.07024	48.3
107.04953	9.9
107.08588	11.1
109.06512	4.3
109.10171	3.1
111.04448	1.5
111.08073	1.2
115.05431	9.6
116.06243	4.3
117.07006	15.4
118.04156	2.6
118.07791	2.9
119.04929	7.0
119.08578	11.6
120.05721	1.9
121.06501	11.5
121.10139	4.0
122.07347	1.5
123.04446	3.6
123.08072	4.0
123.11684	1.2
126.90547	1.0
128.06210	6.1
129.07001	9.5
130.07610	1.1
131.04922	5.2
131.08554	9.1
132.05676	5.0
133.02867	1.1
133.06487	23.8
133.10121	6.6
134.07260	4.5
135.04445	1.8
135.08060	20.2
135.11710	2.2
137.05957	7.9
137.09601	2.3
141.05153	1.1
141.07013	4.0
142.07774	4.7
143.08569	5.7
144.05702	2.9
145.06442	5.9
145.10109	6.9
146.07245	3.5
147.04382	3.1
147.08038	8.7
147.11671	7.3
148.05223	1.5
149.05981	4.4
149.09618	11.2
150.06732	5.1
151.07545	2.0
153.06963	1.5
154.07710	1.6
155.07048	3.1
155.08563	3.3
157.06500	3.5
157.10106	9.8
158.07262	4.2
159.08041	11.3
159.09201	1.2
159.11674	2.7
160.08832	4.3
161.05980	12.8
161.09601	5.3
162.06775	7.8
163.07544	15.1
163.11206	3.7
165.05515	4.0
165.06982	2.2
165.09105	14.8
167.07065	1.2
167.08565	2.8
170.00618	1.0
170.07292	2.1
171.08026	2.7
172.08804	2.3
173.05998	3.6
173.09579	8.1
174.06793	2.6
175.07539	9.7
175.11154	10.4
176.08322	3.7
177.05476	2.9
177.09100	15.4
177.12726	0.9
178.06389	1.3
178.09929	6.3
179.07010	3.5
179.08575	2.7
181.08604	3.5
181.10025	2.1
182.07271	1.7
183.06502	3.2
183.08037	2.9
183.11656	1.2
185.05942	1.4
185.09598	5.1
187.07536	5.4
188.08276	1.8
189.05527	1.4
189.09103	13.4
191.07033	9.1
191.08656	1.4
191.10631	6.6
192.07793	40.7
192.11385	5.8
193.08606	94.1
193.12164	5.9
194.09367	20.1
195.08109	1.3
195.10028	1.5
196.08817	1.5
196.85388	1.0
197.09615	5.7
198.10384	1.4
199.07561	2.8
199.11163	3.2
201.05441	2.9
201.09109	4.3
202.07741	1.4
203.06906	4.9
203.08749	1.7
203.10596	12.7
204.09323	1.2
205.08617	3.2
205.12248	1.4
206.09380	7.7
207.10143	4.3
208.09038	1.9
208.10909	9.1
209.09666	3.6
209.11742	18.4
210.06557	1.0
210.10468	1.3
211.11284	2.5
212.08336	1.9
213.09146	5.3
215.10611	1.8
216.09457	1.9
217.08589	4.4
217.10339	1.8
217.12064	5.2
218.10799	1.4
219.06444	8.8
219.10101	2.4
219.11952	1.8
221.09740	1.8
221.11700	32.2
221.13814	1.8
222.10283	1.7
223.11226	4.1
225.09128	3.8
225.12653	1.6
226.09866	1.0
227.10704	2.9
227.12695	1.4
229.10262	1.5
229.12259	2.2
231.11801	2.3
231.13850	1.3
232.12544	1.1
233.07892	11.7
233.13271	2.3
234.08562	1.3
234.10539	2.3
235.09450	2.3
235.11426	1.8
235.13341	3.6
236.12036	1.6
236.85420	1.0
237.09062	1.6
237.10938	1.6
237.13040	1.9
239.10696	1.6
241.12265	1.7
243.11848	2.4
244.12427	2.1
245.09592	3.1
247.11185	3.7
248.11967	2.4
249.09071	1.5
249.12752	4.1
251.12639	10.6
253.12364	1.5
258.14053	1.3
259.11218	1.6
260.11948	4.1
261.12741	3.9
262.13535	2.4
263.10831	1.5
263.14352	2.9
265.10767	3.6
265.15930	1.2
267.12228	90.6
268.12589	3.1
271.11191	1.6
273.12662	1.5
273.16425	1.4
275.11624	1.1
275.14258	6.6
277.12381	3.7
278.13184	1.2
281.15396	2.4
283.15244	2.8
284.15631	1.2
285.12579	2.2
289.15732	1.5
290.16592	1.1
291.13821	3.5
292.14529	2.1
293.15353	3.9
301.12979	1.6
301.16074	7.3
302.16611	4.8
303.13760	2.3
303.17276	1.4
305.15442	1.4
305.18869	2.3
307.16806	3.3
313.27423	6.5
315.17407	3.9
317.15250	1.8
318.16232	1.6
319.16852	2.0
321.18378	1.0
323.20078	1.1
333.18503	12.3
351.19601	5.6
365.21219	1.9
367.18875	1.2
377.17499	2.8
393.20605	1.4
395.18677	3.4
409.20010	3.1
427.21167	2.9
441.22775	1.5
455.20370	2.2
468.37970	1.2
469.22119	2.1
470.23068	2.2
475.32474	1.2
487.23209	4.2
497.21320	1.1
501.24808	100.0
502.25256	7.0
521.38202	1.6
529.24420	1.5
539.39331	2.9
540.40033	1.9
659.44586	1.3
695.33618	5.0
717.66083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.3
57.07071	0.3
58.06603	0.5
60.08160	9.9
69.42763	0.9
69.43193	1.3
71.07372	6.3
79.05476	0.2
86.09701	49.2
87.10063	0.2
92.30479	0.2
98.98468	6.4
102.57883	0.2
104.10742	3.4
116.99534	0.3
124.99998	35.8
143.01045	0.6
147.07599	0.2
149.21805	0.2
159.57545	0.2
184.07332	100.0
185.07669	0.8
320.14261	0.3
473.74518	0.3
664.53424	0.3
683.18292	0.3
690.46545	0.5
772.53760	0.8
790.55865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	8.9
68.51484	0.7
69.80078	3.1
69.80503	1.9
71.07361	3.9
86.09705	45.5
87.10001	1.2
89.57424	0.8
93.07027	0.9
98.98446	3.8
104.10731	4.0
108.92931	0.7
125.00005	29.7
168.55688	0.9
184.07338	100.0
185.07738	4.2
186.07739	0.9
271.45969	0.9
337.00049	0.9
367.86566	1.0
389.48038	1.0
772.54657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
55.05264	1.2
55.05508	19.9
57.03179	0.8
57.03438	12.4
57.07070	3.5
61.02929	3.4
65.03924	2.9
66.14503	0.5
67.05503	75.7
69.03422	1.5
69.06713	1.2
69.07067	17.7
71.04974	2.8
71.08624	1.2
71.54838	1.5
73.02925	0.7
77.03952	0.7
79.05492	50.7
81.03428	0.7
81.07055	70.9
83.04961	1.8
83.08616	8.2
85.02890	2.7
85.06516	1.9
91.03923	0.9
91.05480	27.4
93.07043	58.3
94.07364	0.6
95.04963	5.0
95.08604	52.9
97.02876	2.3
97.06529	3.0
97.10168	4.4
98.92047	0.6
99.08070	1.3
99.84114	0.7
105.04497	1.6
105.07030	20.9
107.08591	30.7
109.06477	2.2
109.10152	24.3
111.08080	1.4
117.07030	11.3
119.08577	19.3
119.09441	1.0
121.10138	23.6
123.08057	1.3
123.11707	9.0
125.09611	1.4
129.06981	1.6
131.08563	13.8
133.10120	15.8
135.08000	0.7
135.11694	16.2
137.09558	1.2
137.13246	2.6
143.08575	2.0
145.10114	11.3
147.11673	12.4
149.09686	0.7
149.13252	10.0
153.12640	0.7
155.08562	0.8
157.10135	2.1
159.11688	9.1
161.13274	7.7
163.14815	5.3
171.11725	2.2
173.13257	8.6
175.14851	3.5
177.16411	1.4
183.11572	0.8
184.07368	1.1
185.13235	1.9
187.14828	3.6
199.14876	2.2
201.16382	1.7
203.17870	0.7
213.16505	1.3
215.17896	0.9
217.19495	1.0
231.21011	1.0
233.22726	0.9
241.19556	2.1
243.21120	6.7
259.20551	7.0
261.22107	20.7
263.23746	2.1
279.23145	1.1
281.20895	0.7
299.23685	0.8
313.25385	0.8
317.24811	4.6
333.24298	4.5
335.25790	100.0
336.26138	2.7
337.27350	9.1
451.35818	0.8
503.36475	0.7
521.43311	2.2
535.65436	0.9
539.44196	0.9
595.38281	1.2
595.47101	13.3
613.48181	9.1
723.52722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06541	0.7
71.04945	0.2
71.62721	0.3
81.03364	0.3
85.02874	0.3
86.09650	0.3
97.02811	0.3
97.06496	0.4
105.84741	0.2
107.26289	0.2
108.39127	0.2
115.88182	0.2
125.56136	0.2
144.50571	0.2
163.03813	0.5
167.07022	0.4
178.07733	0.3
179.08530	0.6
189.06950	0.4
189.09038	0.2
190.07693	1.2
195.08223	0.3
197.01213	0.2
202.07861	0.5
203.08527	0.7
205.06505	0.5
205.10049	0.8
206.07242	0.5
207.08043	1.4
209.09634	0.6
218.07251	1.3
219.08026	0.8
220.08728	1.2
223.07466	0.5
229.06557	0.3
231.08078	1.3
232.08823	1.8
233.06038	0.4
233.09572	1.1
235.07533	4.4
235.11150	0.6
236.08173	0.7
237.09050	0.8
246.06723	0.8
247.07513	4.3
247.09920	0.4
248.08476	1.2
249.09154	1.3
251.06915	0.5
259.07489	2.7
260.08237	2.3
261.09125	2.4
262.09894	7.7
263.07031	24.3
263.10303	1.4
264.07419	1.3
267.10196	2.2
277.08563	3.2
278.09363	37.0
279.09738	2.0
280.09732	1.0
293.11703	100.0
294.08917	0.3
294.12018	4.9
310.10797	3.8
310.14325	41.9
311.14639	2.0
328.11823	0.6
371.14856	0.3
385.09216	0.2
421.22198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.1
55.05507	32.3
57.03435	16.6
57.07069	2.0
61.02921	3.8
65.03942	4.8
67.05499	58.6
69.03426	6.2
69.07064	23.9
71.04977	6.4
73.02926	2.0
79.05486	60.0
81.03412	49.6
81.06564	3.5
81.07050	62.6
82.07367	1.8
82.65063	1.5
83.04974	8.9
83.08615	19.8
85.02901	4.5
85.06530	6.1
86.09689	10.2
91.05476	59.3
92.05820	2.6
93.07037	70.5
95.04958	21.8
95.08601	34.5
97.02879	4.1
97.06553	9.2
97.10165	13.9
98.20756	3.6
98.98453	1.8
99.08100	3.7
102.40901	1.7
105.07023	58.8
107.04958	10.1
107.08584	31.3
109.06525	7.7
109.10154	23.0
111.04420	3.9
111.08099	6.1
115.05446	4.5
117.07015	23.5
118.61935	1.5
119.08574	47.3
121.06483	4.0
121.10128	26.7
123.04440	2.5
123.08077	6.3
123.11710	4.0
124.12836	1.6
124.99997	6.4
125.09616	9.8
127.03952	2.0
128.06206	2.8
129.05518	2.9
129.06995	20.0
131.08557	31.3
133.06470	5.0
133.10124	31.7
133.11072	2.9
135.08047	5.7
135.11667	13.7
137.09595	4.4
141.06976	3.9
142.07762	5.5
143.08534	14.6
144.09241	1.9
145.06468	3.6
145.10118	28.0
147.08061	6.6
147.11674	23.2
149.09598	6.2
149.13284	7.8
151.11147	3.0
155.08499	9.3
157.10141	16.5
159.11667	16.1
161.09645	3.3
161.13232	9.5
163.11189	5.7
165.12759	2.6
167.08583	2.9
169.10144	5.7
171.08038	2.1
171.11690	15.3
173.09491	2.3
173.11877	2.5
173.13234	10.7
175.11205	5.8
175.14890	4.2
177.12823	2.5
179.14296	1.9
181.10078	3.6
183.11720	8.3
184.07356	23.3
185.13228	10.0
187.11211	2.1
187.14844	7.2
189.11188	4.8
189.12717	2.5
193.10304	2.2
193.12238	6.7
195.11690	4.3
197.13271	6.3
199.11177	1.9
199.14818	6.1
209.13287	3.4
211.14844	4.1
213.16437	2.4
217.15944	2.4
223.14835	3.5
227.12625	9.5
229.14374	5.7
237.16444	2.6
241.19528	4.2
259.20547	19.2
267.15869	20.9
269.17361	2.8
274.93930	2.0
275.20172	4.1
283.15454	3.2
283.20670	3.3
297.22302	3.3
299.20541	1.8
299.23474	9.2
300.38498	1.7
301.21658	1.9
302.20062	1.7
309.21933	1.8
316.28491	1.8
329.21198	1.9
333.24268	11.5
343.22568	2.7
349.23718	3.1
357.23871	1.9
361.23563	1.9
403.25006	2.4
415.29947	3.0
421.25766	10.2
433.30881	13.4
435.27310	4.9
451.32086	13.1
469.33051	8.0
489.33395	2.5
495.28854	2.3
499.91537	2.0
503.33530	4.0
507.34570	5.7
517.35083	2.1
525.35779	57.5
543.36792	100.0
544.36847	2.1
557.38300	10.5
562.38141	2.0
575.39630	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	788.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50029	0.1
56.05039	0.8
58.06625	0.5
59.07380	0.2
60.08162	6.3
61.62220	0.1
67.05509	0.1
71.07372	3.3
71.65134	0.2
79.57070	0.1
86.09700	31.8
87.10027	0.3
98.97961	0.1
98.98457	3.4
104.10733	2.8
124.99998	21.9
126.00336	0.1
143.01057	0.4
166.02660	0.3
166.95337	0.1
167.56313	0.1
176.66673	0.1
184.07330	100.0
185.07712	1.0
186.07933	0.2
197.97226	0.1
490.83615	0.1
496.34225	0.3
622.65137	0.1
702.46674	0.5
746.55035	0.1
754.53674	0.3
770.53186	0.3
788.54254	4.5
789.55023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.2
56.05026	0.4
57.07058	0.2
58.06631	0.5
59.72102	0.1
60.07864	0.3
60.08158	4.4
67.05490	0.3
69.07063	0.2
70.06577	0.2
71.07372	2.3
71.39635	0.2
71.39961	0.2
75.27132	0.1
79.05485	0.2
86.09697	21.4
91.05465	0.2
95.08624	0.2
96.08154	0.2
97.06516	0.3
98.15250	0.1
98.98458	2.1
102.77738	0.1
104.10736	2.5
124.99993	13.6
126.10254	0.1
136.34500	0.2
142.53503	0.2
143.01031	0.2
184.07324	100.0
185.07628	0.6
233.11720	0.6
263.20227	0.1
335.25403	0.2
496.33618	0.3
545.79517	0.2
616.65546	0.2
676.44672	0.2
690.46661	0.5
770.52960	1.4
788.54242	3.0
789.54797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
57.07072	0.2
57.67525	0.1
58.06634	0.5
59.17135	0.1
60.08160	7.6
61.72260	0.1
67.05509	0.1
70.06590	0.4
71.07369	3.8
71.08608	0.1
71.14407	0.3
71.14775	0.2
79.05490	0.2
81.07044	0.2
86.09701	38.3
87.10033	0.3
93.07053	0.1
95.08620	0.2
96.08106	0.7
97.02937	0.2
98.09687	0.2
98.98454	3.7
104.10046	0.2
104.10738	3.0
109.10158	0.2
124.07545	0.2
124.99998	25.1
126.09142	0.7
127.62057	0.1
143.01070	0.6
154.08640	0.7
166.02579	0.2
184.07330	100.0
185.07668	0.9
218.75166	0.1
377.99915	0.1
489.19614	0.1
690.46680	0.4
690.58447	0.1
770.52698	0.3
788.41211	0.1
788.54053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	23.4
55.05507	42.5
57.03433	24.7
57.07071	3.9
59.04993	2.6
61.02928	7.4
62.58009	0.6
65.03944	5.8
65.36407	0.9
67.05501	100.0
68.05845	2.0
69.03423	14.4
69.07064	54.8
70.06576	0.7
71.01379	1.5
71.04993	10.7
71.08637	0.9
71.64232	0.7
71.64614	1.0
73.02907	4.0
74.09681	0.6
77.03941	1.8
79.05488	75.6
80.05820	1.6
81.02917	1.0
81.03052	1.0
81.03413	59.1
81.07052	83.4
82.03747	1.4
82.04182	1.6
82.07392	1.9
83.04975	24.2
83.08615	32.3
85.02901	23.1
85.06532	6.7
86.09697	2.1
87.00413	0.7
91.03951	2.9
91.05476	76.5
92.05795	0.9
93.07038	65.2
94.04192	0.9
94.07397	2.0
95.01343	1.8
95.04962	38.3
95.08599	47.3
95.50476	0.7
96.08922	1.7
97.02882	7.8
97.06525	28.2
97.10163	20.9
98.07309	2.8
99.04453	3.2
99.08089	4.2
101.06003	0.9
103.03986	0.8
103.05476	2.6
105.04517	2.3
105.07025	59.7
107.04956	18.2
107.08588	37.4
107.79425	0.6
109.02885	2.9
109.06519	10.9
109.10147	33.8
111.04426	3.8
111.08079	15.1
111.11738	0.8
112.46277	0.7
113.06016	3.0
113.09624	1.9
115.04791	0.7
115.05418	3.9
116.04715	5.4
117.07005	18.2
119.04954	1.1
119.08573	44.2
121.06518	8.6
121.10140	22.1
121.11012	1.3
123.04396	1.0
123.08042	9.2
123.11671	4.4
124.99973	1.6
125.05976	1.6
125.09629	16.7
127.03926	3.4
127.07578	1.5
127.11234	1.3
128.06258	2.8
129.05486	12.7
129.06996	15.3
129.07898	1.4
130.07832	1.5
131.07576	1.6
131.08562	29.2
133.06494	5.1
133.10121	37.5
134.10493	0.9
135.08026	7.5
135.11678	14.0
137.05998	0.8
137.09599	15.3
137.10551	1.0
137.13269	1.1
139.07635	0.9
139.11182	2.4
141.06993	2.5
142.07806	3.0
143.07034	3.0
143.08543	6.5
143.10667	1.0
144.09354	1.3
145.05058	0.9
145.06511	2.7
145.10110	19.5
146.10651	0.8
147.04350	0.7
147.08029	6.4
147.11679	24.5
149.09616	22.4
149.13261	8.4
151.11176	4.5
153.09152	2.7
153.12785	2.0
155.08572	2.5
155.10713	2.8
157.08644	6.7
157.10152	16.3
159.08084	1.8
159.11681	12.8
161.09645	4.0
161.13240	6.6
163.07635	1.0
163.11177	16.3
165.07066	0.8
165.09167	2.0
165.12737	3.9
167.08530	0.9
169.10170	2.7
169.12164	1.1
171.10223	3.8
171.11743	3.4
173.04509	1.4
173.09645	1.4
173.11761	9.5
173.13313	6.4
175.11179	16.6
177.12816	4.3
179.14310	3.8
181.10143	1.0
181.12267	2.2
183.11739	2.5
184.07375	7.0
185.09651	0.8
185.13278	3.1
187.11226	1.9
187.14899	1.8
189.11218	9.3
189.12700	1.1
191.10771	2.1
193.12227	36.0
193.49770	0.8
194.12639	0.9
195.12045	1.2
195.13852	4.7
197.13322	2.0
199.13344	4.9
199.14912	1.3
200.14009	1.1
201.12799	1.0
203.14362	1.2
205.12239	0.9
209.11809	3.1
210.12628	0.9
211.13277	43.1
212.13666	1.1
213.14870	1.1
215.18031	0.8
217.12267	0.8
219.13887	0.8
219.17535	0.8
223.13341	1.5
227.12759	15.3
227.14793	1.0
227.17979	1.0
229.14299	9.9
229.19525	3.1
233.15367	1.2
239.18047	1.8
243.16011	1.1
247.20688	2.9
249.14859	2.0
253.14368	2.0
253.18060	1.1
255.15646	5.5
257.18967	7.8
257.21204	0.9
259.20621	2.7
267.15891	23.1
268.16370	1.3
269.17480	8.8
270.17957	1.2
273.18500	3.8
275.20050	38.5
276.20447	1.3
283.15445	3.6
285.16962	26.3
291.19568	5.5
293.21127	4.0
297.88489	0.8
299.14954	3.3
301.16452	28.7
313.21735	1.2
331.22879	2.6
333.24332	1.7
347.22147	1.3
348.15817	0.7
349.23712	42.3
350.24142	1.5
363.21664	1.0
365.23309	2.3
367.24966	1.1
381.22910	3.7
393.17004	1.1
393.26233	0.9
409.25922	1.1
421.25925	6.0
423.27722	1.7
439.26840	17.2
445.29507	1.7
447.27969	1.2
461.29150	2.9
462.29059	1.5
463.30807	6.5
471.26099	1.9
477.28629	2.1
479.29965	1.4
481.28064	3.5
495.29504	10.7
507.29514	0.9
523.34412	1.2
541.35126	11.6
557.35028	2.6
558.35706	0.9
559.36316	26.1
560.36346	1.4
575.35822	14.0
577.37323	3.7
593.36938	2.8
773.46326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	15.4
55.05508	42.3
57.03430	28.0
57.07059	4.4
59.04994	5.6
61.02913	9.8
65.03936	6.6
67.05501	99.5
69.03430	22.2
69.07059	48.8
70.06569	5.1
71.04984	30.4
71.64774	6.0
73.02905	5.4
79.05487	79.5
81.03411	66.1
81.07052	100.0
81.25287	3.2
83.01350	7.4
83.04980	34.2
83.08613	32.1
84.08105	3.7
85.02895	34.9
85.06541	7.1
86.09693	8.1
91.03928	4.0
91.05474	70.9
93.07040	73.4
95.04969	36.1
95.08595	34.5
96.08162	4.2
97.02885	19.4
97.06525	71.6
97.10139	12.2
99.04469	6.7
99.08070	6.9
105.07024	54.5
107.04945	26.0
107.08590	42.4
109.02888	4.9
109.06496	26.4
109.09457	3.8
109.10153	38.5
111.04427	12.1
111.08088	17.1
115.05460	4.6
115.07543	21.3
116.06221	4.5
117.06992	24.5
119.08561	41.1
121.06489	11.5
121.10137	25.1
123.08068	14.2
123.11649	5.2
124.99960	4.0
125.09635	10.3
127.03910	5.6
127.07583	5.2
128.06163	3.6
129.06981	20.3
131.08556	32.8
133.06493	7.5
133.10135	31.5
135.08012	15.8
135.11659	21.3
137.05977	7.1
137.09599	6.8
142.07724	3.5
143.08527	6.8
145.06450	4.8
145.10091	25.9
147.04448	3.6
147.08049	9.6
147.11682	26.6
149.09589	15.6
149.13222	10.3
151.11122	6.9
155.08495	6.3
157.10126	18.6
159.11664	11.6
161.09645	6.4
161.13376	4.1
161.15085	3.4
163.03851	7.0
163.11183	25.2
167.06987	6.9
169.10130	8.7
173.04466	10.2
173.09579	6.3
173.11691	5.3
173.13168	3.9
175.11162	13.4
177.12621	5.3
179.45679	3.1
181.12247	4.6
184.07280	13.4
185.13341	4.7
187.07549	5.0
189.11227	6.2
193.12216	42.5
195.13634	4.8
211.13300	43.0
217.15984	6.7
227.12732	18.0
229.14333	25.5
233.15311	6.9
245.18950	6.5
257.18964	4.8
267.15866	29.7
269.17398	22.5
271.16925	3.8
273.18530	31.8
275.19962	26.7
283.15375	73.6
285.16885	40.2
291.19510	19.1
293.21237	4.6
307.19131	5.3
347.22058	9.1
349.23648	13.6
365.23209	9.3
367.24655	7.7
421.79199	3.6
432.62390	3.6
437.25360	43.3
461.29016	13.4
477.28458	57.7
479.30051	21.9
499.30664	4.8
517.31647	5.4
539.33423	4.2
557.34497	41.2
575.35742	20.3
593.36353	5.5
643.07050	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05267	1.1
55.05510	14.6
57.03432	8.9
57.07076	1.4
59.04993	1.9
60.05434	0.8
61.02912	2.5
65.03935	2.4
67.05504	38.8
68.05854	1.4
69.03435	6.2
69.07064	20.7
70.06594	5.2
70.33265	1.8
70.33628	2.0
70.54111	0.9
71.01331	0.9
71.04990	3.4
71.08620	1.4
73.02913	2.4
79.05487	28.5
80.05834	1.3
81.03414	40.3
81.07054	42.2
82.06602	1.1
82.07378	2.0
83.04974	7.8
83.08617	14.4
85.02898	4.6
85.06531	2.1
86.09704	3.9
91.05476	38.8
92.05805	1.2
92.54215	1.0
93.07045	28.2
95.01321	3.1
95.04968	18.4
95.08604	22.7
96.08128	41.4
97.02898	3.5
97.06523	11.9
97.08413	0.9
97.10162	5.4
98.06123	0.8
99.04440	1.0
99.08080	1.2
103.05484	0.8
104.10709	1.3
105.04502	2.2
105.07029	43.0
107.04954	11.2
107.08598	15.8
109.02837	0.9
109.06510	5.6
109.10159	13.5
110.10438	1.1
111.04430	1.2
111.08071	4.8
111.12831	1.0
113.09608	1.5
114.74036	0.9
115.05424	1.1
117.07011	9.6
118.06558	2.7
119.04938	1.2
119.08577	28.3
121.06510	4.3
121.10147	10.4
123.04395	1.4
123.08072	3.5
123.11715	2.6
125.00004	3.7
125.09623	3.9
127.03912	1.0
128.06258	1.5
129.05482	1.6
129.06996	8.0
129.25218	0.9
131.07585	1.6
131.08565	21.1
133.06490	3.5
133.10126	25.6
134.10497	1.9
135.08069	4.2
135.11697	7.5
137.09595	3.0
141.07014	2.6
142.07730	1.9
143.08527	4.8
145.06461	1.7
145.10115	10.1
146.10493	1.1
147.08018	2.0
147.11673	12.4
149.09590	6.6
149.13254	2.9
151.11159	4.1
153.09113	0.9
155.08568	2.6
157.10135	9.5
158.10541	1.0
159.08025	1.9
159.11661	5.9
161.09639	1.7
161.13281	2.2
162.09158	2.7
163.11131	4.7
165.12764	1.1
169.10123	2.5
170.10397	1.0
171.11699	3.7
173.04387	1.2
173.11864	1.3
173.13297	3.4
175.11221	4.6
177.12770	1.9
179.14345	6.5
183.11757	3.5
184.07330	12.0
185.13269	2.2
187.11250	1.5
189.11183	1.5
193.12230	9.3
195.11613	0.9
195.13808	1.2
197.13248	1.9
201.46193	0.8
205.08514	1.2
205.12311	1.0
211.13228	2.3
217.16080	1.1
219.17447	1.2
227.12831	2.8
229.14267	2.1
230.15485	5.4
239.17993	1.2
247.20538	1.1
249.14836	1.8
253.14339	10.7
257.18988	2.6
259.20575	2.5
267.15897	41.3
273.18484	3.5
275.20062	26.5
276.20334	1.5
277.21716	1.4
283.15683	1.2
285.16913	1.6
291.19568	3.9
292.19070	13.5
293.21078	1.9
301.16531	1.8
333.24289	1.4
349.23764	18.8
351.25803	1.0
365.23370	2.9
461.28918	1.1
463.26135	1.2
479.30182	1.1
489.35571	1.1
513.35577	1.0
514.35986	1.4
529.38654	2.6
541.35254	100.0
542.35571	6.6
543.36542	1.3
544.36884	1.3
559.36176	4.3
573.34991	0.9
583.36035	1.8
591.35718	2.9
608.44427	4.7
611.46484	1.8
625.44244	1.4
626.45203	8.8
629.47461	1.4
770.49469	2.8
788.49847	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.6
55.05510	37.7
57.03437	15.0
57.07057	5.4
61.02926	18.1
61.85472	2.8
64.62360	2.7
65.03927	5.7
67.05502	91.7
69.03431	19.6
69.07063	31.5
71.04983	7.7
71.08636	4.6
71.63618	3.4
73.02915	6.4
73.74583	3.3
77.81544	2.6
78.51718	2.9
79.05490	61.4
81.03416	30.8
81.06582	5.5
81.07052	85.9
83.04964	10.1
83.08610	22.1
85.02906	21.4
85.06526	3.8
86.09718	4.2
91.03940	6.6
91.05485	56.1
93.07041	60.9
95.04977	16.6
95.08607	52.1
96.88081	3.0
97.02892	21.7
97.06528	18.6
97.10176	9.8
99.04456	4.2
99.08096	4.3
103.05502	5.1
105.07033	51.9
107.04961	6.9
107.08602	42.9
109.02866	11.3
109.06507	8.8
109.10160	33.8
111.08058	9.3
115.05438	7.1
117.07007	30.0
119.08584	44.7
121.06526	3.9
121.10143	26.4
123.04453	3.4
123.08071	9.8
123.11692	9.7
125.09641	5.7
127.03918	6.1
128.06195	5.3
129.05502	4.7
129.07001	24.2
131.08565	42.0
133.10136	30.6
135.08015	6.1
135.11702	14.5
137.09596	6.0
140.07018	3.4
141.07024	8.1
142.07742	5.0
143.08585	29.8
145.10115	38.5
147.08110	5.3
147.11668	21.2
149.09612	8.2
149.13330	3.8
151.11102	3.3
153.06943	4.0
155.08589	18.7
157.10110	18.9
159.11687	20.9
161.09602	5.0
161.13239	4.9
163.11192	7.9
167.08595	10.5
169.10141	23.9
171.11642	24.3
173.04474	5.3
173.09531	4.2
173.11885	3.8
173.13261	12.6
175.14774	7.3
179.08530	6.9
181.10088	11.4
183.11652	17.7
184.07339	7.6
185.13304	16.2
187.14792	5.9
189.12746	3.2
191.08615	2.9
195.11673	8.1
197.13258	17.1
199.14813	9.2
200.05705	2.9
201.12598	5.4
207.11621	5.0
209.13248	11.3
211.14926	8.4
213.16449	4.0
221.13341	6.2
223.14838	9.8
225.16418	7.5
227.12752	7.3
227.17976	4.3
229.14301	8.5
233.13266	4.5
237.16457	6.0
239.18082	3.6
241.19449	4.9
257.18906	4.3
259.20599	9.9
261.22119	3.4
273.18585	4.5
275.20105	14.2
315.23190	3.7
325.21762	3.0
335.26044	6.2
341.24829	3.3
349.23737	9.2
379.29865	7.1
394.12790	3.2
421.30908	4.4
501.35696	3.3
513.35870	21.7
515.38165	8.3
527.37048	10.3
533.39484	6.7
545.38843	3.3
551.41058	4.9
589.41626	4.0
607.43439	58.0
608.44012	6.1
612.28271	3.6
625.34448	5.6
625.44604	100.0
626.44641	4.8
689.42249	5.7
733.47125	5.2
769.48578	6.6
787.49774	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	786.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
58.06579	0.4
60.08164	5.9
71.07377	3.5
74.05943	0.3
77.69010	0.3
84.06578	0.3
86.09704	28.5
98.98458	3.7
99.80038	0.3
104.10736	2.5
125.00006	18.8
143.01076	0.4
184.07338	100.0
185.07660	0.6
194.21965	0.3
203.56963	0.3
229.60094	0.5
475.16089	0.4
514.76550	0.4
786.38776	0.4
786.52783	5.8
787.52423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.2
58.06597	0.3
60.08163	9.5
60.39649	0.1
65.78088	0.1
67.05497	0.3
69.07081	0.2
70.06592	0.2
71.07371	5.6
71.60526	0.3
86.09703	44.7
87.10030	0.4
98.68368	0.1
98.98463	5.2
104.10739	3.7
125.00002	31.3
143.01083	0.8
152.58572	0.2
166.02708	0.3
176.16798	0.1
184.07335	100.0
185.07700	0.8
273.31464	0.2
295.55228	0.1
496.34302	0.2
677.84174	0.2
768.51764	0.3
786.52649	5.2
787.53455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.3
55.05266	1.9
55.05512	31.7
57.03442	10.8
57.07061	4.4
61.02922	15.3
65.03933	6.0
65.37000	1.4
67.05505	62.1
69.03430	16.5
69.07069	25.8
71.04987	6.7
71.08650	1.7
71.63981	2.1
73.02918	7.6
79.05493	46.1
81.03420	16.1
81.07059	60.1
83.04971	6.4
83.08616	20.0
85.02908	13.5
85.06528	2.3
91.03947	4.8
91.05481	45.8
93.07049	48.6
95.04970	14.8
95.08608	41.4
96.08153	2.7
97.02897	13.4
97.06521	19.2
97.10164	9.6
99.04459	2.1
99.08055	1.8
101.02382	1.6
103.05460	4.0
105.04504	1.7
105.07036	45.1
107.04958	7.6
107.08598	29.0
109.02891	5.6
109.06516	6.5
109.10163	23.2
110.11897	1.8
111.04453	1.7
111.08071	2.1
115.05422	3.1
117.07018	20.1
119.08586	32.1
120.05093	1.3
121.06489	4.0
121.10143	20.4
123.08063	6.4
123.11686	7.7
125.09623	10.6
127.03912	4.8
128.06239	4.2
129.07002	16.2
129.09076	1.8
130.07761	2.8
131.08580	27.5
133.06465	2.4
133.10133	25.1
135.08060	5.3
135.11729	9.6
137.09631	4.6
137.13271	2.1
141.06967	7.7
142.07780	5.4
143.08572	19.4
145.06453	1.7
145.10129	26.7
147.08035	5.9
147.11690	18.7
149.02348	8.0
149.09601	7.6
149.13223	4.8
150.02769	2.2
151.11235	2.9
154.07770	1.8
155.08568	12.5
156.09355	3.2
157.06511	2.0
157.10138	21.5
159.08101	3.0
159.11699	20.1
161.09663	2.9
161.13268	9.9
163.11229	4.0
165.06998	2.8
166.07799	2.3
167.08566	6.1
168.09396	3.5
169.10158	14.8
171.11679	18.9
173.04527	1.8
173.09650	2.3
173.11833	2.1
173.13260	12.1
175.11179	2.2
175.14848	4.4
179.08643	2.8
181.10092	8.3
183.08107	2.4
183.11685	19.4
184.07362	4.0
185.13266	13.2
187.11235	3.4
187.13319	2.1
187.14836	5.3
189.11224	4.1
189.12878	2.4
189.16266	1.7
193.05022	8.3
193.10205	3.6
194.05251	2.7
195.11684	9.4
197.13202	11.8
199.11130	2.6
199.14738	9.0
201.12776	2.7
201.16415	2.7
203.14253	2.1
203.18134	2.2
207.11697	3.7
209.09702	1.6
209.13280	6.4
211.14845	6.4
213.12735	1.8
213.16331	4.8
221.13252	5.8
223.14867	3.9
225.12878	2.0
225.16423	4.0
227.12781	7.1
227.18010	2.9
229.14296	3.0
233.13208	2.5
237.16460	3.6
239.17905	3.7
241.19591	4.9
243.15881	2.1
249.16399	1.9
257.19003	3.2
259.20612	10.8
261.22195	2.3
265.19421	1.8
273.18594	3.5
275.20117	13.2
291.19595	4.4
295.20712	1.6
297.21957	2.1
309.22159	2.6
315.22888	2.5
327.23334	1.6
331.22845	3.1
333.24561	7.5
335.26016	3.1
341.24896	1.7
349.23654	6.8
357.24197	1.8
365.28375	4.6
381.31442	2.3
421.30951	3.1
495.34781	2.9
503.32748	3.1
513.35718	25.1
515.37695	6.6
527.37152	5.4
533.39709	6.3
543.36353	1.7
551.40668	4.9
555.37378	2.5
589.42310	2.2
597.45044	2.8
607.33978	3.1
607.43518	40.6
625.44623	100.0
626.45050	5.2
649.44958	1.9
689.42114	3.4
751.48077	2.8
769.48145	4.1
770.17920	2.7
782.60858	1.7
787.49957	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.6
55.05507	50.2
57.03436	12.1
57.07064	3.6
61.02922	12.0
65.03943	4.2
67.05501	72.1
69.03429	19.3
69.07059	23.7
69.07404	2.9
71.04974	8.2
71.08624	2.2
73.02905	5.2
73.95688	1.6
79.05489	63.0
81.03408	17.9
81.07049	54.1
82.93549	1.6
83.04979	8.8
83.08615	18.8
85.02899	14.5
85.06528	4.7
91.03944	5.5
91.05473	44.2
93.07034	42.6
95.04965	17.8
95.08597	38.9
97.02867	14.0
97.06524	7.1
97.10165	30.4
98.21522	2.8
99.04460	3.3
99.08083	2.5
103.05476	2.7
105.07023	40.8
105.07735	2.4
107.04930	6.2
107.08585	31.9
109.02870	4.7
109.06502	6.7
109.10146	21.6
111.08051	6.4
115.05454	5.3
117.07013	24.7
119.04961	1.8
119.08572	32.1
121.06528	3.1
121.10111	15.8
123.04376	1.8
123.08041	6.1
123.11707	6.3
125.09621	26.2
127.03961	4.8
128.06200	7.6
129.05478	3.1
129.06990	28.0
130.07753	1.8
130.81081	1.5
131.08560	32.3
133.06497	4.4
133.10135	18.1
135.08060	8.6
135.11700	7.9
137.09615	4.1
141.06932	12.1
142.07765	6.5
143.08531	23.3
143.10716	1.7
145.06471	7.9
145.10118	22.1
147.07997	4.8
147.11671	14.0
149.09573	5.7
149.13243	4.7
153.07019	2.8
153.09061	3.9
154.07809	4.1
155.08549	19.6
156.09280	3.1
157.06482	3.9
157.10112	19.0
159.08035	6.0
159.11681	14.5
161.09644	5.6
161.13258	5.4
163.11176	3.7
163.14807	2.0
165.06953	4.7
165.09161	1.9
166.07793	3.2
167.08531	13.3
168.09300	4.1
169.06502	2.0
169.10120	21.4
171.08031	3.5
171.11652	18.9
173.04424	2.1
173.09608	5.1
173.11862	2.0
173.13171	8.3
175.11075	3.5
175.14827	4.0
179.08542	6.3
180.09181	1.8
181.10074	11.2
183.08107	2.4
183.11659	17.9
184.07246	2.4
185.09691	3.4
185.13255	12.5
187.11211	2.7
187.13133	1.7
187.14780	3.3
189.11188	14.8
189.12759	2.7
192.09288	1.9
193.10132	6.4
195.11635	11.3
196.12482	2.0
197.09636	2.1
197.13263	13.8
199.11182	5.9
199.14914	8.2
201.12732	2.8
203.14384	2.2
203.18132	1.7
205.10239	2.8
206.10542	2.3
207.11690	5.7
208.12453	2.0
209.13214	11.4
211.11201	2.3
211.14828	9.2
213.12843	2.7
213.16377	5.8
215.14250	1.7
219.11600	3.8
221.13298	5.9
223.13004	2.0
223.14856	6.1
225.12740	1.6
225.16338	5.1
227.12711	14.6
227.17900	3.1
231.11742	2.9
233.13242	3.1
234.13727	1.6
235.14838	5.4
237.16344	5.4
239.14171	1.8
239.18123	3.1
241.16071	2.4
241.19582	4.9
245.13626	2.6
247.14703	2.5
250.99820	1.7
251.18063	3.1
253.15791	2.7
253.19319	2.3
257.18903	3.3
259.20499	4.1
263.18063	2.4
265.19592	2.3
271.20453	2.7
273.18417	6.5
275.20157	4.1
281.22421	1.7
291.19495	12.4
295.20526	2.4
309.21857	2.1
321.22052	2.8
333.24332	3.1
343.22903	2.9
365.23236	2.0
367.22903	2.0
377.28250	2.6
379.30112	8.3
497.32053	2.4
513.36871	5.8
523.33954	1.8
529.34668	2.4
531.38159	8.6
541.34753	2.8
549.39075	5.8
553.35205	2.6
554.35663	4.4
605.41907	26.2
623.43042	100.0
624.43176	6.4
731.45129	2.3
749.45416	3.2
767.46838	6.9
785.48169	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72072	0.1
70.06554	0.2
71.64354	0.2
85.02894	0.3
89.94747	0.1
142.08577	0.1
152.06139	0.2
154.08614	0.2
163.03900	0.2
165.07034	0.3
178.07736	2.2
180.09433	0.2
189.06982	1.2
190.07770	1.3
191.08647	0.7
192.09352	0.3
193.06532	0.2
193.10143	0.4
202.07697	0.6
203.08495	0.4
205.06575	0.6
206.07269	4.1
207.07924	0.3
208.08813	1.2
209.09547	0.1
217.06419	0.7
218.07271	2.4
219.08034	0.7
220.08751	0.8
221.09605	22.8
222.09984	0.8
222.45215	0.1
223.07558	0.1
223.11191	2.0
224.11624	0.1
230.07240	0.2
231.08034	0.2
233.09581	1.6
234.06755	5.1
235.07532	1.0
236.08331	1.7
237.09134	0.2
246.06789	0.5
247.07477	0.7
248.08272	1.1
249.09100	17.2
250.09410	0.6
251.07112	0.4
251.10699	1.0
252.07814	0.3
259.08667	0.2
261.09131	0.9
262.09818	0.6
263.07068	0.4
264.07800	1.9
265.08331	0.1
265.12296	0.4
277.08295	0.2
278.09409	0.6
279.10144	100.0
280.10480	3.2
282.14813	0.2
294.08810	0.3
296.12799	34.0
297.13217	1.0
309.11133	0.6
326.13879	0.3
800.87213	0.1
815.51410	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	784.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99380	0.2
70.06578	0.3
71.64938	0.3
72.08121	0.3
83.85265	0.2
85.02905	0.2
86.09672	0.2
111.33572	0.2
112.04870	0.2
130.58281	0.2
134.60876	0.2
163.03900	0.4
165.06981	0.5
176.06313	0.2
179.08554	0.4
189.06876	0.2
190.07762	0.5
191.08549	1.2
205.06468	0.9
207.08099	0.5
208.08766	0.4
217.06503	0.2
218.07190	0.3
219.08122	1.4
220.08815	0.9
221.05931	0.6
221.09630	0.3
223.07455	1.6
223.11107	0.3
233.05940	1.2
235.07533	5.9
236.08261	1.3
237.08942	0.3
247.07509	2.1
248.08315	1.2
249.05502	0.8
249.09052	1.6
250.06151	0.4
250.09850	0.7
251.07036	3.2
251.10628	0.9
252.07603	0.2
261.05371	1.3
262.06177	1.6
263.07025	14.0
264.07730	1.5
265.05280	1.2
265.08521	2.1
265.12106	1.1
266.09390	1.0
276.07956	0.3
277.08621	2.4
278.09360	87.5
279.06555	31.7
279.09848	4.3
279.22467	0.2
280.07196	2.6
280.10144	0.3
281.07935	0.2
282.14792	0.5
293.08002	0.8
293.11374	0.2
294.08850	53.8
295.06262	0.2
295.09277	1.4
309.11194	100.0
310.11508	2.4
326.13849	41.7
327.14014	1.1
419.91571	0.2
451.78317	0.2
605.53497	0.2
629.27917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05027	0.7
67.05491	0.7
69.07059	1.2
69.64252	0.4
69.64576	1.6
70.06577	0.5
70.82983	0.2
71.01355	0.2
71.04995	0.2
71.08611	1.1
79.05484	0.4
81.03393	0.2
81.07046	0.7
84.08121	0.3
86.09694	100.0
87.10031	0.7
91.05475	0.7
92.86623	0.2
93.07046	0.8
95.04981	0.3
95.08585	0.4
97.06534	0.3
98.09683	1.7
103.05454	0.6
105.07011	1.6
107.08597	0.3
109.10101	0.3
109.33874	0.2
110.09662	0.2
111.08113	0.2
112.11232	7.6
117.06994	0.4
119.08543	0.3
120.08089	42.1
121.08451	0.4
124.11255	0.2
129.06932	0.3
131.08568	0.2
132.08055	0.4
133.10092	0.4
146.09628	2.4
151.80698	0.2
154.15886	17.7
155.16246	0.3
157.13347	9.7
167.11803	0.3
184.07268	0.4
185.12834	12.0
188.12599	0.2
188.14317	7.3
191.11754	0.8
199.18034	15.4
200.18311	0.2
209.16478	0.9
219.11285	0.8
225.19595	6.4
227.17511	12.7
228.17961	0.3
233.16457	15.4
234.16728	0.4
235.18071	0.4
237.15884	0.4
243.14838	0.4
253.19072	5.9
259.18060	2.1
261.15948	12.9
267.24271	6.8
269.16284	0.3
277.22672	0.4
280.20090	0.4
287.17502	2.4
289.15472	0.3
295.23755	3.8
298.21216	7.4
301.22726	6.9
311.21017	0.5
323.23380	0.3
329.22189	3.7
330.22171	0.2
332.15692	0.3
332.19629	5.0
340.25922	2.9
356.23196	0.6
366.27466	2.5
368.25424	0.3
374.24365	4.0
383.30179	1.4
400.25897	2.9
402.23740	0.2
408.32339	0.6
411.29636	4.4
417.28558	1.6
425.34677	0.3
439.29202	0.3
442.30609	1.9
445.22433	0.3
445.28104	4.7
446.28595	0.3
451.36243	0.4
453.34225	0.5
455.26715	0.2
459.33249	1.0
473.27396	0.5
479.35873	2.2
487.32587	2.2
496.38651	1.0
513.34265	4.1
515.31964	0.3
524.37982	3.6
525.36377	0.2
530.36945	2.5
540.35345	0.3
555.38965	1.5
558.36432	9.8
559.36487	0.6
568.34442	0.3
572.41119	0.8
586.35565	0.4
592.44073	1.2
598.42950	0.4
600.41431	1.3
609.46753	0.4
626.42749	6.5
627.42157	0.3
637.46216	1.7
643.35468	0.3
643.45319	4.6
653.42993	0.6
655.45581	0.3
668.46942	0.6
671.44855	12.0
672.44891	0.6
699.43665	0.4
711.50793	0.4
713.48950	0.4
739.39777	0.3
739.51215	3.1
756.53772	5.0
757.53131	0.5
766.52734	1.3
784.53430	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	778.5375
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05031	0.7
58.06630	0.5
59.07404	0.1
60.08160	6.8
67.05489	0.2
67.88916	0.1
70.06606	0.1
71.07367	4.0
71.34933	0.2
76.02761	0.1
79.05490	0.1
81.07038	0.2
86.09701	35.1
87.10037	0.2
93.07061	0.2
95.08592	0.2
96.22822	0.1
98.21582	0.1
98.98455	4.0
104.10738	2.2
105.07000	0.1
107.08586	0.1
108.21455	0.1
124.99996	24.5
132.32669	0.1
141.58409	0.1
143.01051	0.3
166.02652	0.2
184.07330	100.0
185.07683	0.4
243.43182	0.1
331.59985	0.1
460.20456	0.1
500.30988	0.1
505.89166	0.1
518.32324	0.2
738.57153	0.1
778.53735	1.3
804.52002	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	780.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44105	0.1
56.05036	0.6
58.06628	0.4
60.08163	5.1
63.75139	0.1
67.05502	0.2
71.07372	3.1
71.59113	0.2
79.05499	0.1
81.07054	0.2
86.09705	28.1
87.10046	0.2
93.07034	0.1
95.08537	0.1
98.98461	2.9
104.10752	2.0
107.39882	0.1
116.99498	0.2
125.00003	18.5
133.83917	0.1
143.01036	0.3
166.02724	0.1
179.19781	0.1
184.07339	100.0
185.07719	0.9
189.83504	0.1
208.57962	0.1
313.21475	0.1
417.61731	0.1
461.18411	0.1
474.50400	0.1
500.30942	0.1
520.33612	0.1
594.92749	0.1
780.55310	1.6
781.54407	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	782.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13307	0.1
62.19647	0.1
69.93550	0.4
69.93977	0.3
71.34099	0.1
84.75817	0.1
94.07991	0.1
125.12862	0.1
152.06168	0.1
165.07002	0.3
176.06314	0.1
177.07085	0.1
178.07724	2.3
178.09193	0.2
180.09401	0.1
189.06955	1.0
190.07741	1.0
191.08528	0.9
192.09369	0.3
193.10138	0.2
194.07138	0.1
195.07991	0.1
201.98688	0.1
202.07706	0.6
203.08542	0.6
205.06451	0.8
206.07262	3.8
207.07841	0.2
208.08824	1.5
209.09549	0.4
217.06438	0.6
218.07263	2.4
219.07971	0.7
220.08777	0.7
221.09596	23.0
222.09911	0.6
223.11180	1.9
230.07249	0.3
231.08028	0.3
233.06062	0.1
233.09604	1.7
234.06750	4.8
235.07422	0.8
236.08302	1.6
237.09052	0.1
246.06700	0.3
247.07510	0.5
248.08269	1.1
249.09096	18.3
250.09418	0.7
251.06888	0.1
251.10687	1.0
252.07848	0.2
259.08667	0.3
260.34314	0.1
261.09082	0.9
262.09888	0.4
263.06949	0.4
264.07791	2.0
277.08618	0.2
278.09402	0.4
279.10138	100.0
280.10504	2.7
291.04138	0.1
296.12793	32.6
297.13092	0.8
309.11154	0.1
402.74481	0.1
501.80484	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	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.3
55.05508	47.6
56.78901	1.2
57.03438	20.1
57.07062	2.5
59.04996	2.7
61.02914	4.5
65.03933	4.8
67.05500	100.0
68.05838	1.9
69.03421	4.4
69.07062	20.9
69.11211	1.2
69.52033	12.1
71.04977	4.0
71.08611	1.4
72.06746	1.2
73.02930	2.1
77.83446	1.5
79.05491	53.9
79.05959	2.7
81.03404	7.1
81.07051	69.0
83.04968	6.0
83.08611	16.4
85.02901	16.5
85.06534	4.5
86.09712	3.3
87.04455	5.6
91.03937	1.6
91.05470	30.2
93.07036	54.5
95.04962	8.8
95.08600	49.8
97.02872	5.1
97.06525	5.1
97.10165	24.7
98.20780	2.7
105.07034	20.7
107.04948	3.6
107.08581	35.1
109.06493	3.5
109.10147	51.2
111.04412	2.2
111.08080	4.4
117.07008	11.7
119.08568	16.1
120.19164	1.3
121.06524	1.4
121.10132	22.1
123.08073	2.5
123.11692	5.4
124.99990	2.2
125.09618	19.3
129.07005	4.0
131.08548	12.7
133.06442	1.4
133.10126	9.6
135.11685	14.5
137.09589	3.5
139.11157	2.1
143.08566	3.1
143.10675	1.9
145.10089	12.1
147.11678	8.4
149.09602	1.5
149.13226	6.1
153.12714	1.9
155.10678	3.0
157.10211	2.5
159.11731	7.6
161.13232	4.6
163.11174	4.8
163.14757	2.9
167.86963	1.4
171.11620	1.9
173.11734	12.6
173.13284	3.7
175.14864	2.7
177.12682	1.9
177.16386	1.5
184.07324	14.8
185.13251	1.9
187.14806	3.2
191.10692	4.3
193.12253	2.8
197.13388	1.5
199.13260	8.0
199.14891	2.0
201.19424	1.4
203.12701	2.0
207.92894	1.2
209.11732	4.6
210.02222	1.3
227.12764	6.3
229.14349	33.2
243.21071	3.4
259.20728	1.7
261.22144	13.4
267.15900	3.1
283.15491	2.2
285.17105	1.3
299.14841	2.8
300.15244	2.7
301.16403	15.3
317.24661	2.6
333.24124	1.7
335.25775	65.3
336.26007	3.6
337.26367	1.4
363.25357	2.4
469.32037	1.5
477.35797	10.9
489.35742	13.3
522.44733	1.5
543.36652	4.9
561.37665	10.2
579.38843	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	777.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05504	1.5
57.03466	1.3
67.05511	9.3
69.03428	2.0
69.80093	3.5
69.80495	5.9
70.06581	3.4
71.04990	4.2
79.05481	6.7
81.03407	5.0
81.07063	3.3
82.06590	2.5
85.02919	2.6
87.04483	2.8
91.05473	6.3
93.07044	9.3
94.06565	15.1
95.04972	3.2
95.07349	10.3
95.08598	3.6
96.08127	22.6
97.06589	2.8
98.20787	1.7
99.41036	1.4
103.05452	3.7
105.07025	3.9
106.06538	4.2
107.04927	1.7
108.04507	8.3
108.08125	24.1
109.08890	1.9
110.08920	2.1
110.09678	33.3
120.08114	24.9
121.06490	2.9
122.06029	12.4
123.04470	1.6
123.06835	1.9
124.07626	2.7
132.04477	3.2
133.06448	1.5
134.05994	3.0
136.07614	8.8
137.05959	4.7
138.09146	44.2
148.07587	9.8
150.09123	3.1
152.07088	3.9
160.03935	17.6
160.07576	3.1
163.03972	2.8
166.08632	43.0
167.07031	9.2
172.03943	3.9
174.09192	1.7
178.04941	3.2
190.05002	3.5
192.06581	2.2
193.08601	4.5
194.09186	1.6
199.08946	1.4
204.06581	1.6
209.44453	1.5
211.08730	5.1
211.12268	4.8
212.09367	2.6
213.10297	9.6
222.11613	1.8
223.08679	6.4
223.12283	3.6
224.12965	1.7
225.10245	26.5
225.13792	2.2
226.10997	12.5
227.11783	12.8
235.08728	3.7
235.12273	2.7
236.09430	2.4
237.10205	12.6
237.13962	5.6
238.10922	10.7
239.08194	13.8
239.11810	42.3
240.12595	7.5
241.13432	2.5
247.12419	2.8
248.09317	3.4
249.10283	7.1
250.10957	9.3
251.08147	6.0
251.11798	32.7
252.08842	3.5
252.12558	7.8
253.09766	13.9
253.13373	21.7
254.10429	12.1
262.10989	1.9
263.11786	24.0
264.12555	3.4
265.09763	9.8
265.13358	34.7
266.10492	8.0
266.14011	2.6
267.11340	26.7
267.14307	1.7
268.12048	4.2
269.12857	2.4
271.10764	7.1
277.09827	3.7
278.10510	4.7
279.11316	17.5
280.12115	2.7
281.12845	41.9
282.13547	2.1
283.10748	5.6
283.14117	2.2
284.11630	1.9
285.12375	32.5
286.12967	6.1
291.11331	8.0
293.09549	2.8
293.12817	16.0
294.13455	2.1
295.10764	4.3
296.11563	4.1
297.12289	8.8
298.13095	5.0
298.88510	1.5
299.13898	30.6
307.10748	2.4
309.12335	35.1
310.12943	2.7
311.13931	30.2
312.14526	2.5
313.15411	2.2
319.10562	2.3
321.12302	5.0
327.13324	16.0
337.11658	3.9
339.13300	4.6
341.14972	23.9
345.14618	3.0
349.29214	1.6
353.14899	3.7
355.16501	1.8
357.14487	4.0
359.16049	4.3
369.14383	14.3
370.15115	1.9
371.16074	32.7
372.16751	2.1
382.15808	1.8
383.15710	2.8
385.17645	20.2
395.16049	6.2
397.17642	9.5
399.15073	2.6
401.17358	2.2
411.15607	4.3
413.17093	20.4
414.17905	4.7
417.16641	30.3
418.17593	2.2
423.15561	6.0
424.16232	2.6
425.16928	6.3
429.16550	4.0
431.18112	29.0
432.18979	3.4
441.16461	15.3
442.17505	2.5
443.18115	8.0
445.19452	3.1
455.18283	9.4
457.20276	9.1
459.17657	75.9
460.18118	3.9
462.19946	2.5
469.16049	4.6
470.16827	2.8
471.17621	5.5
473.19141	5.8
474.20187	3.1
489.18674	3.1
490.19131	3.5
491.20282	18.3
501.18643	26.7
502.19452	2.8
503.20273	23.8
506.22733	1.8
518.23169	2.0
520.24292	5.6
534.22388	3.7
546.22406	7.3
552.23187	2.5
562.21759	5.8
564.23315	2.0
566.24500	1.7
580.22888	77.1
581.22620	2.5
592.22913	52.5
593.23206	3.1
594.24658	8.4
595.24463	1.7
606.24493	5.8
612.25519	94.6
613.25586	4.6
624.25507	100.0
625.25745	4.5
655.26917	5.9
717.30719	1.7
727.29883	8.3
745.30267	3.9
759.31934	1.8
777.35742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40604	0.8
55.01873	4.9
55.05511	44.3
57.03435	16.5
57.07069	2.3
59.04996	2.9
60.84636	0.8
61.02930	4.8
63.36924	0.9
65.03933	3.9
67.05504	100.0
68.05840	1.1
69.03430	4.6
69.07063	19.9
71.01353	1.5
71.04993	4.7
71.43858	2.0
73.02917	1.7
79.05493	50.1
81.03416	5.8
81.07053	62.1
83.04984	5.3
83.08615	15.0
85.02898	16.3
85.06538	3.5
86.09704	1.4
87.04474	6.0
91.03962	1.3
91.05478	24.6
93.07043	41.7
95.04951	7.2
95.08606	42.3
97.02876	5.0
97.06545	6.6
97.10170	20.7
99.08086	1.7
103.03906	1.5
105.04494	1.5
105.07027	18.7
107.04955	2.0
107.08589	32.6
109.06531	2.6
109.10154	53.6
110.10532	1.2
111.04436	1.5
111.08075	3.1
117.06997	5.8
119.08580	16.0
121.10140	22.6
123.08080	2.3
123.11712	4.3
125.09627	18.2
126.42980	0.8
127.03938	1.6
129.05482	1.1
129.07018	3.1
131.08575	12.1
133.10129	11.0
135.08038	2.2
135.11684	13.1
137.09625	3.4
137.13281	1.5
139.11182	2.7
143.08574	2.3
143.10686	4.1
145.10123	10.0
147.11679	7.4
149.09637	1.7
149.13234	5.0
155.10680	1.8
157.10112	1.6
159.11705	6.7
161.13274	4.1
163.11201	4.5
163.14845	1.9
169.10199	1.3
171.11682	2.3
173.09624	1.6
173.11748	15.2
173.13277	6.1
175.14799	1.4
181.12228	2.1
184.07367	1.8
185.13332	1.6
187.14815	1.9
189.11263	1.6
191.10742	1.2
193.12296	1.9
195.11676	1.0
199.13280	10.8
199.14966	1.6
201.16512	1.3
203.84602	1.1
209.11769	2.7
217.14287	1.5
227.12827	6.8
229.14340	42.3
241.14322	0.9
243.21130	3.0
245.13860	1.8
259.20538	1.6
261.22141	15.7
267.15924	3.1
271.20511	1.3
283.15350	2.1
287.19983	1.1
289.21689	1.3
301.16495	13.1
315.23203	1.0
317.24860	1.9
333.24356	1.1
335.25800	76.3
336.26105	3.9
354.40009	1.1
363.25330	2.2
375.25272	1.0
412.61996	1.1
418.49881	1.0
477.35837	8.7
489.35712	14.7
543.36920	4.3
561.37732	8.2
579.39276	1.7
690.34875	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.9
55.05509	37.0
56.05025	3.9
57.03432	25.6
57.07055	2.5
60.04521	66.0
61.02917	3.6
65.03925	5.4
67.05500	81.7
69.03422	13.0
69.06712	3.1
69.07063	46.2
70.06605	1.7
71.04990	13.6
71.08623	2.0
71.65807	2.3
73.02921	3.1
74.09694	1.8
79.05487	78.5
80.67382	1.5
81.03413	82.8
81.07053	97.3
82.06573	1.7
83.04972	30.7
83.08619	38.6
85.02900	34.6
85.06556	4.2
86.09716	1.7
91.03937	2.3
91.05479	81.4
93.07037	70.1
95.04966	40.9
95.08598	41.7
97.02875	8.0
97.06528	22.8
97.10168	20.1
99.04459	3.6
99.08089	4.7
99.19859	1.9
103.05466	2.6
104.73169	1.9
105.07024	66.4
107.04951	17.0
107.08588	45.9
109.02878	3.3
109.06528	9.0
109.10163	15.6
111.04430	4.1
111.08066	16.0
115.05405	4.0
117.07018	18.0
119.08577	42.6
121.06513	7.5
121.10136	27.5
123.08086	8.7
123.11699	5.1
125.09647	14.8
127.03932	3.1
128.06229	2.9
129.07007	18.7
131.08556	34.0
133.06477	4.3
133.10124	36.8
135.08037	5.9
135.11694	16.4
137.09549	3.8
139.11101	2.1
142.07742	4.5
143.08525	4.3
145.10092	20.5
147.08047	6.2
147.11678	27.2
149.09604	25.0
149.13264	9.0
151.11211	3.4
155.08511	3.5
157.10127	23.5
159.11681	12.1
161.09657	2.8
161.13261	4.4
163.11198	11.3
165.12775	4.9
169.10188	2.0
171.08026	2.0
171.11690	4.9
173.13235	5.9
175.11188	17.3
177.12743	6.8
179.14265	2.3
181.12270	2.0
183.06439	1.8
183.11684	3.7
184.07314	4.1
185.13264	2.8
188.37753	1.9
189.11185	6.8
189.12703	2.2
193.12239	53.0
195.13829	5.3
197.13257	3.5
211.13271	74.4
227.12767	20.3
229.14282	2.1
239.17889	2.3
250.25504	2.1
255.15880	9.0
257.18988	11.9
267.15906	36.2
269.17432	25.1
275.16989	1.0
275.20062	42.4
280.26422	9.2
285.16940	59.1
298.27530	11.0
316.28452	100.0
331.22571	3.0
349.23715	40.6
367.24948	2.4
400.46246	1.8
439.26923	3.7
447.27377	5.6
455.26144	3.3
461.28922	22.7
463.30203	3.6
465.28427	15.1
479.23364	3.6
479.30048	58.3
541.35168	18.9
559.36267	48.4
560.36292	3.2
577.37317	5.1
604.15601	1.9
774.47095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.3
55.05253	2.8
55.05504	35.9
57.03437	21.5
59.04979	2.1
61.02913	6.2
65.03930	3.6
67.05497	80.6
69.03419	8.8
69.07056	27.6
69.33487	2.9
69.33889	21.1
71.04978	8.5
72.32341	2.0
73.02927	2.2
77.03935	2.1
79.05486	78.9
79.05952	3.9
81.03410	66.6
81.07048	89.0
83.04974	25.6
83.08608	35.1
85.02890	30.8
85.06525	4.4
86.09671	3.3
87.04408	2.5
91.05473	100.0
93.07034	80.6
93.28521	2.0
95.04961	42.9
95.08602	47.3
97.02889	13.3
97.06520	16.6
97.10156	9.3
98.20670	3.3
99.04462	2.9
99.08070	7.7
101.07249	1.9
105.07021	77.3
107.04955	12.0
107.08590	39.8
109.06555	11.0
109.10140	12.6
111.04391	2.9
111.08074	11.2
113.05984	3.9
115.05421	4.7
117.07011	20.7
119.08572	63.3
121.06481	5.6
121.10124	29.9
123.08054	9.0
123.11688	4.9
125.09615	9.2
127.03933	4.0
128.06158	4.0
129.05452	6.0
129.06992	27.6
131.08554	33.6
133.06476	4.0
133.10118	45.9
135.08038	7.4
135.11676	13.7
137.09595	3.9
142.07811	4.9
143.08556	8.1
145.10110	20.6
147.08047	4.0
147.11661	40.1
149.09589	16.0
149.13258	10.7
151.11163	4.5
155.08575	3.4
157.10117	24.1
158.66866	2.0
159.11656	22.3
161.13246	16.3
163.11192	6.4
165.12715	3.6
169.10088	3.0
171.10347	2.6
171.11676	13.1
173.11774	2.4
173.13217	8.3
175.11154	15.9
175.14825	7.2
177.12671	3.6
179.10657	2.2
181.10161	3.9
183.11638	2.9
184.07307	4.0
185.13251	4.4
187.14720	2.7
189.12730	3.1
189.16249	2.1
193.12228	53.5
195.13860	4.2
197.13200	2.3
199.14853	4.5
211.13260	55.2
211.15239	3.4
217.15936	3.0
227.12634	4.9
231.21034	4.4
241.19501	13.6
257.18979	6.5
259.20602	31.1
267.15839	19.3
269.17496	11.6
275.20264	11.2
283.15201	3.4
285.16937	47.1
301.16367	3.8
315.23196	4.1
333.24197	29.1
349.23807	4.0
433.30588	2.4
451.31866	3.1
461.29050	4.7
479.30063	17.2
525.35632	7.8
543.36737	23.4
559.36029	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	774.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.5
57.89677	0.1
58.06634	0.5
60.08160	6.3
67.53009	0.1
68.40742	0.1
70.58883	0.4
71.07369	3.1
81.07043	0.2
86.09699	29.0
94.72984	0.1
95.08586	0.1
98.98453	3.0
103.70441	0.1
104.10734	2.0
124.99993	19.2
140.63487	0.1
143.00998	0.3
166.02650	0.2
184.07327	100.0
185.07693	0.8
186.86111	0.1
286.47662	0.2
345.14108	0.1
447.34363	0.1
478.33054	0.1
496.33743	0.2
756.55304	3.7
757.26483	0.2
757.55286	0.3
780.04907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05510	7.3
55.15383	1.3
57.03434	3.1
57.74951	1.1
61.02941	1.5
61.91014	1.2
65.03939	2.7
65.04406	1.4
67.05508	10.8
69.03416	5.6
69.07070	2.7
70.06581	2.0
71.04975	2.7
71.65192	1.9
79.05495	10.2
81.03428	15.5
81.07082	9.6
82.06603	1.5
83.04976	5.3
83.08627	4.3
85.02904	5.1
86.09707	1.6
87.04437	1.2
89.03918	1.9
89.75200	1.3
91.05499	13.3
93.05802	1.6
93.07043	8.3
94.06561	8.0
95.04974	8.2
95.07345	2.2
95.08615	4.7
96.08121	10.1
97.02881	3.5
97.06516	3.5
97.10178	3.3
99.04462	1.6
103.05466	1.6
105.07033	4.1
106.06552	2.3
107.04974	3.0
107.08586	3.1
108.04481	4.7
108.08120	16.9
109.02887	1.9
109.06488	1.4
109.10157	3.4
110.09668	15.1
113.05948	1.6
115.05408	1.4
116.04972	3.9
117.07024	1.3
118.06570	1.6
118.42368	1.2
119.04992	1.5
119.08578	4.7
120.04463	6.2
120.08094	10.8
121.06488	1.7
121.10125	3.2
122.06051	6.6
123.04391	1.7
124.07591	6.5
125.09602	2.7
127.03906	3.7
129.05440	1.3
129.06989	4.7
131.08589	2.0
133.06442	1.6
133.10150	2.0
134.06007	4.1
135.04454	1.6
136.07568	14.0
137.05972	7.9
138.09128	15.4
143.86613	1.2
144.04433	5.1
145.06476	2.5
146.05951	7.3
147.04364	1.3
147.11627	2.9
148.07582	4.4
149.09598	2.7
155.08557	1.7
157.06522	1.9
157.10089	2.5
160.03876	6.6
161.05995	3.3
162.05505	4.2
163.03877	4.7
163.07599	2.4
163.11198	2.3
164.07077	2.8
166.08621	11.5
167.07059	5.2
171.08107	2.0
172.03929	21.9
173.06012	3.5
174.05484	3.4
175.07541	3.6
176.07043	2.7
181.06453	1.8
182.09683	2.9
183.07967	2.2
184.07414	1.6
187.07507	2.4
189.09120	2.0
189.11317	1.6
190.04988	18.6
191.07077	2.2
191.08636	1.6
193.12297	3.6
197.10814	2.2
199.07573	4.6
199.12389	5.0
204.06551	31.4
210.09305	2.3
211.08673	5.7
211.13335	3.7
212.09439	3.8
213.09032	1.4
223.12369	1.7
224.09445	1.5
225.10228	14.2
226.10890	1.8
227.11772	44.5
228.12154	1.8
229.14595	1.4
236.09425	3.1
237.10231	5.8
238.10959	3.0
239.11792	5.0
240.12463	1.9
245.12875	2.3
249.10205	4.3
251.11729	2.6
253.09720	9.4
263.08121	3.7
264.08942	1.9
265.09695	7.3
266.10361	1.7
267.11353	8.5
267.15945	1.8
269.12799	16.6
271.10757	17.2
273.12320	7.9
277.09738	3.4
278.10461	1.4
279.11301	5.9
283.10703	2.8
284.11655	3.3
285.12381	5.7
287.13907	5.2
293.09180	1.5
297.12323	9.9
299.14001	2.9
311.16565	1.8
313.12201	1.6
314.13174	1.8
315.13837	4.4
316.14410	3.1
317.15305	1.8
323.10342	2.8
325.11856	19.4
326.12903	2.5
326.16666	1.9
327.13657	3.7
328.10880	3.2
328.14365	3.4
329.17538	4.0
330.12576	2.8
330.16174	4.2
331.16824	4.4
340.14523	2.5
341.11670	2.8
341.15207	1.7
342.08774	1.5
342.12546	7.6
342.16199	2.5
343.13004	11.4
344.13821	3.0
352.14639	2.4
354.16068	2.8
355.13391	3.9
356.13873	11.5
357.14502	8.8
358.15515	8.1
368.14005	2.9
369.14569	4.0
370.11478	2.6
370.15488	11.4
371.16245	3.7
372.17014	3.6
373.17627	3.0
378.18024	1.8
380.13834	2.2
382.11865	8.7
383.12521	5.4
383.16669	2.6
384.13071	6.6
384.17505	1.8
385.13818	2.9
385.19937	1.2
386.14890	5.7
388.16406	1.9
394.15643	2.4
397.14169	1.3
398.09848	1.8
398.15039	37.7
399.15784	44.8
400.16498	6.4
401.17072	3.3
404.16003	3.6
409.13889	2.4
412.16580	4.9
414.18298	1.7
416.16095	9.7
417.16135	3.1
419.18137	33.6
420.18683	2.2
422.15042	2.1
428.16043	2.4
430.17569	2.3
440.15952	4.3
441.16476	1.7
445.16098	3.1
455.14243	1.8
458.16992	7.4
464.21753	2.4
488.21909	2.2
490.19608	6.9
502.19516	9.5
514.19849	2.6
518.23059	3.1
522.22736	2.0
526.20111	2.2
532.20764	1.8
536.20117	1.8
544.20795	10.4
548.20514	1.7
560.20264	4.0
562.21863	2.4
572.20062	2.3
578.21375	36.7
579.21265	1.8
590.21289	81.7
591.21417	4.9
593.24066	1.5
595.32568	3.0
610.24518	2.4
613.33490	3.6
622.24042	11.4
655.27869	1.5
681.28088	1.5
697.28375	7.1
699.30060	3.0
701.27527	5.1
715.29541	5.2
725.27832	16.3
739.36230	2.0
743.29187	100.0
744.29541	7.4
757.37463	5.8
775.38354	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.3
55.05263	2.7
55.05511	31.7
57.03435	20.6
57.07062	3.3
60.04527	2.1
61.02914	5.2
65.03941	4.9
67.05505	71.3
69.03429	10.4
69.07069	26.6
69.54418	3.2
69.54826	10.0
71.04980	10.1
72.58469	1.8
79.05492	63.0
79.48930	1.7
80.05797	1.6
81.02924	2.2
81.03417	75.1
81.07052	82.7
83.04982	27.9
83.08615	36.2
83.68570	1.5
85.02908	29.7
85.06549	5.9
91.03965	2.1
91.05481	65.0
93.07042	64.9
93.07642	3.4
94.07430	2.0
95.04969	38.4
95.08601	28.7
97.02925	9.6
97.06537	18.8
97.10171	8.4
99.04462	3.2
99.08088	3.3
103.05499	1.7
105.07029	47.2
107.04926	15.6
107.08596	31.8
109.02908	2.6
109.06506	9.1
109.10132	12.6
111.04436	4.6
111.08088	12.3
113.06026	2.8
115.05482	3.9
117.07007	14.3
119.08579	38.7
121.06509	5.1
121.10152	24.6
123.08049	3.6
123.11694	3.8
125.09633	5.6
127.03893	3.1
128.06203	1.5
129.06973	16.8
131.08569	29.4
133.06523	6.0
133.10123	31.0
135.08032	4.6
135.11705	14.8
137.09625	4.3
141.07004	1.9
142.07796	3.2
143.08574	3.7
145.10114	11.9
147.08035	6.5
147.11673	21.9
149.09619	15.6
149.13252	13.1
151.11218	2.5
155.08551	4.6
157.10129	21.5
159.08087	1.9
159.11696	14.9
161.09685	2.0
161.13266	2.5
163.11192	8.1
165.12820	4.2
169.10130	1.9
171.11731	2.9
173.13269	6.3
175.11211	15.5
177.12825	3.0
179.14268	2.6
183.11693	3.1
184.07321	3.8
185.13248	2.8
189.11241	2.2
193.12244	53.4
195.13803	7.7
197.13403	2.0
211.13281	78.0
227.12863	5.7
229.19458	3.6
239.18004	2.5
247.20459	2.2
255.15900	13.5
257.19049	7.6
267.15939	33.0
269.17477	38.5
269.20190	2.9
273.12051	2.0
275.20081	24.9
276.20392	2.3
285.16974	66.3
286.17410	2.5
316.28717	2.8
331.22687	1.9
349.23669	21.1
367.24792	3.8
368.40799	1.8
412.53256	1.8
439.27151	2.6
443.28162	3.0
447.27481	11.9
461.29031	33.3
465.28522	20.2
467.31653	2.0
468.67673	1.7
479.30038	100.0
480.30273	4.9
541.35223	9.0
559.36145	23.8
577.37317	4.6
623.34131	4.2
671.90796	1.9
739.43237	2.0
747.03912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.6
55.05512	34.4
57.03150	1.9
57.03436	21.8
57.07077	2.6
61.02918	6.6
65.03927	4.0
67.05505	82.0
68.05843	1.6
69.03439	11.9
69.07066	34.8
69.89545	3.3
69.89964	7.8
71.04988	10.5
71.08644	1.8
73.02918	4.9
77.03916	1.6
79.05493	79.2
81.03419	67.0
81.07056	93.9
82.07399	2.0
83.04989	26.5
83.08136	2.5
83.08621	30.4
85.02904	34.0
85.06554	6.0
86.09714	2.7
91.03941	3.6
91.05481	100.0
93.07045	76.4
94.07356	1.9
95.04973	40.0
95.08607	38.3
97.02882	11.1
97.06534	16.7
97.10181	8.4
98.21454	2.9
99.04475	2.0
99.08077	8.6
103.03899	1.4
103.05446	2.8
105.07032	81.0
107.04946	12.5
107.08588	39.2
109.02903	2.2
109.06537	10.4
109.10165	15.6
111.04403	2.8
111.08089	15.5
113.06045	3.3
115.05441	4.3
116.06258	1.9
117.07017	25.6
119.08583	61.9
121.06496	7.3
121.10139	27.7
123.08073	8.0
123.11708	5.3
125.05920	1.6
125.09618	5.3
127.03958	2.4
127.07572	2.4
128.06189	3.7
128.33121	1.5
129.05499	4.2
129.06999	21.3
130.07791	3.5
131.08571	37.0
133.06514	5.5
133.10121	52.3
133.11079	2.9
134.10481	2.2
135.08060	5.5
135.11696	16.0
137.09610	6.6
139.11238	2.2
141.06978	3.6
142.07785	5.7
143.08553	13.2
145.04977	2.1
145.06561	3.0
145.10143	23.7
147.08064	5.4
147.10503	2.4
147.11674	44.0
147.12791	2.7
148.11990	1.5
149.09636	14.1
149.13277	14.2
151.11177	3.8
155.08612	5.1
157.10139	19.7
159.08067	1.7
159.11687	19.0
160.87238	1.5
161.09604	2.8
161.13251	18.0
163.11188	10.1
163.14874	2.7
165.12791	5.5
169.10158	2.9
171.08000	2.0
171.11667	9.4
173.04414	2.2
173.13307	9.3
175.11174	19.4
175.14851	5.7
177.12776	5.7
179.14311	3.1
181.10097	2.1
183.11761	4.6
184.07373	7.1
185.09514	1.8
185.13197	8.6
187.14841	3.0
189.09349	1.8
189.11221	3.4
189.12810	2.6
193.08557	2.4
193.12250	58.7
194.12508	1.6
195.13824	6.7
197.13289	2.9
198.14149	1.6
199.14876	5.3
211.13287	59.3
211.15239	3.8
212.13524	2.0
227.12772	5.6
229.14359	2.5
229.19507	1.7
231.21060	3.7
233.15446	1.5
239.17958	3.3
241.19557	17.6
243.21358	1.7
243.24249	1.7
253.14291	2.3
257.19012	5.7
259.20590	44.6
267.15900	24.8
269.17438	18.2
273.18716	1.9
275.20050	15.6
277.21826	2.3
283.15332	9.5
285.16974	47.9
286.17474	2.2
293.20972	4.2
315.23248	6.0
325.21558	1.9
333.24249	31.7
349.23712	8.5
433.30917	3.5
451.32169	5.0
461.29031	9.0
477.28488	6.4
479.30035	23.7
515.37207	3.9
525.35852	13.0
526.36005	1.9
543.36859	36.2
544.37506	2.8
559.36133	7.4
561.37836	2.3
577.36707	4.7
647.53882	1.8
774.47369	2.5
775.38867	4.8
780.11926	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	772.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
57.02588	0.1
58.06321	0.2
58.06625	0.6
59.07385	0.2
60.08157	5.8
67.05497	0.2
69.07030	0.2
70.06610	0.1
71.06973	0.2
71.07365	3.2
71.65523	0.2
77.61332	0.1
81.06998	0.2
86.09695	29.5
87.10025	0.2
95.08601	0.2
98.98450	3.0
100.63960	0.1
104.10725	2.2
124.99989	19.3
125.64724	0.1
143.01068	0.3
160.65836	0.1
163.01462	0.1
166.02609	0.2
184.07318	100.0
185.07628	0.7
275.84036	0.1
480.12726	0.1
496.33887	0.2
592.56543	0.1
668.78998	0.1
703.33600	0.1
754.41516	0.2
754.53711	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05266	1.7
55.05509	22.9
57.03424	10.3
57.07069	3.7
57.21517	1.4
59.04984	1.4
60.38528	1.2
61.02923	15.1
65.03937	2.7
67.05506	62.1
69.03432	10.5
69.07072	21.6
71.01341	1.8
71.04983	4.3
71.08638	2.3
73.02898	7.6
75.15951	1.2
79.05492	50.3
81.03438	7.3
81.03862	1.4
81.06577	2.9
81.07057	60.3
82.07390	1.7
82.55970	1.5
83.04982	4.8
83.08626	10.4
85.02908	14.8
85.06544	2.7
86.09724	1.4
86.65245	1.4
90.48188	1.2
91.03952	8.5
91.05476	48.2
93.07040	50.7
93.07636	2.7
94.07362	2.0
95.04979	11.5
95.08606	46.1
96.08932	1.5
97.02880	14.3
97.06531	5.4
97.10172	5.0
98.21597	3.0
99.04453	1.8
99.08090	2.4
101.02351	2.4
103.05451	1.6
105.07029	48.5
107.04939	2.7
107.08590	33.7
109.02870	2.1
109.06521	3.0
109.10155	20.1
111.04432	1.9
111.08110	2.1
115.03939	1.3
115.05431	2.6
117.07027	16.9
119.08580	42.7
121.06534	1.6
121.10134	26.5
123.08060	4.4
123.11700	5.4
125.09611	1.7
127.03883	2.8
128.06206	3.3
129.07013	13.5
130.07729	1.6
131.08563	31.3
133.10127	32.4
135.08046	2.7
135.11684	17.3
137.09592	3.1
141.07016	4.5
142.07806	2.9
143.08571	13.5
144.09293	1.3
145.10124	26.5
146.10472	1.4
147.08086	1.7
147.11690	26.3
149.09657	3.0
149.13226	9.8
155.08534	7.3
156.09341	1.7
157.10132	16.2
159.08066	2.0
159.11679	25.3
161.09581	1.5
161.13243	20.6
163.11160	1.5
163.14839	5.0
166.07629	1.4
167.08585	2.0
169.10114	10.0
171.11693	15.4
173.09607	1.6
173.13274	18.4
175.14833	8.6
177.12697	1.6
177.16402	1.6
181.10143	4.8
183.11693	8.1
184.07304	3.7
185.09680	1.6
185.13240	13.3
187.14804	8.2
189.16301	1.8
195.11668	3.4
197.13257	8.2
199.14845	7.9
201.16429	3.5
203.14342	1.4
209.13261	3.2
211.14772	2.9
213.12843	1.3
213.16394	5.8
215.17828	3.4
223.14931	1.7
225.12764	1.3
225.16318	2.3
227.17972	1.8
229.19470	2.4
231.21141	2.2
237.16461	1.8
239.18102	1.8
241.19559	18.3
243.21156	3.1
255.20987	1.5
257.19012	5.4
259.20569	36.5
261.22134	6.0
271.20541	1.7
273.21954	1.7
275.20059	3.3
297.22098	2.0
299.20297	1.7
299.23639	2.0
301.21680	2.6
315.23172	3.1
331.22577	1.6
333.24246	23.7
335.25809	46.1
337.27338	2.2
343.22672	1.7
344.72498	1.5
351.26099	1.8
353.28351	2.1
367.22684	4.5
375.25238	1.4
385.23352	2.6
403.24741	2.9
421.25766	1.6
519.42175	5.3
529.38428	2.1
541.38495	1.8
593.45428	7.6
609.44727	5.2
611.46698	100.0
612.46851	5.5
623.46790	3.5
653.46973	1.5
669.41364	3.6
701.46735	3.4
719.48840	2.9
737.49414	3.8
755.50409	4.3
773.52643	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	21.1
55.05510	58.3
57.03436	28.5
57.07057	3.1
59.04985	4.0
61.02905	7.0
63.50444	1.6
65.03929	5.6
67.05503	91.2
69.03430	20.1
69.07068	52.2
70.06584	1.8
71.01355	2.2
71.04991	13.3
71.17441	3.8
73.02895	3.8
74.41080	1.6
75.41270	1.6
77.03892	2.4
79.05491	88.0
81.02930	1.8
81.03417	61.2
81.07057	98.5
83.01334	9.5
83.04981	34.3
83.08617	46.7
83.09108	2.2
85.02907	27.7
85.06542	3.4
91.05479	80.5
92.05807	1.5
93.07041	90.6
95.04967	39.3
95.08602	44.9
97.02898	19.5
97.06528	20.1
97.10155	23.2
99.04483	4.1
99.08099	3.8
103.05450	4.6
105.04540	2.4
105.07030	67.6
107.04951	27.9
107.08591	56.9
109.02878	3.6
109.06516	19.5
109.10126	19.7
111.04440	7.6
111.08067	12.9
113.06042	2.8
113.09653	1.6
115.05424	5.7
117.07016	30.7
119.04935	3.2
119.08578	55.1
121.06524	11.0
121.10146	29.5
123.04424	2.7
123.08067	17.3
123.11684	4.3
125.06015	3.1
125.09645	21.1
127.03915	5.3
128.06204	3.6
129.05501	3.3
129.07002	14.7
130.07768	3.0
131.08565	37.1
133.06464	5.8
133.10127	29.5
135.08023	9.6
135.11687	23.2
137.09634	5.6
139.11127	1.8
141.06963	2.9
142.07771	3.8
143.08560	8.2
144.05644	1.9
145.04973	2.3
145.06477	3.0
145.10117	40.6
147.08057	13.8
147.11671	20.6
149.09602	21.4
149.13251	11.8
151.11159	4.3
153.09132	2.2
153.12701	4.3
155.08533	5.5
157.10146	16.2
159.07990	2.2
159.11684	12.9
161.09598	5.7
161.13292	3.4
162.10335	2.3
163.11200	38.0
165.09203	2.2
165.12793	4.0
169.10112	6.2
171.11676	6.2
173.09576	8.0
173.13252	6.1
175.11188	10.2
177.12711	6.4
179.14323	2.3
181.10220	2.3
181.12247	4.6
183.11656	3.7
185.13264	2.3
187.11217	2.2
187.14806	2.7
189.11201	10.4
191.10703	5.4
193.12236	29.6
195.13766	5.0
199.14764	1.7
201.12694	1.8
205.12250	2.2
209.11687	9.2
211.13287	44.5
217.15912	1.7
223.13300	15.6
227.12746	32.4
229.14357	1.9
233.15306	2.2
239.17885	2.7
245.18973	2.1
247.20610	2.1
249.14821	5.4
253.14325	3.8
255.15755	10.4
257.19064	10.8
259.20685	2.1
265.14279	2.1
266.94604	1.8
267.15915	31.2
269.17459	21.1
273.18491	15.4
275.20068	38.3
283.15393	92.1
285.16980	33.5
291.19543	100.0
292.20013	1.9
293.21069	3.4
313.21915	1.9
316.38120	1.7
331.22534	2.1
347.22156	2.3
349.23770	35.5
365.23254	49.2
367.24832	2.8
379.21228	2.4
383.98441	2.2
437.25085	3.0
453.25058	5.4
459.27328	4.0
461.28848	2.4
463.26929	24.4
465.29816	2.5
477.28479	93.6
478.28812	3.5
517.31372	3.2
539.33832	6.6
557.34729	78.1
575.35724	64.2
621.31696	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.6
55.05269	2.0
55.05511	32.3
57.03437	13.8
57.07069	3.7
59.04989	2.7
61.02912	3.6
65.03920	3.2
66.15080	1.4
67.05502	57.5
69.03425	8.1
69.06721	2.1
69.07064	30.3
70.06583	3.8
71.04985	7.6
71.63399	2.4
73.02913	3.9
79.05489	61.9
81.03416	16.7
81.07049	64.4
83.01336	3.3
83.04982	17.3
83.08616	20.4
85.02885	7.4
85.06541	2.9
86.09697	2.5
91.05473	46.5
92.05860	1.6
93.07035	75.7
95.04968	19.3
95.08601	47.6
97.02900	7.8
97.06525	16.1
97.10172	10.6
99.04486	7.3
99.08098	3.0
103.05458	3.2
105.07023	35.0
107.04964	16.6
107.08585	58.2
109.02863	2.3
109.06508	8.9
109.10143	11.7
111.04481	2.9
111.08046	6.2
113.05974	1.8
117.06210	2.4
117.07000	24.6
119.08585	30.3
121.06506	9.2
121.10137	23.5
123.04427	1.5
123.08065	9.8
123.11709	3.3
125.05951	1.7
125.09611	10.8
127.03919	3.9
128.06204	1.5
129.06995	6.4
130.07750	2.8
131.08571	17.3
133.10133	22.7
135.08051	6.5
135.10686	2.7
135.11682	47.7
137.09601	4.4
139.07512	2.3
139.11203	2.7
141.06967	1.7
143.08548	4.9
145.06346	1.6
145.10115	48.2
146.10471	1.3
147.08083	2.1
147.11664	11.4
149.09624	12.9
149.13237	7.5
151.11168	2.6
153.12755	3.0
155.08525	3.5
157.08879	1.5
157.10095	4.4
159.11691	12.7
161.13271	4.3
163.11172	65.1
165.12721	1.7
169.03058	1.3
169.10110	3.2
171.11673	4.6
173.09550	3.4
173.13254	5.0
175.11226	3.0
177.12737	2.2
179.14183	2.1
181.12228	10.3
183.11754	1.8
184.07336	5.2
185.13165	2.5
185.37331	1.4
187.11089	2.3
189.11205	5.4
191.10680	3.3
193.12248	2.8
195.13805	3.1
197.13251	2.3
199.14851	2.1
209.11699	6.4
211.13225	1.8
217.15936	1.9
227.12764	93.4
229.14348	2.1
229.19458	2.6
239.17896	4.3
247.20496	3.5
255.15810	10.7
257.19040	12.7
267.15906	3.7
269.17514	19.2
275.20032	41.0
283.15390	100.0
291.19409	2.4
293.21002	5.6
309.20612	1.7
321.24255	2.2
331.22629	5.4
333.24112	2.3
349.23737	42.7
365.23083	1.8
367.24643	4.7
379.20901	2.0
437.25027	1.9
445.46423	1.5
453.24979	6.7
461.28738	2.9
463.26907	24.1
477.28458	71.5
499.30981	1.6
517.31671	4.5
539.33649	4.1
557.34717	62.7
575.35773	10.3
737.81427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.7
55.05268	2.1
55.05515	28.3
55.94697	1.3
57.03442	16.7
57.07069	2.0
59.04993	3.1
61.02928	4.1
62.05555	1.3
65.03923	2.9
67.05505	53.1
69.03431	8.1
69.07065	21.6
70.88026	4.1
71.04997	6.2
73.02921	2.0
79.05492	52.1
81.03426	23.2
81.07056	61.1
83.01328	6.8
83.04982	19.3
83.08622	21.1
85.02911	9.4
85.06560	3.3
86.09651	1.9
91.03970	2.4
91.04916	1.7
91.05482	41.3
93.07046	57.0
93.55270	1.2
95.04977	18.8
95.08608	28.4
96.04503	1.4
97.02895	8.3
97.06526	13.0
97.10171	5.4
99.04444	2.4
99.08120	2.2
103.05436	1.7
105.07031	31.5
107.04962	14.1
107.05641	1.7
107.08595	33.2
108.13430	1.5
109.02910	2.4
109.06533	9.7
109.10151	11.2
111.04437	3.0
111.08060	6.7
114.90981	1.2
115.05430	1.7
117.07027	15.6
119.08585	22.3
121.06496	5.0
121.10131	15.7
123.04324	1.4
123.08070	7.7
123.11679	2.9
125.05952	1.8
125.09650	4.6
127.03912	1.6
129.05464	1.7
129.06996	4.2
130.07819	1.5
131.08577	16.0
133.10115	17.5
133.37398	1.3
135.08041	5.1
135.11685	21.2
137.09634	3.8
139.07532	1.5
141.06976	1.6
143.08578	3.0
144.09433	1.3
145.06479	2.6
145.10124	22.2
146.75148	1.3
147.08014	2.4
147.11697	8.1
149.09612	8.4
149.13254	7.4
151.11156	3.6
153.12697	2.0
155.08572	2.9
157.10120	4.7
159.08168	1.4
159.11722	10.1
161.09663	1.8
161.13255	3.2
163.11171	27.3
169.10223	2.3
171.11749	2.0
173.04483	1.6
173.09644	3.8
173.13293	2.5
175.11182	2.6
177.12773	3.8
181.12242	3.7
183.11899	2.1
184.07336	2.9
191.10660	3.8
193.12270	3.8
195.11824	1.5
195.13741	6.6
197.13422	1.4
209.11732	7.8
211.13332	5.8
213.14906	1.5
227.12817	5.6
247.20695	1.5
253.14362	4.0
255.15895	5.9
257.19022	4.3
265.14279	2.3
267.15988	3.9
269.17471	25.7
273.18506	2.7
275.20090	15.0
283.15411	75.3
285.17084	2.2
291.19543	6.2
306.96439	1.4
324.98911	1.4
349.23746	10.9
365.23120	3.1
413.21683	2.5
437.24930	1.5
459.27802	1.7
463.26935	17.8
477.28516	100.0
539.34100	2.3
557.34851	19.1
575.35693	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	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01654	1.4
55.01874	16.5
55.05506	41.7
57.03432	22.1
57.07072	4.2
59.04979	4.8
61.02926	10.8
65.03941	3.3
66.29518	1.6
67.05498	78.9
69.03419	12.0
69.07056	29.2
70.06599	2.4
71.01332	2.9
71.04990	10.5
71.08618	2.3
71.65864	2.0
73.02913	3.6
75.90486	1.6
79.05484	84.2
80.05801	1.6
81.03412	30.3
81.07049	79.3
83.01324	11.1
83.04964	24.5
83.08606	24.6
85.02902	15.3
85.06500	2.7
86.09693	3.5
87.04433	1.7
91.03943	5.5
91.05474	86.5
93.07037	100.0
95.04961	25.3
95.08035	2.7
95.08601	43.2
97.02876	13.5
97.06517	15.6
97.10152	7.8
98.09644	2.3
99.04420	5.1
99.08065	5.6
103.05466	5.0
105.04478	3.0
105.07021	78.6
105.74720	1.6
106.07331	1.8
107.04939	17.7
107.07849	2.5
107.08583	48.8
109.02866	3.0
109.06492	15.7
109.10159	17.8
111.04425	6.5
111.08076	6.7
113.09634	3.8
115.05405	3.3
117.07012	32.4
119.08572	63.9
120.08916	1.8
121.06498	10.7
121.10121	27.7
123.08055	18.5
123.11703	3.8
124.99992	1.8
125.06003	3.0
125.09604	9.1
127.03873	5.2
128.06197	3.8
129.05467	4.1
129.06970	15.7
131.08553	35.5
133.10110	44.9
133.11064	3.4
134.55362	1.9
135.08080	8.0
135.11676	30.0
137.09567	5.6
139.07539	1.9
142.07770	2.7
143.08540	14.7
145.04968	2.7
145.06415	3.2
145.10120	41.0
147.08040	5.1
147.11670	33.3
149.09621	11.6
149.13269	13.8
151.11177	2.6
153.12717	4.6
155.08540	5.5
155.99442	1.9
157.10161	10.7
159.11687	21.1
161.09686	2.5
161.13217	17.5
163.11177	38.7
171.11641	12.7
173.09624	5.0
173.13268	12.3
175.11110	2.4
175.14825	3.9
177.12744	4.0
179.14297	2.5
181.12230	3.6
183.11649	6.2
184.07335	12.0
185.13208	7.5
187.11295	1.9
187.14807	2.3
189.11302	3.5
191.10634	3.7
195.13751	6.6
197.13258	2.4
199.14786	5.3
209.11627	13.0
227.12750	16.0
229.19499	3.5
241.19562	11.4
251.16412	1.9
253.14252	3.8
257.18848	7.9
259.20554	40.0
267.15759	2.0
269.17392	11.0
275.20068	20.5
281.17279	3.0
283.15359	79.7
293.21112	2.8
297.22058	4.3
315.23111	5.5
333.24234	26.0
349.23676	7.6
431.28867	2.0
437.25177	2.6
449.30176	4.6
467.31061	2.2
476.30774	2.4
477.28336	43.4
483.51852	2.0
489.28430	3.3
523.34076	3.2
539.32642	1.8
541.35138	35.1
557.34741	2.1
559.36121	6.0
575.35419	3.5
767.17340	2.1
772.39038	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	772.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.5
55.05511	39.7
55.22958	2.0
56.62281	2.2
57.03434	27.2
57.07091	2.5
59.05000	29.2
61.02919	2.8
65.03927	3.4
67.05502	92.6
69.03415	10.3
69.07066	17.3
70.06585	5.3
71.04990	21.9
79.05064	4.0
79.05491	53.9
81.03415	100.0
81.06584	3.3
81.07053	58.6
83.04984	19.4
83.08618	30.4
85.02917	14.2
85.06548	6.5
87.04462	33.9
91.05482	51.5
91.06056	1.8
93.07030	37.9
95.04968	40.0
95.08607	21.3
97.02885	11.0
97.06520	10.4
97.10175	21.6
99.04444	11.7
101.22031	2.2
103.05479	2.6
105.07034	30.3
107.04958	21.8
107.08589	26.2
109.02879	2.8
109.06511	9.3
109.10155	57.4
111.04443	10.2
111.08084	13.2
115.05388	2.9
117.07034	13.0
119.04927	2.7
119.08573	25.5
121.02862	2.8
121.06503	9.6
121.10135	26.0
123.04430	9.1
123.08036	6.0
123.11658	2.6
124.07558	2.8
124.09687	2.5
125.09627	16.2
127.03944	2.8
128.06171	2.3
129.07002	22.6
131.08565	25.5
133.06477	6.7
133.10127	17.8
135.04384	8.0
135.08058	6.0
135.11699	9.4
137.05991	6.1
137.09650	3.5
141.06979	2.8
142.07709	5.2
142.08688	2.4
143.08585	4.4
145.06476	3.3
145.10138	10.6
147.04401	3.5
147.08037	10.4
147.11690	19.7
149.09628	22.6
151.07494	2.4
153.09151	5.5
153.12761	11.1
155.08582	5.4
157.06447	2.9
157.10133	22.3
159.11726	3.2
161.05952	6.4
161.09662	3.7
163.03868	5.7
163.07492	2.8
163.11122	18.1
165.12796	3.9
167.10551	2.3
169.10089	4.4
171.11702	4.1
173.06013	2.6
173.09630	4.2
173.11777	12.0
173.13130	2.7
175.11180	16.7
177.05548	2.3
177.12813	3.3
179.14377	2.8
181.12280	10.7
183.11778	3.3
185.13280	5.1
189.09212	2.4
189.11230	13.7
189.12726	3.1
191.10674	6.7
193.12227	65.3
193.13872	4.5
197.15335	2.4
199.07637	2.6
199.11540	2.6
199.13332	9.8
201.12852	3.4
203.14357	3.7
207.13753	3.3
209.11621	14.6
210.50336	2.2
211.13264	44.5
217.12259	4.8
219.13948	3.3
221.15413	3.1
223.13260	3.9
225.14783	15.7
227.12769	22.2
229.14317	42.3
231.13727	4.3
235.13295	3.6
247.13417	10.9
249.14818	17.9
259.13193	4.2
260.96057	2.3
267.15918	72.4
273.14792	3.1
275.13040	3.0
277.14706	2.3
283.15347	18.8
286.23947	2.3
307.11871	2.6
307.15247	2.5
309.17087	5.0
315.18066	5.5
333.18634	2.3
337.21625	6.5
355.22543	12.4
365.21014	10.1
373.23672	6.1
383.22183	30.5
401.23148	24.2
415.24783	6.0
421.25916	30.3
433.25616	6.4
447.26978	3.2
457.25922	8.0
475.27011	18.9
489.28055	4.7
493.27893	8.4
507.29514	18.2
525.30707	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	2.3
55.05507	12.4
57.03437	5.9
57.07064	2.5
59.92772	0.5
61.02919	16.3
65.03906	0.9
67.05499	22.6
68.05822	0.6
69.03423	10.1
69.07063	10.8
71.01304	1.5
71.04954	2.3
71.07301	0.5
71.08611	0.8
71.65022	0.7
73.02559	0.7
73.02911	9.9
75.04440	0.5
77.03912	0.6
79.05484	18.4
81.03414	6.0
81.07051	24.3
83.04942	1.6
83.08611	6.3
85.02896	14.0
85.06480	1.6
86.09682	0.7
87.04478	0.8
91.03951	6.7
91.05469	15.9
92.03515	0.5
93.06471	1.0
93.07037	18.1
95.04965	3.0
95.08598	20.3
97.02882	11.4
97.06492	2.3
97.10172	2.9
99.04432	1.5
99.08086	1.2
101.02331	2.1
103.03944	0.4
104.77834	0.5
105.04536	0.7
105.07023	15.3
107.04907	2.4
107.08582	11.9
108.63730	0.5
109.02837	1.5
109.06480	1.9
109.10150	8.6
111.08050	1.8
111.11664	0.5
115.05428	1.6
117.07010	8.4
119.08575	13.3
121.06458	0.8
121.10133	7.7
123.08060	0.7
123.11689	2.1
124.99948	0.6
125.09592	1.3
127.03912	3.4
128.06187	3.1
129.06979	10.9
130.07741	0.8
131.08549	13.6
133.06438	1.1
133.10120	9.7
134.10559	0.5
134.25439	0.6
135.08002	1.1
135.11681	4.1
137.05951	0.8
137.09602	1.0
137.13242	1.0
141.06970	5.7
142.07721	2.3
143.08557	12.5
145.05005	1.0
145.06387	0.7
145.10104	12.8
147.11665	5.4
149.09613	0.9
149.13222	2.3
153.06941	1.5
154.07712	1.3
155.08531	11.3
156.09363	2.6
157.08917	0.9
157.10126	13.4
159.11673	8.8
161.13232	2.5
163.11134	0.9
163.14819	0.6
165.09099	0.7
166.07739	1.4
167.08537	5.6
168.09351	1.6
169.10114	15.9
170.10780	0.7
171.08092	0.6
171.11679	11.6
173.09589	0.6
173.13257	6.0
175.14766	1.8
178.07693	0.8
179.08537	2.2
180.09286	1.3
181.10094	7.2
182.10837	1.7
183.11674	13.6
184.07300	1.2
184.12349	0.8
185.13243	8.1
187.14816	2.9
189.16356	0.9
193.08545	3.7
193.10152	3.1
194.09032	1.3
194.10768	0.9
195.11691	9.9
196.12440	0.8
197.13263	11.1
198.13820	0.8
199.14816	6.5
201.16316	1.6
203.17999	0.8
205.10146	0.8
207.11671	3.7
208.12396	0.9
209.13258	6.9
210.13759	0.7
211.13290	0.6
211.14836	5.4
213.16440	3.4
215.17860	1.2
219.11629	1.9
221.13234	2.9
222.14001	0.9
223.14731	5.1
224.15283	0.6
225.16399	4.2
227.18018	2.5
231.11636	0.7
233.13240	1.3
234.14040	0.5
235.14813	2.5
237.12747	0.6
237.16437	2.5
239.14308	0.6
239.18016	2.5
241.19659	1.2
245.13185	0.7
247.14851	1.4
249.16418	1.6
251.17953	2.1
253.19510	1.2
257.18860	0.7
263.17978	1.3
265.19516	1.4
277.19394	1.3
279.20950	0.9
283.20511	0.8
295.24194	0.8
297.22235	0.7
303.17389	0.5
309.22012	0.8
311.20367	0.6
311.23715	0.7
321.22278	1.1
323.23767	0.8
325.25272	0.8
337.25293	1.0
347.23593	0.6
349.25497	0.9
351.26846	1.3
363.26904	1.4
365.28537	1.3
377.28418	1.1
379.30389	0.6
381.27866	0.8
395.29291	0.7
403.29929	0.9
409.30914	0.9
429.31726	0.6
449.33408	0.7
459.31793	0.7
499.39780	1.4
501.35684	0.9
513.35675	0.7
515.38031	1.1
517.40393	6.5
521.35999	0.8
525.35596	0.7
527.37207	0.9
535.41687	3.7
539.37378	1.6
541.39215	1.6
553.41296	0.6
565.42535	0.7
567.40302	1.0
573.43286	0.9
581.41901	0.7
589.42169	0.6
591.43915	7.1
592.44812	0.7
607.43622	2.6
609.45068	100.0
610.45380	4.9
619.44061	0.6
621.44922	1.4
633.44843	1.0
651.46777	1.2
717.46985	1.3
735.48291	1.8
753.49567	1.4
771.50195	21.2
772.50635	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	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.5
55.05417	7.4
55.05718	1.7
57.03337	4.2
57.03651	1.0
57.06974	1.8
61.02825	13.3
61.03175	2.8
65.03853	1.1
67.05399	17.1
67.05801	2.9
69.03320	6.8
69.03740	1.2
69.06960	6.7
69.07368	1.0
71.01247	1.1
71.01604	0.4
71.04876	1.7
71.08544	0.6
71.64620	0.4
73.02805	7.2
73.03246	1.1
79.05375	12.3
79.05886	1.6
81.03297	2.6
81.06940	17.8
81.07468	2.1
83.01228	0.4
83.04861	1.3
83.05305	0.4
83.08500	4.3
85.02782	11.2
85.03345	1.2
85.06468	0.7
87.04351	0.4
91.03836	5.6
91.05355	11.5
91.05989	1.0
93.06919	13.6
93.07543	1.2
95.04834	1.9
95.08477	16.3
95.09138	1.4
97.02766	11.4
97.03434	1.0
97.06508	1.8
97.06947	0.5
97.10030	2.5
99.04371	1.0
99.07970	0.5
101.02242	2.4
103.05387	0.7
105.06893	12.7
105.07664	1.0
107.04823	0.8
107.08454	9.0
109.02776	1.2
109.06410	0.9
109.10148	6.1
111.07951	1.0
111.11646	0.4
115.03793	1.2
115.05304	1.3
115.77625	0.4
117.07018	7.4
119.08575	11.8
121.10141	5.8
123.07951	1.2
123.11572	1.2
125.09515	0.8
127.03886	2.7
128.06232	2.2
129.06995	8.8
130.07689	0.5
131.08569	9.9
133.06400	0.6
133.10120	7.9
134.07092	0.4
135.07921	0.7
135.11697	3.9
137.09543	0.4
137.13148	0.8
139.11061	0.6
141.06999	4.2
142.07768	2.6
143.08553	10.0
144.09145	0.7
144.23410	0.4
145.04887	0.7
145.10114	10.4
146.10815	0.4
147.07944	0.4
147.11682	4.8
149.09532	0.6
149.13277	1.8
149.14195	0.3
153.06815	1.4
154.07622	1.3
155.08548	9.0
156.09192	1.1
157.10127	12.2
159.11690	7.5
161.13269	3.1
162.48309	0.4
163.10999	0.4
163.14619	0.6
165.06895	0.9
165.12695	0.6
166.07651	1.1
167.08546	4.0
168.09177	1.5
169.10110	12.1
170.10695	0.6
171.11691	9.2
173.13280	5.4
175.14691	1.4
177.16310	0.4
178.07751	0.6
179.08517	2.0
180.09184	0.6
181.10129	7.8
182.10701	1.2
183.11694	11.5
183.13264	0.5
184.12248	0.6
185.13237	6.9
187.11131	0.4
187.14806	3.0
189.16296	0.8
191.08455	0.7
193.10155	2.1
194.10817	0.8
195.11687	7.5
196.12230	0.7
196.14139	0.4
197.13254	9.7
199.14839	4.0
201.12573	0.4
201.16202	1.6
203.17903	0.9
205.09938	0.8
207.11723	2.5
208.12299	0.4
209.09435	0.4
209.11526	0.5
209.13245	6.6
210.13765	0.5
211.14825	7.0
213.12701	0.7
213.16394	3.2
215.17743	0.9
218.10822	0.5
219.11487	0.6
220.12332	0.5
221.13223	3.1
223.14828	4.7
225.12721	0.4
225.16385	3.8
227.17833	1.8
233.13168	1.2
234.13908	0.6
235.14760	2.2
237.16321	2.8
238.16969	0.4
239.18062	2.4
241.19577	0.8
243.17473	0.6
245.13104	0.5
247.14720	0.8
249.16426	2.0
251.17967	2.1
253.19362	1.3
253.57063	0.4
257.19012	0.9
259.14685	0.4
261.16357	0.5
263.17795	1.1
265.19318	1.6
267.21216	0.7
269.18793	0.6
273.22110	0.4
275.20233	0.5
277.19373	1.1
279.20779	0.7
281.18835	0.5
281.22485	0.4
283.20255	0.5
291.20807	0.7
293.22260	0.6
295.20322	0.6
297.21924	1.0
305.97141	0.4
307.20291	0.9
309.21994	1.0
311.20178	0.5
311.23660	0.5
313.21432	0.5
313.24893	0.4
321.22049	1.0
323.23694	1.4
325.21460	0.5
325.25110	0.7
327.22995	0.9
335.23541	0.6
337.25201	1.0
339.23065	0.6
339.26648	0.9
341.24545	0.6
347.23267	0.6
349.24985	0.7
351.26761	1.5
353.24576	0.5
363.26782	0.9
365.28339	1.0
367.26306	0.6
369.27786	0.5
375.26563	0.5
379.25787	0.8
379.30069	0.7
381.27609	0.7
389.27765	0.5
391.29993	0.7
393.27164	0.7
393.31454	1.1
401.27368	0.5
405.31485	0.7
407.29037	0.7
409.30887	0.7
410.00015	0.4
433.29800	0.5
435.32355	0.8
447.32275	0.9
449.34079	0.6
461.33719	0.6
475.34396	0.6
487.34048	0.4
499.33441	0.6
499.39606	0.7
501.35370	1.1
513.36005	1.0
515.37524	1.1
517.40460	6.3
518.40662	0.6
521.36450	0.8
525.35754	0.7
527.37476	1.0
535.41614	3.4
539.37494	2.4
540.37738	0.7
541.38672	1.7
553.40747	0.5
555.41064	0.5
567.40430	0.7
573.42755	1.0
579.41058	0.4
591.44141	6.6
593.45605	0.5
607.43201	2.3
609.45099	100.0
610.45349	4.2
610.93494	0.5
611.46649	1.0
621.44781	1.1
633.44403	0.5
651.46405	1.1
699.46582	0.7
717.47668	1.0
720.78204	0.5
735.48065	1.4
753.49329	1.6
771.50415	18.8
772.50592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64698	1.9
55.01869	10.4
55.05510	31.3
57.03438	13.4
57.07073	2.7
58.12973	1.8
65.03928	5.0
65.05172	1.8
67.05501	79.1
67.31683	1.7
68.68070	1.8
69.03424	7.4
69.07072	31.4
69.99890	4.8
70.00278	4.0
71.04982	3.9
73.02908	3.3
73.06535	2.7
75.18142	2.0
77.03921	3.5
79.05489	100.0
81.03417	19.0
81.07054	82.3
83.04983	17.6
83.08616	12.8
85.02889	4.5
85.06541	6.4
85.99975	1.8
86.09698	7.4
86.23307	2.1
91.04888	2.2
91.05473	81.3
93.07039	99.8
95.04966	31.2
95.08598	41.7
97.02849	2.6
97.06521	20.0
97.10168	9.5
99.04470	2.0
99.08072	3.5
103.05492	2.8
105.04605	1.9
105.07025	56.6
107.04943	15.4
107.08589	44.4
109.02872	2.6
109.06518	8.2
109.10136	15.9
111.08042	5.4
113.44936	1.9
115.05455	3.9
117.07020	19.4
119.08575	42.5
120.08148	2.6
121.06490	7.4
121.10136	16.7
123.08076	6.6
123.11710	3.9
125.09642	6.9
127.03905	3.9
128.06195	3.4
129.06996	20.8
130.07840	2.5
131.08588	17.0
133.06477	3.7
133.10132	27.9
135.08076	3.4
135.11693	11.6
143.08556	10.8
145.06474	2.7
145.10106	27.0
147.08006	4.1
147.11681	38.5
149.09648	11.9
149.13254	6.4
155.08582	3.9
157.10085	4.7
159.11678	10.3
161.09590	3.7
161.13235	10.1
163.11183	12.4
169.10136	3.9
171.11676	28.3
173.13254	5.4
175.11197	2.3
177.12791	3.6
179.14340	4.3
181.12180	2.2
183.11685	3.7
184.07344	2.3
185.13249	2.9
187.11179	2.3
189.11191	3.9
189.12785	11.6
193.08589	8.0
195.11891	2.0
195.13762	3.7
207.13820	32.7
225.14833	3.8
227.12766	14.0
229.19379	3.3
239.18027	2.9
253.14397	3.9
255.15895	6.0
257.18967	7.1
269.17511	12.2
273.18314	1.9
275.20053	36.5
275.67935	1.8
279.15903	2.9
281.17465	69.3
293.21246	3.9
349.23706	21.3
435.27399	2.9
451.27209	2.8
461.29013	24.0
475.30527	90.5
476.30972	2.5
515.33289	2.4
555.36816	50.0
556.36926	3.5
573.37366	6.4
619.34564	2.9
770.49872	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	771.2327
Annotation	Rhamnetin 3-O-rhamninoside
Peak:m/z	Relative Intensity
55.01855	0.4
55.05498	0.4
57.03434	1.9
58.78748	0.1
59.04966	0.3
60.18570	0.1
61.02905	0.5
65.03928	0.2
67.05482	0.2
69.03431	1.2
70.00298	0.8
70.06592	0.3
71.01332	0.3
71.04989	10.0
73.02915	1.0
75.04465	0.5
81.03397	0.6
83.04980	2.3
85.02897	13.1
87.04456	0.2
93.03358	0.2
95.04955	0.6
96.55622	0.2
97.02896	1.2
97.06544	0.2
99.04434	0.5
100.61455	0.2
105.07050	0.2
109.02871	0.5
111.04433	2.1
113.06002	0.2
117.05479	0.3
121.02876	0.5
123.04441	0.7
125.02342	0.3
127.03941	0.9
129.04504	0.2
129.05466	3.4
133.06528	0.2
137.02301	1.5
137.05968	0.2
139.03838	0.2
141.05466	0.2
145.04945	0.6
147.06511	1.1
149.02350	0.4
151.03894	0.6
153.05463	0.5
163.03909	0.7
163.06007	0.4
167.03400	2.2
179.03404	0.9
179.04742	0.2
180.04259	0.2
194.83456	0.2
197.04408	0.6
197.06061	0.2
200.04662	0.3
215.06987	0.5
219.74655	0.2
233.07928	0.2
239.09102	0.9
243.06499	2.5
250.66971	0.2
254.98621	0.2
257.10178	0.2
261.07550	0.5
271.06079	1.5
274.04694	1.5
275.11182	0.2
288.06253	0.6
293.12076	0.3
299.05463	0.8
302.04233	1.9
317.06534	100.0
318.06891	2.3
329.06491	0.6
359.07520	0.8
423.08411	0.2
427.10141	0.5
445.11407	0.2
463.12228	0.8
479.11737	1.6
585.42010	0.2
741.61920	0.2
797.29626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79078	2.7
55.01861	9.1
55.05508	32.7
57.03435	12.3
57.07076	5.9
65.03941	6.9
67.05502	82.0
69.03426	4.2
69.07069	26.3
71.04993	4.3
71.08614	4.4
71.64726	3.7
79.05489	98.8
81.03424	20.0
81.07053	75.1
83.04988	19.1
83.08617	13.3
85.06549	8.0
86.09692	6.3
91.05478	100.0
92.05866	3.1
93.07037	93.7
94.07368	3.0
95.04964	29.8
95.08611	39.7
97.02866	5.1
97.06532	13.1
97.10160	6.8
99.08126	4.1
103.05492	4.5
105.07030	75.0
107.04961	7.2
107.08595	43.9
109.06533	8.5
109.10158	15.9
111.08077	6.7
117.07021	22.7
119.08590	46.9
121.06482	9.5
121.10146	17.3
123.08064	10.4
123.11647	3.1
125.00023	3.1
125.09642	2.9
128.06253	7.4
129.06989	17.8
131.08543	24.8
133.10114	35.9
135.08118	3.6
135.11693	11.1
143.08560	12.8
145.10112	28.5
147.08006	3.6
147.11676	46.5
147.15657	2.9
149.09633	7.0
149.13251	11.8
157.10094	7.2
159.11688	13.1
161.09621	6.8
161.13232	20.8
163.11179	7.3
163.14752	3.1
169.10107	4.5
171.11668	33.7
173.13283	12.0
175.14825	5.6
179.14285	4.6
181.14125	3.3
184.07350	14.5
185.13210	7.1
189.12758	10.3
195.13745	2.8
207.13800	22.9
223.14799	3.3
229.26132	3.3
241.19508	11.7
257.18991	4.1
259.20490	18.3
269.17471	10.2
275.20108	9.3
279.15881	5.7
281.17450	46.5
293.20963	3.1
305.64264	3.1
315.22949	3.5
333.24127	20.8
349.23730	8.1
475.30600	39.1
539.37274	27.9
555.36328	3.8
557.38190	10.5
573.37653	7.2
611.46521	12.1
629.18573	3.3
647.66522	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	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.1
55.05513	26.7
57.03435	11.7
58.23930	2.0
59.04996	3.1
61.02914	3.7
65.03934	3.5
67.05505	73.5
67.43692	1.8
67.70665	1.6
69.03412	5.6
69.06730	2.3
69.07068	26.1
70.23124	1.8
71.04985	6.2
73.02892	1.8
73.06553	2.1
79.05492	70.1
79.72315	2.1
81.03408	14.3
81.07058	76.1
83.01339	3.2
83.04990	15.7
83.08610	14.2
85.02882	4.3
85.06541	4.7
91.05479	71.0
93.07042	79.4
95.04964	19.1
95.08607	33.4
97.02892	4.5
97.06535	13.9
97.10161	6.6
103.05474	2.6
105.07028	57.2
107.04961	12.6
107.08601	38.8
109.06517	9.3
109.10155	25.2
111.08070	6.8
115.05415	2.9
117.07001	16.2
119.08581	31.6
121.06503	6.8
121.10135	13.5
123.08090	6.5
123.11687	5.7
125.09656	2.9
129.07050	11.0
130.07735	2.5
131.08566	17.7
133.06506	5.2
133.10127	41.2
134.10399	2.3
135.08052	5.8
135.11707	13.8
137.09601	3.8
138.52649	1.8
143.08557	10.9
145.10101	18.6
147.08032	3.6
147.11696	28.8
149.09618	8.4
149.13264	7.0
151.11183	13.4
153.09108	2.0
157.10168	4.0
159.11678	9.4
161.09601	8.8
161.13295	10.4
163.11186	12.9
165.09132	3.5
171.11725	16.6
173.13290	3.0
177.12767	4.0
179.14258	1.9
181.12190	4.6
185.13321	2.3
189.12743	5.2
193.08611	24.0
195.13849	2.9
207.13853	18.1
209.11754	3.3
227.12758	4.4
253.14359	59.0
254.64259	2.0
255.15880	3.6
257.19083	4.8
259.20767	3.3
263.20059	3.2
269.17548	14.5
273.18481	8.7
275.20074	13.1
281.17471	45.9
283.15436	20.8
291.19516	10.7
327.80106	2.1
329.21014	2.4
333.24088	3.4
347.22321	3.9
349.23642	11.8
365.23300	11.0
419.24072	2.2
457.29398	2.4
461.28824	17.4
475.30554	100.0
476.30753	3.3
479.26358	7.4
555.37103	21.1
573.34015	26.2
619.34930	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	770.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11523	0.8
55.01867	10.3
55.05256	1.6
55.05508	25.9
56.05852	0.8
57.03436	8.7
57.07062	1.0
58.52526	0.9
59.04996	2.3
61.02908	3.2
65.03922	2.8
67.05501	31.3
69.03428	8.1
69.06714	1.5
69.07065	22.2
70.06584	1.6
71.01324	0.9
71.04979	3.8
71.64459	0.8
73.02888	1.5
79.05488	31.1
81.03408	13.9
81.07053	30.6
83.01327	4.6
83.04973	11.5
83.08612	14.9
83.16972	1.0
85.02899	6.8
86.09694	1.4
91.03938	1.3
91.05473	27.8
92.05785	0.9
93.07040	29.5
94.76630	0.8
95.01366	1.0
95.04966	13.2
95.08602	14.8
96.01208	0.9
97.02893	12.4
97.06532	5.4
97.10168	11.6
99.04440	2.2
103.05451	2.9
105.04456	1.1
105.07026	32.9
106.07441	1.2
107.04945	12.1
107.08589	19.2
109.02872	1.2
109.06519	6.8
109.10143	6.6
111.04433	2.5
111.08091	3.0
112.90998	0.9
115.05438	2.7
117.07020	11.0
118.04133	1.6
119.04958	1.4
119.08578	16.9
119.09359	1.8
120.05687	1.3
121.06503	6.7
121.10142	11.0
123.08070	7.5
123.72153	0.9
125.06007	1.0
125.09618	10.0
127.03946	1.1
128.06210	1.4
129.06996	6.0
130.07774	1.6
130.56271	0.8
131.08572	11.0
133.06516	11.3
133.10124	7.6
135.04433	1.2
135.08041	5.2
135.11678	9.3
137.06000	3.4
137.09618	2.0
139.07564	1.5
141.06972	1.4
142.07800	1.6
143.06679	0.8
143.08623	5.2
145.06450	1.6
145.10120	15.5
147.08046	5.4
147.11697	4.3
149.09639	2.8
150.06712	2.9
151.11192	2.0
152.23924	1.1
153.09113	1.4
153.12740	2.1
154.07780	0.9
155.08554	2.9
157.10135	4.8
159.08051	1.8
159.11679	3.5
161.09627	2.7
161.13303	0.9
163.11171	16.1
165.06921	1.1
165.09108	9.4
167.07178	1.0
167.08548	1.8
169.10129	1.3
169.12230	1.0
171.10211	1.2
171.11688	2.4
173.09601	2.1
173.13168	0.9
175.11140	4.7
175.14803	1.0
177.12640	1.6
181.09979	1.4
181.12207	1.7
183.11624	1.3
184.07306	2.2
185.13190	1.3
189.11241	3.4
189.12798	1.1
191.10667	2.5
193.08597	48.9
193.12166	1.9
195.13872	1.2
197.13232	1.2
199.14781	1.3
205.12231	1.9
209.11679	5.2
209.13416	1.0
223.13263	16.8
227.12761	9.0
245.18964	1.8
249.14769	2.0
255.17415	1.4
263.16309	1.1
267.15811	2.7
273.18512	13.1
275.19861	2.0
280.45789	1.0
281.17606	1.1
283.15384	71.5
284.15900	1.4
291.19528	100.0
292.19977	1.7
347.22247	2.3
365.23227	45.9
449.06851	1.0
453.24875	1.4
454.63339	0.9
493.27905	2.7
541.34900	3.2
542.89288	1.3
555.33813	1.5
573.34186	94.3
574.34290	2.3
591.34857	1.1
607.43939	1.8
608.43921	7.0
770.48822	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	760.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97886	0.2
66.83330	0.2
67.05475	0.6
79.26881	0.2
81.07000	1.0
83.94093	0.2
91.05488	0.5
91.16769	0.3
93.07035	0.4
93.50517	0.3
95.04937	0.9
95.08569	1.1
97.06496	0.6
97.10123	0.3
98.21570	0.5
105.07024	1.5
107.08542	0.6
109.06456	0.3
109.10107	0.8
110.39275	0.2
119.08559	0.7
119.25982	0.3
121.10091	0.7
131.08508	0.2
133.10052	0.6
137.05936	0.5
145.10080	0.8
156.84683	0.3
159.11674	0.7
161.13258	4.5
163.14795	0.4
165.06987	0.4
167.07050	0.6
176.06308	0.4
190.07648	0.3
191.08501	0.9
191.17969	0.5
192.09410	0.3
201.16382	2.1
205.06512	0.8
207.07930	0.4
208.08850	0.3
218.07237	0.4
219.08046	1.1
219.17407	7.5
220.08775	0.6
221.05956	0.5
221.09456	0.3
223.07458	1.2
233.05994	1.0
234.06728	0.4
235.07524	5.4
236.08267	1.2
237.18484	9.6
247.07506	1.9
248.08347	1.3
249.05417	0.6
249.09085	1.0
250.06204	0.4
251.07071	2.5
251.10583	1.1
255.19504	1.3
261.05377	0.8
262.06271	1.6
263.07025	13.7
264.07678	1.3
265.05060	1.5
265.08575	2.2
265.12259	0.8
266.09286	0.8
276.07928	0.4
277.08557	2.2
278.09360	100.0
279.06552	33.7
279.09848	4.5
280.07248	2.6
281.08044	0.4
282.14899	0.3
293.08020	0.8
294.08847	60.6
295.09164	1.7
306.24615	0.3
309.11191	99.7
310.11545	2.5
326.13849	62.4
327.14081	1.5
417.25070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05509	4.9
57.03422	2.5
57.25494	0.6
60.47551	0.6
65.03931	0.7
67.05173	0.9
67.05505	11.2
69.03418	2.0
69.07073	5.2
70.06570	0.6
71.04995	1.3
71.62929	1.0
73.02887	0.8
74.74152	0.6
76.99759	0.6
79.05491	13.5
81.03406	2.7
81.07056	8.8
83.04985	3.1
83.08610	3.1
85.02883	2.3
85.06532	1.4
91.05479	13.2
93.07049	9.5
95.04960	4.9
95.08604	5.2
97.02874	1.9
97.06525	2.2
97.10169	1.8
99.04429	0.8
103.05494	3.6
105.07027	24.5
107.04958	4.0
107.08587	4.6
109.02911	0.8
109.06512	2.2
109.10149	2.3
111.08021	1.3
115.05476	1.3
117.07052	3.3
118.04136	2.2
119.04948	0.9
119.08578	4.7
121.06490	1.8
121.10111	3.1
122.03632	0.7
123.08062	1.9
125.05978	0.6
125.09604	1.2
129.07002	2.7
131.08559	3.8
133.06490	13.3
133.10121	3.0
134.07266	1.0
135.04381	1.1
135.08051	2.9
135.11694	1.8
137.05965	5.3
141.06985	0.9
142.07782	1.1
143.08571	2.3
144.05696	0.7
145.06493	1.0
145.10109	3.9
147.08043	1.7
147.11702	4.3
148.05174	0.8
149.05940	0.7
149.09628	1.2
150.06769	6.0
155.08514	1.0
157.10141	2.5
159.11665	1.9
161.13295	1.0
163.11174	2.2
165.09113	12.5
166.07764	0.5
167.07011	2.3
167.08505	0.9
169.10057	1.3
171.11690	3.0
175.07503	1.0
175.11169	4.4
178.06268	1.4
181.10086	1.3
181.12247	1.0
183.11714	1.4
189.12753	1.4
193.08606	100.0
194.09000	1.4
195.10075	1.1
199.11290	0.9
204.07809	1.0
207.11906	0.6
207.13760	2.8
223.13269	1.8
227.10690	1.5
227.12778	1.4
229.12231	1.2
253.14334	1.4
257.18890	0.8
263.09143	1.5
267.16064	1.2
267.30066	0.7
269.17526	1.1
273.18454	1.7
275.20044	2.7
281.17426	5.3
283.15381	11.2
291.19525	9.0
349.23776	2.2
365.23227	4.7
375.19391	0.8
393.20618	1.0
421.20181	1.0
439.21179	0.7
461.29059	2.2
475.30630	5.5
541.34949	2.3
555.37061	3.2
573.34137	10.8
607.43817	1.2
608.43878	2.6
770.49194	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	769.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
56.64331	0.1
59.04974	0.3
62.47113	0.2
67.05479	0.2
69.03384	0.3
69.07057	0.9
70.06563	0.4
71.04990	1.8
71.62327	0.1
71.62730	0.2
72.08090	0.2
73.02882	0.2
84.08099	0.2
85.02877	0.4
87.04461	1.4
94.06537	0.4
96.04453	0.2
97.02844	0.5
97.06471	0.5
108.04483	1.5
108.08065	0.2
112.07583	0.2
115.03880	0.5
120.08067	0.7
121.06416	0.1
122.05980	0.6
123.04389	0.2
124.07593	0.1
133.04918	0.6
134.05956	0.2
136.07530	0.4
137.05925	0.2
140.07028	1.7
141.05444	1.0
146.05988	0.3
147.06725	0.3
148.07568	3.5
150.05522	0.5
160.07542	0.3
163.03807	0.2
163.11005	0.1
164.06987	0.3
168.06552	2.6
168.07913	0.2
170.09625	0.3
172.07620	0.2
174.05466	0.6
175.08632	0.3
187.06007	4.1
187.08659	0.5
196.11279	0.2
197.10654	0.2
198.09222	0.9
198.11230	0.2
199.08630	2.6
199.12341	0.6
200.09230	0.2
200.10846	0.2
201.10150	0.4
202.08688	0.2
203.09331	0.3
210.09093	0.7
211.08597	0.2
211.12248	0.2
212.09381	0.7
212.11049	0.2
213.10144	1.1
214.11017	0.8
215.11781	2.1
222.49660	0.2
223.12436	0.2
224.10681	0.6
225.10199	3.0
226.08760	1.6
226.10771	0.4
226.12460	0.3
227.08235	0.9
227.11739	3.3
228.12494	0.3
229.09648	0.7
229.13347	0.5
237.10271	0.3
238.08511	0.3
240.08847	0.2
241.09645	0.9
241.13307	1.2
242.10390	1.0
243.11317	2.4
244.12044	0.2
251.11752	0.5
252.10159	1.2
253.09996	0.2
253.13496	0.3
254.10075	0.3
255.11263	17.5
256.11780	0.7
259.14499	0.2
269.12823	5.7
269.15582	0.4
270.11130	0.2
271.14352	0.5
273.12204	0.2
277.83572	0.2
279.11328	0.3
280.09644	0.3
282.09824	0.3
285.12283	0.3
287.13968	1.2
289.15366	0.3
297.12320	8.5
298.13235	0.3
299.13916	0.5
305.15042	0.2
315.13358	44.2
316.13748	1.4
317.14890	1.2
357.14413	1.9
373.17453	0.5
385.17630	0.6
401.17041	12.7
402.17496	0.4
419.18213	0.5
429.16644	0.8
447.17599	100.0
448.17880	3.4
449.19177	0.3
733.30664	0.5
751.31702	0.6
769.30725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
54.18817	2.5
55.01873	7.2
55.05292	3.8
55.05511	40.2
57.03440	22.7
57.07056	3.7
60.88406	2.8
61.02913	3.8
65.03938	6.7
67.05157	5.4
67.05499	74.3
67.62409	2.8
68.05872	2.8
69.03423	6.4
69.07069	20.7
71.04964	7.7
71.64593	3.5
71.65015	4.2
77.03923	3.5
79.05490	82.1
81.03416	61.9
81.07058	74.0
83.04971	22.3
83.08623	33.6
85.02901	29.7
85.06536	7.9
86.09719	23.3
91.05474	100.0
93.07040	75.4
95.04967	34.2
95.08604	41.0
97.02888	7.1
97.06525	7.9
97.10176	3.8
99.08083	4.9
103.05479	3.2
105.07030	96.1
107.04959	12.4
107.08592	44.0
109.06499	8.4
109.10149	16.6
111.08080	13.4
115.05476	3.8
117.07027	23.4
119.07781	5.8
119.08575	83.6
121.06464	4.1
121.10152	31.7
123.08070	5.9
123.11657	4.9
125.00012	10.7
125.09652	4.8
128.06262	6.2
129.07001	25.8
131.08559	43.2
133.10132	58.7
135.08018	4.4
135.11719	18.6
137.09579	4.4
142.07780	5.7
143.08551	11.4
145.10138	28.3
147.08058	2.9
147.11681	47.1
149.09598	10.7
149.13245	10.7
151.11189	5.5
155.08568	4.0
157.10120	32.9
159.11713	17.8
161.13286	29.3
163.11197	8.5
165.12640	4.3
167.08549	3.6
169.10184	5.9
171.11662	16.3
173.13257	10.0
175.11177	19.1
175.14806	10.3
183.11641	5.1
184.07347	57.9
185.13232	13.5
187.14839	6.2
193.12245	56.6
197.13292	4.0
199.14757	9.5
209.13319	4.1
211.13272	69.7
229.14346	4.2
231.21040	4.2
241.19524	29.2
257.19055	4.0
259.20602	64.9
261.22076	2.9
267.15854	27.1
269.17480	4.8
275.20148	6.1
283.15594	6.4
285.16965	72.1
297.21851	3.8
299.23315	3.4
315.23218	10.4
331.22626	3.5
333.24207	59.9
335.25717	8.5
433.31110	6.7
451.32004	8.9
469.33167	4.8
515.37598	3.7
525.35767	29.0
543.36792	82.4
627.81042	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	759.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03434	1.5
59.05010	0.2
61.02920	1.5
68.99780	0.4
69.03428	3.2
70.06602	0.3
71.01344	0.4
71.04981	0.5
71.63356	0.3
73.02918	5.1
76.30328	0.2
77.93937	0.2
78.38750	0.2
81.03407	0.9
85.02905	7.8
87.04472	0.4
91.03919	0.3
93.03394	0.2
97.02890	4.3
99.04463	0.4
103.03970	0.3
108.93478	0.2
109.02870	1.3
111.00790	0.7
115.03952	1.5
121.02851	1.0
127.03915	2.0
131.04939	0.3
133.04955	1.3
136.06177	1.5
137.02339	2.5
145.04958	2.9
147.04422	0.3
149.02313	0.5
153.01808	2.7
163.03902	0.6
163.05995	0.7
165.01855	1.8
166.02559	0.3
169.41243	0.2
183.02866	0.6
201.05495	0.9
201.07182	0.2
204.48094	0.2
229.04987	2.9
247.06020	0.8
257.04468	2.6
267.46506	0.2
274.04626	0.8
275.05490	0.2
285.04044	1.1
303.04987	100.0
304.05356	3.1
315.05005	0.8
327.04846	0.4
345.05969	1.3
348.32950	0.2
369.06104	0.3
377.06473	0.3
399.07144	0.5
405.06049	0.7
417.08008	0.5
435.09171	1.4
447.08658	0.3
465.10303	22.4
466.10641	0.8
493.58618	0.2
643.15015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2177
Annotation	Isorhamnetin 3-xylosylrhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03937	0.2
53.96195	0.1
55.01869	0.5
57.03436	1.6
61.02909	0.6
62.11613	0.1
63.32890	0.1
65.03934	0.2
67.52039	0.1
69.03424	2.2
69.32430	1.8
70.06595	0.2
71.01365	0.3
71.04986	5.2
73.02912	3.5
75.04470	0.5
79.05477	0.2
81.03406	0.6
83.04964	1.0
85.02901	11.2
87.04465	0.3
91.03934	0.2
91.81802	0.1
93.03384	0.2
95.04950	0.3
97.02887	3.0
97.06513	0.1
98.21475	0.3
99.04433	0.4
101.06046	0.2
103.03935	0.3
106.04994	0.1
107.24526	0.2
109.02881	0.3
111.04443	0.9
114.03043	0.2
115.03915	1.9
121.02851	0.6
123.04441	0.6
125.02364	0.5
127.03871	0.8
129.05475	2.8
133.04971	1.1
135.04391	0.3
137.02319	1.7
139.03868	0.5
141.05394	0.2
145.04922	0.9
147.06500	1.4
149.02313	0.2
151.03893	0.7
163.03864	0.3
167.03386	1.9
167.07030	0.1
169.05003	0.2
179.03380	1.0
180.04134	0.2
184.05132	0.3
187.07558	0.2
197.04437	0.4
199.06053	0.2
200.04659	0.2
205.08545	0.2
213.05580	0.2
215.06944	0.8
225.07549	0.5
228.04094	0.3
233.07991	0.3
241.07281	0.2
243.06522	2.8
243.08713	0.5
256.03629	0.2
261.07645	0.4
271.06027	1.3
274.04700	1.5
279.10599	0.2
282.80121	0.1
288.06207	0.4
299.05469	0.7
302.04163	1.4
317.06534	100.0
318.06891	2.7
329.06512	0.3
359.07581	0.9
383.07651	0.2
449.73798	0.1
463.12256	0.4
479.11902	1.1
508.82672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
54.18817	2.5
55.01873	7.2
55.05292	3.8
55.05511	40.2
57.03440	22.7
57.07056	3.7
60.88406	2.8
61.02913	3.8
65.03938	6.7
67.05157	5.4
67.05499	74.3
67.62409	2.8
68.05872	2.8
69.03423	6.4
69.07069	20.7
71.04964	7.7
71.64593	3.5
71.65015	4.2
77.03923	3.5
79.05490	82.1
81.03416	61.9
81.07058	74.0
83.04971	22.3
83.08623	33.6
85.02901	29.7
85.06536	7.9
86.09719	23.3
91.05474	100.0
93.07040	75.4
95.04967	34.2
95.08604	41.0
97.02888	7.1
97.06525	7.9
97.10176	3.8
99.08083	4.9
103.05479	3.2
105.07030	96.1
107.04959	12.4
107.08592	44.0
109.06499	8.4
109.10149	16.6
111.08080	13.4
115.05476	3.8
117.07027	23.4
119.07781	5.8
119.08575	83.6
121.06464	4.1
121.10152	31.7
123.08070	5.9
123.11657	4.9
125.00012	10.7
125.09652	4.8
128.06262	6.2
129.07001	25.8
131.08559	43.2
133.10132	58.7
135.08018	4.4
135.11719	18.6
137.09579	4.4
142.07780	5.7
143.08551	11.4
145.10138	28.3
147.08058	2.9
147.11681	47.1
149.09598	10.7
149.13245	10.7
151.11189	5.5
155.08568	4.0
157.10120	32.9
159.11713	17.8
161.13286	29.3
163.11197	8.5
165.12640	4.3
167.08549	3.6
169.10184	5.9
171.11662	16.3
173.13257	10.0
175.11177	19.1
175.14806	10.3
183.11641	5.1
184.07347	57.9
185.13232	13.5
187.14839	6.2
193.12245	56.6
197.13292	4.0
199.14757	9.5
209.13319	4.1
211.13272	69.7
229.14346	4.2
231.21040	4.2
241.19524	29.2
257.19055	4.0
259.20602	64.9
261.22076	2.9
267.15854	27.1
269.17480	4.8
275.20148	6.1
283.15594	6.4
285.16965	72.1
297.21851	3.8
299.23315	3.4
315.23218	10.4
331.22626	3.5
333.24207	59.9
335.25717	8.5
433.31110	6.7
451.32004	8.9
469.33167	4.8
515.37598	3.7
525.35767	29.0
543.36792	82.4
627.81042	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	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.01868	16.2
55.05514	43.8
57.03433	21.9
57.07082	5.8
59.04990	6.5
61.02926	5.7
65.03939	4.6
67.05511	70.5
69.03425	8.5
69.07072	28.4
69.94670	11.7
69.95084	7.1
71.05006	7.0
78.59261	3.0
79.05495	85.9
81.03416	25.7
81.07057	83.2
83.01331	11.4
83.04984	21.1
83.08616	27.5
85.02905	9.9
85.06538	5.2
86.09737	7.1
91.05481	88.3
93.07043	90.1
95.04984	21.4
95.08602	41.6
97.02931	5.4
97.06538	12.8
97.10176	8.8
98.20862	3.8
99.04407	4.2
99.08074	5.0
105.07036	100.0
107.04958	14.4
107.08601	48.4
109.06521	12.5
109.10141	25.1
111.04430	8.0
117.07011	33.1
119.08586	74.7
119.09364	6.0
121.06501	9.0
121.10138	36.0
123.08054	13.0
123.11734	5.2
125.00021	7.4
125.09627	8.9
129.05412	3.1
129.07005	18.6
130.07794	4.2
131.08582	35.5
133.10144	68.7
133.11093	6.5
135.08087	8.9
135.11691	33.5
135.72948	3.2
137.09613	5.1
142.07759	5.6
143.08563	19.5
145.10115	49.1
147.11673	45.7
149.09607	5.0
149.13258	8.6
153.12753	5.4
155.08572	7.8
157.10152	15.5
159.11676	24.1
161.13281	31.7
163.11197	32.9
171.11728	18.7
173.09555	5.0
173.11896	3.6
173.13275	11.3
175.11102	4.2
175.14838	13.3
179.14345	4.5
182.85580	3.8
183.11711	5.8
184.07338	23.7
184.30150	3.5
185.13289	11.6
187.14755	3.5
189.11205	8.9
189.12735	4.2
193.10333	3.8
193.12270	7.0
199.14876	9.0
209.11755	11.4
213.16396	5.0
214.40791	3.2
227.12743	20.9
231.21054	9.7
241.19510	34.8
254.97855	4.0
259.20578	94.9
267.15906	4.1
275.20184	15.6
283.15405	83.9
297.22171	8.8
315.23267	14.9
331.22638	3.6
333.24301	57.0
336.56717	3.4
349.23947	5.2
431.29138	5.4
449.30499	9.4
467.31842	8.5
485.32755	6.8
523.34338	10.7
541.35236	93.4
542.35626	5.5
559.36310	37.1
560.35950	3.6
627.77673	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	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01866	21.2
55.05507	31.9
55.05753	4.0
57.03436	17.1
57.07060	2.2
62.27706	1.8
65.03892	4.6
67.05499	57.7
69.03416	5.3
69.07064	38.4
71.01328	2.8
71.04992	9.5
71.64925	2.8
73.02903	2.1
76.95238	2.2
79.05486	61.2
81.03413	57.4
81.03896	2.1
81.07052	78.8
82.47787	2.1
83.04984	19.6
83.08615	26.8
83.80089	1.8
85.02906	30.3
85.06541	5.0
86.09698	5.9
91.05473	87.8
93.07036	56.4
95.01326	8.2
95.04967	36.4
95.08599	43.9
95.09154	4.3
97.02903	4.6
97.06524	31.9
97.10162	7.1
99.04456	2.1
99.08091	4.1
103.05444	2.3
105.04524	1.9
105.07023	93.0
106.07322	2.6
107.04943	25.2
107.08577	25.0
109.06515	11.1
109.10143	13.6
111.04401	2.8
111.08072	8.6
113.06031	2.9
115.05434	4.3
117.07013	21.1
119.08575	55.0
119.09444	2.9
121.06509	7.3
121.10129	22.3
123.04405	3.3
123.08067	7.9
124.99957	3.4
125.09636	4.7
127.03815	2.6
129.05417	2.1
129.06978	13.8
131.08563	31.6
133.06480	4.0
133.10120	54.3
134.30586	1.9
135.08107	6.2
135.11702	8.8
137.09673	5.0
142.07782	4.2
143.08537	5.4
145.06491	2.9
145.10109	19.4
147.08051	3.6
147.11676	37.4
149.09627	11.9
149.13275	5.6
151.11206	3.1
155.08499	4.1
157.10106	19.7
159.08101	3.4
159.11700	11.5
161.13274	9.2
163.11186	10.7
165.09052	3.8
165.12759	2.4
169.10156	4.5
171.11688	3.9
173.13275	4.5
175.11182	10.1
177.12726	6.3
179.14316	13.1
183.11711	2.5
184.07297	9.8
193.12227	28.1
197.13261	2.4
211.13278	30.6
211.14993	3.1
213.09023	2.2
227.12801	3.2
241.19507	2.7
247.20859	2.4
257.19034	7.2
259.20575	6.1
267.15866	39.8
275.20041	75.6
279.15936	2.6
285.16949	68.9
285.20105	3.5
286.17087	2.7
293.21121	5.4
301.16248	3.6
333.24136	2.9
349.23694	41.6
447.27621	3.3
461.28946	8.1
541.35162	65.5
542.35297	2.8
559.36298	100.0
560.36542	5.6
577.37512	2.9
759.99854	2.3
779.43390	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	757.2175
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03938	0.4
54.63332	0.3
55.01878	0.3
55.05495	0.8
57.03437	2.5
58.74346	0.2
61.02905	0.7
68.99792	0.4
69.03429	1.7
69.30401	2.6
69.30721	0.4
71.01339	0.3
71.04990	13.2
71.27764	0.2
73.02903	0.9
75.04458	0.7
81.03417	0.7
83.04977	3.9
85.02901	17.5
87.04452	0.4
91.03946	0.2
93.03426	0.2
95.04955	0.8
97.02874	1.3
99.04466	0.5
103.03984	0.2
109.02842	0.5
111.00788	0.7
111.04432	2.8
113.06003	0.6
117.05510	0.5
120.57282	0.2
121.02835	0.8
123.04438	0.3
123.36270	0.2
127.03893	0.8
129.05472	5.0
133.06476	0.3
137.02342	2.6
141.55794	0.2
145.04970	0.4
147.06561	1.5
153.01834	2.5
153.05473	0.8
163.03902	0.8
163.06009	0.6
165.01810	1.0
166.02689	0.2
171.06519	0.5
173.06023	0.4
183.02890	0.7
195.02803	0.3
201.05484	0.8
201.07300	0.2
213.07605	0.3
219.06586	0.2
229.04941	3.3
239.09143	0.8
247.05914	0.5
257.04413	1.9
257.10123	0.4
274.04703	0.4
275.05380	0.3
275.11230	0.3
285.03952	1.0
303.04980	100.0
304.05334	2.7
315.05029	0.7
327.04892	0.3
345.06067	1.6
369.05930	0.7
413.08282	0.5
449.10806	1.5
465.10263	1.6
734.02740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.4
53.04078	0.6
55.01781	3.4
55.02065	1.3
55.05418	10.7
55.05717	2.5
57.03344	6.2
57.03648	1.4
59.04924	0.7
61.02855	0.7
65.03867	0.9
67.05397	14.1
67.05797	2.2
69.03315	3.3
69.06959	4.4
70.06506	1.0
71.04887	3.6
71.66015	0.9
73.02821	0.5
79.05376	17.7
79.05884	2.2
81.03298	41.0
81.03828	4.4
81.06937	18.0
81.07471	1.9
82.03715	0.6
83.04861	5.4
83.05394	0.6
83.08497	13.3
83.09032	1.5
85.02775	2.3
85.06433	1.8
87.04391	1.1
91.05354	14.1
93.06918	14.6
93.07545	1.2
95.04838	17.9
95.05510	1.4
95.08478	8.1
96.07999	4.4
97.02776	2.4
97.06402	3.4
97.10039	13.2
103.05376	0.9
105.04427	0.6
105.06893	12.4
105.07644	1.1
105.52552	0.5
107.04819	13.5
107.05600	0.8
107.08452	9.3
109.02741	0.9
109.06509	8.9
109.10133	6.1
111.04340	1.5
111.07931	4.7
111.08764	1.0
115.05375	1.2
117.07002	4.5
119.04825	1.5
119.08566	10.4
121.06498	9.1
121.09998	6.7
121.10921	1.3
121.50266	0.6
123.04321	1.6
123.07908	3.7
123.11623	1.2
125.05896	0.7
125.09619	11.8
127.03846	0.7
128.06168	0.5
129.06996	8.1
131.04796	2.0
131.08556	10.4
133.06471	3.5
133.10138	4.7
135.08032	4.9
135.11536	2.3
137.05885	1.3
137.09457	2.1
139.11075	1.0
141.06885	1.4
142.07637	1.5
143.08437	1.8
145.06485	5.9
145.10100	3.8
147.04271	1.9
147.08015	5.0
147.11682	5.1
149.05939	0.6
149.09586	4.9
151.11087	0.6
153.08934	2.5
153.12625	0.8
155.08423	1.5
157.06316	1.5
157.10095	7.1
159.07883	1.8
159.11552	1.7
161.05859	1.9
161.09583	1.3
163.03735	1.5
163.11195	3.6
165.08989	2.0
165.12624	0.9
167.07018	0.7
167.10612	0.9
169.09998	1.7
171.07861	1.7
171.10202	0.6
171.11559	2.0
173.09456	1.9
173.11673	0.8
173.13103	2.3
175.07469	0.8
175.11176	5.2
177.12648	1.1
181.09950	0.8
183.07893	0.7
183.11563	1.5
184.07297	0.7
185.09471	0.9
185.13113	1.5
187.11111	1.3
187.14752	0.7
189.11058	5.8
189.12706	1.7
191.10551	0.9
191.14183	1.4
193.12224	13.5
195.07971	1.1
195.11594	1.1
197.09511	1.1
197.13174	1.3
199.10977	1.8
199.12946	0.6
201.08986	0.8
205.12071	1.9
209.09584	0.7
211.11134	0.7
211.13214	1.9
213.12596	1.4
215.14174	2.4
217.12183	1.0
219.13637	2.2
223.13205	1.8
225.12570	1.3
227.12602	3.3
229.14272	0.6
231.13646	1.2
233.15329	2.7
237.12509	1.0
239.14275	1.2
241.12175	0.9
241.14336	0.7
249.14781	1.0
255.13686	1.8
259.13199	1.3
267.15903	35.2
269.15192	0.6
273.14752	6.2
275.91473	0.6
287.16360	0.7
293.17294	1.7
301.14352	0.7
309.16772	0.6
311.16425	0.7
312.36343	0.6
339.23050	1.9
349.21609	4.9
357.24069	1.8
367.22620	15.0
385.23712	20.9
403.24799	7.9
405.24207	0.7
423.25305	0.7
441.26361	10.7
459.27380	100.0
460.27618	2.4
477.28461	84.5
478.28680	2.0
491.29947	13.0
501.28751	2.6
509.31021	5.2
513.28351	0.6
541.33740	1.8
543.28864	0.7
567.29218	1.8
576.36163	0.8
631.57019	0.6
756.40826	1.5
774.07886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2385
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.01864	0.3
55.05507	0.4
57.03432	1.8
61.02923	0.3
67.05501	0.3
69.03427	1.4
69.07053	0.2
70.06586	0.5
70.82543	0.2
71.04992	9.1
71.20341	0.5
73.02911	0.9
75.04472	0.6
81.03384	0.5
81.07055	0.3
83.04983	3.2
84.08121	0.3
85.02903	13.8
87.04469	0.5
93.06999	0.4
95.04945	0.8
97.02884	0.7
97.06506	0.3
99.04462	0.7
105.07071	0.2
107.04950	0.7
109.02883	0.5
111.04430	2.1
111.46096	0.2
113.05975	0.4
117.05511	0.5
121.02848	1.3
121.06519	0.3
123.04446	0.2
123.08072	0.2
125.02284	0.2
127.03899	0.8
129.05473	3.7
129.10188	0.2
133.02827	0.2
136.06216	0.2
147.04387	0.3
147.06488	1.2
151.03929	0.6
153.05452	0.5
157.04948	0.2
163.03914	0.7
163.06021	0.5
167.03423	1.5
171.06490	0.3
179.03444	0.9
193.10635	0.2
197.04466	0.5
199.07643	0.3
212.04686	0.3
217.63286	0.2
221.09657	0.3
227.07082	0.8
229.29745	0.2
239.09120	0.8
245.08032	0.4
249.09099	0.4
255.06535	0.4
257.04297	0.2
257.10229	0.4
258.05261	2.7
272.06808	0.4
273.07687	0.2
275.11295	0.2
279.10211	1.6
280.10464	0.7
286.04733	2.7
296.12720	0.6
297.13409	0.2
301.07059	100.0
302.07382	2.8
313.06967	0.3
343.08075	0.7
367.08371	0.2
379.68503	0.2
400.64661	0.2
411.10867	0.4
447.12897	0.5
463.12314	0.8
522.51361	0.2
551.29120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2383
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
53.03929	0.2
55.01857	0.3
55.05495	0.5
57.03435	1.8
59.04981	0.3
61.02914	0.5
65.03912	0.2
67.05495	0.2
69.03432	1.1
70.06607	0.3
71.01339	0.2
71.04987	10.0
71.65669	0.2
73.02612	0.1
73.02907	1.0
75.04471	0.6
81.03408	0.3
81.07024	0.2
83.04970	2.6
84.48849	0.1
85.02899	13.3
85.06516	0.1
87.04449	0.5
91.03923	0.2
95.04977	0.7
97.02880	0.8
97.06541	0.2
99.04472	0.6
101.06038	0.1
107.04953	0.6
109.02840	0.4
111.04428	2.3
113.05969	0.3
117.05472	0.4
117.15343	0.1
118.23576	0.1
121.02854	1.4
121.06498	0.2
123.04408	0.3
124.01544	0.3
125.02319	0.2
127.03873	0.6
129.05463	3.5
133.02855	0.2
135.04440	0.2
136.07529	0.1
141.05389	0.1
145.04970	0.3
147.04485	0.2
147.06500	1.4
151.03864	0.5
153.05458	0.4
157.04997	0.1
163.03915	0.2
163.05998	0.4
167.03394	1.8
167.07016	0.2
171.06494	0.3
179.03380	0.8
184.05222	0.1
185.06020	0.1
193.67673	0.1
197.04391	0.3
199.07628	0.2
201.07501	0.1
211.07401	0.1
212.04695	0.2
213.07417	0.2
214.84335	0.1
217.08516	0.1
227.06972	0.7
239.09109	0.4
245.08087	0.3
255.06470	0.5
257.04349	0.3
257.10284	0.1
258.05231	3.2
272.06796	0.6
273.07571	0.3
275.11267	0.3
278.09140	0.1
282.11853	0.2
283.06049	0.2
286.04681	3.6
293.11740	0.3
294.11880	0.2
298.14038	0.2
301.07037	100.0
302.07376	1.7
313.07001	0.6
343.08130	1.0
367.08072	0.3
393.09625	0.3
411.10693	0.6
418.81888	0.1
429.11722	0.3
434.20596	0.1
441.56818	0.1
447.12939	0.7
463.12347	1.0
612.27899	0.1
623.18304	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	755.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.4
55.01867	6.8
55.05507	45.1
57.03434	13.5
57.07066	5.8
59.32454	3.7
61.02923	7.9
65.03939	4.7
67.05503	100.0
68.18887	3.5
69.03428	22.3
69.07066	29.8
70.90907	12.2
71.04992	8.8
79.05484	98.9
79.13301	3.8
81.03418	21.1
81.07047	88.8
83.04962	9.8
83.08604	12.1
85.02913	17.6
85.06551	3.8
91.05475	94.3
93.07040	90.3
95.04975	25.8
95.08602	66.1
97.02882	10.6
97.06525	8.0
97.10170	4.1
105.07024	76.0
107.04964	7.9
107.08577	48.8
109.02891	7.8
109.06518	12.4
109.10144	22.9
111.04454	7.7
111.08092	8.0
115.05424	7.5
117.07015	36.4
119.08569	57.1
121.06473	5.0
121.10120	32.2
123.11634	4.9
127.03893	4.1
128.06224	9.5
129.06976	25.9
131.08548	60.5
133.06502	5.5
133.10097	27.5
135.08072	13.3
135.11708	14.8
141.06990	15.9
142.07758	5.6
143.08560	28.1
145.06482	11.5
145.10110	38.0
147.08073	7.9
147.11668	18.5
149.13289	12.0
151.11136	3.8
155.08533	14.4
155.83113	4.3
157.10133	26.2
159.08064	5.9
159.11710	27.6
161.09662	5.9
161.13304	12.4
163.11195	5.5
166.07814	4.8
167.08569	7.6
169.10138	19.5
171.11671	15.9
173.09619	6.8
173.13272	13.5
179.08611	8.0
179.50150	4.4
181.10138	11.1
183.11717	14.2
184.07324	9.8
185.09579	8.5
185.13271	10.3
187.11174	5.0
187.14813	6.9
189.12755	4.8
193.10158	4.9
195.07828	4.7
195.11771	6.1
197.13290	5.6
199.14752	5.0
201.12741	5.2
209.13380	7.6
211.14742	4.8
215.14316	6.9
225.12878	5.5
233.15167	5.2
241.19490	7.2
259.20615	11.6
261.08499	3.7
261.22247	7.4
271.20703	4.7
277.21707	4.4
283.20609	5.3
301.21652	9.0
313.21756	4.4
321.22006	5.1
325.21594	7.6
333.24310	6.9
335.25656	38.6
337.21735	4.4
339.23251	9.3
343.22656	9.0
349.21710	10.6
363.25638	4.6
367.22748	23.8
385.23740	13.1
403.24551	11.1
417.26349	5.4
441.26648	6.1
459.27417	10.2
477.28198	8.9
522.09015	4.0
593.45148	4.2
635.46094	7.1
677.47754	7.6
701.47388	14.0
719.48499	14.6
737.49835	11.3
755.51050	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86620	0.3
69.03365	0.3
69.66233	2.0
70.06604	0.3
72.33324	0.3
78.20479	0.3
83.83570	0.3
85.02929	0.3
113.46507	0.3
123.16114	0.3
165.06924	0.4
167.07031	0.3
178.07751	2.4
185.64648	0.3
189.06984	1.2
190.07748	0.9
191.08510	0.9
193.10089	0.4
202.07782	0.7
203.08511	0.7
205.06450	0.8
206.07251	3.7
208.08897	1.4
217.06476	0.7
218.07181	2.2
219.08055	0.9
220.08775	0.8
221.09605	23.3
222.10033	0.3
223.11162	1.6
233.09752	1.4
234.06760	4.4
235.07556	0.6
236.08298	1.8
246.06703	0.7
247.07675	0.4
248.08395	0.7
249.09105	17.7
251.06812	0.4
251.10696	1.1
261.09201	0.8
263.07074	0.4
264.07764	2.0
279.10150	100.0
280.10489	2.7
296.12805	38.0
297.13116	0.7
309.11746	0.3
382.49545	0.3
626.05060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01876	1.8
55.05511	8.2
57.03437	11.8
57.07079	30.1
60.01690	1.4
62.58825	1.3
67.05511	15.5
69.07054	6.7
69.44296	1.6
71.04976	2.9
71.08636	20.7
71.63974	1.9
79.05503	8.9
81.03421	61.9
81.07056	17.0
83.04971	4.0
83.08619	18.8
85.02877	1.4
85.10180	13.6
91.04014	1.6
91.05486	11.1
93.07053	8.5
95.04972	14.0
95.08605	17.8
97.02880	3.1
97.06513	3.2
97.10155	5.0
99.08076	1.8
103.07509	1.7
105.07037	10.3
107.04934	3.3
107.08611	2.8
109.06499	2.7
109.10153	8.1
111.08077	4.2
115.05388	1.7
119.08582	7.4
121.06454	2.0
121.10127	7.3
123.07992	1.9
123.11664	2.2
129.06996	6.5
131.08548	6.5
133.06467	2.2
133.10143	3.3
142.07831	1.8
145.10132	2.0
147.08063	1.7
147.11711	5.8
149.09610	2.9
157.10098	4.4
160.47534	1.5
171.32750	1.5
175.11156	5.0
184.07323	2.7
193.12277	22.5
211.13258	2.0
257.24634	1.9
267.15930	100.0
268.16544	1.5
313.27377	90.4
314.27783	3.5
424.48099	1.6
505.38873	76.2
506.39334	4.1
508.11066	1.7
547.39960	2.9
760.95032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
55.01864	4.0
55.05514	28.5
57.03424	9.5
57.07079	3.9
65.03923	3.3
67.05505	71.7
69.07071	20.2
70.06574	3.1
70.07761	10.8
70.94256	2.7
71.04985	3.6
79.05497	90.9
81.03397	11.2
81.07060	64.5
82.13627	3.1
83.04961	12.8
83.08617	14.1
85.06532	7.7
91.05481	90.8
93.04754	2.5
93.06481	5.0
93.07052	100.0
95.04967	17.3
95.08611	37.2
96.46858	2.6
97.06541	6.7
97.10152	3.7
98.20823	4.0
103.05527	3.2
105.07035	88.7
107.04951	5.6
107.08602	34.3
109.06519	9.8
109.10162	14.2
117.07021	25.1
119.07800	5.1
119.08585	66.0
121.06496	3.5
121.10145	17.3
123.08043	5.3
128.06209	4.9
129.07002	22.2
131.08586	21.9
133.10133	39.2
135.11694	18.2
135.53929	2.9
137.09579	3.4
143.08586	15.4
145.10117	26.8
147.11693	60.4
148.42679	3.1
149.09669	3.8
149.13269	9.4
155.08519	4.8
157.10107	8.6
159.11679	14.1
161.09669	5.5
161.13251	28.9
169.10133	4.4
171.11678	30.7
173.13268	10.5
175.14807	14.0
177.12679	3.3
184.07339	5.8
185.13283	9.4
187.11176	3.3
189.12743	10.9
199.14912	5.0
205.12123	2.9
207.13806	18.3
217.15974	3.1
231.21008	5.8
241.19525	28.9
257.18896	3.5
259.20609	58.2
261.22116	4.3
279.15881	17.0
281.17468	64.7
297.17172	3.6
315.23248	6.4
333.24252	40.0
428.80145	3.0
429.31168	3.9
447.32269	7.6
465.33609	5.2
503.37189	4.5
539.29510	3.5
539.37360	70.9
557.38519	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	751.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.8
57.03429	10.7
57.07079	31.8
58.87297	2.9
61.02924	5.2
67.05500	29.7
67.40092	3.0
69.03426	3.8
69.07076	14.8
69.40199	15.9
69.40640	11.6
71.01347	2.7
71.05002	5.4
71.08638	24.9
79.05492	22.1
81.03407	5.4
81.07054	36.4
83.08608	13.3
85.02891	4.6
85.06528	3.1
85.10174	13.5
87.04520	2.8
89.06027	2.9
91.05483	34.5
93.07055	28.2
95.04974	4.6
95.08608	33.9
97.02888	4.7
97.10181	3.6
105.07027	36.6
107.08591	16.4
109.10152	14.0
117.07030	12.4
118.71172	2.9
119.08592	35.3
119.10242	2.4
121.10158	17.9
123.11710	4.4
129.06999	5.4
131.08580	17.9
133.10138	28.1
135.11703	12.4
137.13205	2.5
143.08549	7.3
145.10101	15.4
147.11696	30.0
149.13268	10.2
157.10095	9.0
159.11673	14.6
161.13272	28.4
169.10147	4.1
171.11745	12.5
173.13278	9.2
175.14804	10.4
185.13327	6.9
199.14845	5.7
231.21104	4.5
239.23833	4.3
241.19536	28.1
259.20572	70.4
275.19971	3.4
301.21515	3.8
313.21710	4.5
313.27356	100.0
314.27704	3.3
315.23154	6.6
315.65677	2.5
325.21686	4.0
333.24188	43.0
354.88992	2.8
367.22543	7.3
385.23700	4.0
403.24643	3.9
500.41354	3.1
571.47083	6.6
589.48340	30.4
601.47668	3.1
679.49194	5.6
697.49622	4.0
715.51544	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	752.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94070	0.8
75.42521	0.2
77.52010	0.1
83.04977	0.2
163.03821	0.4
165.07063	0.2
176.06204	0.2
178.07718	2.7
180.09367	0.2
189.06947	1.2
190.07813	1.0
191.08536	0.6
192.09482	0.3
193.06566	0.2
193.10094	0.2
195.08069	0.2
202.07765	0.6
203.08582	0.5
205.06451	0.8
206.05441	0.3
206.07278	3.9
207.08009	0.3
208.08795	1.5
209.09583	0.2
217.06519	0.8
218.07263	2.3
219.07954	0.7
220.08737	0.9
221.09605	22.8
222.09959	0.5
223.11166	2.2
223.13257	0.3
230.07196	0.3
233.09613	2.0
234.06746	4.9
235.07370	0.9
236.08281	1.4
246.06604	0.4
247.07527	0.5
248.08290	1.0
249.09105	18.2
250.09550	0.3
251.07152	0.3
251.10683	0.8
252.07637	0.2
259.08585	0.3
261.09052	0.5
262.09888	0.5
263.07053	0.4
264.07779	2.1
277.08652	0.3
278.09448	0.2
279.10150	100.0
280.10495	1.6
296.12802	41.0
297.13034	0.5
337.36374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48167	0.2
55.75324	0.2
58.06570	0.6
70.06576	0.6
70.23165	1.0
97.06509	0.2
121.62382	0.3
137.05920	0.8
146.33482	0.2
149.05914	0.2
163.04021	0.3
167.07057	0.6
176.95102	0.2
177.06920	0.4
179.08557	0.3
189.07016	0.4
190.07726	1.5
195.72023	0.2
202.07776	0.5
203.08537	0.9
205.06575	0.5
205.10091	0.7
206.07271	0.4
207.08057	1.2
218.07271	1.3
219.08067	0.9
220.08760	0.6
221.06056	0.3
225.06619	0.3
231.08098	1.1
232.08884	1.4
233.05962	0.4
233.09618	1.5
234.10457	0.3
235.07562	4.5
235.11140	0.5
236.08180	0.6
244.08836	0.2
245.06151	0.3
246.06757	0.4
247.07552	4.0
247.09906	0.5
248.08261	1.2
249.09035	1.1
259.07486	2.4
260.08298	1.7
261.05627	0.3
261.09076	1.6
262.09888	7.4
263.07031	22.7
263.10455	1.1
264.07486	0.6
277.08569	3.2
278.09363	36.5
279.09680	1.2
293.11703	100.0
294.12024	2.2
295.12445	0.2
305.67725	0.2
310.14355	38.3
311.14975	1.1
365.11493	0.2
468.10162	0.3
512.43018	0.3
514.77026	0.3
601.48859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01861	3.1
55.05259	2.0
55.05506	20.3
57.03427	5.9
57.07076	53.2
67.05503	49.1
69.07068	20.7
70.00218	7.6
71.04984	2.0
71.08630	53.5
79.05492	29.4
80.04996	2.2
81.03408	4.3
81.07058	57.9
82.06559	4.1
83.04974	6.3
83.08616	22.9
85.06530	4.4
85.10168	18.0
91.05480	25.4
93.07042	31.9
94.06556	2.0
95.04951	7.7
95.08605	50.6
97.06509	3.7
97.10169	11.3
98.98445	4.3
99.08085	12.4
105.07030	19.0
107.04976	2.7
107.08590	17.9
109.06552	3.2
109.10150	20.8
111.08082	3.3
113.09642	4.2
117.07014	9.0
119.04060	1.5
119.08587	10.2
121.10150	8.5
123.08071	3.0
123.11711	4.4
124.01562	2.1
124.99990	1.8
126.12782	2.7
129.07005	2.4
130.07793	1.7
131.08595	8.0
133.10120	8.6
135.11656	9.3
137.13164	2.9
143.08554	2.0
145.10094	3.9
147.11662	5.2
149.13258	7.0
151.11174	16.1
157.10146	2.4
159.11700	3.5
161.13226	5.0
163.11188	13.3
165.12782	2.3
171.11745	5.1
175.14885	2.1
177.12750	3.2
179.14366	8.4
184.07298	3.8
187.35182	1.6
195.13805	2.3
220.16989	12.2
224.10565	1.8
238.18053	7.1
239.23671	5.1
241.19527	3.2
251.16345	4.2
259.20639	3.6
269.17429	3.0
270.62704	1.7
277.21573	16.1
282.27957	9.6
313.27350	34.4
315.23126	1.8
318.14673	7.2
320.25885	7.4
336.15579	3.0
351.25333	5.6
374.17343	3.1
392.18246	10.7
448.34576	1.8
473.73465	1.8
493.38699	2.8
507.40454	97.0
508.40265	4.3
532.43420	1.8
551.42261	2.1
571.47198	15.9
589.48285	100.0
590.48370	3.4
607.49475	11.9
630.41199	32.3
631.40948	2.3
712.48553	7.6
730.50024	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	749.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.05516	19.0
56.32409	3.4
57.03436	18.1
57.06815	5.0
57.07077	56.7
67.05497	31.4
69.03420	10.0
69.07065	16.7
70.01688	10.4
70.02106	8.9
71.08627	34.7
79.05483	22.3
81.03411	84.4
81.07056	43.5
83.04974	15.0
83.08611	25.2
85.02914	9.6
85.10165	20.1
91.05486	30.7
93.07037	20.1
93.97163	3.3
95.04970	28.8
95.08613	25.4
97.02953	4.0
97.10159	10.3
98.98482	3.5
99.04491	6.5
105.07031	21.8
107.04925	7.0
107.08608	9.3
109.02899	13.5
109.06575	5.5
109.10149	12.7
110.03666	5.0
111.04424	9.3
111.08071	9.6
117.07021	5.0
119.08569	15.3
121.06480	4.2
121.10167	7.0
123.04454	3.8
123.11659	6.2
127.03915	5.6
129.07021	9.0
131.08585	15.1
133.06467	5.9
133.10106	11.4
135.07980	4.1
137.05971	7.6
145.10091	7.4
147.11584	16.3
149.09566	6.5
152.91002	3.2
153.20837	3.5
155.08492	5.1
157.10149	14.2
159.11780	4.2
163.11244	4.3
175.00717	3.9
175.11189	12.4
193.12233	50.9
211.13316	32.4
235.13184	4.5
239.23787	10.0
249.14830	5.7
257.18884	3.8
267.15866	60.6
273.14822	3.6
275.19925	4.4
285.17078	8.5
313.27362	100.0
314.27628	4.4
328.38867	3.5
330.60645	3.8
349.23459	3.7
373.23441	3.3
461.90939	4.3
493.17355	18.8
505.38931	50.3
516.95471	4.0
523.40033	38.1
539.28723	5.1
586.78278	3.7
587.46527	8.3
701.06061	3.9
749.41132	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	745.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04943	0.5
56.05033	1.0
56.96557	0.7
62.71649	0.4
69.44660	2.3
69.45088	2.2
70.06589	91.1
71.06917	0.9
74.06062	3.2
82.06572	0.6
83.06046	0.5
84.04514	3.1
84.08139	15.2
85.02898	0.9
85.94299	0.5
101.07162	1.1
101.10791	1.1
102.05507	1.2
112.07600	100.0
113.07957	1.2
129.10236	8.5
130.08633	5.9
139.08685	0.8
140.07059	71.9
141.07462	0.7
147.04453	0.9
147.11270	4.7
157.09718	19.2
159.07698	0.6
163.03923	1.5
167.08189	0.6
168.06619	0.6
185.09189	1.1
203.10304	2.2
208.08864	0.5
213.08777	0.9
213.12430	0.8
230.15094	1.4
231.09813	2.1
240.13374	3.1
248.16022	4.5
268.12933	10.1
268.15756	0.8
324.15546	0.6
325.15210	1.0
332.14334	0.5
334.14108	1.4
341.18506	1.1
351.16605	7.6
359.19388	2.2
369.17929	3.9
377.20367	1.7
423.07556	0.6
452.21793	0.7
478.25119	3.6
480.21057	5.8
498.22110	1.7
581.26239	0.7
599.26965	1.8
727.35876	2.4
745.37195	61.2
746.37280	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	743.202
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03931	0.3
55.01853	0.8
55.05498	0.5
57.03434	2.9
59.04986	0.3
60.33655	0.2
61.02930	1.0
63.63890	0.2
63.92157	0.2
65.03963	0.2
67.05517	0.2
68.99776	0.5
69.03088	0.3
69.03429	4.0
69.31852	2.3
69.32254	0.7
71.01329	0.5
71.04600	0.5
71.04989	9.1
73.02913	4.6
75.04462	0.8
77.05502	0.2
81.03407	0.7
83.04987	1.9
85.02903	18.1
87.04436	0.4
91.03949	0.4
93.03402	0.3
95.04941	0.2
97.02885	4.0
99.04448	0.6
103.03943	0.3
109.02839	0.7
111.00800	1.0
111.04421	1.4
113.05987	0.2
115.03931	2.3
117.05476	0.2
121.02881	1.0
123.04468	0.3
127.03909	1.4
129.05470	4.1
133.04955	1.0
137.02328	2.4
139.03925	0.7
139.11816	0.3
145.05022	1.0
145.06384	0.2
147.06505	2.8
149.02351	0.5
153.01807	3.1
161.06020	0.3
163.03860	0.7
163.05968	0.4
165.01801	1.9
169.04916	0.4
171.06505	0.3
173.06009	0.4
183.02901	0.8
183.04369	0.3
187.03970	0.3
195.02939	0.2
201.05469	1.3
216.36327	0.2
216.56932	0.2
225.07623	0.9
229.04944	3.6
241.07306	0.2
243.08598	0.5
247.05975	0.8
257.04507	2.3
261.09476	0.2
274.04697	0.4
277.22290	0.2
285.03912	1.3
287.05618	0.3
302.04391	0.3
303.04977	100.0
304.05316	1.6
315.04974	0.6
327.05096	0.4
345.05948	2.1
369.06088	0.5
413.08374	0.3
435.09149	0.5
447.09033	0.4
449.10577	0.8
465.10355	1.4
677.01599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2022
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
55.01858	0.6
55.05490	0.3
57.03432	2.6
60.14052	0.2
61.02913	1.0
66.56397	0.2
68.99773	0.5
69.03428	3.0
70.06578	0.5
71.01354	0.6
71.04989	10.2
71.63453	0.5
73.02914	3.8
75.04453	0.4
79.05495	0.4
81.03400	0.8
83.04987	1.8
85.02902	16.4
86.09668	0.3
87.04473	0.6
91.03997	0.3
93.03355	0.4
95.04984	0.5
97.02892	4.8
97.06516	0.3
99.04441	0.6
103.03903	0.3
107.04945	0.3
109.02879	0.8
111.00807	0.8
111.04439	1.1
115.03924	2.7
121.02864	1.1
123.04464	0.3
127.03938	1.6
129.05475	3.7
133.05031	1.3
135.04427	0.4
137.02348	2.2
137.05945	0.4
139.03864	0.4
145.04947	1.2
147.06529	2.1
149.02382	0.3
151.03920	0.3
153.01817	2.4
161.05975	0.4
161.09500	0.3
163.03856	0.9
163.06018	1.1
165.01834	1.7
166.02589	0.3
167.07059	0.4
169.05048	0.3
183.02873	0.8
201.05484	1.1
219.06427	0.3
225.07588	0.8
229.04996	3.4
241.06949	0.3
243.08669	0.6
247.06032	0.7
257.04416	1.6
267.10205	0.7
268.10495	0.4
274.04709	0.6
285.03900	1.2
287.05466	5.7
303.04977	100.0
304.05362	1.4
311.12820	0.3
345.06024	0.5
399.06973	0.2
465.10419	0.9
607.85266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01084	1.2
53.03939	5.1
55.01862	6.9
55.05506	18.0
57.03437	13.5
58.56380	1.2
60.40983	1.1
61.02911	2.3
62.67608	1.1
65.03932	2.0
67.05161	2.2
67.05499	27.9
69.03421	4.5
69.07065	9.4
70.00340	1.3
70.06590	9.4
71.05002	6.6
71.31181	2.0
71.31534	2.6
73.02902	1.6
79.05485	25.8
81.03410	54.5
81.07054	23.0
82.12489	1.3
83.04972	9.4
83.08611	16.6
85.02901	7.1
85.06532	3.6
91.05473	23.3
93.07035	20.4
95.04963	27.8
95.08605	12.9
97.02885	4.6
97.06527	9.6
97.10160	17.5
103.05477	2.2
105.07026	20.5
107.04948	21.5
107.08589	12.4
109.02892	2.0
109.06499	17.3
109.10126	9.2
111.04440	3.7
111.08073	5.7
115.05472	1.8
117.07036	7.3
119.04956	1.6
119.08570	14.4
121.06508	13.2
121.10142	12.8
123.04409	1.9
123.08095	6.8
123.11698	2.3
125.02301	1.7
125.09621	14.9
129.06993	11.0
130.04286	1.4
131.04922	1.8
131.08559	15.3
133.06482	5.2
133.10123	6.4
135.08066	8.9
135.11699	3.0
137.05984	5.1
137.09622	3.0
139.11191	3.5
141.07027	2.0
142.07794	2.7
143.08571	3.9
145.06451	7.4
145.10126	7.1
147.04453	1.5
147.08052	4.3
147.11681	9.4
149.05969	1.9
149.09645	7.8
149.13203	1.3
153.09088	3.8
153.12686	1.5
155.08476	2.8
157.06427	2.4
157.10153	8.0
159.08070	2.8
161.05984	3.3
161.09641	2.9
163.03912	2.8
163.07538	1.5
163.11208	5.0
167.07048	3.5
167.08479	1.5
167.10681	1.3
169.10172	1.6
171.08043	1.9
171.11661	3.0
173.09639	1.7
173.13187	1.6
175.11185	6.3
177.12740	1.5
181.12254	2.4
185.09572	1.7
185.11732	1.5
187.11203	2.0
187.14737	1.9
189.11261	6.0
191.10696	1.8
191.14417	3.3
193.12234	19.6
199.11133	2.5
201.12799	2.0
205.12254	1.7
209.11688	2.7
211.11221	1.3
211.13210	2.3
213.12761	1.4
215.14258	1.8
219.13751	11.6
223.13272	2.0
227.12746	3.8
227.14661	1.5
229.14268	2.4
233.15353	4.2
235.13332	2.0
238.18095	1.4
249.14828	2.9
259.13098	1.3
259.15381	8.5
267.15903	43.0
273.14755	7.2
279.10168	2.3
283.15540	2.0
286.04825	1.7
293.17419	7.1
301.16403	2.3
309.11270	1.5
318.08032	1.4
321.22049	1.4
339.23038	1.7
349.21588	4.0
357.24216	1.5
367.22592	13.9
385.23715	21.6
402.35590	1.7
403.24860	10.2
433.25635	2.0
441.26352	9.6
451.26852	5.4
459.27390	100.0
460.27734	6.8
477.28448	94.5
478.28659	4.1
491.30258	10.3
495.29770	7.4
501.28503	2.9
509.31256	2.7
580.34296	3.0
720.44440	1.7
724.40918	1.5
742.39563	5.5
742.51965	2.0
743.25183	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	740.471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05028	0.4
57.07081	0.1
58.06622	0.5
59.07383	0.3
60.08163	5.7
67.05505	0.7
69.07063	0.3
70.06597	0.2
71.07367	3.0
71.08624	0.2
71.44344	0.3
79.05495	0.3
80.97407	0.1
81.03400	0.1
81.07058	0.6
83.08591	0.1
86.09701	27.3
87.10049	0.2
91.05481	0.4
93.07040	0.4
95.08602	0.4
98.98457	2.5
98.99113	0.1
104.10737	2.1
105.07008	0.2
107.08581	0.3
109.10150	0.4
119.58604	0.1
124.99998	18.1
131.08603	0.2
143.01045	0.4
145.10100	0.1
163.11266	0.1
166.02715	0.1
184.07332	100.0
185.07686	0.8
222.08975	0.2
230.97043	0.1
275.19827	0.1
283.15436	0.2
335.25516	0.2
418.02225	0.1
496.33954	0.2
543.36566	0.2
650.43909	9.0
651.43610	0.2
722.45490	0.2
740.47089	3.3
741.47229	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	740.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.1
55.05505	0.2
56.05024	0.5
57.07073	0.3
58.06575	0.6
59.07390	0.3
60.08159	5.9
64.50655	0.1
67.05500	0.8
69.03410	0.1
69.07055	0.1
70.06621	0.1
71.07374	2.9
71.08613	0.2
79.05493	0.3
81.07050	0.3
83.08598	0.2
83.94534	0.1
85.10150	0.1
86.09702	29.3
87.10025	0.1
91.05442	0.2
93.07059	0.3
95.08614	0.2
98.98460	2.9
104.10736	2.2
109.10152	0.5
124.99998	18.8
143.01056	0.2
166.02678	0.2
180.49606	0.1
184.07332	100.0
185.07687	0.5
222.08882	0.2
285.17075	0.1
303.71649	0.1
438.75443	0.1
496.33945	0.2
500.74341	0.1
543.36292	0.2
650.43890	7.9
651.43896	0.4
722.45483	0.2
740.47046	3.2
741.46912	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	741.2229
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01845	0.2
55.05508	0.4
57.03432	1.7
60.60075	0.2
61.02924	0.3
68.99829	0.3
69.03418	1.5
69.31462	2.7
69.31844	0.6
71.04992	10.2
73.02909	0.9
75.04463	0.8
81.03423	0.3
82.13160	0.2
83.04980	2.8
85.02901	16.5
86.34227	0.2
87.04436	0.4
90.64306	0.2
92.24915	0.2
95.04970	0.5
97.02872	0.9
99.04456	0.6
109.02878	0.5
111.00799	0.3
111.04419	2.7
113.05998	0.5
117.05489	0.4
121.02860	1.3
127.03884	0.9
129.05478	5.2
132.35413	0.2
133.02791	0.4
135.04373	0.3
145.04922	0.7
147.06496	2.4
153.01820	2.0
153.05490	0.8
157.04890	0.5
163.06006	1.0
164.00992	0.2
165.01820	0.7
171.06476	0.5
213.05460	0.5
218.86880	0.3
239.09171	1.1
241.04932	0.5
257.10098	0.5
258.05286	0.7
275.11252	0.5
287.05487	100.0
288.05804	4.7
299.05508	0.5
329.06573	1.4
342.93826	0.2
353.06400	0.5
397.09268	0.8
433.11200	1.3
449.10666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2228
Annotation	Kaempferol 7-methyl ether 3-rhamnosyl-(1->3)-[apiosyl-(1->6)-glucoside]
Peak:m/z	Relative Intensity
52.77446	0.2
54.41023	0.1
55.01865	0.3
57.03438	1.7
61.02908	0.6
69.03429	2.2
69.22127	0.1
69.32899	1.1
69.33328	0.6
71.01334	0.4
71.04993	6.2
73.02917	3.3
75.04465	0.4
81.03400	0.7
83.04985	1.2
85.02904	11.5
87.04478	0.4
87.12603	0.1
95.04951	0.3
97.02889	3.3
99.04440	0.5
107.04944	0.4
108.53162	0.1
109.02856	0.2
111.04430	0.8
115.03932	1.6
120.58907	0.1
121.02888	1.3
121.03754	0.2
123.04449	0.2
123.90310	0.1
125.02376	0.3
127.03910	0.9
129.04498	0.2
129.05473	3.1
133.04941	0.8
139.03851	0.3
145.04951	0.6
147.04561	0.2
147.06517	1.4
147.23943	0.2
151.03845	0.6
157.04976	0.2
163.06065	0.2
167.03386	1.6
169.04961	0.2
170.44209	0.1
179.03413	0.6
197.04411	0.4
212.04668	0.2
225.07616	0.6
227.07031	0.6
243.08636	0.4
245.08122	0.4
255.06496	0.3
257.04404	0.2
258.05249	2.9
272.06857	0.5
273.07712	0.2
283.06015	0.2
286.04669	3.0
300.06287	0.2
301.07059	100.0
302.07391	2.1
311.12888	0.2
313.06976	0.3
314.19183	0.2
343.08133	1.0
411.42676	0.1
433.10812	0.2
463.12573	1.0
534.63153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.3
70.06570	0.6
71.53019	0.4
76.05463	0.3
78.25813	0.2
85.02879	0.4
91.51186	0.3
96.35817	0.2
128.06157	0.3
163.03879	1.0
163.11179	0.3
164.04163	0.5
172.17299	0.3
178.07809	0.9
179.08525	1.2
184.21162	0.3
189.06990	0.7
190.07724	1.0
191.08557	1.7
192.09178	0.3
202.07704	0.8
203.08485	2.5
204.09335	0.4
205.06490	0.5
205.10181	1.7
206.07321	0.7
207.08070	2.4
208.08786	0.5
211.16975	0.4
215.08519	0.4
217.06541	0.6
218.07248	3.6
219.08060	5.2
220.08771	0.3
221.05986	1.6
221.09557	2.9
222.06711	0.8
222.10367	1.0
225.09119	0.4
232.08727	0.8
233.09616	3.0
234.10387	24.6
235.07535	21.2
235.11172	0.9
236.08287	4.2
237.08977	1.1
249.09084	2.0
250.09885	39.3
251.10280	0.5
265.12225	100.0
266.12576	2.2
278.09280	1.3
279.06488	0.4
279.09708	0.5
282.14874	59.5
283.15250	1.2
293.11722	0.6
294.08853	0.9
295.09430	0.3
309.11145	1.6
310.11496	0.6
326.13815	0.6
327.14203	0.4
381.22519	0.5
412.13046	0.3
529.92194	0.3
567.65326	0.3
740.32751	0.6
762.37732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.3
70.06570	0.6
71.53019	0.4
76.05463	0.3
78.25813	0.2
85.02879	0.4
91.51186	0.3
96.35817	0.2
128.06157	0.3
163.03879	1.0
163.11179	0.3
164.04163	0.5
172.17299	0.3
178.07809	0.9
179.08525	1.2
184.21162	0.3
189.06990	0.7
190.07724	1.0
191.08557	1.7
192.09178	0.3
202.07704	0.8
203.08485	2.5
204.09335	0.4
205.06490	0.5
205.10181	1.7
206.07321	0.7
207.08070	2.4
208.08786	0.5
211.16975	0.4
215.08519	0.4
217.06541	0.6
218.07248	3.6
219.08060	5.2
220.08771	0.3
221.05986	1.6
221.09557	2.9
222.06711	0.8
222.10367	1.0
225.09119	0.4
232.08727	0.8
233.09616	3.0
234.10387	24.6
235.07535	21.2
235.11172	0.9
236.08287	4.2
237.08977	1.1
249.09084	2.0
250.09885	39.3
251.10280	0.5
265.12225	100.0
266.12576	2.2
278.09280	1.3
279.06488	0.4
279.09708	0.5
282.14874	59.5
283.15250	1.2
293.11722	0.6
294.08853	0.9
295.09430	0.3
309.11145	1.6
310.11496	0.6
326.13815	0.6
327.14203	0.4
381.22519	0.5
412.13046	0.3
529.92194	0.3
567.65326	0.3
740.32751	0.6
762.37732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01867	19.6
55.05505	27.7
57.03431	24.2
59.04980	4.3
61.02915	3.2
62.99031	1.3
65.03919	3.4
65.46890	1.5
67.05498	50.2
69.03445	7.4
69.07056	11.0
69.68153	8.4
69.68565	3.3
70.06578	1.8
71.01353	1.7
71.04980	5.9
73.02912	3.1
79.05487	39.2
81.03413	100.0
81.07053	31.8
82.03745	1.8
82.04196	3.2
83.04973	22.7
83.08611	26.2
83.12266	1.4
85.02893	9.1
85.06564	3.6
86.90525	1.4
87.04467	2.0
91.05471	34.6
93.07042	27.1
95.04961	38.7
95.08597	12.3
97.02875	7.8
97.06528	11.3
97.10173	15.7
98.07291	2.7
99.04453	1.4
99.08084	3.2
103.05480	2.4
105.07014	25.6
107.04956	17.7
107.08586	16.8
109.02877	1.9
109.06532	6.7
109.10156	17.5
110.07299	1.3
111.04454	10.0
111.08064	13.3
113.72789	1.6
115.05449	2.3
115.22715	1.5
116.04700	9.5
117.05532	1.9
117.06999	9.6
119.08565	19.9
121.02850	3.2
121.06486	8.3
121.10129	11.1
123.04406	2.7
123.08069	6.0
125.05981	2.6
125.09608	14.4
128.06284	2.1
129.05486	27.0
129.06981	12.5
131.08551	12.3
133.06467	4.1
133.10088	9.9
135.04407	3.2
135.08067	5.5
135.11700	11.4
137.05988	2.9
137.09621	3.5
139.07449	1.5
141.07007	2.0
142.07741	1.8
143.07010	7.2
145.06456	2.3
145.10100	8.6
147.04408	4.4
147.08038	6.4
147.11676	11.6
149.09618	6.3
153.09152	2.6
153.12718	18.5
154.10760	1.8
157.06465	2.3
157.08594	12.4
157.10124	13.0
159.08012	2.0
159.11670	2.5
161.05945	2.4
163.03934	2.3
163.07555	1.6
163.11191	14.6
165.12773	1.9
171.10158	4.8
173.09613	4.0
173.11804	6.8
173.13148	2.7
175.11145	11.6
181.12238	13.6
183.11649	2.6
189.11179	12.0
191.10680	6.5
193.12228	31.1
199.13333	3.9
200.14008	1.8
201.12747	2.5
203.14331	1.4
209.11746	7.2
211.11453	1.6
211.13222	8.0
217.14314	1.5
219.13843	4.3
223.13071	1.9
227.12772	29.8
229.12218	2.2
229.14343	12.6
231.13823	2.5
247.13263	25.6
249.14967	4.7
259.13220	2.4
267.15903	66.7
276.24847	1.4
283.15356	13.0
285.16983	3.0
301.16461	33.7
321.17001	9.1
339.17947	2.3
339.30716	1.5
349.20001	1.9
383.22263	4.3
401.23145	2.0
421.26013	1.9
439.27145	3.0
457.25891	3.0
459.27249	2.3
475.26834	16.8
493.27893	32.1
525.30286	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	738.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
57.03432	0.1
57.07068	0.3
58.06629	0.4
59.07389	0.1
60.08160	5.8
61.51659	0.1
63.92775	0.1
65.04733	0.1
67.05494	0.3
69.07057	0.1
69.30086	1.1
69.30490	0.2
70.94572	0.1
71.07370	2.7
71.08628	0.2
71.69576	0.1
76.63088	0.1
80.97452	0.1
81.03408	0.5
81.07055	0.2
83.08634	0.2
83.61578	0.1
85.10166	0.2
86.09698	28.7
87.10036	0.2
91.05470	0.2
95.04945	0.1
97.06515	0.2
98.98454	2.7
104.10732	2.0
105.07060	0.1
116.99465	0.1
124.99995	19.7
126.00348	0.1
129.06958	0.1
143.00996	0.3
166.02647	0.1
175.11230	0.1
184.07324	100.0
185.07651	0.6
193.12251	0.2
267.15823	0.6
313.27277	0.5
486.84250	0.1
496.34039	0.2
505.38950	0.6
688.45374	6.4
689.44946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92778	0.8
70.06577	0.5
70.26294	0.2
71.04947	0.2
72.17206	0.2
85.02895	0.4
86.09685	0.2
97.11431	0.2
105.07001	0.3
114.57272	0.2
121.06502	0.2
124.07574	0.2
137.05957	1.0
142.08624	0.2
149.06079	0.2
152.06168	0.5
154.76437	0.2
163.03897	0.4
163.07527	0.2
165.06989	0.3
167.07063	0.3
167.08496	0.4
171.08029	0.2
175.07545	0.4
178.07755	2.9
179.08479	0.4
181.06425	0.5
185.05852	0.3
189.06972	1.7
190.07758	0.9
191.08551	0.7
193.08481	0.2
193.10153	0.5
195.08072	1.2
197.09610	0.2
202.07741	0.6
203.08516	0.8
205.06482	0.9
206.07245	6.4
207.07970	0.6
208.08714	0.3
209.06004	0.3
209.09578	0.6
210.06706	0.7
210.10388	0.9
211.07513	0.4
212.16391	0.6
216.05745	0.3
217.06415	1.1
218.07292	2.3
219.07962	1.0
219.32318	0.2
220.05289	0.3
220.08931	0.9
221.09604	16.9
222.10089	0.4
223.07558	1.2
224.08304	3.3
225.09111	1.5
231.08046	0.4
234.06729	8.0
235.07617	0.9
235.11304	0.3
237.09067	0.7
238.09860	4.9
245.06978	0.3
248.08226	0.5
248.11916	0.2
249.09096	40.2
250.09627	1.0
251.07013	0.6
251.10724	0.7
253.12259	1.4
253.20360	0.2
254.17491	0.3
259.08603	0.4
263.07257	0.2
265.08505	0.2
266.09357	8.6
266.11523	0.3
267.09927	0.4
277.08585	0.2
281.11697	100.0
282.12109	2.4
298.14359	29.5
299.14642	0.6
367.67673	0.2
374.21683	1.2
404.22672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.8
55.01854	7.3
55.05262	2.4
55.05509	34.7
55.23227	1.6
57.03434	13.6
57.07063	3.0
61.02924	26.6
65.03943	2.3
65.58884	1.5
67.05499	64.5
69.03430	10.9
69.07065	20.5
70.06583	3.5
71.04995	10.1
71.64874	2.0
73.02910	11.2
79.05051	3.2
79.05488	50.9
81.03408	14.6
81.06574	2.8
81.07052	54.3
83.04966	8.1
83.08607	17.1
85.02898	19.6
85.06521	5.0
86.09687	3.5
91.03958	11.5
91.04955	3.1
91.05479	43.3
93.07033	41.3
95.04945	9.7
95.08594	40.4
97.02876	18.0
97.06519	6.3
97.10152	15.3
99.04430	2.5
99.08076	4.6
103.05472	1.8
105.07021	39.0
107.04951	6.9
107.08588	28.3
109.02895	2.7
109.06514	7.7
109.09550	1.9
109.10159	19.2
111.04399	2.6
111.08067	4.1
111.84568	1.8
115.03920	1.8
115.05449	5.0
117.07009	24.3
119.08572	30.9
121.06461	4.8
121.10136	18.7
123.08058	7.3
123.11671	4.8
125.09624	15.5
127.03894	3.8
128.06203	4.9
129.06992	18.0
131.08571	37.1
133.06448	3.1
133.10129	20.5
135.08051	7.0
135.11646	11.8
137.09694	2.1
141.06958	5.9
142.07727	5.7
143.08546	25.1
145.06471	6.0
145.10112	30.1
147.08029	7.5
147.11668	10.6
149.09579	5.9
149.13220	3.3
153.06921	1.9
154.07806	2.2
155.08537	14.8
157.10132	26.2
159.08009	4.3
159.11662	21.3
161.09619	8.9
161.13263	5.9
163.11163	5.3
167.08543	8.4
168.09227	2.8
169.10085	17.0
171.08104	2.6
171.11667	22.0
173.09587	4.7
173.11855	2.9
173.13196	12.5
175.11166	4.4
175.14670	2.4
179.08531	3.0
180.09360	1.9
181.10069	7.2
183.11661	16.2
185.13232	15.4
187.11180	3.3
187.14763	5.9
189.11214	7.9
189.12726	3.6
193.10097	3.1
195.11659	8.4
197.09769	2.0
197.13255	13.5
199.11270	3.4
199.14809	8.0
201.12799	2.7
201.16510	2.8
207.11720	3.3
209.13269	9.0
211.14789	6.6
213.12769	2.4
213.16376	2.1
215.14316	1.9
221.13348	3.8
223.14778	5.3
225.16548	2.8
227.12698	11.5
229.14201	3.2
235.14867	2.7
239.18094	2.6
247.14757	2.2
247.17072	2.3
259.20383	1.8
261.16116	2.4
265.19714	2.0
267.15790	2.8
271.16763	2.1
271.20432	2.4
273.18539	4.2
275.20035	2.1
283.20499	6.4
285.21890	4.0
287.20126	2.5
291.19751	3.3
295.20309	2.5
299.20197	3.6
299.23694	8.7
301.21658	2.2
321.22003	3.5
327.23462	1.8
337.21640	2.1
339.23022	3.2
359.25711	2.2
361.23660	1.7
365.24298	2.0
367.26440	2.3
371.25519	2.8
405.31573	2.2
415.29794	6.8
421.25958	2.9
433.30997	19.2
451.31964	14.0
469.33072	6.7
499.34088	3.3
507.34561	9.8
517.35266	23.0
525.35773	76.5
526.36035	2.1
529.48694	2.1
539.36603	2.4
543.36737	100.0
557.38300	20.3
575.39447	30.7
651.38507	3.1
669.38544	2.7
679.40253	6.0
705.41479	2.4
719.40833	2.3
737.46021	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	730.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.2
67.05492	0.3
70.06567	0.3
70.13070	0.1
79.05444	0.3
81.03396	0.1
81.07041	0.9
83.12756	0.1
85.02882	0.4
91.05473	0.4
93.07010	0.5
93.68948	0.1
95.04971	0.7
95.08610	0.8
97.06503	0.5
97.10165	0.3
105.07022	1.4
107.08604	0.6
109.06490	0.2
109.10143	0.6
111.11687	0.2
115.05509	0.1
119.08568	0.5
120.23553	0.1
121.10132	0.6
123.08009	0.2
123.11630	0.2
131.08540	0.2
133.10092	0.6
135.11665	0.3
136.06148	0.3
137.05927	0.4
137.09572	0.3
145.10118	0.5
147.11655	0.4
159.11691	0.5
161.13246	3.3
163.14813	0.5
165.07065	0.2
167.07117	0.1
173.13208	0.2
176.93208	0.1
178.07735	1.5
179.14122	0.2
181.34744	0.1
189.06982	0.9
189.12245	0.1
190.07733	0.8
191.08488	0.5
191.17911	0.4
192.09335	0.3
193.10086	0.2
195.07986	0.1
201.16371	1.7
202.07750	0.6
203.08522	0.5
205.06422	0.7
206.07257	3.1
207.07904	0.2
208.08853	1.3
209.09453	0.2
217.06473	0.5
218.07265	2.4
219.07988	0.7
219.17436	5.7
220.08714	0.7
221.09602	21.9
222.09735	0.7
223.11200	1.9
223.13193	0.2
224.11720	0.2
230.07265	0.2
231.08131	0.2
232.08792	0.1
233.09601	1.8
234.06747	5.0
235.07454	0.7
236.08286	1.4
237.09114	0.2
237.18486	7.2
238.18802	0.2
246.06792	0.4
247.07542	0.5
248.08302	0.9
249.09097	17.7
250.09402	0.6
251.06984	0.3
251.10675	1.1
252.07823	0.3
255.19542	1.1
259.08911	0.3
261.09061	1.0
262.09885	0.4
263.07123	0.4
264.07813	1.9
277.08514	0.2
278.09448	0.4
279.10141	100.0
280.07321	0.1
280.10486	3.3
296.12796	40.6
297.13135	1.0
417.24881	0.5
557.35461	0.2
748.22131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
51.63858	0.4
53.03940	0.4
55.01862	1.2
57.03447	0.5
57.50167	0.3
58.06578	0.4
65.03957	0.5
67.05484	1.0
69.03415	1.4
70.06570	0.9
70.09351	0.8
70.09766	1.1
72.31312	0.3
77.11892	0.4
78.38284	0.3
79.05493	4.9
81.03417	1.4
81.07038	0.6
85.02912	3.3
87.00819	0.6
89.03939	0.4
91.05479	4.0
93.07026	1.4
95.04955	1.4
95.08580	0.3
97.02893	0.7
97.06525	1.0
98.21463	0.6
103.05460	5.2
104.06239	0.6
105.01822	0.5
105.07026	21.4
107.04967	4.5
109.02860	1.4
109.06522	1.7
115.05445	1.5
117.07005	0.6
118.04146	5.4
119.04959	2.1
120.05691	1.2
121.06492	3.5
122.07293	1.3
123.04418	1.6
123.08061	1.2
124.05182	1.5
127.03899	1.3
131.04916	1.2
132.05698	0.9
133.06487	20.7
134.07268	0.8
135.04411	1.4
135.08052	3.8
137.05969	8.1
137.09573	0.3
142.81538	0.3
145.06418	0.9
146.03642	0.6
147.04367	1.2
147.08031	0.8
148.05196	1.1
149.05984	3.6
150.06769	11.0
151.07538	4.5
151.65434	0.4
161.05975	3.5
163.03885	1.0
163.07527	4.8
165.05431	0.4
165.09109	14.5
165.10522	0.8
166.06305	0.4
167.07025	16.2
175.07535	0.7
177.05495	2.9
178.06233	1.8
179.07030	4.2
181.08589	3.4
188.80469	0.4
189.09056	0.5
191.07016	0.8
193.08598	100.0
194.09097	1.6
195.10159	9.5
199.07620	0.4
203.06989	1.1
205.08524	0.5
207.10062	0.5
209.08142	3.2
211.09650	95.6
212.10025	1.4
213.11243	1.9
221.08012	0.8
227.07082	0.5
235.09647	2.7
241.08368	0.4
247.09544	0.4
255.22395	0.4
259.09616	1.9
277.10681	1.4
279.10266	1.9
281.08118	0.6
285.50150	0.4
296.10187	0.4
301.10672	2.0
319.11819	0.4
335.95370	0.4
405.11786	0.3
405.19131	1.1
423.12698	1.3
551.12000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5613
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
55.05507	11.3
56.05020	3.0
57.07047	5.9
58.06579	1.6
60.04525	71.9
67.05506	16.1
69.07063	13.0
70.06572	2.2
71.08614	3.1
71.15270	3.9
72.04526	1.8
74.06100	1.9
79.05499	8.8
80.05003	2.2
81.03409	4.6
81.07057	12.8
82.06582	4.0
82.60363	1.6
83.08632	8.2
86.06059	2.2
90.05565	2.4
91.05500	10.8
93.07040	9.3
94.06555	5.6
95.07339	2.1
95.08605	12.0
96.08096	2.1
97.06521	2.4
97.10149	5.8
105.07014	7.0
107.08535	5.1
108.08092	1.8
109.10122	4.8
110.09672	1.9
119.08566	5.6
121.10146	6.2
133.10118	4.4
135.11656	3.2
142.85577	1.5
147.11630	1.9
173.97905	1.8
200.75905	1.7
233.22701	1.7
245.22714	3.6
246.09386	1.5
250.25137	2.2
254.24721	2.1
262.25317	30.4
263.23645	3.7
272.25781	5.9
280.26364	24.0
294.17261	1.7
298.27319	7.0
314.26767	3.0
316.28357	2.0
344.27899	2.2
516.47729	2.0
534.48798	15.0
552.49915	100.0
553.50012	4.1
570.50891	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	729.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01864	1.9
61.02914	1.8
61.79767	1.3
65.03945	6.9
65.14556	1.0
67.05502	1.9
69.03410	4.1
70.06589	2.3
71.04973	1.6
71.15398	2.6
78.04695	3.0
79.05507	6.2
81.03406	3.6
81.07045	1.6
82.04203	0.9
85.02909	11.1
87.45914	1.0
91.05484	8.4
93.03420	2.0
93.07038	1.9
95.01322	1.2
95.04954	3.7
96.39330	1.0
97.02882	4.3
99.04446	1.4
103.05473	5.4
105.07049	8.5
106.04150	1.4
107.04961	10.4
110.03671	7.1
111.04452	8.5
115.05463	5.5
117.07011	1.5
117.18945	1.0
118.04105	2.5
119.04954	6.8
119.08583	3.3
121.02851	1.1
121.06481	2.0
122.03642	2.3
123.04454	6.7
124.05209	2.9
125.05998	7.5
127.03855	1.9
128.06219	2.7
129.07018	5.7
131.04933	8.0
132.05722	3.8
133.02824	3.0
133.06502	5.2
134.03647	1.1
135.04387	2.4
135.73480	1.1
136.05194	2.3
137.05995	10.7
143.04929	1.1
144.05724	2.6
145.06462	2.6
147.04408	11.3
147.08031	4.2
149.05978	1.9
151.03876	2.5
151.07536	3.9
152.04649	3.4
153.05469	30.6
156.05701	2.1
157.06467	1.1
159.08072	8.8
160.05183	2.8
161.06007	7.1
163.03932	1.8
163.07562	2.1
165.06966	1.2
167.07047	100.0
168.07466	2.2
169.06395	1.8
172.04976	1.0
173.06053	2.0
175.06032	2.3
175.07544	33.8
176.04790	1.0
177.05394	2.1
179.07051	10.0
183.06572	1.3
184.05200	2.9
185.05959	1.6
186.06767	1.5
187.07535	15.8
189.05424	3.5
189.07010	2.5
189.09094	1.6
190.07753	2.7
191.07034	15.6
191.08559	3.2
193.07048	0.9
193.08583	6.8
199.07539	13.3
201.09134	3.8
202.07762	2.8
203.08658	5.9
205.06450	3.4
206.07234	3.0
207.06441	2.3
207.08138	2.8
209.07932	1.2
215.06892	2.5
215.08646	2.7
216.07835	2.6
218.07283	3.3
219.08072	9.2
220.08810	2.9
221.06114	2.4
221.09589	3.1
222.41154	1.5
229.08633	3.0
230.07301	2.1
231.08009	5.7
232.08896	2.6
233.06100	3.5
233.09460	6.5
234.06702	4.7
234.10287	1.1
235.07564	6.6
236.08307	4.6
237.09138	3.1
245.05989	1.9
246.06732	3.2
247.07555	9.2
248.08339	6.2
249.09158	7.2
250.09853	1.8
251.07036	1.9
251.10651	6.9
253.08559	2.0
258.06671	1.6
259.07504	4.1
259.58664	1.1
260.08228	2.8
261.05496	3.1
261.09177	7.0
262.06259	1.4
262.09830	3.3
263.06931	5.7
263.10602	3.1
264.07895	5.9
265.08612	8.3
273.09113	2.0
274.06100	2.1
275.06985	3.9
276.07803	12.5
277.08594	8.0
277.11456	1.2
278.09311	8.3
279.10059	6.2
280.07220	1.2
281.08221	2.1
281.11569	2.4
287.06461	1.2
288.07825	2.1
289.08560	6.3
290.09341	3.9
291.06863	2.1
291.10190	7.6
292.10791	1.7
293.08090	6.7
293.11691	8.5
294.08871	2.3
294.12076	4.6
301.08655	1.2
304.07288	4.6
305.08029	3.8
306.08823	3.4
307.09583	15.9
308.10355	6.1
309.11151	6.6
310.14386	2.8
311.09586	1.1
311.12375	5.6
317.06506	3.4
318.07022	3.0
319.09793	22.5
320.10321	4.0
321.11142	10.8
322.11810	1.4
323.12735	9.4
325.14490	1.4
336.09814	1.8
337.10510	1.8
339.12289	53.4
340.12457	2.1
341.13828	10.5
351.12283	57.1
352.12695	3.0
353.13919	11.2
355.15399	1.7
369.13303	6.9
480.12656	1.2
499.17810	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39379	0.4
52.66012	0.5
52.72445	0.4
53.03923	0.8
55.05500	1.0
57.03437	2.3
61.02925	3.4
65.05441	0.5
67.05497	1.9
69.03418	3.0
69.07075	1.0
70.06593	1.0
70.78050	0.5
70.78395	1.4
71.04983	1.8
73.02922	3.5
77.54272	0.5
79.05486	2.8
83.04980	1.4
83.08603	1.3
85.02901	5.9
91.03947	2.2
91.05474	4.3
93.07053	2.5
95.04972	3.1
95.08598	1.8
97.02877	4.3
97.06548	1.0
99.04449	1.0
101.02380	0.9
105.07015	2.9
107.04945	0.9
107.08607	1.6
109.02905	0.6
109.06540	0.7
109.10185	0.5
111.04437	0.5
111.08127	0.8
111.13033	0.6
115.03945	0.6
119.08576	2.9
121.10144	2.2
127.03916	1.3
129.07024	1.3
131.08571	2.1
133.06526	0.9
133.10115	1.8
142.07835	0.5
143.08434	0.5
145.06529	0.5
147.11700	1.4
149.09615	1.4
157.10150	2.2
157.18913	0.5
163.03915	0.6
167.07010	0.7
175.11206	1.6
193.08754	0.5
193.12276	2.1
211.09834	0.6
211.13373	1.1
243.08482	2.0
251.12550	0.9
267.15909	1.0
283.15192	4.0
339.17929	0.9
469.20438	9.3
501.23093	10.0
567.30658	0.6
586.96960	0.5
729.36627	100.0
730.37390	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	728.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38387	0.2
67.05490	0.2
69.53917	1.6
70.06575	0.3
79.05499	0.3
81.03405	0.2
81.07044	0.3
85.02866	0.3
91.05450	0.2
93.07018	0.2
95.08573	0.2
105.06995	0.3
107.04955	0.2
109.06488	0.4
145.33017	0.2
159.11638	0.6
163.03807	0.2
165.06943	0.3
177.12747	0.7
178.07724	2.1
179.08382	0.2
189.06944	0.7
190.07713	0.6
191.08536	0.6
192.09209	0.2
193.10017	0.3
193.32184	0.2
202.07808	0.5
203.08623	0.4
205.06461	0.6
206.07278	3.3
207.08000	0.2
208.08832	1.6
209.09392	0.2
217.06523	0.5
217.15875	0.6
218.07239	2.4
219.07991	0.6
219.13733	0.2
220.08878	0.4
221.09613	20.7
222.09938	0.6
223.11179	2.0
233.09612	1.6
234.06755	4.6
235.07553	0.8
235.16946	0.8
236.08272	1.7
237.08736	0.2
244.49423	0.2
246.06726	0.4
247.07539	0.3
248.08382	0.8
249.09103	17.4
250.09435	0.5
251.10658	1.1
252.07846	0.2
259.08688	0.3
261.09082	0.8
262.09875	0.5
263.06964	0.7
264.07800	1.7
265.12274	0.2
278.09390	0.5
279.10150	100.0
280.10483	2.9
293.11462	0.3
296.12805	37.2
297.13025	0.9
301.07166	0.2
459.27289	0.7
477.28479	0.3
478.14008	0.2
585.74640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1866
Annotation	Primflaside
Peak:m/z	Relative Intensity
55.01863	1.3
57.03431	3.6
58.06594	0.3
59.04992	0.7
61.02933	2.1
62.30838	0.2
68.99776	0.4
69.03075	0.4
69.03427	7.5
70.06587	1.8
70.29259	1.0
71.01359	1.1
71.04986	0.5
72.08161	0.3
73.02911	11.9
81.03397	0.9
83.04961	0.3
84.08121	0.5
85.02901	8.7
86.09708	0.4
87.04453	1.0
91.03941	0.3
95.04922	0.5
97.02884	10.8
99.04471	0.7
103.03938	0.7
105.47848	0.2
109.02859	1.0
111.00776	0.6
111.04425	0.4
114.10276	0.5
115.03924	6.4
121.02884	0.6
123.04386	0.4
127.03913	3.0
133.04953	5.9
133.06454	0.3
137.02347	2.0
137.05956	0.3
139.03993	0.3
143.03409	0.4
145.04942	2.8
147.04391	0.3
149.02344	0.3
153.01830	2.2
155.04865	0.3
157.04930	0.7
161.05986	0.4
163.03941	1.2
163.06007	0.9
165.01831	1.6
169.04979	0.6
175.05901	0.3
183.02887	0.8
193.04942	0.2
199.06030	0.4
201.05478	1.3
211.06009	2.6
219.06818	0.3
223.05949	0.3
229.04950	2.8
229.07068	1.4
241.07059	0.5
247.05975	0.5
247.08185	1.0
257.04437	2.2
257.90201	0.2
259.08163	0.6
265.09116	0.5
274.04562	0.5
275.05438	0.2
285.03937	0.7
287.05539	0.5
295.10168	0.4
303.04971	100.0
304.05347	2.9
315.05008	0.6
345.06042	0.9
369.06137	0.3
435.09317	1.1
447.09033	0.4
465.10315	1.5
584.17816	0.3
597.14325	0.4
685.29944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00873	0.4
53.03947	2.4
55.01867	2.4
56.78503	0.5
57.03426	1.1
59.22023	0.4
61.02906	0.9
65.03933	3.5
67.05495	1.0
69.03408	1.5
69.64986	3.5
70.06570	1.6
71.04975	1.0
75.04471	3.7
77.03902	0.5
78.04697	2.8
79.05485	3.2
81.03422	2.3
81.07090	0.6
84.08152	0.7
85.02900	6.0
86.09690	0.7
87.00803	0.7
87.74843	0.5
89.03908	1.2
89.06016	1.3
91.05478	14.0
93.03403	10.6
93.07033	7.5
95.04960	5.6
97.02901	1.0
97.06535	3.2
98.20816	1.1
103.03960	0.5
103.05466	8.5
105.01819	0.5
105.04522	0.7
105.06366	0.9
105.07024	10.5
106.04166	29.0
107.04987	2.6
109.02870	1.7
109.06511	1.6
111.04483	1.1
111.20323	0.5
115.05452	1.1
115.44286	0.6
117.03341	1.2
118.04140	1.7
119.04926	1.4
121.06499	32.9
122.03613	0.7
122.07307	0.6
123.04386	1.7
123.08030	1.0
124.05225	0.9
125.05987	8.1
127.03915	2.0
131.04887	2.5
131.05850	0.5
133.05580	0.8
133.06490	8.8
134.03633	3.5
135.04387	1.7
135.07990	1.0
136.06190	0.9
137.05969	9.8
138.06804	1.0
139.07561	2.4
143.08575	0.7
145.02843	1.3
145.04932	0.8
145.06277	0.6
146.03604	0.5
147.04428	1.4
148.05162	3.5
149.05975	49.0
150.06740	2.5
151.07564	3.0
152.08279	1.0
153.05475	1.1
153.09096	12.6
157.10033	0.9
161.05986	7.8
163.03888	1.9
163.07526	3.5
165.05531	0.5
165.09132	4.0
166.06277	1.2
167.07027	1.8
175.07549	1.0
177.05458	26.4
178.06281	3.0
178.07591	0.5
179.06949	0.8
181.08589	22.0
185.13213	3.2
191.05368	1.0
191.07019	14.5
193.08598	48.4
194.09120	1.4
195.10033	0.5
199.07501	0.5
200.72159	0.5
205.08569	1.0
209.08081	100.0
210.08397	0.9
211.09631	6.0
229.12198	1.5
235.09642	5.8
249.09085	0.6
253.10721	5.8
259.09732	0.7
277.10672	0.7
279.10086	3.1
296.12827	0.7
301.45560	0.5
728.40045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2072
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01871	0.5
57.03434	2.0
58.26029	0.3
59.04988	0.5
61.02921	0.7
62.10756	0.3
65.14292	0.3
65.22900	0.3
66.89198	0.3
68.99783	0.7
69.03427	3.6
69.33061	3.7
69.33402	0.6
71.01358	0.5
71.04994	10.1
73.02907	4.7
75.04481	0.8
81.03406	0.6
83.04980	2.4
85.02899	17.7
87.04441	0.4
97.02880	4.7
98.21571	0.4
99.04453	0.6
109.02879	0.5
111.00787	0.6
111.04444	1.7
115.03913	1.9
121.02862	2.3
127.03931	1.1
129.05482	4.1
133.04958	0.9
135.04398	0.3
138.96503	0.3
139.03899	0.4
145.04953	1.0
147.06519	2.4
153.01859	2.2
157.04994	0.3
157.06519	0.4
158.83461	0.4
165.01830	1.5
183.02872	0.6
213.05469	1.0
225.07649	0.7
241.04866	0.5
243.08577	0.5
258.05280	0.9
269.04340	0.4
287.05490	100.0
288.05771	2.6
299.05478	1.1
311.05737	0.4
311.23019	0.3
325.07227	0.4
329.06393	1.9
353.06653	0.4
397.09213	0.6
433.11334	0.8
449.10565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.58662	0.3
55.01869	0.9
55.05519	0.4
57.03427	0.5
58.06580	0.4
58.99590	3.1
61.02642	0.6
61.02927	6.4
65.03914	0.3
67.05499	0.4
68.69710	0.3
69.03423	1.1
70.06590	3.1
71.04989	1.1
71.63249	0.4
71.63618	0.5
72.08151	0.7
76.02224	18.1
76.03991	0.5
76.89041	0.3
78.04713	1.3
79.05492	3.1
81.03433	0.6
81.07030	0.5
84.04037	0.6
84.04500	6.2
84.08125	0.8
85.02896	2.9
86.09704	1.1
86.99036	0.7
88.02225	0.4
91.05476	1.4
93.03423	0.6
93.07050	0.6
95.04948	1.3
95.69437	0.3
97.02895	0.8
97.06537	0.3
102.05495	0.4
103.05460	1.3
105.07027	7.5
106.04182	1.9
107.04964	2.3
109.02812	0.5
109.06511	1.0
111.08144	0.4
115.03938	0.6
115.05462	0.6
116.01659	4.9
118.04120	1.1
119.04917	0.7
120.05704	0.3
121.02863	0.5
121.06496	2.8
122.03729	0.5
123.04425	4.5
124.05196	2.5
125.05968	0.3
127.03897	0.6
129.05536	0.4
129.10220	0.4
130.05005	2.4
131.04832	0.3
132.05670	0.4
133.06503	7.3
134.03622	0.6
135.04370	0.8
135.08041	1.2
136.06152	0.5
137.04262	0.6
137.05962	4.5
139.07555	1.8
139.61911	0.5
142.03236	2.1
144.01181	2.3
147.04396	0.6
148.05064	0.5
149.06003	2.0
150.01341	1.2
150.06718	2.5
151.03961	0.6
151.07451	0.4
152.04663	1.2
153.01807	0.3
161.06017	0.7
162.00807	0.5
162.02190	8.7
163.03920	1.9
165.03711	2.2
165.09106	6.6
167.07033	100.0
168.07365	1.4
170.02658	0.6
175.07521	0.3
177.03246	0.7
177.05490	1.2
178.06238	0.6
179.04848	14.6
181.08585	0.7
187.05443	0.5
191.08594	1.1
193.03180	3.1
193.08598	52.8
194.09102	1.6
195.04726	0.4
203.07011	0.6
209.08086	3.0
209.10321	0.7
210.11293	0.9
215.04779	0.6
219.08130	0.9
225.05779	1.4
227.09138	21.7
228.10141	1.5
233.05942	4.4
236.08311	0.3
245.05911	0.8
250.14272	0.5
251.07388	0.7
251.10643	1.7
268.09982	0.8
268.13406	0.6
278.08371	0.5
287.05518	7.6
288.05850	4.7
303.04855	0.4
306.10968	0.4
308.09103	32.5
309.09192	0.6
371.12646	4.7
425.14020	0.7
500.16791	1.2
674.33771	0.4
753.83643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03934	5.2
55.01869	9.3
55.05254	1.9
55.05507	24.3
57.03432	27.2
57.07067	4.4
57.49603	1.4
60.52134	1.3
61.02921	42.5
65.03927	6.0
67.05497	75.1
69.03419	19.0
69.07061	35.1
70.31844	5.9
71.01360	1.9
71.04985	7.8
71.08592	1.3
71.18166	1.2
73.02909	11.6
76.42819	1.5
77.03919	1.8
79.05484	76.2
80.05841	1.5
81.03419	19.6
81.07049	87.7
83.04977	19.0
83.08610	15.2
85.02895	53.2
85.06529	6.9
87.04453	2.4
91.03943	29.1
91.05471	65.7
93.07035	100.0
95.04961	17.7
95.08601	43.3
97.02884	27.0
97.06524	17.3
97.10144	6.2
99.04453	5.8
99.08101	7.2
103.03960	1.6
103.05442	2.7
105.07018	55.6
107.04980	7.2
107.08587	51.0
107.09178	0.9
109.02862	5.4
109.06517	6.8
109.10157	13.5
111.04443	1.8
111.08069	7.5
113.06014	1.8
113.09658	2.3
115.03936	3.0
115.05446	1.8
117.07010	22.0
119.08572	50.2
121.06493	6.0
121.10131	41.5
123.08052	5.6
123.11697	5.1
125.09633	2.6
127.03027	2.1
127.03899	15.6
127.07619	1.6
128.06230	2.5
129.05495	6.5
129.06987	13.0
131.05003	1.3
131.08559	31.0
132.85841	1.8
133.06558	1.7
133.10117	48.0
135.08026	7.2
135.11685	33.3
137.06012	2.0
137.09560	5.0
139.11159	2.0
141.06938	3.0
142.07761	2.5
143.08527	11.0
145.04950	16.3
145.06056	2.0
145.10115	19.4
147.07990	1.8
147.11676	32.8
147.12773	2.8
149.09619	15.0
149.13251	35.2
151.11163	4.7
155.08522	2.3
157.10106	12.2
159.11673	34.3
161.09641	1.7
161.13239	22.0
163.06001	13.0
163.11119	9.6
163.14806	4.9
165.09061	2.2
165.12798	2.5
169.10162	3.1
171.10246	2.3
171.11620	12.5
173.04529	1.6
173.06004	1.4
173.11865	2.1
173.13243	13.2
175.11205	3.6
175.14819	10.9
177.12737	14.3
179.14308	2.9
183.11688	2.9
185.13264	6.9
187.11105	2.2
187.14917	3.0
189.11172	2.5
189.12759	2.4
193.12183	2.2
195.13788	16.7
197.13245	3.3
199.14905	7.4
215.17979	3.1
217.12383	1.7
217.15843	2.9
217.19531	1.9
219.13870	1.7
227.12793	2.3
229.14343	3.0
229.19429	2.7
231.17276	1.9
231.21045	4.6
233.15175	1.5
238.71788	1.4
239.17931	4.2
241.19499	17.6
245.13792	1.6
247.20572	3.1
255.15933	3.6
257.19006	6.9
259.20551	53.2
261.14874	1.4
269.17453	99.9
275.20059	21.9
277.21744	8.1
281.17514	1.5
293.21201	1.9
309.20758	1.6
333.24097	8.2
349.19702	1.9
349.23743	32.1
351.25262	94.7
352.25848	1.8
367.24808	2.0
375.25311	3.1
413.21808	3.3
431.22452	1.8
441.26169	4.5
459.27499	1.8
477.28912	2.7
495.29276	5.2
574.60107	1.6
619.90582	1.4
651.39630	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	724.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05511	9.1
57.03437	11.1
67.05170	1.3
67.05502	17.0
69.03429	2.3
69.07062	3.4
70.06338	1.8
70.06738	2.5
71.04986	3.6
79.05489	14.9
81.03416	67.5
81.07057	16.4
81.30575	0.9
82.03719	0.9
83.04966	7.4
83.08621	16.2
85.02901	9.0
85.06541	1.6
90.75484	0.9
91.05482	18.0
93.07043	10.7
95.04970	24.7
95.08624	5.9
97.02894	2.6
97.06514	2.1
97.10167	4.4
99.90177	0.8
105.07030	14.9
107.04956	6.3
107.08592	5.8
109.06505	4.1
109.10145	4.4
111.04496	1.8
111.08084	7.9
113.06010	1.5
115.05453	1.7
117.07027	2.9
119.08584	13.5
121.06505	2.8
121.10131	6.9
123.08077	2.2
125.09632	2.7
129.07019	9.9
131.08565	9.2
133.06471	4.7
133.10110	6.7
137.09601	1.4
142.07732	1.7
143.08566	1.3
145.06500	3.5
145.10150	1.7
147.08078	3.4
147.11687	10.3
149.09637	4.2
157.10115	12.3
163.11278	1.4
165.12813	2.6
167.08537	1.0
175.11179	9.6
189.12717	1.3
193.10472	1.6
193.12238	25.8
205.12093	1.0
211.13306	16.1
217.26172	0.9
229.14388	1.3
241.14297	1.1
248.45670	0.9
249.14940	2.6
255.13846	2.2
267.15918	100.0
268.16272	1.9
273.14850	4.5
283.15292	1.1
285.16965	14.4
309.16809	1.0
339.23401	1.7
341.21167	1.4
349.21655	3.5
367.22678	9.9
385.23718	10.9
403.24887	2.0
405.24408	1.1
415.25027	1.3
433.25870	10.8
441.26492	6.2
454.58768	1.0
459.27432	64.2
460.27689	2.3
467.10236	1.0
477.28488	38.0
519.29926	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	724.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.6
57.03432	16.6
67.05504	52.7
69.07072	16.9
70.71729	3.0
71.04974	3.2
79.05488	31.5
81.02968	4.8
81.03416	67.8
81.07059	49.2
83.04950	3.7
83.08619	20.3
85.02898	3.7
90.05983	3.0
91.02383	2.8
91.05476	21.8
93.07030	39.2
95.04972	20.8
95.08606	32.2
97.02872	4.3
97.06499	5.5
97.10184	3.9
105.07012	20.8
107.04945	8.4
107.08593	22.4
109.06515	4.7
109.10148	15.6
111.08105	6.9
113.13622	2.9
117.07004	3.2
119.08557	23.6
121.10151	20.9
123.11719	6.5
128.43321	3.1
129.06944	6.4
130.72858	3.2
131.08553	12.9
133.10115	10.7
135.11674	9.4
142.07825	3.0
145.10107	10.0
147.08032	6.5
147.11707	8.7
149.09586	3.8
149.13261	6.4
153.10443	3.2
157.10100	10.5
159.11667	6.2
161.13235	4.5
168.24800	3.1
173.13260	5.7
175.11183	7.3
185.13324	4.5
187.14774	4.5
193.12251	16.3
196.95360	3.0
227.12781	3.8
243.21130	3.5
243.50345	3.3
261.18143	3.1
261.22153	14.4
267.15912	100.0
268.16196	3.3
301.25101	7.2
317.24814	3.8
335.21964	6.5
335.25778	97.2
390.90576	3.3
397.04181	3.4
435.32098	6.2
453.33713	4.0
469.57376	3.5
525.04376	3.4
527.37469	46.0
545.38239	17.0
569.38965	5.0
589.17493	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	724.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
54.49894	0.4
55.01867	3.8
55.05509	14.1
57.03433	4.4
57.07051	0.5
57.88121	0.4
59.04992	1.0
61.02921	4.1
65.03922	0.7
67.05500	15.2
69.03113	0.5
69.03429	6.0
69.07064	12.6
69.44823	4.2
71.04987	1.8
73.02892	1.4
79.05485	14.0
80.05810	0.6
81.03411	9.4
81.07052	13.6
82.03727	0.5
82.07362	0.7
83.01286	0.4
83.04980	3.8
83.08613	7.4
85.02901	5.5
85.06528	0.8
85.32144	0.4
86.09692	0.7
91.03944	2.2
91.04951	0.8
91.05477	9.7
93.07035	10.7
94.07359	0.5
95.04960	6.8
95.08598	5.5
97.02888	8.6
97.06518	3.1
97.10165	10.9
99.04465	0.5
105.04516	0.5
105.07032	7.8
107.04952	4.5
107.08597	7.8
109.02913	0.6
109.06503	2.0
109.10148	7.3
111.04424	0.9
111.08062	1.9
115.05438	0.4
117.06999	3.4
119.04944	0.6
119.08572	7.1
119.09357	0.8
121.06506	2.0
121.10133	4.2
123.04449	0.5
123.08064	2.7
125.09620	7.3
127.03912	1.8
127.07522	0.5
128.06183	0.5
129.05457	1.4
129.07008	2.0
130.07756	0.5
131.04977	0.4
131.08559	4.6
132.08954	0.6
133.06512	2.3
133.10147	3.9
135.08022	3.0
135.11703	1.8
137.06047	0.5
137.09624	1.7
141.06973	0.5
142.07736	0.5
143.08543	1.5
145.04961	0.7
145.06473	0.7
145.10114	4.4
147.08049	4.3
147.11632	2.3
149.09579	1.7
149.13197	0.9
151.11157	1.3
153.09084	0.8
153.12723	0.9
157.08821	0.5
157.10138	2.5
159.08049	0.8
159.11661	1.7
161.05968	0.5
161.09618	2.1
161.13145	0.5
162.10399	0.6
163.03920	0.7
163.06075	1.2
163.11183	2.5
165.09135	1.2
165.12764	0.5
171.10182	0.6
171.11641	1.0
173.11757	0.7
175.11127	2.1
177.12636	0.7
184.07304	1.1
187.11206	0.5
189.11223	3.4
189.12714	0.7
191.10629	0.9
193.12222	4.2
194.12585	0.5
195.13773	0.6
205.12231	0.7
209.11700	0.7
211.13321	2.5
223.13287	11.1
227.12770	4.6
229.12228	0.5
229.14359	1.2
245.13773	0.8
245.18983	0.8
249.14856	1.8
253.14496	1.0
255.17503	0.8
267.15829	3.5
268.16193	0.5
273.18454	7.6
283.15314	2.4
285.16928	10.6
286.17444	0.4
291.19519	55.3
292.19879	2.2
301.16708	2.2
305.93057	0.4
307.18979	0.5
347.22134	3.4
365.23206	100.0
366.23520	4.1
383.24268	0.5
407.24289	0.5
429.21045	1.1
458.27072	0.5
459.26730	1.3
475.26752	1.6
476.27350	2.4
477.27512	4.3
493.27237	0.5
509.27377	2.6
527.28369	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	722.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28574	0.1
55.01861	0.3
55.05495	0.4
56.05038	0.5
57.03411	0.2
57.07062	0.4
58.06577	1.4
58.06819	0.1
59.07371	1.1
60.08162	5.5
60.73217	0.1
67.05487	0.4
69.07050	0.2
70.06582	0.3
71.04993	0.8
71.07368	2.5
71.08614	0.3
79.05495	0.6
81.03445	0.1
81.07064	0.6
83.04941	0.1
83.08607	0.2
85.10176	0.3
86.09702	27.3
87.10036	0.2
91.05480	0.2
93.07037	0.3
95.04990	0.2
95.08598	0.3
96.08112	0.3
97.10184	0.2
98.06023	0.2
98.20714	0.2
98.98460	2.5
102.66496	0.1
104.10742	1.9
105.07001	0.2
106.06553	0.3
107.08643	0.2
109.10175	0.2
117.07062	0.1
119.08574	0.2
121.10123	0.2
122.03259	0.1
124.07597	1.3
124.99998	17.6
125.09633	0.2
131.08551	0.2
142.08629	1.6
143.01074	0.3
143.68658	0.1
147.11719	0.1
153.09126	0.3
155.00966	0.1
163.01639	0.1
169.02344	0.1
184.07332	100.0
185.07681	0.6
189.11324	0.1
222.08916	1.2
224.10406	0.4
227.12859	0.4
235.44720	0.1
238.08472	0.2
240.09869	0.2
244.03500	0.1
257.16431	0.1
282.10962	0.1
301.07159	0.4
313.27618	0.2
349.23404	0.1
354.13168	0.2
373.11359	0.3
483.36481	0.1
496.33862	0.1
510.50995	0.1
539.39392	0.1
550.34906	0.3
569.33032	0.2
722.46057	4.6
723.46405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97093	0.3
51.42856	0.3
52.76640	0.3
56.96295	0.4
56.96559	5.5
56.96819	0.3
61.02907	0.4
68.96553	0.5
69.03394	1.0
70.06559	0.8
70.23920	1.6
73.02892	0.6
74.97585	0.5
82.79918	0.3
84.96024	2.7
85.02907	2.0
85.54391	0.3
94.06520	0.3
97.02858	1.1
98.21419	0.5
98.97581	22.9
100.59773	0.3
101.00863	0.5
110.97549	6.0
112.05129	0.3
112.99127	0.6
114.81747	0.3
116.98621	16.6
118.62971	0.3
119.01881	1.3
124.99138	0.4
127.03889	1.0
128.98599	10.6
128.99548	0.6
131.00127	0.9
131.01878	0.8
132.93492	0.3
133.03419	1.1
134.99657	7.1
137.02989	0.3
137.05952	0.5
138.05481	1.3
140.00114	0.8
140.98582	2.2
143.00165	6.3
143.01909	1.1
144.98055	0.5
145.03441	1.1
146.99646	9.0
149.01225	1.2
152.00195	0.6
152.98604	1.0
153.00652	0.7
155.01903	0.7
157.03522	0.9
158.01221	0.4
158.99661	12.5
159.05013	0.7
161.01199	8.7
161.02884	1.4
163.03868	0.8
165.00668	1.8
169.03465	0.5
170.01270	0.4
170.99658	12.3
171.04996	0.7
173.01227	1.0
173.02921	2.0
174.08749	0.7
174.99095	0.8
175.04559	0.8
175.11914	0.5
177.00717	14.8
177.06000	0.6
179.02216	1.4
182.99628	8.7
183.05009	0.5
185.01279	0.6
185.02943	1.2
187.02800	0.5
187.04399	0.4
189.00710	18.6
191.02274	0.6
194.99739	0.7
195.01778	1.4
199.04425	0.4
200.02328	0.9
201.00706	42.6
203.02371	0.6
203.04007	1.1
207.01868	2.6
211.02899	0.4
212.02316	1.3
213.00771	3.3
215.04099	0.4
219.01772	36.0
219.07181	1.3
221.05086	1.8
224.02286	1.8
227.04082	0.7
229.03812	0.4
231.01735	4.6
231.03703	0.4
231.07117	1.3
233.03342	0.4
237.02817	16.3
242.03406	2.0
243.01756	16.1
245.05132	3.7
247.01498	0.3
249.02739	1.1
254.03476	0.5
255.01625	0.4
255.03877	2.1
255.06680	0.5
260.04398	0.8
261.02823	78.1
262.03238	0.8
263.06265	0.4
270.01639	0.4
273.02777	5.5
273.08069	0.7
275.06091	0.4
279.03882	47.0
280.04044	0.5
284.04333	1.4
285.02823	0.5
291.03888	14.4
291.07126	0.5
292.05447	0.5
293.05426	0.8
297.04950	1.5
302.05521	5.9
303.03867	1.6
309.05008	1.6
314.05554	1.0
321.04904	33.3
321.10321	6.4
322.05084	0.7
333.04871	3.3
337.08191	0.4
339.11496	0.7
345.04926	0.5
351.05945	8.5
355.09232	0.5
363.06104	2.3
364.05145	0.5
365.09439	0.5
368.06216	0.4
373.06155	0.5
381.07056	22.3
381.57373	0.4
382.07074	0.8
399.08099	22.8
400.07669	0.9
422.09805	2.2
423.08218	2.5
441.09167	100.0
442.09555	3.2
446.04327	0.4
453.09030	2.3
471.10001	1.1
483.10675	0.6
501.11484	1.2
525.11517	0.5
543.12012	1.8
603.14075	0.7
723.20270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01615	0.6
55.01865	6.8
55.05505	14.3
57.03175	0.9
57.03432	11.7
57.07069	0.8
59.04987	1.6
61.02908	0.9
62.13105	0.5
65.03925	1.1
67.05499	15.6
69.03434	2.7
69.07059	4.2
70.77890	1.1
71.01339	1.1
71.04971	3.1
71.82602	0.5
72.49822	0.5
79.05487	18.7
81.03410	50.5
81.07051	16.0
83.01345	3.5
83.04976	10.2
83.08610	14.3
85.02895	3.0
85.06529	0.9
88.58145	0.5
91.03928	0.7
91.05472	15.7
93.07040	17.7
95.04962	15.9
95.05552	1.1
95.08597	8.2
97.02865	2.8
97.06535	3.5
97.10152	7.1
99.04441	1.7
99.08049	0.9
103.05482	0.9
105.07023	12.6
107.04943	9.6
107.08588	11.2
109.02907	1.2
109.06501	6.0
109.10149	3.6
111.04421	2.8
111.08064	3.4
113.06056	0.8
117.07004	5.5
119.04942	1.2
119.08568	10.8
121.06476	5.2
121.10146	6.5
123.04449	1.5
123.08053	6.0
125.02383	0.6
125.06013	1.3
125.09621	5.6
128.06189	0.8
129.06992	6.2
131.04900	1.5
131.08557	7.1
133.06474	2.9
133.10114	3.8
135.04411	1.2
135.08054	3.0
135.11664	6.5
137.05971	1.3
137.09634	1.1
141.06905	1.0
142.07648	0.5
143.08556	1.5
145.02766	0.7
145.06467	2.7
145.10103	8.3
147.04385	1.0
147.08044	3.1
147.11662	4.9
149.05968	0.6
149.09613	3.5
151.07515	0.6
151.11182	0.6
153.09146	0.9
153.12746	3.0
154.07658	0.6
155.08572	1.6
157.06483	1.4
157.10100	5.5
159.08051	1.2
159.11638	0.9
161.05965	3.8
161.09608	1.3
163.03906	0.6
163.11163	12.6
169.10133	1.1
171.08026	0.9
171.10254	0.7
171.11604	0.8
173.09621	2.5
175.07513	0.8
175.11163	5.4
178.90590	0.5
181.12248	0.9
187.07622	1.2
187.11200	0.9
189.09106	1.5
189.11240	1.3
191.10661	2.2
193.12218	10.1
193.66420	0.6
194.05534	0.6
195.11772	0.8
199.11201	0.8
205.12207	1.8
209.11664	2.8
211.11191	1.3
211.13219	1.3
213.12724	0.8
218.90483	0.6
225.12750	0.6
227.12650	3.6
231.13795	1.8
235.11212	0.6
242.16844	0.5
242.95284	0.6
243.13786	1.2
249.14888	1.2
251.14433	0.6
257.15271	0.6
265.14261	1.1
267.15891	27.4
268.16556	0.6
269.15250	1.2
271.13391	2.0
273.14883	2.2
283.15359	21.6
289.14291	3.7
301.14352	0.8
303.16010	0.9
337.21625	1.0
355.22766	2.2
365.21094	3.3
383.22137	19.8
401.23129	7.7
402.23575	0.9
403.22800	0.6
407.24173	0.6
419.24185	3.1
431.24194	1.5
439.24695	2.4
457.25824	29.1
458.26187	1.0
475.26883	100.0
476.27026	5.1
493.27869	9.7
494.28156	0.7
517.27795	1.3
583.29651	0.7
601.30676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.3
55.01648	2.1
55.01868	21.4
55.05259	3.1
55.05509	41.0
55.53952	1.5
57.03436	13.7
57.07066	3.3
57.22552	1.8
58.44041	1.8
59.04967	2.4
61.02906	5.4
65.03925	6.8
67.05503	73.4
69.03075	1.9
69.03427	29.0
69.06714	2.3
69.07061	30.0
70.01521	4.4
70.01921	5.9
71.01339	2.4
71.04989	12.0
73.02919	4.3
79.05488	75.0
81.03417	100.0
81.07055	76.4
83.04974	24.5
83.08619	23.4
85.02896	25.8
85.06532	3.8
91.03938	2.7
91.05475	69.5
93.07037	63.0
95.04969	34.8
95.08604	41.1
97.02883	26.6
97.06533	23.0
97.10162	15.6
99.04492	9.9
99.08070	5.3
103.03978	1.7
103.05463	4.1
105.04575	2.5
105.07030	62.2
107.04950	22.8
107.08589	42.6
108.61098	1.7
109.02878	20.3
109.06524	12.9
109.10150	27.9
111.04423	12.4
111.08079	12.9
115.05462	3.9
117.07021	25.8
119.08575	51.9
120.00950	1.7
121.06510	8.0
121.10150	32.8
123.04441	2.8
123.08064	10.9
123.11696	9.2
125.09613	12.1
127.03898	13.9
128.06192	4.1
129.05499	8.4
129.06985	21.5
131.04988	2.0
131.08568	36.8
132.08859	1.7
133.06505	9.0
133.10120	37.2
135.08067	10.0
135.11678	13.6
137.05934	2.4
137.09634	9.9
141.06972	5.2
142.07727	5.1
143.08562	13.8
145.06462	6.9
145.10112	29.7
147.08017	6.0
147.11674	31.9
149.09601	22.7
149.13242	6.8
151.11162	6.7
153.06964	3.7
153.09093	1.9
153.12744	2.6
155.08502	7.6
155.79355	1.9
157.06439	1.9
157.10117	18.2
159.08063	3.0
159.11676	19.5
161.09593	7.1
161.13272	6.0
163.03900	3.0
163.11154	13.4
165.12762	5.7
167.08504	3.1
169.10114	6.6
171.08096	3.3
171.11740	10.0
173.04485	17.5
173.05826	2.7
173.09589	4.3
173.11858	3.6
173.13272	9.6
175.11157	11.6
175.14812	2.3
177.12759	4.4
179.08632	2.1
179.14287	3.0
181.10118	3.3
181.12196	3.5
183.11658	7.6
185.09651	1.8
185.13318	5.2
187.11133	4.0
187.14828	2.9
189.09483	1.6
189.11192	7.3
189.12708	3.9
191.10609	2.4
191.14305	1.7
193.12236	29.5
195.11700	4.7
195.13638	3.7
197.13286	4.9
199.11234	2.1
201.12776	2.3
203.14363	2.5
207.11571	2.0
211.13254	40.7
211.15184	2.9
213.16373	2.6
215.14310	3.4
227.10829	2.7
227.12752	13.8
229.14255	4.7
229.19484	3.8
239.17937	4.5
245.13576	2.3
247.20544	4.7
249.14912	2.3
257.19043	15.0
259.20612	2.1
267.15927	19.2
273.18430	3.9
275.20050	81.2
283.15564	2.3
285.16910	20.3
291.19592	5.8
293.20999	9.3
297.22095	2.0
299.20099	3.2
313.21466	3.8
315.23349	2.1
331.22598	5.0
339.22906	2.4
349.23758	38.5
355.17511	3.9
355.22098	2.0
383.22379	3.4
411.19992	3.7
419.24835	2.1
429.21118	8.2
431.29352	3.7
449.30353	3.5
455.91397	1.9
461.29443	3.6
467.31564	5.0
479.29556	2.4
485.32385	3.7
513.35577	2.7
523.34094	3.7
525.36475	2.0
541.35278	47.4
559.36237	41.1
577.37030	5.0
623.34076	3.2
667.38184	4.4
685.39410	6.2
703.40607	18.6
721.41681	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26969	2.1
52.65351	2.4
53.03940	12.3
55.01871	26.5
55.05265	3.2
55.05510	44.0
57.03445	18.1
57.07053	3.9
61.02919	3.6
65.03931	9.0
67.05505	87.5
69.03134	2.8
69.03432	33.5
69.07067	37.9
71.01340	2.9
71.04997	18.8
71.63529	2.4
73.02916	5.0
79.05495	71.6
81.03417	100.0
81.06586	5.3
81.07059	96.0
83.04983	28.6
83.08622	25.5
84.03505	2.8
85.02907	25.9
85.06534	5.7
91.05477	81.9
93.07044	64.1
95.01336	5.5
95.04975	35.6
95.08611	48.2
97.02885	28.2
97.06538	43.1
97.10152	10.9
99.04445	9.9
99.08112	4.5
103.05482	6.3
105.07033	72.4
107.04948	25.2
107.08600	40.5
109.02899	17.2
109.06498	13.3
109.10142	25.8
111.04441	11.5
111.08109	11.9
115.05453	4.5
117.07023	28.3
119.08585	54.9
121.06495	11.7
121.10149	27.2
123.04404	3.8
123.08075	9.7
123.11692	5.3
125.09633	11.7
127.03897	15.2
128.06242	5.2
129.05486	6.4
129.07010	23.6
130.07726	2.9
131.08563	37.6
133.06499	6.4
133.10133	41.7
135.08083	13.0
135.11671	13.2
137.09607	7.2
141.06995	6.8
142.07768	3.8
143.08524	13.8
145.06508	4.4
145.10132	31.3
147.08041	9.1
147.11690	24.2
147.51018	2.5
149.09615	20.9
149.13243	6.8
151.11121	4.8
153.12692	5.8
155.08594	8.6
157.06570	3.2
157.10139	23.5
159.11652	19.6
161.09636	4.7
161.13263	6.9
163.11188	11.5
165.06993	2.8
165.09100	3.6
165.12782	3.8
169.10124	12.1
171.08141	4.2
171.11661	6.3
173.04446	14.2
173.09628	4.6
173.13232	8.1
175.11191	12.4
177.12764	7.8
179.14311	5.6
181.10103	2.8
181.12186	4.2
183.11647	6.4
184.07465	3.0
185.13260	7.5
187.11183	6.1
189.11195	4.5
189.12761	3.3
191.10797	3.3
191.14293	3.2
192.68942	2.8
193.10526	3.9
193.12222	24.8
195.11667	3.1
195.13823	4.1
197.13289	4.9
199.14760	2.9
201.12732	3.3
205.12277	3.6
211.11502	4.7
211.13304	27.8
215.17993	2.9
219.17638	2.9
227.12787	7.4
229.14317	6.7
229.19440	3.7
239.17986	3.7
247.20525	6.2
249.14644	2.9
257.19086	12.9
259.20633	3.3
267.15939	23.7
269.17438	4.4
275.20084	88.5
283.15314	4.2
285.16940	15.2
291.19458	5.2
293.21149	10.0
313.21475	5.1
317.21136	2.9
331.22879	4.1
349.23819	40.3
419.24377	5.6
429.21085	9.5
449.30511	3.6
461.29083	5.4
467.31247	2.8
479.30145	5.7
485.32248	3.5
523.34052	3.8
541.35333	42.7
559.36383	37.2
601.36389	2.9
685.38989	4.7
703.40637	23.9
721.39417	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4441
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
54.81118	0.1
55.05516	0.3
56.05021	0.5
57.07063	0.3
58.06343	0.2
58.06620	0.4
59.07394	0.2
60.08163	5.8
67.05496	0.3
69.17601	0.1
69.79803	0.4
69.80223	0.6
70.05293	0.1
70.06592	0.2
71.07370	3.5
71.18338	0.1
73.98223	0.1
74.79427	0.1
78.32045	0.1
79.05492	0.2
81.07037	0.2
86.09702	31.5
90.81094	0.2
93.07049	0.1
95.08588	0.1
98.98458	2.6
104.10735	2.4
105.07017	0.3
119.08555	0.2
125.00001	20.9
143.01073	0.4
166.02602	0.2
184.07335	100.0
185.07652	0.4
235.11166	0.2
399.81479	0.2
608.11841	0.2
720.44464	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	720.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83852	0.4
53.92658	0.3
55.05253	0.6
55.05508	7.9
56.81786	0.4
67.05510	0.6
69.03419	0.4
69.07066	0.4
70.06604	1.9
71.64837	0.6
79.05475	0.5
82.06570	1.8
83.04961	1.1
83.08620	8.1
84.08125	0.9
85.02850	0.6
85.06504	0.5
87.55972	0.5
97.06553	0.5
98.09708	1.1
100.07609	2.4
100.11252	50.5
101.11630	0.4
107.08577	0.4
110.06030	1.4
111.04446	4.1
112.07614	1.1
112.11227	0.8
116.11544	0.4
117.13861	0.9
126.09135	1.0
127.08702	1.5
128.07082	3.1
139.08643	3.5
140.07056	1.2
163.03925	0.7
166.15947	0.5
167.06975	0.4
182.15402	14.6
182.16995	0.8
190.07761	0.6
191.08560	14.8
192.08797	0.7
192.13846	1.1
196.74969	0.4
205.10141	0.4
208.08868	0.8
209.16481	17.9
210.14883	18.5
219.08052	11.4
220.08694	2.4
226.19127	6.6
227.17566	1.6
228.15981	1.1
236.08321	2.8
237.08611	0.4
251.10667	11.2
268.13339	5.2
308.26981	0.9
326.28021	3.3
335.24384	0.8
336.22693	3.5
336.95380	0.4
417.32431	0.4
435.33240	12.2
453.34354	100.0
454.34683	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	720.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01863	1.8
55.05508	11.3
57.03431	12.7
57.07071	28.0
61.02906	3.5
65.03942	1.4
67.05497	22.7
69.03410	3.3
69.07068	9.4
71.04980	3.4
71.08627	21.8
71.27140	1.9
71.27482	1.3
73.02933	1.2
79.05483	15.1
81.03413	46.4
81.07049	30.5
83.04977	10.0
83.08614	23.9
85.02898	18.4
85.06529	1.3
85.10182	11.4
86.09710	1.1
89.06059	1.2
91.05476	18.1
93.07030	10.7
95.04961	16.7
95.08604	19.2
97.02879	3.9
97.06512	3.0
97.10165	5.5
105.07028	14.9
107.04961	3.9
107.08588	4.1
109.06518	4.2
109.10146	6.9
110.41474	0.9
111.04415	2.0
111.08079	6.6
113.06032	1.7
115.05427	1.1
119.08573	12.4
121.10131	5.7
123.08086	2.5
123.11694	2.9
124.99953	2.1
129.06987	7.0
131.08559	7.1
133.06564	1.4
133.10130	9.0
137.09605	2.2
137.13202	1.6
142.07794	2.2
145.10094	1.5
147.08058	1.7
147.11661	11.3
149.09631	4.4
157.10146	8.9
165.12721	2.1
175.11163	9.9
177.90480	0.9
183.79436	0.9
184.07344	7.9
193.12239	33.1
211.13283	62.2
239.23787	1.9
249.14880	0.9
257.24744	1.1
267.15891	16.8
285.16937	70.0
311.25711	1.1
313.27338	85.6
505.38806	17.5
523.39923	100.0
524.40204	2.4
720.47150	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	719.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01863	5.5
55.05507	25.9
57.03430	12.1
57.07060	4.4
57.91311	1.8
60.02162	1.8
61.02917	14.5
63.53404	1.7
65.03934	2.7
65.04670	1.8
67.05501	60.7
68.78448	1.9
69.03410	10.1
69.07063	19.5
70.20074	2.1
71.04974	7.1
71.65260	2.1
73.02901	5.5
79.05486	62.4
81.03398	14.0
81.07050	57.3
83.04964	8.9
83.08611	10.8
85.02901	11.1
85.06531	4.0
91.03938	6.7
91.05470	58.6
93.07037	58.3
95.04975	15.5
95.08602	33.6
97.02890	9.9
97.06528	9.3
97.10161	5.2
99.04436	2.1
99.08083	2.9
103.05408	2.9
105.04494	2.2
105.07021	55.9
106.07354	2.0
107.04939	7.7
107.08583	25.3
109.06489	6.2
109.10140	12.4
111.08078	2.4
113.09608	2.7
115.05442	3.5
117.07013	21.8
119.08581	42.4
121.06523	4.4
121.10133	13.2
123.04448	2.1
123.08010	4.2
123.11658	3.5
125.05947	1.9
125.09611	2.8
127.03919	3.4
128.06200	7.6
129.06990	23.0
130.07819	2.0
131.08565	29.0
133.06451	2.4
133.10132	31.4
135.08054	2.5
135.11662	11.5
139.11079	2.0
141.07025	5.2
142.07791	3.4
143.08551	27.2
145.10127	31.5
147.11670	31.8
149.09628	2.5
149.13252	6.3
151.11159	2.3
155.08565	13.2
156.09358	2.3
157.10117	17.2
159.07991	2.3
159.11708	17.4
161.09595	5.3
161.13226	17.2
163.11136	2.3
165.07045	2.6
167.08574	7.7
168.09290	2.3
169.10127	20.2
171.11667	32.3
173.04498	2.3
173.09586	3.1
173.13258	15.2
175.14796	6.5
177.12831	2.9
179.08472	2.8
181.10120	12.9
183.11671	13.7
185.13280	15.0
187.11171	2.6
187.14830	5.3
189.12695	4.6
192.73460	2.1
193.10138	5.5
195.11673	12.7
197.13188	11.7
199.14856	5.5
201.16402	2.9
205.10170	2.3
205.12297	2.0
207.11629	4.8
207.13780	6.5
209.13269	8.7
211.11148	2.0
211.14784	5.4
213.16339	5.7
219.11606	2.4
221.13240	4.2
223.14897	5.3
225.16411	4.5
231.21132	3.3
235.14810	3.0
237.16373	3.1
239.17931	2.3
241.19479	13.9
257.19022	2.6
259.20551	23.5
275.20068	7.3
279.16028	3.3
281.17438	24.9
297.22018	2.9
313.21750	2.2
315.23257	3.8
321.22195	3.6
323.23615	4.5
325.21689	3.2
333.24350	16.9
335.23523	3.4
339.22977	2.3
419.32849	2.3
429.31744	5.2
435.32721	2.3
437.33981	9.3
447.32703	19.4
465.33481	15.7
483.34891	10.4
511.37692	2.5
521.36200	8.6
529.39105	11.1
539.37256	100.0
540.37616	5.5
557.38428	64.3
558.38617	3.1
622.24164	7.2
701.42450	14.8
719.43652	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	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14555	0.4
67.05497	0.5
81.07054	0.7
86.09704	0.5
117.06989	0.4
146.06018	0.5
172.03903	0.5
184.07356	1.2
197.10840	0.6
204.06552	0.7
209.10742	1.3
210.11516	1.1
211.08739	0.7
211.12326	0.9
212.13174	0.6
221.10754	0.9
222.11589	0.5
223.08694	1.1
223.12335	2.0
224.13054	1.2
225.06596	0.5
225.10281	1.5
225.13802	3.1
226.14633	0.7
234.11519	0.5
235.12210	0.8
236.13159	0.6
237.10231	0.6
237.13875	2.6
238.14670	0.8
239.15437	1.0
249.13850	2.0
251.08084	2.1
265.10422	0.4
314.12933	0.4
316.14520	0.6
324.14969	0.5
326.13214	0.6
328.14566	0.5
330.81018	0.4
338.12772	0.5
340.14529	0.6
352.14655	0.5
358.15234	0.6
358.70621	0.5
366.16437	0.6
368.14059	0.8
376.17172	0.5
380.13675	0.6
384.16812	0.5
389.17825	1.4
402.14600	0.8
402.19244	0.5
403.15494	1.5
403.19885	0.7
404.15897	0.7
405.21228	0.9
417.16901	4.1
418.17795	3.1
419.18155	1.1
419.23151	0.8
423.91031	0.5
427.19052	0.5
429.16803	0.7
430.18341	1.0
431.19037	2.4
432.19391	3.0
433.20071	5.0
445.16632	1.9
447.16486	0.6
447.21976	11.8
448.22592	1.6
455.18448	0.6
459.22144	1.5
460.19153	1.4
461.18845	0.7
462.20267	0.6
474.20459	0.9
475.21240	27.2
476.21890	5.3
477.22739	0.7
487.21152	0.7
489.22925	1.2
493.22614	0.7
503.20020	3.3
519.24335	2.0
534.26306	0.6
535.23285	17.3
536.24036	1.1
547.23450	3.7
549.25153	2.3
561.24927	7.6
562.25635	4.4
563.26477	3.4
579.26062	0.9
590.25183	0.9
607.25726	1.3
621.27106	11.0
622.27820	100.0
623.28253	4.9
719.34277	1.7
719.46387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	15.3
55.01871	18.9
55.05510	53.5
57.03440	20.2
57.07081	4.0
59.04981	2.7
61.02919	2.9
65.03956	5.9
65.75084	2.3
67.05503	100.0
68.05829	6.0
69.03432	36.8
69.06715	3.8
69.07066	35.8
69.83666	7.5
69.84087	5.9
71.01356	3.3
71.05000	17.0
79.05493	75.4
80.05836	2.5
81.03417	93.7
81.07054	73.1
83.01360	4.6
83.04977	24.7
83.08625	29.9
85.02914	19.6
85.06548	3.9
91.05482	68.4
93.07037	62.9
93.07629	3.0
94.07380	2.7
95.04971	33.3
95.08601	40.4
97.02891	28.7
97.06532	19.9
97.10149	19.6
98.20787	2.4
99.04455	13.2
99.08094	2.6
101.02384	4.5
103.05446	4.4
105.07034	60.1
106.07366	2.4
107.04950	18.5
107.08591	44.5
109.02891	22.5
109.06532	14.6
109.10159	40.8
110.10532	3.2
111.04446	16.0
111.08078	11.8
113.22312	2.1
115.05437	4.3
117.07009	25.8
119.04998	2.8
119.08574	54.5
120.08932	3.4
121.06506	13.6
121.10139	26.6
123.04420	2.9
123.08028	12.4
123.11700	4.2
125.09601	19.8
127.03899	19.7
128.06219	4.8
129.05550	2.8
129.06979	14.8
130.07770	5.4
131.04901	2.4
131.08571	29.3
133.06488	9.1
133.10126	26.3
135.04414	3.4
135.08017	12.9
135.11691	19.5
137.09633	8.4
139.43552	2.4
141.07036	4.5
142.07782	4.1
143.08539	14.5
145.06480	8.8
145.10118	27.5
147.08043	8.5
147.11679	20.0
149.02390	3.1
149.05974	2.7
149.09604	17.7
149.13254	7.1
151.11205	6.3
153.09120	4.6
153.12767	7.0
155.08556	5.4
155.71463	2.3
157.06496	2.8
157.10147	14.0
159.08093	5.4
159.11697	13.6
161.09605	6.8
161.13226	5.7
163.11188	30.0
165.09125	4.0
165.12807	4.8
167.08469	3.8
169.10133	7.1
171.11731	6.8
173.04491	14.2
173.05840	2.4
173.09648	5.6
173.11711	6.8
173.13284	9.8
175.11159	11.4
177.12761	6.6
181.10155	4.7
181.12148	5.1
183.08083	3.1
183.11761	6.6
185.09579	2.4
185.13196	3.3
187.11217	5.0
187.14792	2.3
189.11160	11.0
191.10623	3.9
193.12231	15.5
195.11931	2.4
197.13359	4.9
199.11176	4.2
199.14818	2.3
201.12727	2.9
203.14519	2.5
209.11723	7.0
211.13252	18.8
223.13245	5.6
225.12842	2.8
227.12775	21.6
229.14218	15.7
229.19473	4.5
230.14594	5.6
239.17982	5.0
247.20543	3.7
257.19043	9.3
259.20615	3.2
267.15881	8.1
269.17468	2.6
273.18533	14.9
275.20065	57.3
276.20367	4.4
283.15390	23.4
285.10358	2.4
291.16440	4.6
291.19519	39.2
293.21225	7.2
300.65295	3.0
301.21307	2.4
313.21640	4.0
323.19955	2.7
331.22800	2.7
349.23755	16.8
351.18726	3.0
353.16180	4.5
355.17474	4.1
409.25766	3.1
410.26410	4.3
419.24203	3.6
423.27429	8.7
424.27780	14.7
427.19788	4.4
429.11584	3.3
430.12247	3.6
465.29776	3.1
483.30856	2.9
504.33984	5.0
528.37335	4.6
539.33807	17.4
557.34674	40.3
575.35101	4.8
683.38379	4.6
701.38733	14.0
719.39911	43.0
720.39606	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	718.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01869	3.8
55.05506	10.0
57.03437	10.6
57.07077	20.1
59.04989	2.1
61.02910	4.0
67.05500	11.6
68.43410	1.1
69.03410	2.5
69.07056	5.7
69.47814	13.5
71.04975	2.6
71.08628	17.8
72.96678	1.1
79.05486	8.3
81.03412	4.9
81.07056	15.6
83.01331	4.0
83.04975	5.1
83.08614	10.4
85.02885	5.5
85.10182	8.8
91.03941	2.2
91.05495	6.5
93.07034	14.7
95.04954	2.6
95.08598	15.0
97.02866	4.4
97.10141	3.5
105.07012	4.6
107.04930	4.7
107.08568	7.6
109.06525	2.0
109.10162	6.3
110.60739	1.3
111.04400	1.6
117.06990	3.1
119.08540	3.9
121.06540	1.7
121.10152	5.4
123.08089	6.2
133.10124	1.4
135.08067	1.5
135.11707	7.0
145.10123	8.8
153.12679	1.7
163.11189	15.8
173.09598	2.0
181.12248	2.2
184.07297	1.7
191.10648	1.7
209.11667	4.5
214.01480	1.6
227.12729	3.0
239.23683	1.5
283.15393	100.0
284.15793	4.7
310.77618	1.5
313.27350	73.5
314.27576	2.7
521.38391	49.9
522.38611	4.2
622.27356	4.9
718.46881	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	718.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66910	0.2
55.05498	0.3
56.05028	0.5
57.07064	0.3
57.96979	0.2
58.06599	0.4
60.07869	0.4
60.08160	6.2
61.39047	0.2
67.05499	0.5
69.07063	0.3
69.29956	0.3
69.30357	2.6
71.07365	2.8
79.05482	0.3
81.07065	0.3
85.10146	0.2
86.09700	30.8
91.05476	0.3
93.07044	0.3
95.08607	0.5
98.98459	2.8
104.10738	2.4
107.08598	0.3
109.10191	0.2
124.99998	19.7
134.31360	0.3
143.01045	0.3
164.64516	0.2
166.02580	0.3
184.07330	100.0
185.07658	0.8
186.94159	0.2
251.19966	0.3
313.27365	0.4
398.97144	0.3
409.20099	0.3
496.34293	0.3
549.20789	0.3
556.26154	0.5
622.27252	0.3
686.28406	0.9
689.41754	0.2
718.31207	0.9
718.45819	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05504	7.6
57.03443	10.9
57.07076	27.3
61.02913	1.3
61.82153	1.0
61.86584	0.9
63.43001	0.9
67.05501	13.7
69.03414	1.3
69.07074	7.1
71.05003	2.0
71.08633	20.7
73.02908	1.4
79.05495	15.0
81.03402	1.6
81.07057	22.3
83.04969	2.7
83.08618	14.7
85.02877	1.3
85.10188	10.9
89.06012	2.3
91.05472	4.7
93.07049	24.2
95.04955	4.9
95.08607	40.7
97.02871	3.7
97.06544	3.0
97.10164	4.8
98.20689	2.6
99.04446	4.0
105.07039	3.5
107.04950	6.2
107.08590	21.9
109.06486	1.6
109.10166	7.9
117.07014	7.1
118.38354	1.0
119.08582	6.2
121.06495	5.4
121.10155	11.8
123.11719	2.0
125.05975	1.5
133.10126	2.8
135.10681	2.4
135.11691	43.5
137.13237	1.3
139.07527	1.5
145.10123	24.4
163.11182	51.2
164.11528	2.6
173.09631	1.5
181.12207	8.1
184.07249	1.4
209.11679	1.6
225.13841	2.3
227.12779	62.5
238.21233	1.0
239.23645	1.6
251.08054	1.3
257.24634	2.6
283.15393	93.4
284.15659	1.8
313.27368	97.8
314.27625	4.4
359.97467	1.3
403.15326	1.7
417.17123	2.6
418.18307	1.3
432.19388	1.3
433.20453	3.4
447.21902	8.4
459.17880	1.3
475.21262	17.6
476.22400	2.4
503.20703	1.3
519.24176	1.2
521.38385	100.0
522.38440	4.2
535.23364	12.1
547.24072	1.3
561.24774	3.3
562.25720	1.8
621.26746	4.2
622.27844	69.2
701.32813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
57.03392	0.3
58.06578	0.3
58.10689	0.3
59.06115	0.3
59.38825	0.3
59.71420	0.3
67.05495	0.5
69.03416	0.7
69.07064	0.4
70.06586	0.6
79.05478	0.7
80.33928	0.3
81.03413	0.8
81.07024	0.4
83.04954	0.3
85.02900	1.4
86.06048	0.5
86.09700	0.3
91.05487	0.6
93.07034	0.3
97.02904	0.5
97.06530	0.9
105.07011	0.7
109.10143	0.3
111.15647	0.3
116.10704	0.5
116.82681	0.3
127.03945	0.4
131.04924	0.5
137.05952	0.6
142.08630	0.6
151.03906	0.3
152.06189	0.3
161.43665	0.3
163.03893	0.7
165.06934	0.4
167.07031	1.0
168.07384	0.3
178.07726	2.7
181.04977	1.3
182.05310	0.4
189.07036	0.9
189.38591	0.4
190.07784	0.9
191.07027	0.8
191.08553	0.6
192.07460	0.5
192.09200	0.4
193.06718	0.3
193.08533	0.5
193.10103	0.3
194.15375	0.3
195.97261	0.3
202.07756	0.5
205.06456	0.8
205.08379	0.3
206.07237	4.1
207.07967	0.3
208.08879	1.6
211.13290	0.3
212.16454	3.2
217.06403	0.8
218.07266	2.1
219.08104	0.6
220.08783	0.5
221.09607	21.2
222.09981	0.6
223.11214	1.7
225.07672	0.3
230.07224	0.4
233.09665	1.7
234.06737	5.1
235.07552	0.7
236.08255	1.5
237.09129	0.4
238.17993	1.9
246.06667	0.3
247.07500	0.6
248.08336	0.7
249.09108	16.4
250.09497	0.5
251.07030	0.5
251.10620	1.1
256.19055	0.9
256.72235	0.3
261.09143	0.6
262.10120	0.4
263.07037	0.4
264.07861	1.8
277.08618	0.4
279.10156	100.0
280.10495	2.3
296.12817	32.7
297.13086	0.5
370.22354	0.7
374.21725	4.3
388.23285	3.3
414.65329	0.3
531.86108	0.3
718.39978	0.7
748.16144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01879	5.2
55.05259	1.2
55.05508	17.2
57.03434	10.2
57.07063	3.3
59.04984	2.9
60.04511	1.3
61.02907	3.2
64.63892	1.0
65.03940	2.1
67.05503	100.0
69.03431	5.6
69.07066	14.8
71.04996	6.1
71.64883	2.0
73.02898	1.6
75.31709	0.9
79.05489	25.4
81.03407	8.4
81.07054	40.4
83.04984	5.4
83.08625	12.8
85.02898	6.5
85.06519	2.9
87.28745	1.0
91.03967	1.1
91.05479	26.3
93.07041	27.8
95.04970	8.1
95.08605	15.1
97.02898	4.9
97.06540	6.3
97.10153	6.1
99.04456	1.2
99.08073	1.8
104.78274	1.3
105.07027	17.8
107.04975	5.1
107.08599	19.7
109.06506	3.1
109.10152	62.6
110.07169	1.6
111.08078	4.8
115.05433	1.2
117.07003	9.4
119.08582	15.7
119.09409	0.9
121.06510	4.2
121.10117	7.8
123.08065	2.2
124.82374	1.0
125.09637	4.9
127.03891	3.0
128.06184	1.2
128.81659	0.9
129.06998	2.6
130.81380	0.9
131.08565	8.7
133.06454	2.4
133.10124	11.5
135.08061	2.8
135.11670	7.3
137.09564	3.7
143.08540	2.9
145.06473	1.3
145.10124	8.9
147.11636	6.9
149.09608	6.4
149.13225	4.2
151.11179	1.7
155.08636	1.3
155.10765	2.2
157.10126	3.1
159.11694	5.4
161.09541	1.8
161.13274	1.2
163.11194	4.4
171.11732	2.6
173.04492	1.7
173.11765	15.7
173.13200	1.6
177.12712	1.6
179.14334	1.7
183.11748	1.2
184.07326	2.4
189.11238	3.0
195.13785	1.6
227.12753	9.3
229.12062	2.5
229.14334	46.1
239.17894	1.7
247.20538	1.3
255.15915	3.2
257.19019	3.8
258.28033	5.2
259.28290	3.1
269.17459	7.4
275.20044	16.3
284.94693	1.2
291.19437	1.7
318.30038	2.3
325.20132	1.2
331.22690	2.6
338.20715	1.2
349.23727	11.6
399.23538	3.5
409.25766	10.6
423.21667	2.0
423.27408	39.7
503.33664	20.0
521.34473	2.4
576.80316	1.1
718.46155	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	718.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43999	0.2
55.05486	0.3
57.10920	0.2
61.81314	0.2
62.33174	0.2
67.05489	0.4
69.03403	0.6
69.07047	0.3
70.06562	0.5
71.63737	0.4
79.05480	0.4
81.03399	0.3
81.07040	0.4
83.08607	0.3
85.02908	0.9
86.06054	0.5
93.07031	0.3
95.04948	0.2
96.08099	0.5
97.02885	0.4
97.06551	0.3
103.05425	0.3
105.06996	0.4
107.04961	0.2
107.08542	0.2
109.02905	0.2
115.05486	0.2
116.10713	0.5
119.08603	0.2
124.03899	0.2
124.07520	0.2
130.42047	0.2
131.04887	0.3
131.08519	0.2
133.06458	0.2
136.80688	0.2
137.06012	0.4
142.08611	0.5
161.05942	0.2
163.03941	0.5
163.07521	0.2
165.05486	0.2
165.06981	0.2
167.07047	1.3
168.07343	0.3
177.05409	0.3
178.07735	2.6
181.04982	1.5
182.05330	0.4
189.06935	1.2
190.07722	1.3
191.07027	0.9
191.08553	0.6
192.07404	0.2
192.09312	0.4
193.08568	0.2
193.10185	0.2
202.07724	0.8
203.08549	0.4
205.06488	0.7
205.08226	0.2
206.07265	3.6
207.08070	0.2
208.08838	1.5
212.16489	2.6
217.06531	0.5
218.07243	2.4
219.07976	0.8
220.08765	0.8
221.09610	22.0
222.09952	0.3
223.11174	1.7
230.07353	0.2
233.09656	1.6
234.06776	4.6
235.07471	0.8
236.08255	1.4
238.18001	1.8
246.06755	0.4
247.07558	0.9
248.08403	1.0
249.09108	16.9
250.09503	0.4
251.06976	0.2
251.10612	1.0
255.08528	0.3
256.19107	1.0
259.08621	0.4
261.09067	1.1
262.09872	0.5
263.06976	0.6
264.07776	2.0
277.08591	0.3
279.10153	100.0
280.10529	1.9
296.12814	29.8
297.12967	0.3
308.91171	0.2
370.22110	0.2
374.17255	0.3
374.21707	2.7
388.15268	0.2
388.23340	3.0
556.34882	0.4
718.40210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63784	0.1
54.00817	0.1
57.03431	0.2
59.66700	0.2
61.50379	0.1
62.26598	0.1
67.05492	0.2
70.06582	0.3
71.64137	0.2
76.07128	0.2
81.07051	0.7
84.78815	0.1
85.02917	0.3
89.86072	0.2
91.05481	0.2
91.96329	0.2
93.07035	0.5
95.04947	0.8
95.08588	0.9
97.06527	0.6
97.10168	0.2
105.07018	1.5
107.08567	0.7
109.06501	0.3
109.10170	0.6
111.11719	0.2
119.08575	0.5
121.10136	0.4
123.08039	0.4
131.08556	0.2
133.10144	0.4
135.11685	0.2
137.09573	0.3
145.10085	0.5
159.11710	0.4
161.13249	4.3
163.14809	0.5
165.06996	0.2
178.07832	0.8
179.08510	1.1
189.06982	0.6
190.07750	1.2
191.08513	1.7
191.17940	0.5
192.09256	0.2
193.10056	0.3
201.16347	2.1
202.07744	0.6
203.08582	1.6
204.09320	0.7
205.06526	0.5
205.10089	1.7
206.07201	0.7
207.08020	2.5
208.08580	0.2
217.06488	0.8
218.07256	3.4
219.08044	4.8
219.17419	7.1
220.08704	0.7
221.06030	1.9
221.09605	2.6
222.06760	0.8
222.10287	1.2
224.86493	0.2
231.07968	0.3
232.08798	0.4
233.09590	3.5
234.10382	24.8
235.07530	19.4
235.10899	1.4
236.08282	5.0
237.09074	1.0
237.18466	8.0
238.19035	0.2
249.09116	1.7
250.09877	40.6
251.10246	1.3
255.19478	1.0
265.12213	100.0
266.12549	2.7
278.09232	0.3
282.14862	61.7
283.15179	2.1
417.24680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
56.05027	1.7
57.07066	4.6
60.04520	18.5
67.05501	13.8
69.02779	1.0
69.07057	8.8
70.06586	2.5
70.84097	2.1
71.08636	2.9
72.64677	1.1
77.08686	1.1
79.05483	10.0
81.07043	14.7
82.06618	1.5
83.08610	9.5
86.06039	1.5
89.96413	1.2
91.05477	2.1
93.07035	11.5
95.08593	13.4
96.08104	2.4
97.10171	3.7
100.07605	1.9
107.08581	6.5
109.10159	4.8
114.09077	1.3
121.10130	9.8
123.11711	1.3
135.11682	4.5
149.13235	2.0
241.42120	1.2
247.24220	1.8
249.66368	1.4
250.49657	1.2
258.99701	1.1
264.26828	8.6
272.25864	5.5
282.27902	14.0
300.28986	2.3
331.04477	1.3
401.92142	1.6
518.49432	3.1
536.50342	100.0
537.50403	5.0
554.43512	2.2
554.51416	21.7
575.50317	1.5
673.72888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92744	0.3
70.06583	0.3
71.63625	0.5
73.25489	0.3
74.97672	0.2
79.64919	0.3
85.02893	0.4
86.09726	0.3
95.04906	0.3
98.67351	0.3
100.29135	0.3
101.38676	0.3
101.83279	0.3
114.55623	0.3
165.06976	0.4
167.07144	0.3
178.07722	3.1
189.07069	0.9
190.07787	1.1
191.08585	1.0
202.07764	0.7
203.08630	0.5
205.06500	0.9
206.07260	3.2
208.08806	1.5
217.06483	0.7
218.07242	2.4
219.08047	0.9
220.08806	0.7
221.09616	22.1
222.10039	0.3
223.11195	1.7
229.05594	0.3
233.09572	1.8
234.06746	4.9
235.07396	0.8
236.08340	1.7
247.07462	0.7
248.08350	0.9
249.09119	16.9
250.09550	0.8
251.10661	1.0
261.09076	0.7
263.07254	0.3
264.07779	1.8
279.10159	100.0
280.10550	3.0
294.11334	0.5
296.12823	30.4
297.13290	1.3
331.26956	0.3
441.34818	0.3
459.63901	0.3
464.63193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84921	2.0
82.63171	0.3
130.68060	0.3
165.07031	0.4
178.07713	3.4
189.07001	1.2
190.07744	0.9
191.08652	0.5
193.06473	0.5
202.07736	0.5
203.08316	0.7
205.06499	1.1
206.07263	4.3
207.07922	0.3
208.08769	1.8
217.06493	0.5
218.07274	2.3
219.08067	0.6
220.08871	0.8
221.09605	22.6
222.10020	0.7
223.11177	1.9
230.07323	0.4
233.09637	1.5
234.06740	4.8
235.07530	0.7
236.08223	1.6
247.07552	0.7
248.08305	0.9
249.09099	16.9
250.09494	0.6
251.10648	0.9
261.09073	1.0
262.09781	0.7
264.07800	1.6
264.65070	0.3
279.10147	100.0
280.10443	2.8
294.11188	0.5
296.12799	34.4
297.13083	1.2
562.78912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	0.2
61.57369	0.2
69.73809	1.0
69.74224	0.3
70.06564	0.6
72.05467	0.2
72.08088	0.2
84.08102	0.3
85.02875	0.3
86.09676	0.3
137.05975	0.6
167.06947	0.2
171.08121	0.2
178.07776	0.3
179.08536	0.7
189.06958	0.4
190.07744	1.5
191.08583	0.3
202.07658	0.5
203.08609	0.9
205.06544	0.6
205.10107	0.5
206.07162	0.6
207.08006	1.6
218.07231	1.6
219.08118	1.1
220.08865	1.0
221.05965	0.4
231.08061	1.6
232.08804	1.9
233.05939	0.5
233.09599	1.3
234.06627	0.2
235.07516	6.6
235.11119	0.4
236.08168	0.6
243.07965	0.3
243.44394	0.2
245.06038	0.3
246.06714	0.9
246.09001	0.4
247.07549	4.8
247.09915	0.6
248.08261	1.8
249.09132	1.7
259.07513	3.4
260.08356	2.0
261.05945	0.4
261.09070	2.5
262.05954	0.2
262.06824	0.3
262.09879	8.5
263.07028	28.4
263.10324	1.6
264.07419	0.9
266.92096	0.2
277.08615	4.1
278.09360	42.5
279.09613	1.2
293.11694	100.0
294.08896	0.3
294.12039	3.6
310.14346	36.4
311.14767	1.1
340.26889	0.2
397.64209	0.2
398.24112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	68.9
57.03418	1.3
61.02931	1.0
61.44507	0.8
69.03435	3.8
69.56706	5.6
70.06600	0.9
70.97752	0.5
70.98111	14.2
71.95252	1.5
73.02903	2.1
74.97608	3.6
81.03419	2.2
84.96025	21.7
84.96521	1.6
85.02894	6.1
88.99158	11.8
93.49815	0.8
97.02888	4.2
97.99209	0.8
98.21555	1.3
98.97574	33.4
100.99131	8.2
101.00887	0.8
102.97066	2.9
107.00176	4.5
108.86113	0.8
110.01246	0.9
110.97539	4.9
112.99123	6.8
113.05979	1.7
116.98613	22.0
119.00154	4.7
119.01864	4.0
120.98135	0.8
124.99155	1.2
127.00745	1.3
127.03888	4.9
128.98590	11.1
131.00156	16.7
131.01076	0.8
131.01834	1.5
133.03514	1.1
134.99654	12.6
137.02921	1.3
137.05971	1.0
139.00679	3.0
140.00116	1.4
140.98672	1.4
143.00148	8.3
143.01871	2.2
145.01709	2.5
145.03503	0.9
145.04961	1.2
146.99634	9.4
147.04433	2.5
149.01208	14.2
152.98505	1.1
153.00656	0.9
155.00156	1.8
155.01892	1.5
157.01729	8.9
158.01192	1.0
158.99622	9.6
159.00647	0.9
161.01225	12.1
161.02945	3.4
162.99026	1.1
163.02756	5.2
163.03954	3.7
165.00722	8.6
167.00186	4.0
167.02194	1.2
169.01735	1.8
169.03317	0.9
170.99629	8.7
171.00916	1.2
171.03281	5.9
171.05029	3.6
173.01233	11.2
173.02940	4.2
175.02800	6.8
175.04378	2.1
177.00705	11.1
179.00224	1.1
179.02263	3.6
181.01767	3.8
181.03526	1.4
182.99628	8.5
183.01706	5.7
183.03195	1.4
184.02820	0.8
185.01241	9.0
185.02991	2.3
185.04823	1.0
185.06572	1.7
187.02820	5.0
187.04301	0.9
189.00699	13.6
189.04361	16.5
189.06021	1.9
191.02284	9.7
191.03870	2.1
193.03870	5.2
195.03288	1.2
197.01215	29.3
197.02583	1.1
199.02776	6.4
199.04404	1.5
200.04495	0.9
201.00685	25.1
201.06148	1.0
202.02696	0.8
203.02280	2.9
203.03992	1.1
205.03827	1.9
206.99896	1.3
207.01759	8.0
207.05345	3.2
211.02826	4.4
211.04727	1.5
212.02438	1.4
213.00703	2.1
213.04230	1.1
214.03848	1.0
215.02249	74.6
217.03880	3.2
219.01756	26.6
221.05038	1.6
224.02303	1.4
225.00670	2.6
225.02734	2.0
227.02179	1.2
227.04109	1.6
227.07770	0.9
229.03793	7.5
230.03580	1.3
231.01810	3.5
231.07277	1.1
232.03343	1.5
233.03307	100.0
234.03757	1.1
237.02780	19.8
237.05067	1.1
238.03859	5.8
239.02232	10.2
239.04294	1.3
241.00226	1.0
241.03833	2.3
242.03412	1.2
243.01859	7.3
243.05252	1.5
245.03075	1.4
245.05103	2.7
247.04826	2.5
249.02739	4.1
249.08208	1.9
249.53627	0.8
251.04396	7.2
253.03703	12.3
255.03702	1.5
256.04874	4.2
257.03284	23.6
259.01245	1.4
259.04810	2.9
260.04379	1.2
261.02798	21.8
261.05637	1.6
263.04114	1.1
269.03186	8.6
271.04782	20.9
272.06757	1.7
273.02548	1.2
275.04291	11.2
277.05804	1.4
279.03888	13.1
280.04846	2.2
281.06995	6.3
283.04831	15.6
287.04340	14.1
289.05920	4.1
291.03964	3.6
292.06042	2.9
293.05222	3.9
299.04337	2.2
301.02496	1.7
301.05927	22.9
302.05484	2.0
303.03964	1.1
305.05438	1.5
310.05930	1.5
311.04294	5.3
315.04330	1.0
317.05389	2.0
319.06891	1.0
321.04901	7.3
321.10300	1.6
324.07639	2.0
329.05383	36.8
333.04752	1.8
337.08005	17.7
341.05463	1.0
347.06458	75.4
348.06604	1.3
351.06052	4.6
351.11356	7.7
352.06876	1.1
355.04642	0.9
355.09039	15.0
359.06299	5.3
362.09619	4.7
362.60007	1.0
365.07489	6.5
370.08072	10.2
371.06625	3.6
373.05301	29.2
377.07336	3.4
381.06903	5.2
389.07480	7.8
391.05374	11.1
397.10159	10.2
399.08212	5.2
401.07550	2.4
407.10187	1.7
414.06851	1.6
415.05493	1.9
417.04544	3.0
419.08389	3.9
431.09058	0.9
449.09683	5.8
457.12222	1.3
471.09927	4.7
491.10535	4.8
493.08398	1.8
507.10294	2.8
509.11734	11.6
513.11359	8.5
531.12323	1.2
535.09650	2.6
539.12799	23.7
551.12805	2.0
553.10083	6.1
583.11621	6.7
655.18134	1.0
671.17059	10.0
715.15967	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	714.5504
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03950	0.5
55.05506	3.7
55.99407	0.3
56.05049	2.6
57.03390	0.4
57.07069	1.9
58.02935	0.4
58.06583	0.8
60.04525	2.2
65.03927	0.5
67.05170	0.6
67.05502	7.9
68.05016	0.7
68.05765	0.3
69.03407	0.7
69.06727	0.4
69.07068	5.2
70.06577	1.4
71.08604	1.1
79.05492	6.9
80.05007	2.1
81.03379	0.4
81.05785	1.3
81.07048	6.7
82.06573	4.5
83.08627	3.2
85.02893	2.0
85.10168	0.5
91.04961	0.5
91.05477	6.1
93.07036	7.3
94.06564	13.7
95.04960	1.1
95.07346	5.4
95.08604	6.8
96.08125	3.2
97.02866	0.8
97.10171	2.0
100.07642	0.5
105.07011	4.5
107.08590	4.4
108.08114	2.5
109.10158	2.9
111.11703	0.7
119.08565	5.4
121.08849	0.5
121.10143	5.1
122.09679	1.8
123.11712	1.0
127.03958	0.5
133.10104	3.4
134.09627	0.6
135.10683	0.5
135.11691	3.4
136.11137	0.5
137.13304	0.5
141.78506	0.4
147.11703	1.0
149.13263	0.9
151.14786	0.6
161.13226	1.1
163.14848	0.6
165.50203	0.4
175.14706	0.5
191.17949	0.8
193.19403	0.4
219.21196	0.9
233.22636	3.6
234.22162	0.5
245.22656	4.4
250.25273	7.0
254.24794	1.2
260.23633	0.6
262.25287	100.0
263.25732	2.8
264.26657	0.5
269.79318	0.4
272.25827	4.8
280.26355	7.4
442.31851	0.5
504.47736	5.7
516.47748	28.8
517.47949	1.5
518.49286	4.8
534.48773	18.4
535.48724	0.8
696.54169	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	712.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01882	0.7
55.05519	4.0
56.05029	1.5
57.07075	4.7
58.42794	0.7
60.04514	1.8
65.03938	0.9
67.04244	1.0
67.05501	10.4
68.05017	1.4
69.03448	1.0
69.07069	4.8
70.06572	1.1
70.97837	0.8
71.08622	3.1
71.16733	2.4
79.05489	10.8
80.05022	3.8
80.05414	0.7
80.27537	0.7
81.07055	9.5
82.06588	7.8
83.08608	3.2
85.02891	2.6
85.10136	0.7
91.05476	17.9
93.07044	8.9
94.06565	21.9
94.64510	0.8
95.04937	2.3
95.07370	4.6
95.08002	0.9
95.08598	9.1
96.08118	2.2
97.02877	1.5
97.10176	1.6
102.00000	0.7
103.05479	0.8
105.07022	11.3
106.06563	3.9
106.76689	0.7
107.07351	1.7
107.08599	5.0
108.08109	11.6
109.05878	0.8
109.10161	3.8
115.05420	1.0
115.80390	0.7
117.07009	7.1
119.08573	11.1
120.08089	3.1
121.10131	4.6
122.09653	6.7
122.10474	1.1
127.03973	1.0
129.07021	1.1
130.07797	0.8
131.08571	9.4
132.08096	2.1
133.08855	2.0
133.10121	7.9
134.09648	6.3
135.11681	1.4
137.13237	1.5
145.10126	3.7
146.09657	1.6
147.10406	2.6
147.11623	2.2
148.11209	3.9
149.13316	0.8
158.25085	0.8
159.11665	2.0
161.13263	1.8
173.13208	2.1
177.16454	0.7
187.14822	1.5
203.17923	1.5
211.91441	0.7
231.21031	6.8
232.20541	1.5
242.62740	0.8
243.21086	8.4
248.23717	10.1
257.51752	0.7
260.23730	100.0
261.21713	1.0
261.24008	2.4
272.25894	3.6
278.08899	0.9
278.24774	9.3
502.46188	4.0
514.46210	10.0
516.47766	4.1
532.47290	21.0
532.55121	0.8
533.47369	1.0
694.52209	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	712.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44665	0.2
51.02371	0.4
53.03934	0.7
55.01871	1.2
57.03433	0.8
57.74121	0.3
58.99582	4.0
59.04979	0.3
65.03948	0.5
66.04723	0.4
67.05521	0.5
69.03445	0.3
76.02222	22.6
76.03956	0.6
77.03911	0.3
79.05485	5.7
80.04984	0.4
84.04498	6.8
85.04015	0.4
86.99070	0.8
88.02205	0.4
91.05473	4.1
93.03443	0.4
93.07025	0.8
94.04175	0.6
95.04954	1.4
97.06542	0.3
103.05461	6.3
104.06245	0.8
105.03369	0.4
105.07024	24.8
107.04939	2.4
107.08546	0.3
108.05725	1.2
109.06496	1.6
111.04395	0.5
115.05441	1.5
116.01668	6.5
117.07044	0.7
118.04150	6.0
119.04951	3.1
120.05707	1.1
121.02741	0.3
121.06489	2.4
121.67361	0.3
122.03572	0.5
122.07290	1.2
123.04475	0.6
123.08046	1.7
124.05206	1.1
125.05983	0.4
130.04985	4.0
131.04906	1.0
132.05699	1.4
133.06483	23.7
134.07300	1.4
135.02687	0.4
135.04422	2.5
135.08046	3.6
137.04309	1.5
137.05966	7.1
137.09520	0.3
142.03223	2.0
144.01129	3.6
145.06386	0.3
146.03604	1.2
147.02660	0.5
147.04372	1.0
148.05183	1.3
149.05965	2.2
150.01323	1.7
150.06755	12.9
151.07544	3.4
161.05983	2.9
162.02185	10.3
163.03899	0.3
163.07535	0.4
165.03708	3.0
165.09099	17.5
167.07042	5.9
170.02711	0.9
175.03294	0.4
175.07504	0.5
177.03253	0.7
177.05542	0.7
178.06297	1.9
179.04846	16.9
179.07004	1.6
181.08644	0.7
187.05388	0.5
193.03223	3.3
193.08594	100.0
194.09077	2.9
203.04800	0.3
209.08067	0.4
209.10410	0.9
210.11221	0.9
211.09637	57.3
212.09911	1.4
215.04845	0.6
218.09383	0.5
225.05759	1.2
231.04327	0.6
233.05890	4.5
245.05888	0.9
251.07382	1.4
258.78748	0.3
268.09760	0.4
290.07993	0.5
291.06323	0.7
308.09079	32.2
309.09308	0.6
322.12659	0.8
345.23975	0.3
371.08328	0.4
371.12704	5.5
425.13702	0.7
500.16803	0.7
507.29437	0.3
585.11761	0.3
617.83527	0.3
645.13251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88790	0.8
52.76754	0.8
53.03928	3.4
55.01867	2.5
55.05294	0.9
55.05507	9.3
57.03220	0.8
57.03437	9.3
60.31760	0.9
61.02904	2.3
65.03946	1.4
67.05502	15.2
69.03413	3.8
69.07041	3.4
70.06593	1.6
71.04980	3.7
71.64977	0.8
71.65342	1.2
79.05066	0.9
79.05496	16.1
81.03415	61.7
81.06576	1.2
81.07052	17.3
82.41944	0.9
83.04962	6.7
83.08620	16.5
84.81841	0.9
85.02912	9.2
89.60621	0.9
91.05476	20.7
93.07043	11.1
95.04967	21.5
95.08616	6.4
97.02879	4.1
97.06522	3.2
97.10149	4.8
105.07024	17.2
107.04963	5.0
107.08589	7.4
109.06491	2.8
109.10126	3.0
111.04424	2.6
111.08074	6.4
115.05464	1.2
117.06993	2.7
119.04939	0.9
119.08563	13.4
121.06493	4.6
121.10127	7.7
123.08057	2.2
125.02338	5.6
125.09606	3.2
127.03915	1.4
129.06985	8.3
131.04892	1.2
131.08534	8.1
133.06471	6.7
133.10135	6.0
135.04486	1.3
135.08060	1.6
136.06190	1.3
137.05930	1.8
137.09534	2.3
139.03876	4.4
142.07782	2.1
143.08530	2.0
145.06467	4.3
145.10104	2.5
147.04399	1.1
147.08014	3.3
147.11671	7.9
149.09631	4.8
153.01828	2.3
156.19658	1.0
157.06616	0.9
157.10132	11.3
161.05936	2.6
163.03911	2.4
163.11212	1.1
165.09071	2.0
165.12730	2.1
175.11171	9.7
184.07333	1.1
185.04453	3.5
185.13190	1.1
189.09196	1.4
189.11128	1.3
193.08557	4.7
193.12231	27.7
195.11720	1.2
211.13283	16.8
211.15201	1.4
213.12808	1.1
219.13779	1.8
223.11024	1.1
229.12007	0.9
229.14330	1.5
230.18591	0.9
233.11740	2.8
249.14919	2.2
255.13789	1.9
258.83612	1.5
267.15906	100.0
268.16248	2.5
273.14844	3.3
279.10138	3.9
280.10461	1.9
285.17007	18.2
296.12997	1.1
329.17343	1.4
341.20676	1.3
347.09644	1.0
349.21640	2.6
357.23972	1.0
367.22614	10.9
385.23694	11.4
403.24762	3.1
415.24628	1.4
433.25821	12.3
441.26163	5.0
459.27374	62.6
460.27475	2.3
477.28464	39.8
478.28790	1.5
495.29349	1.8
519.29114	1.9
710.33636	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	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01867	23.7
55.05258	2.7
55.05507	40.6
57.03434	33.9
57.07059	4.1
59.04993	4.0
59.41157	1.5
61.02919	9.2
65.03932	3.0
67.05498	54.4
68.71938	1.6
69.03416	10.7
69.07060	16.9
71.01348	1.5
71.04991	10.3
71.31854	1.5
71.32198	3.4
73.02927	7.9
79.05486	57.9
79.05955	2.9
81.03410	99.6
81.07055	45.5
82.04180	5.9
83.04973	34.1
83.08611	40.8
85.02412	2.8
85.02896	39.1
85.03406	1.9
85.06521	4.2
91.03961	2.6
91.05473	59.5
93.07037	36.4
95.04959	53.6
95.08596	20.2
97.02896	13.8
97.06528	16.4
97.10165	21.0
98.07280	5.5
99.04439	1.7
99.08056	2.5
105.04552	2.1
105.07023	35.3
107.04944	16.8
107.08589	21.2
109.06499	9.1
109.10147	16.8
111.04418	6.9
111.08080	17.1
113.05959	4.2
115.05438	3.3
116.04702	15.3
117.07003	6.7
119.08567	30.7
121.06484	5.5
121.10136	15.8
123.08038	7.7
123.11693	2.1
124.63476	1.5
125.06004	2.4
125.09624	22.3
127.11180	2.4
129.05476	40.9
129.06972	16.2
131.08560	20.5
133.06465	6.3
133.10110	20.1
135.08112	3.6
135.11664	6.5
137.09615	5.3
142.07753	4.2
143.07033	11.6
143.10696	1.7
145.10114	7.6
147.08031	6.6
147.11681	27.5
149.09598	8.9
153.09094	2.2
153.12726	2.6
155.08473	1.9
157.08575	18.7
157.10107	21.0
158.05708	1.7
161.66142	1.4
163.11191	12.8
164.11887	3.2
165.12753	5.5
171.06540	4.3
171.10088	7.6
172.10924	1.9
173.11838	3.2
175.11194	22.0
181.12279	3.5
185.08054	2.0
189.11256	8.6
191.10658	3.6
193.12231	86.2
199.09682	3.5
199.13264	16.2
200.14069	3.4
201.14832	1.8
209.11691	13.1
210.12462	1.9
211.13284	100.0
219.42149	1.8
227.12788	14.2
229.14352	4.9
237.94797	1.5
247.13339	3.0
249.14905	2.0
255.15837	3.6
267.15866	28.9
283.15353	12.8
284.15964	2.3
285.16943	69.8
301.16434	76.1
302.16397	1.7
326.08841	1.7
339.18027	3.5
367.21622	2.3
409.25519	3.1
427.27060	2.5
439.26801	12.2
459.27377	3.4
476.27667	3.0
477.28180	4.9
493.27884	16.9
494.28513	6.8
511.28992	63.4
512.28851	1.9
591.95245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.01871	3.0
58.99582	7.0
61.78191	0.7
63.54277	0.8
65.03925	3.2
67.05483	1.5
70.06582	1.5
70.56544	2.1
70.56872	0.9
75.04467	4.7
76.02224	47.4
76.04008	1.8
78.04696	2.9
79.05485	5.4
81.03387	1.1
84.04505	12.7
85.02898	2.7
86.99065	1.5
89.03908	1.5
89.06005	1.5
91.04952	1.3
91.05476	15.0
93.03397	12.6
93.07057	6.2
95.04958	5.1
97.06531	4.6
100.11273	1.2
103.05462	7.8
105.04495	1.6
105.07024	13.8
106.04169	33.1
107.04943	2.6
109.06533	1.0
111.04453	1.4
114.03749	1.3
116.01670	10.8
118.04147	1.5
119.04945	2.5
121.06506	36.9
122.07311	1.3
123.04437	1.4
123.08072	1.3
124.05190	1.6
125.05978	10.1
130.04993	9.1
131.04863	1.5
133.03035	0.8
133.06487	13.0
134.03625	5.3
135.04410	2.8
135.08017	1.0
137.04199	2.9
137.05969	7.9
138.06743	1.7
139.07509	3.0
142.03226	4.0
144.01132	7.6
145.02814	2.1
145.06084	1.0
148.05174	3.3
149.05977	57.0
150.01326	3.9
150.06767	5.1
151.07549	2.9
153.05444	1.9
153.09114	13.7
161.06018	1.4
162.02199	21.4
163.07535	2.0
165.03696	5.6
165.09108	9.1
166.06227	2.7
167.07010	2.2
170.02682	1.0
177.03242	1.5
177.05463	24.8
179.04851	41.9
181.08578	23.2
181.10188	1.3
182.15411	1.3
185.03877	0.9
191.07018	2.7
193.03224	10.4
193.08598	84.5
194.09102	2.9
203.07040	1.2
209.08086	100.0
210.08540	2.3
210.11256	3.3
210.14975	1.0
215.04832	1.7
218.09369	1.6
219.04819	1.7
219.23259	0.9
225.05792	3.5
227.07352	1.3
231.04272	2.1
233.05910	10.5
245.05978	1.8
251.07297	3.0
268.09937	2.0
276.51489	0.8
279.06754	1.0
281.11752	1.7
291.06415	1.7
296.09671	1.4
297.94644	0.9
308.09082	77.1
322.12845	1.0
362.81201	0.7
371.12671	24.8
425.13638	3.3
462.48401	0.8
476.74762	1.0
500.17007	5.2
574.59772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.2
55.01865	11.1
55.05511	36.8
57.03433	16.8
57.07061	6.0
65.03955	5.4
67.05507	100.0
69.03434	20.6
69.07073	22.8
70.56586	9.5
71.01347	3.5
71.04984	13.7
71.08619	4.0
73.02920	6.2
79.05059	4.3
79.05492	64.6
81.03424	92.3
81.06585	4.5
81.07059	93.1
82.07361	4.4
83.04548	4.2
83.04987	41.3
83.08620	28.9
85.02898	17.0
85.06521	5.4
91.05480	69.2
93.07045	62.3
95.04966	36.1
95.08599	55.6
97.02911	20.9
97.06519	9.9
97.10164	9.9
99.04451	6.4
99.08065	4.7
105.07021	51.1
106.78719	2.8
107.04976	9.4
107.08601	37.1
107.43795	3.0
109.02877	14.3
109.06522	10.0
109.10154	30.3
111.04439	20.7
111.08099	13.4
113.06020	2.7
115.05459	4.7
117.07017	20.7
119.08590	39.2
121.06523	6.5
121.10147	31.1
123.07999	3.4
123.11679	10.5
125.09676	4.3
127.03910	16.5
129.05463	12.3
129.06987	18.7
131.08554	29.9
133.06509	6.1
133.10144	23.7
135.08044	4.8
135.11722	19.2
137.05939	3.8
137.09618	4.0
142.07761	7.7
143.08554	5.6
145.10098	18.7
147.08037	8.1
147.11673	23.5
149.09616	9.1
149.13258	8.9
150.09872	3.0
151.11111	3.5
153.12746	6.8
155.08571	4.9
157.06445	3.3
157.10101	16.9
159.11713	15.9
161.13248	9.5
163.03873	4.1
163.11185	8.6
167.08493	2.9
169.10115	3.9
171.11647	5.7
173.06038	2.8
173.09592	4.5
173.13235	9.1
175.11212	10.5
181.12221	8.1
187.14850	4.9
189.12686	4.2
191.10638	12.1
193.12238	44.9
195.11687	5.8
199.03925	4.9
199.14798	2.8
211.13289	66.7
223.11072	2.9
227.12724	15.9
229.14304	6.2
243.21051	5.6
259.20459	3.6
261.22168	11.4
267.15887	10.6
277.21597	4.2
283.15497	5.2
285.17014	16.4
317.24814	4.4
324.42947	3.0
333.24429	3.2
335.25833	35.9
337.14044	3.4
337.27356	10.4
355.15552	2.8
369.24213	6.2
429.19873	5.7
435.32687	3.5
505.35696	4.3
527.37463	13.6
545.38440	34.4
546.38428	4.5
563.39594	3.4
609.44269	3.1
653.40247	6.1
671.41290	4.9
679.42383	4.5
689.41968	24.3
690.42236	4.5
707.25934	3.2
707.41846	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	708.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58683	1.9
70.06594	0.5
85.02889	0.6
91.05492	0.3
95.08569	0.2
97.06512	0.5
113.32251	0.2
165.05470	0.2
165.07010	0.3
167.73154	0.2
175.11137	0.3
177.07037	0.3
178.07767	2.5
189.06996	1.1
190.07776	0.9
191.08539	0.5
192.09390	0.3
197.65767	0.3
202.07779	0.6
203.08589	0.6
205.06512	0.6
206.07251	3.8
207.07838	0.3
208.08786	1.4
217.06488	0.3
218.07260	2.5
219.08038	0.7
220.08797	0.7
221.09612	21.7
222.09993	0.5
223.11191	2.0
230.07385	0.3
230.64040	0.2
233.06088	0.3
233.09558	1.4
234.06772	4.6
235.07481	0.8
236.08359	1.3
242.97066	0.3
246.06818	0.6
247.07611	0.4
248.08257	1.0
249.09094	16.7
250.09598	0.5
251.07033	0.3
251.10631	0.8
261.09119	0.7
262.09915	0.6
263.06885	0.5
264.07782	1.6
277.08670	0.3
278.09341	0.3
279.10153	100.0
280.10504	2.3
296.12805	33.9
296.16327	0.6
297.13080	0.8
399.10712	0.6
400.11026	0.8
669.76202	0.3
708.29718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29003	0.3
56.96576	0.3
68.68008	0.3
69.43610	3.1
81.03419	0.6
82.99894	1.2
85.02892	1.0
97.02901	0.7
98.97616	0.6
101.00866	4.0
105.09536	0.3
113.00853	1.0
116.98675	0.4
119.01922	10.9
122.01402	0.7
122.51453	0.4
127.02444	1.1
128.01422	0.5
129.00331	0.4
131.01909	5.6
131.51976	0.8
137.01897	2.6
137.02950	1.3
137.51996	0.7
143.01891	13.4
143.51961	1.0
145.03461	7.3
146.02419	0.7
147.01389	0.6
149.01886	0.6
149.02966	0.8
152.02399	2.1
152.52458	0.7
153.03999	0.4
155.01875	7.7
157.03487	3.5
158.02431	0.7
161.02959	18.3
162.03101	0.4
163.04510	1.4
164.02415	0.7
167.01859	4.7
167.03075	0.5
169.03479	1.9
171.05042	2.5
173.02963	20.7
173.52995	0.9
174.03050	0.4
175.04536	1.3
179.01787	2.0
181.01955	0.4
181.03439	0.4
182.03487	0.7
184.04460	0.8
185.02960	34.4
186.03096	0.5
187.04512	3.7
188.03462	0.9
190.02348	0.6
191.04010	0.6
194.03462	0.7
196.02322	0.4
196.04611	0.9
197.02959	12.8
199.04657	0.8
203.04013	12.9
203.54051	0.6
208.04584	0.8
209.03032	1.0
215.04031	8.0
219.01839	0.3
220.04475	0.5
221.05199	0.8
224.04591	0.9
224.54524	0.4
227.04016	8.0
232.03444	0.8
233.05132	0.7
239.04071	1.0
241.03838	0.5
243.01874	0.5
245.05077	100.0
246.05299	2.0
254.05588	0.9
254.55710	0.7
257.05081	5.1
262.04453	0.5
263.06137	14.1
275.06113	11.8
284.06693	3.7
284.56775	1.0
286.07700	1.3
287.06030	0.6
293.07239	3.9
304.55478	0.4
305.07214	9.6
313.06186	0.4
313.56348	0.6
316.09039	0.4
317.07489	0.7
329.07202	0.7
335.08307	3.8
343.74347	0.4
347.08105	1.2
364.57773	0.6
365.09308	36.7
365.59485	0.7
366.09558	0.7
383.10364	3.2
406.12338	0.4
407.10562	1.7
425.11423	29.2
426.11542	0.8
427.08768	0.4
437.11533	2.2
455.12445	1.8
485.13312	0.4
545.13483	0.8
657.35132	0.4
707.18829	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	706.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05029	0.6
57.03408	0.1
57.07046	0.2
58.06620	0.5
59.07375	0.2
60.08156	6.8
67.05482	0.3
69.03410	0.1
70.06578	0.2
70.83226	0.3
71.07365	3.5
71.08614	0.2
75.82154	0.1
77.12872	0.1
78.71939	0.1
79.05467	0.2
81.03433	0.2
81.07047	0.3
83.04972	0.1
83.08625	0.2
85.02911	0.1
85.10194	0.1
86.09694	33.5
87.04441	0.2
87.10036	0.2
91.05467	0.2
93.07050	0.2
95.08590	0.3
96.08112	0.3
98.98449	3.5
104.10732	2.6
105.07027	0.2
107.08559	0.1
109.10158	0.1
117.07023	0.1
119.08577	0.1
124.99987	24.0
126.09161	0.1
133.10114	0.1
143.01050	0.3
153.36420	0.1
154.08652	0.1
163.01715	0.1
166.02710	0.2
184.07315	100.0
185.07639	0.6
191.89447	0.1
254.63837	0.1
496.34155	0.1
557.15399	0.1
706.46454	5.9
707.47083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68305	0.7
53.03932	2.5
55.01859	3.4
55.05269	1.1
55.05510	14.1
57.03437	12.4
59.04985	1.1
61.02914	1.1
65.03925	1.6
67.05504	19.8
69.03429	4.5
69.07074	6.3
70.06582	1.1
71.04990	4.4
71.63783	1.0
73.02885	1.0
79.05490	21.1
81.03416	82.4
81.07056	21.5
83.04987	9.2
83.08617	23.8
85.02431	1.2
85.02905	15.1
85.06545	2.1
91.05480	26.1
93.07044	14.8
95.04967	25.9
95.08607	8.5
97.02899	5.3
97.06509	6.9
97.10172	6.0
99.04472	1.3
99.08051	1.3
103.05453	1.8
105.07024	19.4
107.04954	10.3
107.08595	8.3
109.06545	5.0
109.10160	4.6
111.04436	2.8
111.08070	8.9
113.05995	2.1
115.05461	1.8
117.07010	3.9
119.04939	1.6
119.08582	17.6
121.06518	5.1
121.10139	8.4
123.04434	1.0
123.08069	3.5
123.11697	1.4
125.05988	0.9
125.09602	4.3
127.03896	0.8
128.06209	0.9
129.07018	11.1
131.04877	1.7
131.08580	11.4
133.06451	4.7
133.10120	9.3
135.04402	0.8
135.08084	1.4
135.11722	2.0
137.06001	2.3
137.09602	1.5
139.03960	0.7
141.06996	1.1
142.07751	2.3
143.08589	1.5
145.06433	3.8
145.10063	3.9
147.04381	1.6
147.08072	4.6
147.11693	12.3
149.09595	7.3
155.08545	1.7
157.06537	1.3
157.08931	1.5
157.10123	12.5
159.08041	1.4
161.06001	1.2
161.09627	0.9
163.03964	7.0
163.11189	4.2
165.09122	1.3
165.12759	1.8
167.08504	0.8
169.06462	1.0
169.10130	0.9
171.08009	1.9
171.11726	0.9
173.09612	1.8
175.11176	11.1
183.08057	0.9
184.07127	0.9
185.09547	1.0
185.13258	1.3
187.11121	1.2
189.09242	1.0
189.11185	1.8
189.12724	0.9
191.10669	0.9
193.08629	3.0
193.12248	34.0
209.11671	1.5
211.09660	2.5
211.11316	1.6
211.13281	19.8
213.12630	1.2
215.14359	0.9
225.12772	0.9
227.12834	2.8
229.14352	1.3
233.15472	1.0
249.14821	2.2
255.13824	2.1
259.09631	1.1
267.15912	100.0
268.16364	1.8
273.14783	5.2
283.15305	5.2
285.16953	18.9
287.16467	1.1
299.14902	2.3
301.16666	1.9
303.05130	0.9
323.19034	0.8
325.08896	0.9
339.23349	1.6
341.21158	1.9
349.21609	3.9
367.22650	10.1
369.31955	0.7
385.23718	12.7
386.24167	0.9
403.24774	2.9
405.24054	1.1
413.12341	2.2
433.25833	12.7
441.26248	5.5
459.27429	67.2
460.27719	1.4
477.28488	44.0
478.28824	1.3
491.26059	4.0
495.12738	1.3
509.27084	5.5
585.30524	1.4
660.15326	0.9
698.48468	0.9
717.65399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01866	5.8
55.05506	16.8
57.03435	12.0
57.92803	1.3
59.04968	2.0
59.56366	1.5
61.02933	2.1
65.03923	1.8
67.05170	2.5
67.05504	41.6
69.03427	5.6
69.07064	11.3
69.49440	4.0
69.49868	11.1
70.06592	2.0
71.01313	2.3
71.04988	4.8
73.02895	1.5
79.05063	1.8
79.05495	29.8
81.03417	51.4
81.07058	32.0
83.01317	1.5
83.04985	17.6
83.08609	17.4
85.02902	10.5
85.06538	2.6
91.05476	41.2
93.07040	25.8
95.04969	22.1
95.08600	12.0
97.02913	7.7
97.06516	10.1
97.10177	5.7
105.07029	26.4
107.04952	13.3
107.08601	10.1
109.02882	1.7
109.06536	4.4
109.10140	14.6
111.04463	3.1
111.08088	5.4
115.05415	2.0
117.06992	4.5
119.08591	15.4
121.06499	3.4
121.10135	5.7
123.08053	5.7
125.09626	5.9
127.07567	1.8
128.06166	1.9
129.05521	1.7
129.07007	12.2
131.04924	3.7
131.08557	14.9
133.06519	2.5
133.10126	22.5
135.08034	1.8
135.11699	5.5
137.09592	2.2
142.07813	1.7
145.10106	9.0
146.93881	1.3
147.04382	1.9
147.08089	2.2
147.11687	10.7
149.09645	3.7
151.11197	1.8
153.12700	1.6
155.65520	1.5
157.10112	12.2
163.03923	5.3
163.11182	11.2
169.10196	2.1
171.08075	1.6
173.09532	2.5
173.11728	2.6
175.11145	11.8
181.12224	1.7
191.10703	2.0
193.12251	19.0
209.11636	7.3
211.13139	2.1
213.08945	1.6
215.07033	2.9
227.12799	4.8
229.14305	10.0
249.14833	2.5
259.09576	3.5
267.15903	83.1
268.16162	2.1
283.15417	22.5
301.16458	3.4
407.24200	2.0
437.25180	6.9
459.27402	100.0
460.27664	3.3
477.28558	2.6
491.26401	3.8
501.28381	1.8
509.27612	21.3
527.28619	8.9
706.27301	2.8
707.27008	2.5
707.38269	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	706.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
55.01867	18.0
55.05508	25.3
57.03436	19.3
57.07069	2.9
59.04987	3.3
61.02916	7.6
65.03938	1.4
65.74252	1.4
66.63949	1.4
67.05180	2.6
67.05505	32.5
67.41798	1.3
68.80929	1.3
69.03427	6.5
69.07063	9.7
70.06584	1.4
71.01346	1.3
71.04974	5.0
72.48284	1.2
73.02915	3.9
75.20000	1.3
77.03946	2.3
79.05060	2.1
79.05492	30.3
81.03415	27.8
81.06583	1.6
81.07049	24.1
82.04186	4.7
83.01324	8.7
83.04978	22.3
83.08614	17.5
85.02895	14.0
91.03945	3.0
91.05477	22.3
93.06110	1.4
93.07037	30.9
95.04973	18.9
95.08600	12.8
97.02901	11.0
97.06516	11.1
97.10163	13.7
98.07299	7.1
98.20740	3.6
99.04438	4.7
103.05462	2.6
105.07020	16.5
107.04948	13.1
107.08594	20.3
109.06509	8.8
109.10153	9.9
111.04418	5.1
111.08066	5.5
116.04709	11.7
117.07025	10.1
119.08570	13.5
121.06508	4.2
121.10130	12.5
123.08073	12.7
125.06020	2.9
125.09627	15.5
128.06218	1.8
128.93733	1.3
129.04494	1.7
129.05470	25.5
129.06992	5.2
130.07704	1.4
131.08540	8.1
133.06470	2.1
133.10104	6.3
135.08023	3.8
135.11691	17.3
136.08795	2.2
137.09605	4.3
139.07506	2.4
143.07014	5.2
145.10112	20.4
147.08049	3.1
147.11650	3.1
149.06102	1.4
149.09608	3.0
153.12704	4.8
155.08568	2.3
155.44066	1.4
157.08577	10.7
157.10091	4.2
161.09634	1.5
163.03909	1.7
163.11182	31.4
164.11850	1.6
171.06502	1.7
171.10201	3.3
173.09583	4.6
173.11742	2.7
175.11156	2.4
181.12251	6.8
184.07271	2.0
189.11255	7.6
191.10654	5.3
193.12242	3.3
199.13272	6.4
200.14053	3.0
201.14830	1.9
209.11722	13.9
210.12453	2.7
211.13080	1.6
227.12767	19.1
229.14348	3.3
265.14310	1.5
267.15884	8.4
283.15390	100.0
284.15857	4.6
301.16446	83.6
303.29538	1.3
303.33878	1.4
337.16434	2.7
353.16980	1.6
437.25183	8.2
457.25928	2.5
473.28955	2.2
474.26239	2.5
475.27029	8.8
491.26205	4.0
492.27115	6.1
509.27463	92.7
510.27844	5.4
721.03912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03934	3.8
55.01868	5.1
55.05262	1.2
55.05512	17.2
57.03436	7.6
57.07060	1.2
61.02930	13.2
65.03943	1.8
67.05505	30.4
69.03431	12.7
69.06759	1.1
69.07068	10.4
71.01372	1.0
71.04996	4.4
71.25433	2.0
72.52980	0.8
73.02922	6.4
74.28184	0.8
79.05494	26.8
81.03419	25.5
81.07058	30.4
83.04987	8.7
83.08620	13.4
85.02905	12.5
85.06532	2.3
86.09700	1.1
89.61176	0.9
91.03969	5.4
91.05479	21.8
93.07044	23.9
95.04412	1.7
95.04964	11.3
95.08604	19.5
97.02899	12.7
97.06516	5.4
97.10178	11.6
99.04464	2.9
99.08044	1.3
103.05450	1.5
105.07030	22.7
107.04968	4.3
107.08598	14.0
109.02882	3.5
109.06503	4.3
109.10155	11.9
111.04439	3.4
111.08072	4.2
115.05452	3.2
117.07023	13.3
118.32495	0.9
119.08584	18.1
121.06493	4.2
121.10149	8.1
123.08057	3.8
123.11715	3.3
125.09631	7.4
127.03915	3.7
128.06224	2.6
129.05505	1.8
129.07005	12.7
131.04950	1.5
131.08572	18.1
133.06491	2.2
133.10127	12.7
135.08008	4.5
135.11713	5.3
137.09605	1.9
141.06949	2.8
142.07748	2.7
143.08568	11.2
144.09306	1.1
145.06487	4.0
145.10135	15.5
147.08035	3.2
147.11678	8.8
149.09608	4.2
149.13202	2.3
151.11148	0.9
153.06969	0.9
153.09090	1.0
153.12752	1.5
155.08566	7.1
157.10114	12.1
159.08032	3.4
159.11693	9.5
161.05962	1.0
161.09613	2.3
161.13258	3.2
163.03929	1.7
163.11180	4.8
165.06961	1.0
165.12766	1.3
167.08549	3.9
168.09311	1.1
169.10101	7.7
171.08081	2.3
171.11658	7.9
173.09666	3.3
173.11835	1.5
173.13231	5.6
175.11183	2.5
175.14830	2.1
179.08556	2.1
180.09280	1.0
181.10120	4.0
181.12163	1.2
183.11700	6.7
184.07242	1.6
185.09673	2.4
185.13271	5.4
187.11221	3.3
187.14828	3.1
189.11214	1.7
189.12712	1.4
191.10689	1.4
193.10464	1.5
193.12201	7.1
195.08099	0.9
195.11722	4.3
197.09479	1.2
197.13249	5.2
199.11148	2.1
199.14816	4.0
201.05304	0.9
201.12784	2.5
203.14377	1.0
207.11624	2.7
207.13651	1.3
209.09729	1.1
209.13275	3.0
211.13257	4.7
211.14972	2.2
213.12689	2.5
213.16510	1.6
219.11668	0.9
221.13231	1.6
223.14796	1.7
225.12805	1.2
225.16202	1.0
227.12666	5.1
229.14229	1.6
241.15904	1.3
241.19554	3.1
257.19113	2.1
259.20618	5.5
261.21976	1.1
267.15915	4.5
275.20117	2.2
279.10196	2.6
281.22717	1.4
283.20541	2.3
287.20108	1.1
296.52658	1.1
297.22058	1.8
299.20657	1.2
299.23642	6.6
311.23389	1.4
315.22980	1.2
325.21677	0.9
329.21069	2.4
333.24414	2.1
339.23297	1.3
343.22644	1.6
353.24496	1.5
357.24161	1.2
367.22659	1.6
385.23764	1.2
403.24646	1.4
415.30051	1.7
417.26062	1.5
421.25998	4.7
423.32297	1.7
429.21048	1.8
433.30957	4.7
435.27295	2.5
451.32245	7.4
459.27249	1.8
469.32837	2.6
507.34479	2.3
525.35718	19.8
541.34705	1.3
543.36823	100.0
544.22961	1.1
544.37073	2.9
585.37317	3.1
613.35742	1.1
633.37537	2.6
651.38324	4.0
669.39612	3.2
687.40747	7.0
705.41724	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	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.40506	0.9
55.01860	5.1
55.05505	20.1
57.03429	6.3
57.07051	1.0
59.05000	2.1
61.02921	12.9
65.03943	2.2
67.05499	27.2
68.05830	1.1
69.03419	10.1
69.07059	8.7
71.01336	1.6
71.04021	3.0
71.04990	3.3
73.02911	6.3
79.05487	23.7
81.03410	12.4
81.07048	27.4
81.07512	1.9
82.03757	0.9
83.01348	1.1
83.04965	5.0
83.08606	9.5
85.02898	13.7
85.06526	1.4
91.03957	6.1
91.05470	20.9
91.23267	1.0
93.07031	21.7
95.04955	8.8
95.08596	17.8
97.02878	10.2
97.06537	4.7
97.10161	10.4
99.04430	1.7
99.08070	1.8
101.02350	1.6
103.05476	1.1
105.07017	19.4
107.04963	4.5
107.08593	12.7
109.02868	2.7
109.06509	4.1
109.10151	9.9
111.04466	2.2
111.08056	2.8
115.03943	1.1
115.05451	2.0
117.07001	15.2
119.05009	1.1
119.07754	1.6
119.08564	16.4
121.06499	5.6
121.10133	7.2
123.04427	1.1
123.08056	3.7
123.11695	3.6
125.09587	7.3
127.03918	4.3
128.06226	3.4
129.06989	10.5
130.07913	1.0
131.04929	1.1
131.08534	18.4
133.06488	2.4
133.10120	9.2
135.08051	4.2
135.11717	4.5
137.09616	2.5
141.06985	3.9
142.07768	2.5
143.08556	9.0
145.04997	0.9
145.06487	2.8
145.10106	15.0
147.08034	2.9
147.11670	5.9
149.09619	4.0
149.13251	1.4
153.09042	1.3
154.07755	1.2
155.08502	5.9
157.10115	11.3
158.07246	1.2
159.07990	2.8
159.11655	10.8
161.09599	2.7
161.13319	2.6
163.04044	1.0
163.06250	0.9
163.11212	3.1
165.06839	1.2
167.08574	3.0
169.10158	7.2
171.08105	2.9
171.11647	9.2
173.05785	1.1
173.09624	3.6
173.11838	1.2
173.13284	5.3
175.11183	2.7
175.14758	1.4
177.12949	1.3
181.10173	4.0
181.12117	1.1
183.11639	7.2
184.07320	2.0
185.09639	2.2
185.13214	5.0
187.11223	2.1
187.14828	3.0
189.11157	4.4
193.12260	2.8
195.11613	5.0
197.13249	4.1
199.11324	1.3
199.14798	3.7
203.14323	1.4
207.11630	1.7
209.09691	1.0
209.13264	3.0
211.11230	1.4
211.13130	1.3
211.14896	1.9
213.12718	1.5
213.16435	1.6
215.14395	1.9
221.09610	3.3
221.13208	1.0
223.14835	1.8
225.12677	1.3
225.16359	1.1
227.12601	6.3
234.06758	1.4
241.19542	1.4
249.09138	3.2
259.20569	2.7
265.19519	1.7
267.15839	1.9
275.20151	3.0
279.10120	17.4
283.20569	2.4
297.18634	1.2
297.22040	1.5
299.23639	6.6
301.21750	2.0
311.20065	1.6
313.21594	2.1
339.23111	2.1
343.22714	1.4
357.24133	1.5
403.25000	2.0
415.30017	1.7
417.26367	1.6
421.25653	4.4
433.30832	5.7
435.27478	5.5
451.32080	7.5
469.33023	3.8
507.34778	1.7
525.35730	24.8
541.35211	1.3
543.36749	100.0
544.23358	5.2
544.36798	4.7
567.36749	1.7
585.37903	2.7
651.38855	1.5
669.39856	3.0
687.40088	3.9
705.41815	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	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26286	0.1
55.05492	0.1
55.71059	0.1
56.05027	0.8
57.07066	0.1
58.06616	0.5
58.72223	0.1
59.07120	0.1
59.07391	0.2
60.08159	7.3
67.05495	0.3
69.07074	0.1
69.41087	0.1
69.41382	0.9
70.06580	0.2
71.07368	3.6
79.05458	0.1
81.07036	0.2
83.08606	0.1
86.09698	34.7
86.55956	0.1
87.10004	0.3
91.05489	0.1
93.07020	0.1
95.08596	0.2
97.10230	0.1
98.20773	0.2
98.98450	3.6
104.10030	0.1
104.10735	2.5
105.07057	0.1
109.10138	0.1
116.99465	0.1
121.40202	0.1
124.99994	22.6
143.01036	0.4
166.02640	0.2
170.49097	0.1
184.07324	100.0
185.07672	0.5
253.14333	0.1
397.22452	0.1
404.25922	0.1
448.20819	0.1
522.77991	0.1
704.44904	4.5
705.45349	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	704.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05037	0.7
57.07074	0.3
58.06616	0.4
60.08162	6.4
62.67471	0.1
67.05489	0.4
70.06586	0.2
71.07375	3.3
71.08625	0.2
71.63464	0.2
79.05489	0.3
81.07056	0.3
83.08603	0.2
86.09702	33.3
87.10048	0.3
88.09269	0.1
89.06023	0.2
91.05466	0.3
93.07020	0.2
95.08598	0.3
98.98457	3.0
101.52936	0.1
101.57045	0.1
104.10744	3.2
107.08557	0.2
125.00001	20.6
131.20930	0.1
135.11665	0.3
143.01073	0.4
163.11188	0.3
166.02641	0.2
184.07336	100.0
185.07707	0.5
317.01208	0.1
417.55139	0.1
448.20651	0.2
496.33688	0.2
547.99268	0.2
704.44934	11.0
705.45410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1851
Annotation	Diinsinin
Peak:m/z	Relative Intensity
50.26041	0.2
51.36921	0.3
60.16758	0.3
71.60825	0.4
71.61253	0.6
71.77444	0.3
72.18658	0.3
73.95399	0.3
97.82245	0.3
98.97573	0.6
112.89600	0.4
116.98640	0.3
128.98657	0.3
136.94002	0.3
177.00771	0.7
189.00844	0.5
195.01819	0.4
201.00786	0.5
219.01823	0.8
231.07724	1.1
245.05249	0.7
249.08865	0.5
267.00287	0.3
273.00415	0.3
279.03696	0.4
281.57266	0.3
290.59088	0.3
297.64221	0.3
307.02432	0.4
354.01047	0.3
381.07281	0.4
423.08179	2.9
439.73666	0.4
525.12085	1.3
543.13245	24.8
544.13440	0.6
555.10034	0.4
555.18207	0.7
705.18488	100.0
706.18903	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01863	2.8
55.05516	14.0
57.03435	4.7
57.07072	1.2
59.04992	0.9
60.17515	0.9
61.02928	11.6
63.14074	0.9
65.03934	1.3
67.05505	24.1
68.33775	0.8
69.03429	8.2
69.07063	7.5
71.00994	1.6
71.01318	0.9
71.04993	3.1
73.02918	5.2
75.63869	0.8
79.05493	18.6
81.03417	17.1
81.07062	18.9
83.04986	6.1
83.08617	7.1
85.02908	12.0
85.06553	2.3
91.03947	5.0
91.05484	16.2
91.21371	0.8
93.06481	1.1
93.07048	15.2
95.04963	7.4
95.08607	11.3
97.02897	12.3
97.06522	3.3
97.10172	6.8
99.04430	1.8
101.02347	1.5
103.05444	0.9
105.07037	16.6
107.04949	3.5
107.08611	9.2
109.02879	2.4
109.06516	2.7
109.10167	8.1
109.20923	0.8
111.04437	2.2
111.08079	3.0
115.05447	1.9
117.07034	9.5
119.04929	1.0
119.08576	13.1
121.06504	3.0
121.10175	5.2
123.08093	2.3
123.11716	2.1
125.09628	7.3
127.03934	3.7
128.06245	1.9
129.07010	8.5
131.08572	15.0
133.06438	1.3
133.10123	10.8
135.08047	4.3
135.11693	3.6
137.09622	1.3
141.07048	2.2
142.07773	3.4
143.08553	8.0
144.09360	1.4
145.06450	2.7
145.10132	11.6
147.08015	1.7
147.11707	6.5
149.09618	3.0
149.13264	2.6
151.11127	0.8
153.06966	1.1
153.12759	1.3
154.07758	1.0
155.08600	4.8
156.09331	0.8
157.06427	1.0
157.10161	9.5
159.08080	2.9
159.11716	8.5
161.09637	1.8
161.13286	2.8
163.11208	2.8
167.07147	1.5
167.08476	2.1
169.10130	6.1
171.08058	1.6
171.11647	6.8
173.09651	2.4
173.11931	1.2
173.13239	5.2
175.11258	2.1
175.14886	2.0
177.12735	1.5
181.05014	1.6
181.10147	4.5
183.11739	4.6
185.09586	1.2
185.13240	4.7
187.11176	1.7
187.14842	2.4
189.11237	3.0
189.12782	1.3
191.10646	1.2
193.10341	1.3
193.12245	3.9
195.08128	1.2
195.11702	2.4
197.13272	3.3
199.11194	1.3
199.14873	2.4
205.08524	1.4
207.11794	1.5
209.09628	1.1
209.13251	2.8
211.13275	4.7
211.14999	1.8
213.12807	1.0
219.11702	0.9
221.09593	2.3
221.13286	1.9
223.11127	1.2
223.14857	2.0
225.12933	1.1
225.16359	1.0
227.12708	4.7
229.08369	0.8
229.14250	1.5
237.16429	1.3
239.18115	0.9
241.19559	2.4
249.09113	1.2
259.20596	3.7
265.19839	1.0
267.15924	1.9
275.20343	1.1
277.08688	0.9
277.21872	0.9
279.10205	6.5
283.20490	1.7
285.17001	2.6
297.22226	1.9
299.20563	0.9
299.23752	4.6
301.21735	1.6
315.23233	1.3
323.23862	1.5
325.21664	1.0
333.24170	2.9
339.23260	1.9
367.22992	1.4
389.15219	1.0
421.25735	2.1
423.32458	1.6
429.21191	1.4
433.30930	4.0
435.27087	2.5
451.32034	9.1
469.33023	3.1
507.34409	1.2
515.36920	1.3
525.35748	16.3
541.34943	2.0
543.36829	100.0
544.23450	1.3
544.36914	3.2
567.36407	1.6
585.37543	2.5
651.38647	2.5
669.39673	3.4
685.07965	1.2
687.40637	5.2
705.32013	1.7
705.42151	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	703.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01862	6.1
55.05506	21.7
56.56450	1.1
57.03432	9.0
61.02922	11.5
65.03931	3.1
67.05500	41.1
69.03419	14.2
69.07054	13.5
71.05010	6.6
71.64856	2.3
73.02900	4.7
75.04476	1.8
75.17185	1.2
79.05488	28.7
81.03409	31.4
81.07053	37.3
83.04977	8.8
83.08619	10.3
85.02898	15.2
85.06551	2.8
91.03938	3.2
91.05477	31.7
92.05816	1.7
93.07040	27.5
95.04970	14.7
95.08605	18.3
97.02891	15.4
97.06515	5.8
97.10159	14.9
99.04465	3.6
99.08077	1.6
100.15392	1.4
101.02430	1.3
105.07020	25.5
107.04941	5.6
107.08588	16.7
109.02868	7.4
109.06492	11.7
109.10147	15.6
110.10464	1.6
111.04440	5.0
111.08078	4.6
113.05997	4.1
115.05457	3.0
117.07011	14.4
119.08566	22.3
121.06514	4.1
121.10112	6.8
123.04396	2.3
123.08063	5.2
125.09624	10.9
127.03919	6.5
128.06213	4.5
129.07019	12.2
130.07770	1.6
131.08557	19.3
133.06464	3.8
133.10127	16.6
135.08028	7.8
135.11684	7.0
137.09657	1.9
139.11124	1.2
141.06978	4.1
142.07697	3.0
143.08545	15.8
145.06523	2.5
145.10109	14.7
147.08029	4.1
147.11678	9.2
149.09593	4.5
149.13242	2.6
151.07478	1.4
151.11154	1.4
153.06995	2.2
153.12735	2.0
154.07854	1.4
155.07356	1.8
155.08507	8.8
156.09256	2.0
157.10100	15.8
159.07942	2.9
159.11670	10.8
161.09573	3.2
161.13246	4.0
163.11211	4.7
164.24696	1.3
167.08606	4.4
169.06430	1.3
169.10106	10.1
171.08064	3.0
171.11691	10.7
173.04434	11.0
173.09615	3.7
173.11807	2.6
173.13243	4.6
175.11279	1.7
175.14772	1.8
176.58832	1.4
177.12735	2.8
179.08530	2.3
181.10069	6.6
181.12292	1.5
183.08078	1.7
183.11731	6.0
184.07256	1.6
185.09618	3.0
185.13255	7.1
187.11249	2.8
187.14798	1.9
189.11165	5.0
189.12692	2.0
189.16307	1.5
193.10069	2.6
193.12234	3.5
194.84099	1.4
195.11694	5.5
195.13452	1.3
197.09644	2.3
197.13268	5.3
197.97971	1.2
199.11157	4.2
199.14804	4.6
207.11691	3.1
207.89792	1.2
209.13235	3.4
211.11214	3.1
211.14870	3.6
213.12852	2.2
213.16319	1.7
217.15808	3.0
223.14821	2.3
227.12759	7.9
229.14381	4.9
230.14714	2.2
233.13271	1.7
237.16423	1.9
241.19635	2.3
255.17502	1.6
257.19043	1.9
259.20602	5.4
260.20969	1.8
269.17477	1.6
273.18402	5.2
275.20038	5.6
279.21002	1.5
283.15253	1.4
291.19391	13.5
295.20642	1.3
297.22159	7.2
313.21478	1.7
315.22949	1.8
325.21564	1.7
334.24582	2.1
339.23193	1.7
347.22308	1.6
351.23331	1.5
387.02701	1.3
403.24567	1.3
431.29294	2.6
449.30725	7.7
467.31491	5.2
513.35669	2.0
523.34247	12.8
541.35248	100.0
542.35828	4.7
559.36462	7.4
565.34882	1.6
583.35889	2.5
643.20032	1.4
649.36816	3.6
667.38025	4.9
685.39307	9.6
696.31891	1.3
703.40424	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
58.06618	0.5
59.98042	0.1
60.08165	6.9
67.05487	0.3
69.07034	0.1
69.31586	1.4
69.31989	0.4
71.07372	3.6
72.45473	0.1
75.76047	0.1
79.05487	0.2
81.07030	0.3
86.09706	34.6
87.10040	0.4
93.07065	0.2
95.08595	0.2
98.98467	3.4
104.10741	3.3
116.99490	0.2
125.00005	22.8
128.41553	0.1
136.06209	0.2
143.01030	0.5
166.02725	0.4
184.07341	100.0
185.07713	0.9
187.00458	0.1
187.61237	0.1
207.71478	0.2
299.23523	0.2
300.56439	0.2
365.99667	0.2
702.32727	0.6
702.46942	6.2
703.32349	0.2
703.46515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20330	0.5
53.03960	0.5
55.01893	0.6
55.05508	2.0
57.03426	0.6
66.76408	0.5
67.05505	3.9
69.03424	1.5
69.07074	1.6
71.04990	0.6
71.64418	0.7
79.05493	2.9
81.03413	2.0
81.07058	3.9
83.04985	0.5
83.08615	0.8
83.86378	0.5
86.09752	0.5
91.05495	2.2
93.07055	2.9
95.04958	0.7
95.08610	1.8
97.02921	0.9
97.06541	0.6
97.10149	0.8
105.07049	2.0
107.04986	0.6
107.08606	1.7
109.06548	0.5
109.10161	1.6
110.63420	0.5
111.04429	0.5
117.07002	0.8
118.06530	0.5
119.08602	1.4
120.08047	0.5
121.10169	0.6
122.09691	0.5
129.07033	0.9
131.08626	1.0
133.10152	1.7
135.11746	0.8
143.08557	0.9
145.10129	0.9
147.11717	0.9
149.13283	0.6
157.10159	0.6
159.11638	0.7
163.11177	0.5
168.08054	0.6
172.07600	0.6
179.14366	1.0
181.08865	0.6
183.09200	0.7
184.07376	1.5
195.09187	1.3
196.09967	1.2
197.07118	0.7
207.09186	0.7
208.09952	0.9
209.10669	7.4
210.11378	0.9
211.08751	1.0
211.12489	0.6
212.13113	0.5
221.10857	1.8
222.11609	2.6
223.08882	0.9
223.12228	5.8
223.14078	0.5
224.09576	0.6
224.13123	4.6
225.06697	1.5
225.13797	3.5
227.08218	1.2
235.08705	1.6
235.12477	1.7
236.13120	1.2
237.10370	2.4
237.13852	13.8
237.16187	0.9
238.14597	6.4
239.08214	3.7
239.15462	1.1
241.10036	0.9
249.10306	0.6
250.11006	1.2
251.11891	1.9
252.12531	1.3
253.09804	1.0
253.13400	2.0
257.09351	0.6
261.71790	0.5
263.08234	1.6
264.12485	0.6
265.13342	7.7
266.14093	2.9
267.07608	4.6
267.15244	1.1
269.09204	0.9
271.10922	0.5
275.20111	0.7
281.09210	3.1
285.08746	0.8
291.19583	0.7
292.34567	0.5
295.10751	0.6
297.12497	1.6
299.10217	3.6
299.15137	0.7
309.08667	0.7
312.14807	1.0
313.12003	1.7
323.14389	0.6
325.15482	3.8
326.16504	0.6
341.11362	7.6
351.44183	0.5
365.10675	1.1
392.16550	0.8
405.17441	1.0
406.18018	0.7
407.19095	0.6
420.15802	0.7
421.16092	0.9
421.20847	0.8
432.16779	0.7
433.16641	1.2
434.17599	1.4
435.18372	2.0
445.16608	1.0
447.13812	0.6
449.20303	0.9
458.17191	0.6
459.18033	0.8
461.16605	0.6
463.21939	0.9
464.22177	0.5
474.17572	0.5
475.17636	0.8
476.18600	1.2
477.19391	2.0
478.20419	1.0
479.20651	0.7
480.22781	0.5
491.21417	2.3
493.22708	0.8
505.18973	0.5
507.20258	1.1
508.21323	0.9
519.20227	0.9
522.23004	1.0
523.23755	2.9
532.21643	0.8
533.21918	1.7
536.20288	0.6
537.24451	1.0
538.24774	0.6
541.33545	6.9
549.24829	1.0
550.22485	1.8
551.23138	3.9
564.80090	0.6
565.24591	3.6
566.25140	4.8
575.23145	0.9
576.21338	0.5
578.22546	0.6
593.23865	11.2
605.42554	0.6
611.25153	4.4
621.23425	2.1
625.24561	3.0
635.25470	2.6
653.26031	100.0
654.26483	2.8
685.28705	10.1
685.39417	1.2
703.38812	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	703.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	1.5
78.02452	0.7
79.05476	0.9
81.07054	1.0
91.05463	1.0
93.06973	0.6
95.39619	0.8
98.21473	1.8
114.91476	0.8
119.08595	0.7
120.08062	0.7
184.07393	2.0
230.01357	0.7
313.22903	0.6
427.18851	0.7
439.15341	1.0
441.21167	1.2
442.21664	1.2
444.19211	1.0
445.20343	1.5
454.17911	2.0
455.18433	2.3
455.23315	0.8
456.23911	0.8
457.24448	1.0
459.21848	7.0
460.22546	2.1
468.18863	1.2
469.19739	5.6
470.20947	4.3
471.21463	1.2
482.21085	1.1
483.21729	18.0
484.22589	12.9
485.23428	5.6
497.23563	1.8
498.24191	0.8
499.25092	1.0
513.26947	0.9
519.23920	0.8
527.24280	1.3
528.25067	0.8
531.23541	0.7
543.23798	2.5
547.26801	2.6
570.25842	3.1
571.26959	4.1
585.28912	1.4
587.27332	0.9
599.26782	1.2
606.28149	3.6
630.28217	10.4
631.29254	4.0
643.32935	3.4
645.30518	1.4
659.31726	0.8
703.34833	100.0
704.35321	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
59.24327	0.3
67.05499	1.0
71.04978	0.3
71.63923	0.3
79.05495	0.8
81.03416	0.5
81.07053	0.7
85.02895	0.3
88.71782	0.2
91.05491	0.7
93.07013	0.3
93.71756	0.3
95.08617	0.4
96.82720	0.2
105.07043	0.5
107.08596	0.5
109.10176	0.3
131.08511	0.3
151.06136	0.3
161.05984	0.3
167.03912	0.3
185.04303	0.6
259.08112	0.4
301.20255	0.9
319.21210	0.3
347.09375	1.4
513.54041	0.3
537.30359	16.6
538.30591	0.7
617.20502	0.4
667.24323	0.3
699.35602	100.0
700.36072	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	702.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	0.5
57.03420	0.7
57.58251	0.3
61.02924	0.5
65.03940	0.5
67.05518	0.4
69.03432	1.1
70.06581	0.6
70.78822	0.9
70.79182	0.6
73.02913	0.4
79.05490	2.8
81.03421	3.8
85.02893	2.6
87.04449	0.4
91.05479	4.3
92.06289	0.4
93.07048	2.4
95.04968	2.0
97.02878	1.2
103.05457	7.1
105.03409	0.4
105.07028	9.1
105.07682	0.7
107.04953	37.4
107.08571	0.5
109.02857	0.5
109.06554	0.5
115.05454	2.1
117.07014	1.0
118.04148	0.8
119.03537	0.7
119.04938	1.4
120.05693	1.1
121.06503	4.1
121.10143	0.4
122.03698	0.3
123.04414	3.7
124.05264	0.5
127.03925	0.6
131.04938	3.5
133.06491	8.0
135.04419	0.5
135.08051	13.2
136.06181	100.0
137.04578	1.6
137.05811	2.2
143.06009	0.5
145.06508	0.4
145.07562	0.8
147.04390	1.2
149.05978	7.9
150.06738	1.3
151.03903	0.7
151.07581	1.8
152.04665	0.8
153.05478	0.7
154.06187	1.3
161.05978	7.9
163.03893	1.0
163.07539	48.0
164.07935	0.5
165.09132	2.4
166.06305	0.9
167.07036	39.2
168.07809	3.8
177.05446	1.3
179.07014	5.9
180.07779	1.2
181.08586	9.0
191.07028	0.5
193.08611	26.9
194.07481	0.5
194.09380	24.3
195.10164	53.5
196.10448	0.9
197.11864	0.4
207.06433	0.5
209.08102	0.9
211.09653	15.7
212.10429	10.8
213.11171	1.6
223.09650	0.9
228.10074	0.7
244.09789	0.6
269.10388	0.6
281.11694	0.7
291.12360	1.8
303.99826	0.4
329.14764	0.6
331.15439	0.5
374.11938	0.4
374.15665	11.1
448.88974	0.4
464.46213	0.4
480.87656	0.4
702.27594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58288	0.4
53.03924	0.4
55.01855	0.5
55.05497	1.2
56.21051	0.4
57.07068	8.4
58.06604	2.3
65.03931	5.4
67.05482	1.2
69.03409	0.6
69.07056	0.7
70.06586	24.3
71.08621	3.2
71.64282	0.6
72.08138	1.7
74.09685	0.5
78.49226	0.4
79.05477	1.1
81.03426	0.9
81.07040	1.5
83.08601	0.8
84.08121	0.9
85.10172	1.1
86.09698	1.5
88.07626	23.4
91.05461	1.3
93.07027	1.0
95.04961	1.0
95.08582	1.2
98.39252	0.4
102.09174	16.8
105.03391	0.5
105.07014	1.1
107.08633	0.6
109.10132	0.5
117.07000	0.7
119.08560	1.0
121.02856	2.0
131.04907	0.5
131.08549	0.4
132.10229	2.3
137.05980	0.6
139.03894	2.6
143.08522	0.5
145.10124	0.5
146.11760	2.2
147.04430	0.5
149.02338	72.5
149.03413	6.0
150.02650	1.5
158.67270	0.4
175.03883	2.3
177.05453	0.7
180.04135	0.5
184.07405	0.5
193.04950	37.5
194.05269	0.9
212.23683	0.8
219.06615	1.4
221.23915	0.4
225.05470	0.8
237.07549	5.6
256.26331	53.6
257.26605	2.0
263.09158	0.9
297.04001	1.7
300.28925	8.6
302.01993	0.4
313.07108	1.8
320.25870	0.5
341.06564	5.9
348.22653	0.4
359.07465	2.7
362.22058	0.5
385.09155	12.0
386.09680	0.5
387.11044	1.0
403.10193	12.4
429.11786	23.4
430.12064	1.0
473.14389	15.9
473.20914	0.9
474.14740	0.8
541.61255	0.5
561.37994	0.6
640.34894	1.6
684.37329	1.3
702.38348	100.0
703.38831	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01874	0.3
55.05501	0.9
57.03430	1.8
61.02922	3.6
67.05496	1.8
69.03436	2.6
69.07066	0.8
70.06590	0.6
71.01371	0.4
71.04985	0.8
71.65503	0.6
73.02911	2.5
79.05480	2.6
80.60465	0.2
81.03415	4.6
81.07063	2.8
83.04972	1.1
83.08623	1.1
85.02898	6.2
85.06553	0.3
89.49216	0.2
91.03960	2.4
91.05480	4.0
93.07034	2.1
95.04966	2.2
95.08605	1.2
97.02892	3.8
97.06532	0.6
99.04447	0.9
101.02386	1.6
103.03952	0.3
105.07035	2.8
107.04971	0.8
107.08598	0.8
109.02869	0.9
109.06505	0.6
109.10127	0.4
111.04500	0.4
111.08105	0.8
115.03977	0.3
119.08588	2.3
121.06499	0.3
121.10167	1.1
122.79107	0.3
123.08080	0.4
127.03935	1.0
129.07028	1.2
131.08592	0.9
133.06459	0.4
133.10144	1.3
137.05925	0.3
142.07738	0.4
147.11674	1.5
149.09639	0.5
157.10158	1.6
163.04041	0.3
165.12755	0.3
167.34615	0.3
171.11722	0.3
175.11121	1.2
185.04381	0.3
193.08647	1.1
193.12256	2.0
194.08968	0.7
203.05327	0.3
205.65982	0.3
211.13332	0.7
219.08060	0.5
220.08470	0.6
243.08467	1.6
247.07738	0.4
248.07996	0.5
251.12552	1.5
279.10297	0.4
285.16956	0.4
307.15216	0.8
436.14151	0.3
447.17972	0.3
449.18069	0.8
469.20447	11.5
470.20963	0.4
697.34003	100.0
698.34436	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62290	1.2
51.22945	1.1
51.66219	1.1
53.03943	1.5
55.01881	1.4
55.05513	24.6
57.03437	8.0
57.07077	17.0
61.02924	21.5
67.05502	30.6
69.03441	2.7
69.07068	40.5
71.04987	3.6
71.08630	10.5
71.54465	2.6
73.02907	6.9
75.04486	1.8
79.05499	15.1
81.03386	2.2
81.07056	39.2
82.21989	1.1
83.04998	2.5
83.08143	2.5
83.08616	34.9
85.02903	25.8
85.06540	1.5
85.10180	4.6
91.03955	19.8
91.05470	3.8
93.07040	23.6
95.04953	1.4
95.08604	40.3
97.02898	14.1
97.06532	7.3
97.10176	21.5
99.04456	1.8
99.08079	2.4
100.94305	1.2
105.06989	1.5
107.08601	14.7
109.10158	20.1
109.10853	2.3
111.08095	3.5
111.11723	8.4
119.04553	1.3
121.10143	37.5
123.11703	8.2
123.32300	1.3
125.09627	2.3
125.13213	2.8
127.03863	7.6
135.11685	26.8
136.06184	16.8
137.13246	2.6
139.11177	2.6
143.14395	1.4
145.04968	11.5
149.13277	12.2
151.14822	4.7
163.06007	18.6
163.14813	5.6
165.16391	5.0
171.13823	1.9
177.16333	2.0
191.17921	1.9
247.24203	34.6
265.25259	83.4
266.25577	1.9
283.26318	18.2
339.28934	100.0
340.29114	2.0
357.30002	54.9
474.72015	1.2
501.34064	4.6
595.75171	1.3
698.45197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01852	0.8
57.03437	1.6
59.04967	0.2
61.02905	0.6
61.92964	0.2
64.45833	0.2
68.99786	0.3
69.03428	2.8
71.04990	5.7
71.16245	0.6
73.02900	0.6
75.04473	0.2
75.53049	0.2
76.93275	0.2
81.02982	0.3
81.03413	3.7
83.04961	0.5
85.02901	11.8
86.09700	0.2
87.00832	2.4
87.04446	0.4
97.02896	2.3
99.04457	1.2
103.03965	0.2
105.01862	1.6
107.04958	0.6
109.02878	3.9
111.04459	0.5
113.89545	0.2
117.01849	0.7
121.02840	1.5
123.04433	0.3
125.02393	0.4
127.03914	4.6
129.01854	0.3
129.05487	1.5
133.02904	0.3
137.05989	0.2
139.99814	0.2
145.04926	1.3
147.02840	0.4
147.06477	0.3
151.03888	0.5
159.02898	1.8
162.22011	0.2
163.03967	0.2
167.03429	1.5
179.03448	0.9
197.04530	0.4
199.07550	0.2
213.03906	0.5
227.06976	0.6
231.05014	0.7
245.08122	0.5
255.06561	0.4
257.04498	0.2
258.05255	3.0
272.06741	0.4
273.07532	0.4
286.04706	3.3
301.07053	100.0
302.07465	2.7
313.06955	0.4
343.08130	0.6
411.10538	0.4
447.12750	0.6
549.12091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05509	14.4
57.03421	3.9
57.07071	8.2
61.02641	2.1
61.02924	27.0
65.03931	2.3
67.05499	60.1
69.03413	3.5
69.07062	19.1
71.04984	3.1
71.08623	5.8
73.02915	9.3
79.05490	18.3
81.03416	2.9
81.07051	72.9
83.04980	2.2
83.08614	18.3
85.02427	1.7
85.02901	28.8
85.06508	2.6
85.10165	2.9
91.03949	28.1
91.05476	13.1
93.07034	24.2
95.04961	1.6
95.08601	71.6
97.02885	13.2
97.06503	6.9
97.10167	11.0
99.08066	2.7
105.07010	12.5
105.47554	1.6
107.08585	18.1
109.09443	3.0
109.10143	36.0
110.35426	1.6
111.08078	3.9
111.11698	4.1
113.09624	2.9
115.03975	1.7
116.19839	1.3
119.08559	13.4
121.10132	19.6
122.63747	1.4
123.11702	19.5
125.13251	1.7
127.03894	11.6
127.11195	2.0
133.10130	15.4
135.11674	11.8
137.13222	10.9
138.09929	1.4
139.11183	1.7
140.06987	1.4
141.12715	3.1
142.49020	1.3
145.04933	11.9
145.10089	2.1
147.11714	9.8
149.13249	10.7
150.48106	1.3
151.14809	6.2
155.14313	2.8
161.13246	13.9
163.06010	20.1
163.14810	10.4
165.16371	8.8
175.14816	12.0
177.16397	2.8
179.17949	9.3
189.16347	4.9
209.08128	1.7
216.66855	1.5
217.19591	2.8
245.22629	64.4
262.25189	2.0
263.23679	100.0
264.24039	3.1
265.25259	4.0
270.15625	1.5
277.39853	1.7
281.24683	3.2
302.40756	1.6
337.27328	45.9
338.17221	1.4
355.28326	7.9
488.62857	1.7
668.84760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.05505	10.4
57.03433	5.8
57.07055	4.4
61.02637	1.6
61.02924	26.5
64.78536	0.9
65.03931	1.2
67.05500	56.3
69.03414	2.9
69.07060	8.9
69.62275	5.8
69.62673	2.3
71.04976	2.2
73.02910	9.2
75.04472	1.5
79.05045	1.9
79.05490	35.2
81.03418	1.7
81.07051	64.1
83.04967	1.4
83.08619	6.5
85.02896	32.8
85.06519	3.1
87.04440	1.2
91.03946	25.4
91.05472	18.3
93.07038	50.9
95.04951	2.3
95.08599	50.2
97.02892	11.1
97.06512	3.3
97.10155	3.4
99.08076	2.3
103.03952	1.1
105.07022	13.3
107.08592	32.4
109.02860	1.1
109.06474	1.7
109.10151	26.7
111.08065	2.0
115.03915	2.4
117.07024	7.4
119.08559	13.0
121.10138	29.9
123.08050	1.1
123.11706	16.4
127.03909	10.2
131.08562	19.3
133.10121	12.9
135.11681	24.4
137.09654	2.1
137.13220	7.0
145.04947	11.2
145.10104	15.1
147.11667	12.7
149.13251	22.9
151.11156	2.1
151.14795	1.8
153.12688	1.4
159.10428	1.4
159.11694	15.7
161.13235	12.1
163.05998	24.7
163.14815	16.6
165.12715	2.0
172.64703	1.2
173.13266	13.3
175.14803	4.5
177.12680	2.6
177.16359	6.2
179.14337	1.4
187.14807	8.2
191.14320	1.1
201.16411	3.3
205.15794	2.3
215.17957	1.6
233.22685	2.7
243.21071	36.9
244.21410	1.6
261.22125	100.0
262.22455	4.2
263.23755	2.1
279.23230	2.1
335.25732	17.0
353.26843	50.6
354.27371	2.2
605.45038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24759	0.6
53.03937	3.2
55.05509	18.6
55.39431	0.5
57.03155	1.1
57.03436	18.6
57.07078	0.6
57.90905	0.5
59.05003	0.9
60.41998	0.5
61.02925	4.8
65.03947	1.7
67.05503	30.7
68.96258	0.5
69.03432	6.8
69.07069	8.0
69.51321	4.8
71.01351	0.8
71.04985	5.6
73.02915	1.7
77.03970	0.7
79.05492	32.1
80.05829	0.6
81.03416	91.1
81.07055	34.4
81.07441	0.4
82.03762	0.8
83.04977	23.3
83.08618	32.0
84.08938	0.7
85.02901	37.6
85.06543	2.5
87.04454	0.8
91.03957	2.0
91.05478	41.6
93.07038	24.2
95.04966	35.5
95.08604	12.8
97.02882	6.0
97.06541	4.9
97.10166	5.2
99.04469	0.6
99.08099	1.9
103.05476	0.6
105.04521	0.9
105.07030	30.7
107.04292	1.0
107.04961	9.6
107.08594	9.9
107.09306	1.0
109.06512	7.6
109.10152	3.9
111.04430	4.4
111.08077	14.5
113.06010	4.0
115.05460	2.2
117.07015	2.1
119.04933	1.3
119.08574	25.8
121.06529	1.8
121.10145	13.4
123.08054	3.3
123.11703	2.5
125.09638	2.4
127.07555	0.6
128.06181	0.8
129.07007	16.5
131.08566	16.1
133.06514	3.8
133.10127	16.8
135.11717	0.6
137.09630	3.3
141.06958	0.6
142.07773	3.6
143.08403	0.7
145.04977	0.6
145.10147	2.2
147.08069	4.2
147.11682	21.6
148.12108	0.6
149.09613	9.7
151.11220	1.1
153.09149	0.5
157.10129	21.1
160.41293	0.6
161.05934	0.5
163.11197	1.6
165.12755	4.3
175.11180	22.2
182.62444	0.6
189.11218	0.6
193.12239	66.4
194.12614	0.7
195.57965	0.5
211.13280	100.0
212.13577	2.1
214.70105	0.5
227.12907	0.6
249.14812	0.8
267.15906	37.2
268.16208	0.8
272.87143	0.5
277.78754	0.5
285.16956	83.3
286.17249	1.8
298.00092	0.5
349.21909	0.8
367.22672	3.6
385.23676	3.7
403.24777	1.4
430.49796	0.6
433.25864	1.5
441.26331	1.2
459.21198	1.0
459.27435	19.2
460.27664	0.8
477.28467	24.2
478.29083	0.9
495.29529	67.8
496.29834	3.9
518.57568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01854	4.0
55.05508	18.2
57.03433	15.3
57.07051	1.0
61.02905	3.4
65.03937	2.1
67.05166	2.1
67.05502	30.3
69.03431	8.8
69.07055	9.9
70.06593	1.7
71.04990	6.4
71.06096	2.4
73.02895	2.6
79.05054	2.0
79.05489	31.4
81.03413	90.0
81.07056	32.6
82.03734	2.0
83.04980	20.7
83.08128	2.2
83.08613	33.8
85.02411	2.1
85.02898	30.0
85.06537	2.3
86.06090	1.2
86.09704	5.8
91.03955	1.3
91.05476	38.2
93.07040	21.8
95.04962	34.9
95.08582	12.5
97.02877	9.0
97.06527	11.4
97.10130	6.5
99.04443	1.0
99.08108	2.5
105.06377	1.8
105.07027	27.8
107.04946	10.5
107.08585	10.5
109.06511	11.0
109.10163	5.9
111.04429	4.5
111.08073	12.4
113.05987	4.1
115.05445	1.5
116.10718	2.4
117.07011	3.5
119.04936	1.6
119.08572	27.6
121.06495	2.3
121.10128	13.0
123.08035	3.4
123.11699	2.4
124.99985	2.9
125.09617	3.9
127.03892	1.4
127.07495	1.5
129.06996	15.6
131.08560	15.0
133.06471	4.3
133.10117	16.1
135.08041	1.8
135.11688	1.5
137.05908	1.3
137.09587	2.9
139.11179	1.1
142.07738	2.9
145.06488	2.2
145.10071	3.0
147.08032	4.5
147.11674	21.4
149.09641	9.4
151.11189	1.8
157.10115	20.4
159.07962	1.3
159.11636	1.9
161.39445	1.1
163.03877	2.7
163.11160	3.3
165.12721	5.8
171.11674	1.0
175.11177	19.6
176.15211	1.2
184.07318	16.2
187.07732	1.0
193.12238	62.8
194.12512	1.4
195.08076	1.6
196.00003	1.1
199.07491	1.2
201.09061	1.3
205.10172	1.4
211.13280	86.5
212.13579	1.7
214.17987	11.0
217.11589	1.1
222.10002	1.4
227.12798	1.6
249.14812	1.2
251.10590	1.4
267.15906	50.0
268.96030	1.3
285.16943	77.7
349.21487	1.1
367.22525	3.0
385.23615	3.9
390.21555	1.2
403.24774	1.9
407.22141	1.2
432.25592	1.2
433.25699	1.5
459.27371	37.0
464.24893	1.3
477.28433	36.1
495.29507	100.0
496.30020	2.6
542.95508	1.1
639.33624	1.6
674.37018	3.1
692.38062	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	691.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01868	2.9
55.05513	5.9
57.03434	2.4
60.91065	0.5
61.02931	1.5
67.05498	7.8
69.03422	2.2
69.07061	3.6
70.25568	1.6
70.25965	1.1
71.04995	1.1
72.56890	0.6
75.03017	0.7
79.05496	7.5
81.03413	7.3
81.07051	9.6
83.04992	2.8
83.08601	3.7
84.08129	0.7
85.02887	3.7
86.09720	0.6
91.03951	1.0
91.05481	8.1
93.07044	6.1
95.04964	5.1
95.08594	3.3
96.08129	0.6
97.02896	2.2
97.06526	10.2
97.10179	1.5
99.08112	0.6
99.97238	0.6
103.05450	0.5
105.07022	5.3
107.04961	3.0
107.08580	3.4
109.06541	2.0
109.10171	2.3
111.08085	1.2
115.05466	0.9
117.07041	2.8
119.08574	4.0
121.06491	1.6
121.10167	2.0
123.08067	1.7
123.11703	0.6
125.09659	1.9
127.03946	1.7
128.06284	0.8
129.07016	2.5
131.04956	0.8
131.08525	4.4
133.06499	1.1
133.10101	2.9
135.08060	0.6
135.11719	1.0
137.09776	0.7
141.06999	1.4
143.08562	2.1
145.06509	1.2
145.10158	2.8
147.04395	1.1
147.08078	1.5
147.11671	1.3
149.09671	2.1
151.11377	0.7
153.07021	0.9
155.08592	2.1
157.10170	1.8
159.08083	2.1
159.11757	1.6
161.06076	0.7
161.09648	1.2
163.03905	1.1
163.11249	1.4
165.07039	1.3
165.09142	1.1
167.08582	1.1
169.06317	0.7
169.10138	1.5
171.08089	0.9
173.09659	1.3
175.11174	1.7
177.12746	1.0
179.08551	1.4
181.06554	2.3
181.10172	1.1
183.08078	2.4
183.11748	0.9
184.07344	1.1
185.09645	1.4
187.07637	2.3
189.11284	1.2
191.10625	0.6
193.10590	0.6
193.12286	2.5
195.08151	2.4
195.11749	0.8
197.06166	0.8
197.09666	1.8
199.07553	3.4
201.09166	1.5
205.10332	0.9
206.07352	0.8
207.08087	1.7
209.09669	0.9
211.07640	1.1
211.11372	1.0
211.13293	1.4
213.09158	1.4
215.07094	0.8
215.10695	1.1
219.08089	1.0
221.09604	1.6
223.11179	1.2
224.08315	0.8
225.09096	1.5
227.10768	1.1
227.12863	1.8
235.11255	1.4
236.08215	0.7
237.09236	1.1
238.10045	0.8
239.10596	0.9
245.09598	1.0
245.13379	0.7
247.11368	1.5
249.12852	1.0
251.10638	0.8
251.14467	1.6
253.12201	0.9
257.18976	0.8
259.11145	0.7
261.09299	0.9
263.10904	0.8
263.14136	0.9
267.16019	2.6
269.17554	1.0
271.17023	1.2
273.18628	1.1
275.20084	2.6
277.12366	1.3
279.13950	1.6
283.15494	2.8
284.15796	0.9
309.14984	0.7
347.22519	0.8
349.18167	0.9
349.23822	6.3
367.24942	2.1
389.21167	2.8
407.22189	3.3
415.13995	0.8
425.23538	0.9
428.14636	1.4
429.15775	1.3
430.16373	1.7
437.23187	0.8
442.16678	0.9
443.17108	1.5
444.19016	0.8
457.18893	4.3
458.19965	1.1
459.21152	0.7
463.25031	1.5
469.14874	0.9
470.12735	2.0
476.27725	0.8
481.26059	1.7
483.12439	4.2
484.13593	8.5
485.14188	0.8
485.18933	0.7
493.27969	1.8
494.28265	2.4
497.14993	3.7
498.15100	5.2
499.15866	3.1
511.16278	2.3
512.17010	6.3
513.17731	19.8
514.18597	5.8
523.16016	6.7
525.17737	2.5
526.18738	1.7
527.19440	5.8
531.19281	0.8
545.23633	1.2
555.19141	1.8
563.32172	0.8
568.19409	0.8
573.23248	1.9
581.03192	0.7
581.32581	1.5
599.22009	1.3
599.33698	1.9
600.22607	2.1
601.22894	6.6
614.23438	1.1
617.34393	0.9
632.23767	0.8
655.36493	2.2
659.23871	1.5
660.24268	2.7
673.26099	1.4
673.37415	5.7
676.23175	0.9
691.26178	100.0
691.37952	8.1
692.26587	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	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01868	4.2
55.05247	1.7
55.05502	15.9
57.03430	13.3
57.07065	1.0
61.02917	2.4
63.09149	1.0
65.03941	1.8
67.05500	22.9
69.03422	3.9
69.07060	8.5
71.04975	5.3
71.45616	1.4
73.02917	1.6
77.03909	1.2
79.05486	31.2
81.03410	43.2
81.07050	28.8
83.01363	0.8
83.04975	15.6
83.08617	21.2
85.02905	20.5
85.06532	1.3
91.05472	24.9
93.07038	37.0
95.04958	21.5
95.08601	32.4
97.02883	6.7
97.06506	6.9
97.10173	3.1
99.04449	3.8
99.08100	1.4
103.05423	1.0
105.07022	19.0
107.04943	12.5
107.08583	24.7
109.02834	1.0
109.06528	5.4
109.10140	5.3
111.04424	2.7
111.08064	6.0
113.06018	2.5
117.07001	9.2
119.08570	23.8
119.60051	0.8
121.06484	6.5
121.10132	16.1
123.08049	3.6
123.11668	1.1
125.05976	2.6
125.09626	1.9
127.07586	1.3
129.06996	8.1
130.07814	1.4
131.08586	7.3
133.06470	1.7
133.10098	7.4
135.08032	2.6
135.11681	39.7
137.09596	1.9
139.07590	1.6
142.06699	0.9
142.07774	1.8
143.08569	1.2
145.10109	25.8
147.08086	3.3
147.11676	8.9
149.09624	3.7
153.12682	1.2
157.10098	9.8
159.07990	1.3
163.03920	1.6
163.11171	50.4
165.12770	2.8
167.06970	1.0
173.09615	1.4
175.11166	9.2
181.12251	7.3
193.10406	1.5
193.12224	27.1
197.46040	0.9
209.11823	1.4
211.13272	37.0
211.15251	1.8
214.18054	1.3
227.12753	60.1
228.13129	1.9
267.15894	30.9
283.15387	65.1
284.15652	1.8
285.16956	57.7
286.17435	1.4
299.05301	1.2
325.13333	0.9
389.91748	1.0
475.26910	32.9
476.27426	1.7
493.27933	100.0
494.28098	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	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
52.56060	0.5
53.03934	2.2
55.01662	0.5
55.01869	5.8
55.05507	15.9
57.03176	0.7
57.03434	11.9
57.07058	0.8
57.25825	0.4
59.04990	2.2
61.02918	4.6
65.03925	1.6
67.05501	18.1
68.87794	0.5
69.03441	3.6
69.07064	6.4
70.06551	0.5
70.19897	0.7
70.20304	2.3
71.01345	0.8
71.04676	0.5
71.04990	5.0
73.02905	1.4
79.05489	24.2
81.03413	43.0
81.07050	25.0
83.01341	6.1
83.04980	17.0
83.08127	1.1
83.08613	21.6
85.02898	20.1
85.03419	0.9
85.06528	1.7
91.03951	1.6
91.05476	23.9
93.07037	22.2
95.04964	19.2
95.08604	10.2
97.02879	5.8
97.06528	6.2
97.10165	3.9
99.04440	2.0
99.08081	1.2
99.61237	0.5
103.05406	0.7
105.07024	16.0
105.91920	0.5
107.04948	8.2
107.08589	11.9
109.06517	6.9
109.10145	3.7
111.04422	3.4
111.08060	7.1
113.06001	1.4
115.05420	1.3
117.07008	5.4
119.04961	0.6
119.08578	14.3
121.06493	3.3
121.10137	8.7
123.04358	0.6
123.08073	7.3
123.11653	1.0
125.05975	1.2
125.09634	2.3
127.03821	0.9
128.06181	0.7
129.07005	6.8
130.07785	0.6
131.08566	8.7
133.06470	1.4
133.10120	6.5
135.08063	1.6
135.11688	8.7
137.09604	2.0
142.07774	1.4
143.08609	0.7
145.06429	0.8
145.10110	9.8
147.04384	1.1
147.08049	2.7
147.11667	9.6
149.09572	4.8
153.12727	1.9
155.08620	1.0
157.10112	8.5
161.09605	0.6
163.03891	2.3
163.11174	16.6
165.12778	2.0
173.09607	2.8
175.11183	8.4
181.12242	2.2
191.10663	1.9
193.08571	0.6
193.12241	24.8
209.11681	5.2
211.13277	40.2
227.12688	3.5
249.14909	0.7
265.14267	0.8
267.15915	9.1
271.70889	0.7
279.17828	0.6
283.15384	59.7
284.15723	1.2
285.16971	35.0
286.17419	0.8
383.22250	3.2
401.23138	1.3
457.25677	3.4
475.26932	15.4
493.27948	100.0
494.28275	4.3
645.59888	0.6
690.25867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.6
53.03940	14.0
55.01868	8.4
55.05508	32.1
57.03437	12.8
57.07074	3.5
59.04995	2.0
61.02932	2.2
65.03936	5.2
67.05501	73.1
69.03429	33.2
69.07063	21.7
71.01386	2.0
71.04987	14.4
71.64205	1.6
71.64602	1.5
73.02908	2.9
79.05488	71.9
81.03414	100.0
81.07051	80.9
82.07383	1.6
83.04980	23.9
83.08617	23.8
85.02900	22.1
85.06547	5.3
87.04456	2.2
91.05479	63.0
92.05781	1.7
93.07040	70.8
95.04964	31.9
95.08602	45.2
97.02884	23.9
97.06535	9.8
97.10171	6.3
99.04439	8.8
99.08089	2.7
103.05499	2.9
105.04512	1.8
105.07024	49.8
107.04957	8.0
107.08588	34.4
109.02865	20.5
109.06525	7.4
109.10147	18.6
111.04452	12.4
111.08086	9.9
113.05991	2.4
115.05453	3.2
117.07015	21.7
119.04917	1.6
119.08575	40.8
121.06525	5.7
121.10133	31.5
123.04411	2.0
123.08073	6.2
123.11708	6.3
125.09550	2.9
127.03906	12.8
127.07628	1.9
128.06258	2.9
129.05493	3.1
129.06992	19.3
130.07790	1.3
131.08574	29.2
133.06528	5.7
133.10138	21.9
135.08061	5.1
135.11684	13.9
137.05949	2.1
137.09616	1.7
141.07004	4.8
142.07779	3.4
143.08578	12.9
144.09229	1.7
145.06499	2.9
145.10097	22.5
147.04405	1.4
147.08006	6.6
147.11676	27.9
149.05975	2.1
149.09639	6.3
149.13228	7.5
153.12764	1.8
155.08559	9.9
156.09364	2.4
157.10115	19.1
159.08096	1.6
159.11665	15.4
161.05980	1.5
161.09639	1.6
161.13300	6.4
163.11151	6.5
163.14832	3.7
165.12747	6.8
166.07779	2.1
167.08607	3.9
169.10088	6.7
171.08023	2.5
171.11676	9.7
173.04459	7.9
173.05847	1.8
173.09662	3.1
173.11916	2.0
173.13234	7.7
175.11192	9.1
175.14880	2.3
177.12802	2.8
179.08624	2.7
181.10168	4.7
181.12253	3.1
181.57756	1.3
182.07283	1.4
183.11653	8.2
184.07413	1.8
185.09694	1.7
185.13290	7.5
187.14825	3.3
189.11250	1.8
189.12755	2.3
191.10707	4.5
191.14386	1.3
193.10385	2.7
193.12219	29.7
195.11780	4.1
195.13829	1.5
197.13293	4.2
199.06097	2.0
199.11153	1.7
199.14848	3.7
201.12675	2.2
203.14368	2.4
207.11763	1.6
209.13278	3.9
211.11394	1.8
211.13251	42.0
213.12889	2.0
215.14305	1.4
219.11774	1.7
223.14870	2.3
225.16492	1.9
227.12839	4.3
235.14990	1.8
237.12509	1.3
241.19537	2.7
248.25171	1.4
259.20639	6.1
261.22098	7.8
267.15894	9.7
269.17462	1.7
277.21750	3.4
285.16931	6.5
285.22003	2.2
301.14316	1.6
301.21759	2.8
317.24988	2.2
327.23349	2.2
333.24472	2.8
335.25888	13.7
337.16568	2.2
345.24475	2.0
351.23383	2.5
355.17441	5.5
363.25534	1.7
369.24271	5.8
387.25351	2.7
411.20157	4.7
417.31558	1.8
435.32474	3.1
453.33795	2.7
461.28735	3.2
471.34772	3.8
527.37366	29.9
543.36884	2.1
545.38318	10.3
591.36346	1.4
635.39264	4.1
653.40576	4.7
671.41071	7.8
689.42444	54.3
690.42993	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	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	1.6
53.03941	9.5
54.05618	1.8
55.01863	7.5
55.05510	27.9
57.03437	14.8
57.07069	4.8
60.08175	2.1
61.02919	10.5
65.03935	6.0
67.05505	63.5
69.03432	25.0
69.07065	24.2
71.04996	13.5
71.08638	2.2
71.63758	2.0
71.64174	3.6
73.02925	5.4
74.00984	1.8
79.05492	50.0
81.03418	69.7
81.07056	72.0
81.31207	1.9
83.04975	21.6
83.08619	14.3
85.02907	16.2
85.06535	5.4
86.09691	9.2
91.03954	2.5
91.05482	53.0
93.07046	57.7
94.07379	2.3
95.04961	11.5
95.08607	44.7
97.02888	31.6
97.06532	7.5
97.10161	3.8
99.04464	5.8
99.08131	1.9
103.05418	2.5
105.07023	51.4
107.04983	3.4
107.08597	34.2
109.02891	10.2
109.06528	6.5
109.10165	17.8
111.04442	7.0
111.08086	4.4
115.05450	3.4
117.07002	25.2
119.07778	3.5
119.08582	36.9
121.06525	4.1
121.10135	23.6
123.04508	2.4
123.08101	3.5
123.11714	9.1
125.00038	5.3
127.03902	11.1
128.06241	8.2
129.05489	8.8
129.06995	17.2
131.08566	39.2
133.10136	28.1
135.08069	5.0
135.11676	16.3
137.09616	3.3
141.07021	6.6
142.07768	5.4
143.08549	21.5
145.06494	4.2
145.10143	26.2
147.08078	4.8
147.11664	21.6
149.09634	3.4
149.13258	12.0
153.07011	2.1
155.08528	11.8
157.10141	20.3
159.08061	2.9
159.11661	21.3
161.09740	3.0
161.13200	10.2
163.11263	4.1
165.12761	9.0
167.08549	5.2
169.10152	18.0
171.08095	2.2
171.11710	19.4
172.11958	1.9
173.04416	16.4
173.13229	9.8
175.11220	2.2
175.14832	6.3
176.07251	1.8
177.12758	4.3
179.08543	2.0
181.10126	7.1
182.10828	2.2
183.11687	15.3
184.07318	20.6
185.07683	3.2
185.09610	2.4
185.13225	10.6
187.11226	3.7
187.14888	3.6
189.12659	3.1
193.10262	3.1
193.12236	3.7
195.11705	7.7
195.13669	2.6
197.09668	2.4
197.13220	9.7
199.05965	2.4
199.11119	2.5
199.14841	7.3
201.16365	2.4
207.11699	3.6
209.13257	6.4
211.14833	5.4
213.16522	3.7
215.14246	2.3
221.13235	3.5
223.14912	2.7
225.16534	3.0
227.18059	2.4
235.14819	2.8
237.16394	2.6
241.19699	4.0
243.20952	1.9
244.09990	2.1
244.22826	2.4
247.14745	3.1
249.16495	2.2
257.19070	4.7
259.20538	11.7
261.22305	5.2
267.15921	6.7
269.17590	6.4
270.53436	2.0
273.22247	2.3
285.17004	3.3
297.22333	2.3
299.19998	2.3
301.21707	3.0
315.23181	2.4
333.24240	6.0
335.26038	9.3
341.24655	2.8
351.23108	3.0
357.24457	2.5
360.71365	2.5
413.21863	3.8
429.19028	2.2
435.32571	14.4
453.33554	8.8
471.34695	3.9
503.37329	3.1
509.36020	9.1
517.38837	4.8
525.35638	4.4
527.37305	100.0
528.37634	5.8
529.38867	4.3
545.38470	12.6
561.35510	2.6
569.38495	3.6
571.21259	2.4
633.38007	2.2
635.39172	6.0
653.40326	9.6
671.41748	13.3
689.30359	3.1
689.42444	50.4
690.42725	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	688.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53975	0.3
55.05507	0.5
56.05020	0.9
58.06583	0.4
60.07877	0.4
60.08164	5.9
67.05492	1.9
69.19462	0.3
71.07376	2.9
71.39729	0.7
75.41656	0.3
79.05457	0.4
80.75245	0.3
81.07043	0.7
86.09702	31.4
91.05512	0.4
95.08598	0.6
98.98454	2.8
103.28191	0.3
104.10745	2.4
109.10153	1.1
125.00002	19.9
134.87610	0.4
143.01050	0.4
173.11688	0.5
184.07335	100.0
185.07613	0.6
229.14348	2.0
239.26416	0.3
266.66507	0.4
272.92654	0.3
279.68610	0.4
337.27359	1.3
359.66473	0.3
380.05527	0.3
491.37122	1.0
511.50546	0.3
688.45715	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	688.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01627	0.6
55.01873	7.0
55.05508	12.1
57.03437	9.5
57.07077	0.6
59.05004	2.5
60.13116	0.5
60.75696	0.4
61.02928	2.8
67.05504	9.4
69.03414	1.8
69.07063	2.7
70.19997	1.9
71.01349	1.0
71.04994	3.4
73.02911	1.1
73.67487	0.5
79.05492	14.5
81.03420	10.1
81.07053	13.2
83.01343	9.0
83.04980	9.6
83.08620	8.7
85.02905	6.5
85.06525	0.9
89.03893	0.5
91.03941	1.9
91.05476	9.8
93.07042	19.9
95.04970	6.3
95.08608	5.5
97.02888	4.9
97.06519	4.9
97.10145	1.2
99.04446	2.7
103.05460	0.7
105.04536	0.5
105.07031	7.7
106.33428	0.4
107.04955	7.1
107.08592	10.4
109.02876	0.5
109.06511	6.3
109.10153	1.7
111.04422	1.9
111.08088	1.5
117.03387	0.9
117.07030	5.7
119.08576	6.4
121.06504	3.0
121.10143	5.9
123.08072	7.1
125.05968	1.4
125.09615	1.1
127.03936	0.5
129.06985	1.3
130.07753	1.1
131.04887	0.8
131.08577	2.8
133.10089	1.1
135.04396	2.5
135.08040	1.5
135.11681	10.0
137.05959	1.0
137.09547	1.2
143.08649	0.6
145.02864	1.7
145.06531	0.4
145.10126	14.0
147.08055	1.6
149.09618	0.7
151.11247	0.6
153.12741	2.0
155.08508	1.4
163.03911	21.4
163.11183	20.7
173.08348	0.5
173.09528	2.6
181.12227	2.8
190.35683	0.5
191.10670	2.0
195.13684	0.5
209.11755	5.0
227.12784	3.4
233.11723	1.4
259.09668	1.4
265.14255	0.6
283.15399	100.0
284.15784	1.0
325.09131	1.0
326.14944	0.5
329.17535	0.7
491.26416	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12991	2.6
53.03935	6.8
55.01861	6.6
55.05507	21.7
57.03436	14.7
59.05010	2.7
61.02902	4.1
65.03922	3.5
67.05501	55.7
69.03422	5.4
69.07064	18.5
70.06582	2.8
71.04979	8.6
71.63589	3.7
73.02899	2.9
79.05489	75.6
81.03416	58.2
81.07054	53.1
83.04974	22.1
83.08616	21.7
85.02905	21.0
85.06532	4.2
91.05473	65.4
93.07045	73.0
95.04969	35.1
95.08609	25.5
97.02878	7.8
97.06528	18.1
97.10165	4.7
98.07328	2.2
104.47164	2.5
105.07021	48.2
107.04978	13.6
107.08596	19.1
107.92309	2.7
109.06505	9.9
109.10143	10.0
111.04416	4.5
111.08073	6.2
117.07005	9.0
119.08579	32.8
121.06525	6.7
121.10118	11.5
123.08034	5.8
129.07010	20.5
131.08571	12.2
133.06429	3.7
133.10114	19.8
135.04456	4.4
135.11720	5.8
137.06020	2.5
142.07762	2.6
143.08569	8.9
145.02817	4.3
145.06572	2.6
145.10120	9.7
147.08078	4.9
147.11682	45.7
149.09554	7.4
157.10147	13.7
161.09648	6.3
161.13239	11.4
163.03909	48.8
165.12762	3.1
171.11693	21.3
175.11180	11.4
184.12212	3.3
187.99736	2.6
189.12779	6.5
193.12234	28.1
207.13792	27.6
211.13307	40.8
215.07095	3.0
233.11758	3.4
259.09720	6.8
267.15930	36.3
281.17471	100.0
283.15390	4.3
285.16980	33.9
325.09036	3.9
329.17447	7.7
334.59961	2.7
473.28992	92.7
474.29453	2.9
490.02606	2.9
491.30096	94.4
566.24884	4.4
609.39966	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.05264	1.1
55.05507	12.9
57.03181	1.2
57.03435	11.3
57.07066	3.3
59.04979	3.6
61.02919	5.1
64.13914	0.8
65.03932	2.2
65.40343	0.8
67.05501	100.0
69.03407	3.0
69.07060	9.2
69.49806	2.0
69.50221	5.5
71.04984	2.5
71.94926	0.8
73.02901	1.0
79.05486	20.7
81.03394	1.4
81.07050	39.9
83.08617	9.4
85.02895	3.6
85.06532	3.0
91.03932	1.8
91.05483	12.6
93.07037	26.3
95.04948	2.7
95.08598	27.8
95.29058	0.9
97.02883	2.7
97.10165	2.0
99.08056	1.5
100.21630	0.9
105.07022	8.7
107.08589	13.4
109.10149	75.9
110.10478	0.9
111.08059	2.4
117.06979	2.9
118.39804	0.8
119.08564	11.2
121.10134	11.9
123.11687	4.8
123.19093	0.8
125.09573	1.6
131.08542	6.4
133.10098	4.8
135.11653	6.6
137.09578	2.9
145.10085	4.7
147.11646	3.5
149.13257	4.9
152.23615	0.8
155.10686	4.6
159.11696	3.3
161.13229	3.5
163.14784	1.9
169.91084	0.9
172.31273	1.0
173.10216	1.5
173.11751	23.6
173.13258	2.8
175.14821	1.4
177.12810	1.0
187.14876	1.2
189.11249	1.7
201.16472	1.0
213.15454	0.8
227.12746	2.9
229.14343	88.5
230.14752	1.7
243.21101	5.0
261.22131	19.2
317.24661	3.3
335.25778	75.1
336.25977	2.7
371.13177	0.9
426.71268	0.8
489.35727	57.7
490.35919	4.4
507.36688	2.7
564.06787	0.9
687.41211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
67.05506	4.6
69.03423	0.9
69.07077	2.1
71.08607	0.9
71.65710	1.2
79.05481	3.3
81.03400	1.9
81.07053	4.0
83.04980	1.0
83.98390	0.7
91.05463	3.6
93.07041	2.7
95.04945	1.0
95.08598	2.7
102.69633	0.8
105.07024	2.9
107.05005	0.8
107.08603	2.1
109.10141	1.0
111.08134	1.2
117.07006	1.6
119.08550	1.9
121.10172	1.1
130.11472	0.8
131.08534	1.4
133.10144	2.2
135.07982	1.0
137.09808	0.9
138.66690	0.8
144.08083	0.7
145.10141	1.3
155.08607	0.9
157.10144	1.2
159.11783	1.0
169.20767	0.9
172.07620	1.0
196.10027	1.1
197.10727	0.9
207.02290	0.8
207.10405	1.0
208.09773	1.6
209.10674	5.9
210.11510	2.6
211.12291	3.9
213.06528	1.2
221.10684	1.7
222.11398	2.3
223.08640	2.5
223.12210	6.8
224.13095	3.9
225.10316	0.9
225.13837	3.5
226.14471	1.3
227.08186	1.2
232.09726	1.6
235.12360	1.0
236.13039	1.6
237.10237	2.6
237.13863	15.5
238.14645	8.0
239.11674	1.0
239.15475	5.3
240.15953	1.1
241.09793	2.5
249.10538	0.8
249.13950	1.4
251.07980	1.1
251.11868	1.7
252.12573	1.1
253.09700	0.8
253.13330	1.6
255.07672	1.2
255.11203	1.7
265.13370	8.8
266.14099	4.4
267.14999	5.5
273.12329	3.1
275.19989	2.1
279.67258	1.0
297.12250	4.0
299.10107	1.1
301.15775	0.9
302.16400	0.9
309.16000	2.5
314.16486	1.2
315.13379	2.5
316.14462	1.3
325.15475	9.8
326.16296	1.8
327.17114	4.0
328.17947	1.6
335.13950	1.3
338.16675	1.1
341.15274	1.2
343.13016	2.1
386.18735	1.3
387.19614	1.3
388.20444	2.0
392.17218	1.4
394.17810	1.1
400.20737	1.0
401.21292	1.8
402.21921	2.4
403.21942	0.9
404.23291	2.2
405.17194	2.4
408.19501	1.8
409.20126	1.9
414.17929	1.5
419.18790	2.6
423.22495	1.1
437.19696	1.4
451.21054	2.3
453.22723	1.5
463.21637	1.3
465.18445	1.0
475.21463	1.0
481.22372	1.5
482.23407	1.4
490.22461	2.7
491.24725	1.4
494.19583	1.9
497.25284	3.7
506.23474	1.1
507.24036	4.9
509.21249	1.0
510.22372	1.1
511.23340	1.4
517.22498	0.9
521.25391	2.3
524.24335	1.4
525.25214	5.8
539.26886	2.4
540.26953	2.2
549.24615	3.3
553.23950	2.5
567.25757	4.8
568.26477	2.9
579.26343	1.5
589.41248	1.6
595.25708	4.4
605.23047	1.7
609.27252	15.3
610.26019	1.0
611.28284	1.8
623.25024	4.9
625.26495	1.8
627.28088	34.0
628.28009	1.6
637.26410	4.1
655.27600	100.0
656.27777	6.1
687.29321	3.3
687.40540	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	685.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.8
55.01865	5.6
55.05512	43.5
57.03438	19.0
57.07075	54.9
65.03931	3.4
67.05501	52.3
69.03421	22.4
69.07072	25.8
69.07393	5.4
71.04978	6.7
71.08633	35.2
71.55160	4.4
72.09022	3.2
73.02892	3.0
79.05475	29.4
81.03416	100.0
81.07056	53.4
83.04482	6.2
83.04972	96.2
83.08615	34.6
85.02885	17.1
85.10181	22.5
89.05990	4.2
91.05464	31.0
93.07056	22.0
95.04968	30.7
95.08604	36.7
97.02882	13.5
97.06503	4.4
97.10163	10.3
99.04446	8.3
105.07029	25.3
107.04951	8.7
107.08580	14.1
109.02872	12.7
109.06499	3.9
109.10149	22.0
111.04448	30.7
111.08064	15.8
113.06022	3.6
117.07054	5.5
119.08593	18.7
121.10137	16.3
123.11689	8.4
127.03918	9.6
129.05470	35.4
129.06981	15.2
131.08551	10.5
133.06410	4.6
133.10121	12.1
135.11671	4.6
142.07748	3.9
145.10095	6.5
147.07980	5.2
147.11691	26.0
149.09587	9.3
153.12781	6.7
157.10120	13.5
159.83351	3.0
163.03929	8.6
163.11124	5.4
165.12724	5.8
173.02368	3.5
173.09636	4.8
175.11244	16.7
181.12221	9.3
191.10645	7.7
193.12253	46.8
209.11752	5.0
211.13272	49.8
213.05481	4.4
227.12703	16.7
229.14442	15.2
239.23676	9.2
247.81598	3.3
249.15012	4.3
267.16003	16.8
283.15594	4.3
285.16940	16.3
313.27362	77.2
355.17816	6.1
390.45639	3.1
411.20282	5.1
429.21344	17.4
505.38568	12.8
523.39954	95.6
545.38501	4.8
561.90582	4.2
617.22968	5.7
635.24402	14.0
667.44238	21.0
685.43121	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	682.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01870	0.6
55.05512	0.8
58.06590	0.7
63.34476	0.3
65.03941	1.2
67.05503	1.8
69.03412	1.0
70.06587	1.1
71.04989	0.4
71.37505	0.9
79.05499	0.5
81.03446	0.4
83.04990	3.7
85.02898	1.8
86.09674	0.4
90.61458	0.4
91.05489	1.8
93.03405	0.5
95.04972	1.3
97.02856	0.5
97.06528	2.3
103.05480	1.1
105.07061	0.5
107.04975	0.6
110.25002	0.3
111.04453	2.0
115.05455	5.8
117.07007	1.0
119.04957	1.2
120.19709	0.3
121.06509	0.5
122.03653	0.7
123.08087	0.4
125.06046	0.4
127.03899	0.9
129.06998	0.5
131.04933	2.4
131.10951	0.3
132.05739	0.6
132.08119	1.4
133.02864	0.6
135.04417	0.8
136.05229	0.5
136.07607	0.6
137.05975	13.9
139.03902	0.9
142.63136	0.4
143.04918	12.4
144.05673	0.4
145.06474	1.5
146.09665	0.4
147.04422	1.5
149.06018	0.8
150.06783	1.8
151.07538	8.7
153.05496	3.8
153.06982	0.6
159.04434	0.7
160.05211	2.5
160.07599	1.6
161.05959	2.6
162.06822	0.7
162.09117	0.4
163.07516	1.9
164.07083	0.8
165.05615	0.9
165.07057	1.1
165.09088	0.6
167.07181	0.5
167.08574	0.7
171.04443	1.1
172.07445	0.5
174.06882	0.9
174.09161	1.6
175.07552	9.8
175.09000	0.5
176.07056	1.8
177.05547	0.7
177.07906	2.8
177.09222	0.6
178.08694	2.6
179.07036	0.9
179.09451	0.9
180.05734	0.4
181.06543	1.3
183.08104	1.1
185.06024	0.4
187.07571	0.5
190.08661	1.6
191.09480	0.8
191.34056	0.4
192.10199	13.6
193.06534	0.7
193.10600	0.4
195.08090	1.4
197.05989	0.7
199.07544	0.4
204.10179	0.6
205.06540	1.6
206.11795	0.9
207.08134	0.9
208.05127	0.4
209.05894	2.0
210.06763	0.7
211.07454	1.8
213.05463	0.5
219.08028	0.4
221.06012	2.3
222.06735	0.8
223.07553	4.0
225.05730	0.4
225.08987	2.5
225.34906	0.4
226.06233	0.5
233.06166	0.6
233.09787	0.4
233.11737	2.4
234.06857	1.1
235.07680	1.3
236.04585	0.9
237.05496	3.0
237.09138	1.7
238.06396	0.7
239.07089	1.5
239.10690	0.5
240.07716	0.6
241.08745	0.7
243.06659	0.6
247.07802	0.6
249.05394	1.0
249.09172	1.0
250.06250	0.6
250.14442	1.5
251.07007	5.0
251.09195	0.5
253.05087	0.7
253.08527	3.2
254.05843	0.9
254.09438	1.3
255.06561	1.1
255.10214	3.3
256.07416	0.8
257.07999	0.9
265.05093	1.4
265.08539	2.0
266.05920	0.4
266.09286	1.1
267.06842	1.9
267.10010	2.4
268.07208	0.7
269.08163	2.5
269.11673	0.7
270.08942	0.8
271.09766	1.9
277.08780	0.5
279.06543	1.8
279.10129	0.8
280.07181	0.4
281.08127	3.4
281.11572	0.8
282.05350	0.8
282.08612	0.5
283.06500	0.8
283.09665	11.2
284.10275	0.7
285.07898	0.5
285.11307	2.6
286.11954	4.3
291.06863	0.5
291.10056	0.6
293.08044	0.8
295.06119	1.5
295.09592	0.9
296.07224	0.8
296.10516	1.5
297.07593	6.9
297.10941	0.7
298.04825	0.6
298.08524	0.7
298.11987	11.1
299.09088	0.4
301.08633	0.6
307.09677	0.7
309.07751	0.9
311.09235	1.9
313.07047	4.2
315.08664	0.6
315.13464	1.4
316.13821	1.4
319.09601	1.2
391.47559	0.4
399.12543	0.6
431.15359	0.8
441.12289	1.3
447.14407	0.5
461.82538	0.4
464.20779	0.6
487.12421	0.7
490.18646	11.9
508.20068	2.5
636.24597	2.8
664.23718	8.8
682.24896	100.0
683.25250	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	683.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.3
55.01867	11.4
55.05510	14.3
57.03437	12.6
57.07075	36.4
57.95718	1.9
59.04979	1.8
65.03947	2.0
67.05499	35.0
67.05843	1.2
69.03424	18.4
69.06734	2.5
69.07058	14.0
71.04996	10.6
71.08627	24.8
73.02896	1.7
79.05489	18.5
81.03413	100.0
81.07053	26.8
83.04976	24.2
83.08615	12.6
85.02906	5.8
85.10193	10.9
89.06042	1.8
91.05475	8.4
93.07037	19.9
95.04948	6.1
95.08601	27.7
97.02885	31.8
97.06516	7.4
97.10152	5.4
98.21479	4.8
99.04445	11.6
105.07014	5.6
107.04948	7.0
107.08588	13.0
109.02877	31.0
109.06535	2.2
109.10140	13.4
111.04440	29.4
111.08086	10.0
116.95270	1.8
117.06998	6.1
119.08571	7.5
121.06525	3.6
121.10156	10.9
123.11710	4.5
125.05898	2.6
125.09656	1.8
127.03926	21.7
129.05505	2.5
129.06966	2.1
131.08565	6.0
133.10159	2.5
135.08049	2.9
135.11693	20.2
137.05936	2.2
145.10150	12.3
147.11713	3.0
149.09598	3.7
153.12746	23.1
163.11185	24.5
173.09671	4.8
181.12213	28.5
183.06482	4.1
189.11230	1.9
191.10687	21.9
209.11711	8.7
227.12759	44.3
227.14899	3.3
239.23643	3.9
256.23648	2.7
283.15402	19.1
289.14340	1.8
301.16492	4.3
313.27362	68.7
317.13800	2.3
335.14777	2.5
341.27029	4.4
353.15958	14.2
427.19519	22.6
521.38318	7.8
539.39545	10.5
665.42529	17.5
683.44409	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.05512	15.9
57.03423	6.8
57.07056	3.8
58.89698	1.4
61.02919	18.8
65.03924	2.1
66.77790	1.4
67.05501	88.9
68.05825	1.7
69.03413	4.1
69.07063	16.3
69.46575	15.4
71.04969	4.5
71.08615	2.1
73.02915	7.8
77.18845	1.6
78.22790	1.6
79.05486	50.0
81.03407	2.5
81.07052	95.0
83.08607	8.3
85.02898	23.1
85.06516	2.7
88.57519	1.4
91.03951	24.5
91.05469	26.8
93.07040	66.0
95.04954	5.4
95.08602	75.5
96.08978	1.5
97.02885	10.3
97.06526	3.6
97.10159	4.3
99.08051	2.3
105.07022	21.7
107.08588	47.0
109.06549	2.2
109.09442	2.8
109.10153	43.7
111.08097	2.5
113.09599	2.4
117.07005	9.9
119.08567	19.7
120.08921	1.6
121.09296	2.6
121.10140	42.7
123.08029	1.7
123.11700	20.2
125.09579	2.8
127.03892	7.3
129.07019	3.2
131.08562	26.7
133.10136	17.5
135.11688	34.9
137.09634	1.7
137.13222	7.8
139.11188	2.4
141.07060	1.4
143.08566	3.3
145.04955	7.8
145.10098	22.6
146.10544	1.8
147.11687	14.0
149.09610	2.7
149.13248	24.0
151.14815	2.9
153.12779	1.9
155.08504	3.2
156.08983	2.6
157.09950	1.5
159.11671	21.6
161.13264	12.2
163.06012	12.0
163.14809	15.0
171.11748	1.6
173.13235	18.5
175.14778	5.5
177.12677	2.4
177.16396	6.4
179.14326	2.4
183.11324	1.4
187.14790	12.0
191.14316	2.7
197.13232	6.5
198.13596	4.6
201.16359	2.4
215.14395	3.1
215.17885	1.7
216.14586	3.0
216.58379	1.6
219.17503	1.4
229.12204	3.4
231.18889	1.5
233.22626	4.7
243.21074	37.7
243.75146	1.8
244.21262	2.0
261.22137	100.0
262.22559	3.4
263.23743	2.4
279.23227	5.5
304.08716	1.5
335.25760	39.1
353.26840	30.8
479.29541	2.2
497.31107	4.1
709.13934	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	678.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17083	3.2
71.65507	6.5
81.65166	3.6
100.41666	3.6
159.66119	3.5
159.88181	3.8
165.56729	3.3
173.43225	4.8
185.12488	3.7
211.12428	4.0
215.72728	3.6
221.91817	3.8
237.13950	5.3
313.78156	4.0
431.18466	8.3
444.18970	5.4
445.19958	7.8
454.17114	4.5
459.21915	38.0
460.22241	11.0
461.24133	4.7
462.20166	4.1
475.21432	22.7
477.22913	4.8
487.20654	7.0
519.24121	7.6
535.23755	8.7
547.27509	20.8
555.07855	4.5
561.24530	17.0
563.26794	12.0
589.24243	15.5
593.23206	22.7
606.28387	100.0
607.27362	9.4
609.25977	5.2
610.27655	7.6
621.27179	36.4
622.27777	78.0
638.27045	30.7
645.29077	23.3
646.26837	11.5
678.29388	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01846	1.5
55.05501	3.5
57.03432	4.5
58.06597	1.7
61.02916	6.5
64.68200	1.5
64.70827	1.3
67.05507	8.7
69.03410	3.3
69.07058	1.9
70.06590	19.5
71.04975	1.9
73.02900	3.1
77.23939	1.2
79.05493	8.3
81.03417	93.9
81.07066	8.3
83.04969	5.4
83.08621	20.5
83.57372	1.5
84.08146	1.7
85.02920	12.4
86.09717	1.7
86.21652	1.4
91.03970	7.2
91.05486	14.7
93.07052	7.0
95.04966	28.4
95.08616	2.3
97.02882	8.0
97.06520	3.8
98.20777	2.3
105.07030	8.8
107.04934	8.2
107.08593	3.4
109.02844	1.3
109.06518	1.7
111.04440	2.8
111.08083	11.7
117.07033	1.5
119.04967	2.2
119.08592	10.1
121.06528	2.3
121.10181	6.1
123.04406	3.5
123.11561	1.4
127.03880	3.2
129.07007	5.2
131.04861	1.3
131.08586	8.5
133.06442	4.1
133.10130	4.3
135.11705	1.2
136.07565	1.2
137.05957	3.6
142.07756	2.4
145.04961	4.5
147.04370	2.0
147.08020	4.1
147.11713	8.6
149.09601	4.0
157.10144	12.2
163.03923	1.4
163.06053	6.6
163.11119	1.7
165.12721	2.5
175.11176	12.8
189.05461	1.6
191.08549	3.7
193.12244	65.7
211.13370	6.2
219.08122	2.7
232.99376	1.3
235.13229	5.0
251.10684	1.5
259.13351	1.8
264.15936	1.5
267.15918	46.9
268.13202	2.9
273.14645	1.7
285.16965	100.0
286.17273	1.8
301.14484	1.9
309.16980	20.6
327.17993	2.1
330.33865	1.3
351.18069	2.5
354.14191	1.3
363.18045	4.5
375.17865	5.2
393.19003	4.9
411.20059	4.2
429.21140	9.6
538.95526	1.5
569.55731	1.3
591.25433	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
58.96063	0.7
59.81286	0.7
67.05499	1.8
69.07077	1.5
70.74283	1.5
70.74682	1.4
79.05525	0.7
81.03435	0.7
81.07053	1.9
83.08598	0.9
93.07035	1.0
98.98469	1.0
105.07069	0.9
107.08592	1.0
128.76236	0.8
130.18324	0.7
131.08636	0.9
144.20319	0.9
145.10141	0.9
233.64622	0.7
267.15854	0.9
398.13916	1.4
399.14624	5.4
412.15317	6.4
413.16122	18.7
414.17044	19.8
415.17984	3.1
426.17010	6.2
427.17743	19.3
428.18445	25.4
429.18738	1.7
430.16525	2.0
432.19296	2.6
435.12869	0.9
440.18457	1.2
441.19586	15.0
442.19958	27.3
443.20728	9.9
444.18033	0.9
454.20435	0.9
455.20953	2.7
456.21320	2.5
458.15475	1.8
459.20944	0.9
469.18756	45.3
470.18991	15.4
471.16632	2.3
472.17352	5.8
473.18295	9.0
474.18579	2.7
485.18994	1.1
486.18878	2.3
500.20383	2.3
501.21051	4.3
502.22058	0.9
503.37439	2.6
505.18741	1.0
509.18564	2.9
510.18661	1.5
513.17633	22.5
514.17755	16.1
523.19550	1.2
525.21381	4.8
529.23981	1.1
541.20398	1.8
557.23962	100.0
558.24280	8.0
565.21533	0.9
573.23053	1.8
587.21289	1.9
588.25763	46.6
589.26257	3.2
600.22083	1.2
601.22522	2.9
615.24573	18.5
616.24811	44.6
617.24646	3.3
618.23035	0.9
631.28076	2.5
643.24011	52.4
644.24359	3.4
647.26801	1.8
675.26617	7.3
675.44482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95430	0.3
70.51945	0.6
70.52341	0.7
255.69989	0.4
262.28650	0.3
373.14636	0.4
413.16162	1.1
415.17902	0.5
416.14792	0.3
426.16827	0.5
427.18005	0.4
429.15439	1.0
430.16388	0.9
439.13864	0.7
440.14554	0.7
441.20233	1.5
442.16769	0.9
443.17343	1.5
444.18069	1.6
445.18970	1.9
453.15948	0.7
455.17749	0.8
456.13742	0.7
456.19006	0.5
457.14996	1.5
457.19562	1.0
458.19879	0.5
459.15955	0.4
467.18445	1.6
468.13712	0.8
468.18640	1.0
469.14227	2.5
470.14819	1.7
471.16211	3.0
472.17383	1.7
473.17963	0.4
480.14093	2.0
481.14774	3.5
482.15747	3.2
483.16556	4.5
484.17841	1.6
485.18304	4.1
486.18939	0.7
494.16138	0.9
495.16638	9.7
496.17468	5.3
497.18231	11.1
498.19223	2.7
499.20062	0.7
500.16788	0.7
502.18533	0.7
503.19577	0.7
510.19321	0.5
511.19580	1.2
512.20166	0.4
513.17609	2.0
514.18317	1.0
515.19244	1.2
517.20825	0.4
523.16223	0.4
527.19220	0.9
528.16571	0.6
529.20496	0.9
530.20856	0.5
542.17505	0.5
545.24249	0.5
547.22058	0.4
555.18604	10.6
556.19238	1.4
557.20483	1.2
573.23700	2.7
583.21887	0.9
584.22247	0.5
585.23413	0.7
601.23083	0.6
616.22083	0.4
617.22504	3.5
627.20886	0.7
643.23981	4.4
644.24872	1.4
645.21796	2.6
657.25690	0.8
660.24335	4.3
661.24335	0.6
675.26581	100.0
676.26788	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03394	1.0
82.74481	0.3
83.96647	0.3
85.17144	0.3
91.05449	0.4
188.47284	0.3
352.69568	0.4
427.17734	0.6
439.14011	0.6
443.17230	0.4
444.17902	0.8
445.18735	0.7
453.15591	1.0
454.16855	0.7
455.13077	0.7
456.13904	0.5
457.15009	0.8
467.13477	1.2
467.18008	0.5
468.13763	2.4
469.14658	8.0
470.15640	2.0
471.16595	1.8
472.17902	0.6
479.30176	0.4
480.14313	1.0
481.14893	2.7
482.15787	11.9
483.16620	11.6
484.17319	1.9
485.18378	2.1
487.16211	0.7
495.16821	3.6
496.17502	7.4
497.18204	40.6
498.18768	5.9
499.19788	1.3
500.16721	0.6
510.19012	2.0
511.19913	4.8
512.20459	1.5
513.17871	0.7
515.19366	2.6
523.16113	0.5
528.16296	2.2
529.17749	0.5
537.18835	0.4
538.20923	1.0
539.21155	0.5
541.17151	0.9
542.17792	2.6
543.18292	0.5
555.18536	5.3
556.19446	3.9
557.20355	3.1
569.20660	0.6
571.21875	0.8
573.22681	0.8
616.21899	1.0
617.22217	1.0
629.22821	0.8
630.22943	0.5
643.24030	7.0
644.24689	7.6
645.23669	1.8
657.25482	6.2
658.26160	0.7
660.23926	1.2
675.26581	100.0
676.26758	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	675.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01864	4.9
55.05497	10.3
57.03425	8.7
57.07055	2.9
61.02922	19.6
62.79951	2.5
67.05499	34.5
69.03419	8.4
69.07059	11.4
70.06558	2.5
71.01334	2.8
71.04996	2.7
71.64734	2.9
73.02903	9.4
79.05490	33.6
81.03414	10.4
81.07057	29.5
83.04969	3.3
83.08620	7.2
85.02902	20.5
85.06526	4.0
86.09707	2.6
91.03955	16.4
91.05475	28.6
93.07040	44.8
95.04964	7.9
95.08612	23.3
97.02352	2.3
97.02856	13.6
97.06537	8.1
97.10157	3.2
105.07027	31.2
107.04960	5.0
107.08596	27.4
109.06485	3.2
109.10140	10.4
117.07040	13.0
118.27229	2.4
119.08572	28.6
121.06528	2.6
121.10141	27.9
123.08086	3.3
123.11649	4.1
124.07571	5.2
127.03925	6.8
129.06985	9.3
131.08592	20.6
133.10138	25.3
135.11708	21.6
137.05975	4.3
137.09563	4.4
141.06975	3.7
143.08524	8.5
145.04936	5.4
145.10110	15.3
147.08018	3.2
147.11673	23.0
149.13252	13.5
151.03893	6.5
151.33878	2.3
155.08618	4.3
157.10141	8.6
159.11697	13.7
161.13223	14.9
163.03944	4.1
163.06067	6.1
163.14824	6.0
171.11673	9.7
173.13249	9.4
175.11176	5.1
175.14827	9.4
177.12682	3.3
181.10095	2.4
183.11696	3.7
184.07358	3.9
185.13243	7.5
187.14835	2.6
199.14861	5.0
203.14233	3.9
231.17297	2.7
231.21072	4.1
241.19476	14.0
259.20551	47.0
271.20334	3.1
277.21637	5.5
333.24200	8.6
349.23615	3.8
351.11423	2.9
351.25281	100.0
363.17923	2.7
363.25296	3.7
367.22983	3.8
375.25278	6.1
409.72830	2.7
441.26376	10.1
445.18500	3.2
459.27359	7.0
477.28445	7.1
495.29410	13.1
512.16461	2.7
577.36786	3.2
675.37231	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05500	1.9
56.96556	1.7
57.03417	1.2
57.07073	5.8
58.07430	0.7
58.58639	0.8
61.02917	2.7
67.05505	3.7
69.03434	1.4
69.07069	1.8
70.24353	3.4
71.04992	1.2
71.08630	4.1
72.08966	1.7
73.02886	2.1
79.05480	2.0
81.03422	1.6
81.07047	4.8
83.04985	1.0
83.08620	1.8
85.02895	2.1
85.10172	2.5
90.75619	0.7
91.03966	1.9
91.05499	1.0
93.07035	2.2
95.08606	3.3
96.08959	0.8
97.02907	2.7
97.10157	1.0
98.20795	0.8
98.97561	0.9
105.07035	1.6
107.08585	0.8
109.10180	1.9
116.98608	0.9
129.06935	0.8
131.00125	1.9
131.08601	1.2
133.10146	1.0
149.01251	2.5
156.03612	5.4
156.53857	0.8
163.06020	0.8
167.02321	1.5
167.54457	1.7
184.61165	0.7
239.23740	2.2
240.24171	1.7
241.24442	1.1
266.14508	0.8
293.05206	0.8
313.27396	6.8
314.27686	7.8
315.28049	6.3
316.28415	0.9
331.28403	1.0
332.28940	1.2
347.17233	12.0
347.21133	1.2
347.67365	7.6
348.17520	1.4
368.18466	0.8
370.10733	1.5
384.12195	4.6
385.12872	13.9
386.13815	4.5
387.14383	1.0
397.13031	1.7
398.13663	7.2
399.14484	23.8
400.15314	63.4
401.15463	4.8
403.14783	1.1
410.13657	0.9
411.14667	2.3
412.15274	9.6
412.20441	1.1
413.16150	16.8
414.16888	22.5
415.17618	3.8
416.14902	1.1
418.17545	1.7
425.16281	1.6
426.16913	2.6
427.18124	11.7
428.18594	15.5
429.13181	1.9
429.19229	50.0
430.19656	2.8
440.14590	1.6
441.15210	2.4
441.20117	1.4
442.16226	5.4
443.12543	4.2
444.14136	10.7
445.14600	1.0
447.20428	2.1
453.16162	1.0
455.17114	19.2
456.17886	7.0
457.14853	3.2
457.19315	2.6
458.15460	4.6
459.16547	5.9
467.13293	0.9
469.18857	2.9
471.16541	1.0
472.17792	5.6
473.18259	18.4
474.18472	1.0
481.15027	1.2
482.15424	1.4
483.16400	13.0
484.21606	1.1
487.15808	5.1
491.18979	1.0
495.16840	1.3
496.17148	1.7
497.18567	1.2
499.15964	2.2
501.17462	8.3
502.18686	3.6
511.19583	2.2
512.20374	1.1
512.30969	0.9
512.80927	1.0
513.35736	1.4
516.23798	9.8
519.17047	0.8
523.16144	3.2
527.15363	4.6
539.19293	10.3
540.19598	6.6
541.20221	1.3
542.21069	0.9
543.22455	14.3
544.23151	34.9
545.23279	1.2
555.18854	2.3
559.21265	1.2
560.22687	14.3
570.20508	1.4
571.21887	55.0
572.22113	14.8
573.20178	3.1
575.24927	3.0
587.21301	6.5
588.22156	100.0
589.22321	4.4
593.83783	2.4
601.23126	4.0
603.24304	5.2
615.20874	7.8
616.21106	3.0
619.23749	3.4
629.22437	16.2
630.22839	1.2
631.23785	5.6
647.23645	6.2
657.21967	18.7
674.85864	1.2
675.23224	14.0
675.35034	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09692	0.7
55.01855	2.4
55.05507	8.1
57.03435	3.5
57.07061	1.3
61.02898	1.4
62.06059	0.6
65.03936	0.9
67.05505	9.3
67.79753	0.7
68.99773	1.2
69.03427	11.4
69.07065	9.5
70.06583	3.2
70.64831	2.6
71.04969	2.2
71.07344	1.0
71.08624	9.5
72.08149	4.2
73.02895	2.0
77.67098	0.7
79.05491	6.5
81.03429	8.2
81.07055	13.3
83.01331	1.2
83.04965	2.8
83.08609	8.2
84.08109	2.2
85.02901	9.9
86.06063	30.3
87.00811	2.6
91.05486	4.3
91.54519	0.7
93.07050	9.7
95.04952	2.5
95.08596	6.8
96.08128	5.4
96.37444	0.6
97.02876	4.5
97.06537	4.3
97.10152	1.7
98.06026	2.0
98.09689	14.7
99.04446	3.1
99.08089	8.8
103.03944	0.9
105.07018	1.9
107.08604	6.5
108.08086	3.1
109.02875	6.8
109.10163	3.3
110.09655	1.7
111.08066	2.3
114.09151	2.1
116.10727	77.6
117.06966	1.9
119.08545	2.1
120.08077	0.9
121.10116	2.9
122.09670	3.6
123.08080	1.2
123.11657	0.9
124.07571	1.7
126.09147	0.8
127.03919	13.8
129.01848	0.9
131.08546	2.1
133.10097	2.5
135.11684	3.0
136.11244	1.4
140.10681	2.2
142.12225	1.8
143.10612	1.9
145.04965	2.1
145.10104	1.8
147.02974	0.9
149.02354	1.8
149.13268	7.5
152.45790	0.7
157.10049	0.8
159.02826	1.2
159.11684	2.7
163.11139	3.4
167.14273	2.2
177.12775	1.4
181.12218	0.8
183.10231	1.0
187.06017	1.7
195.13812	0.8
196.16992	2.1
206.07344	1.0
213.03923	1.6
214.18019	27.6
218.07181	0.8
221.09647	4.6
225.11163	1.5
227.12781	2.6
231.04990	2.6
231.15942	2.8
234.06683	0.8
238.17957	2.2
239.16447	2.4
249.08983	4.9
257.17444	6.2
262.21609	1.1
264.23093	0.9
268.22714	1.1
269.17407	5.9
274.21573	1.4
279.10156	19.5
283.15353	5.8
285.13150	0.7
292.22668	3.4
296.12796	0.9
310.23746	22.7
328.24802	100.0
329.12253	1.2
329.25183	2.4
338.13815	8.1
347.13449	2.1
351.05823	0.8
408.30972	2.7
418.24188	0.9
426.32095	15.0
462.23404	9.4
468.14008	1.0
469.14304	3.3
477.22092	1.5
477.28442	15.8
481.14661	1.3
482.15842	6.0
483.16788	3.8
490.30020	2.2
495.16623	1.7
496.17197	2.5
497.18167	15.4
498.19052	1.5
511.19894	1.8
515.19147	1.0
522.27258	0.8
532.31085	6.7
542.17316	1.0
555.18756	2.4
556.19348	1.9
557.20166	1.2
558.28833	3.8
576.30133	65.8
577.30493	2.2
588.37665	0.9
630.38019	2.1
643.23608	2.6
644.24585	2.3
657.25439	2.1
674.37213	11.5
675.26630	43.0
675.37390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01860	16.6
55.05510	37.4
57.03436	29.1
59.04985	3.1
61.02922	32.0
67.05161	4.6
67.05501	68.7
69.03426	56.9
69.07065	28.0
70.52757	11.4
70.53107	3.0
71.01335	5.6
71.04991	17.1
71.08620	3.9
73.02915	22.7
79.05494	66.2
81.02970	4.8
81.03417	70.8
81.07053	81.4
83.04984	26.0
83.08591	13.0
85.02414	5.1
85.02898	62.1
85.06516	4.1
86.06068	8.9
91.03931	20.6
91.05471	56.4
93.07037	60.5
94.07481	2.6
95.04959	24.2
95.08598	37.3
97.02889	70.1
97.06532	24.3
97.10162	7.2
98.21426	2.8
99.04440	17.8
99.08091	9.5
101.02394	7.5
103.03926	8.4
103.58907	2.9
105.07032	52.2
107.04943	17.0
107.08589	36.4
109.02866	26.1
109.06506	13.7
109.10152	26.4
111.04444	11.2
111.08059	9.8
111.28332	2.8
115.03924	3.6
115.05416	6.1
116.10731	17.8
117.06996	17.6
117.11088	3.2
119.04955	4.7
119.08588	39.8
121.06485	10.0
121.10146	22.3
123.04385	4.4
123.08012	6.6
123.11677	6.8
125.09627	8.9
127.03911	42.1
128.06226	4.5
129.05478	16.5
129.06955	13.2
131.04929	3.6
131.08565	23.7
133.06509	4.7
133.10114	33.7
135.08046	10.4
135.11662	11.1
137.09589	6.7
139.11107	3.3
141.06949	3.8
142.07700	2.7
143.08513	10.6
145.04958	9.8
145.06425	3.0
145.10112	22.1
147.04407	15.2
147.08124	8.0
147.11688	29.2
148.04759	3.2
149.09599	17.4
149.13261	10.9
150.61089	3.1
155.08484	6.2
157.10149	13.6
159.08049	7.9
159.11688	20.4
161.09683	7.4
161.13239	5.5
163.03891	5.4
163.06027	4.2
163.11142	5.2
165.09135	4.1
169.10115	7.9
171.08032	3.3
171.11690	9.4
173.04510	16.3
173.09616	4.2
173.13225	6.7
175.07463	2.8
175.11203	11.2
177.12752	8.7
181.06531	2.9
181.10089	4.3
183.06482	8.9
183.11682	5.0
185.13190	3.3
187.11195	3.5
189.11209	6.5
189.12782	4.4
193.12233	6.3
193.81516	2.6
194.12747	2.8
195.12091	2.6
195.13751	13.4
195.99493	2.9
197.09647	3.6
199.11247	4.5
201.07605	5.4
201.12683	3.2
204.06635	3.2
207.13742	2.8
213.14767	4.0
214.17993	8.2
223.11180	3.1
229.14307	4.2
229.19562	3.7
233.11661	5.1
239.17996	5.6
247.20515	4.9
257.19012	14.0
267.13547	3.6
269.17459	36.0
275.16937	3.8
275.20047	74.6
291.19391	5.2
293.20999	5.2
297.16968	4.6
312.13782	2.5
314.27704	2.6
326.23199	7.6
327.23465	8.6
331.22708	5.0
339.18121	5.9
349.23737	100.0
367.24670	4.3
391.24725	8.8
395.20581	10.6
413.21552	19.2
419.24390	3.5
457.25827	3.8
463.23453	4.0
475.26743	6.7
493.27756	15.1
511.29074	17.9
575.28174	14.0
581.32288	3.6
654.14679	3.9
655.36023	6.1
673.35907	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	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.05515	4.1
57.03431	3.5
57.07071	37.4
61.02920	12.9
67.05171	0.6
67.05497	9.8
69.03407	1.5
69.07064	6.8
69.97899	0.8
69.98309	2.1
71.08624	30.9
73.02911	5.9
75.04478	2.2
79.05480	1.4
81.03400	1.4
81.06574	0.9
81.07046	15.5
82.98940	0.4
83.08614	11.4
85.02895	17.2
85.06532	0.8
85.10175	16.7
89.06010	1.1
91.03943	14.4
91.05439	0.7
93.07021	1.6
95.04930	0.8
95.08596	22.6
97.02878	7.5
97.06503	0.7
97.10169	6.0
99.04461	1.1
99.11707	1.1
103.03850	0.5
103.07561	0.5
107.08630	0.6
109.02894	0.6
109.10144	12.3
111.11668	1.4
115.03934	0.5
121.10191	0.5
123.11702	4.9
125.13250	0.8
127.03902	5.5
133.10168	0.6
135.11629	0.7
137.13258	2.4
145.04936	7.7
151.14746	0.6
151.26257	0.5
163.06004	13.0
165.16402	0.8
182.12865	0.5
193.90205	0.4
221.22556	1.0
239.23677	23.7
257.24719	3.3
298.27441	0.7
313.27332	100.0
314.27682	3.1
331.28387	32.0
332.28665	1.1
475.32578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01860	16.6
55.05510	37.4
57.03436	29.1
59.04985	3.1
61.02922	32.0
67.05161	4.6
67.05501	68.7
69.03426	56.9
69.07065	28.0
70.52757	11.4
70.53107	3.0
71.01335	5.6
71.04991	17.1
71.08620	3.9
73.02915	22.7
79.05494	66.2
81.02970	4.8
81.03417	70.8
81.07053	81.4
83.04984	26.0
83.08591	13.0
85.02414	5.1
85.02898	62.1
85.06516	4.1
86.06068	8.9
91.03931	20.6
91.05471	56.4
93.07037	60.5
94.07481	2.6
95.04959	24.2
95.08598	37.3
97.02889	70.1
97.06532	24.3
97.10162	7.2
98.21426	2.8
99.04440	17.8
99.08091	9.5
101.02394	7.5
103.03926	8.4
103.58907	2.9
105.07032	52.2
107.04943	17.0
107.08589	36.4
109.02866	26.1
109.06506	13.7
109.10152	26.4
111.04444	11.2
111.08059	9.8
111.28332	2.8
115.03924	3.6
115.05416	6.1
116.10731	17.8
117.06996	17.6
117.11088	3.2
119.04955	4.7
119.08588	39.8
121.06485	10.0
121.10146	22.3
123.04385	4.4
123.08012	6.6
123.11677	6.8
125.09627	8.9
127.03911	42.1
128.06226	4.5
129.05478	16.5
129.06955	13.2
131.04929	3.6
131.08565	23.7
133.06509	4.7
133.10114	33.7
135.08046	10.4
135.11662	11.1
137.09589	6.7
139.11107	3.3
141.06949	3.8
142.07700	2.7
143.08513	10.6
145.04958	9.8
145.06425	3.0
145.10112	22.1
147.04407	15.2
147.08124	8.0
147.11688	29.2
148.04759	3.2
149.09599	17.4
149.13261	10.9
150.61089	3.1
155.08484	6.2
157.10149	13.6
159.08049	7.9
159.11688	20.4
161.09683	7.4
161.13239	5.5
163.03891	5.4
163.06027	4.2
163.11142	5.2
165.09135	4.1
169.10115	7.9
171.08032	3.3
171.11690	9.4
173.04510	16.3
173.09616	4.2
173.13225	6.7
175.07463	2.8
175.11203	11.2
177.12752	8.7
181.06531	2.9
181.10089	4.3
183.06482	8.9
183.11682	5.0
185.13190	3.3
187.11195	3.5
189.11209	6.5
189.12782	4.4
193.12233	6.3
193.81516	2.6
194.12747	2.8
195.12091	2.6
195.13751	13.4
195.99493	2.9
197.09647	3.6
199.11247	4.5
201.07605	5.4
201.12683	3.2
204.06635	3.2
207.13742	2.8
213.14767	4.0
214.17993	8.2
223.11180	3.1
229.14307	4.2
229.19562	3.7
233.11661	5.1
239.17996	5.6
247.20515	4.9
257.19012	14.0
267.13547	3.6
269.17459	36.0
275.16937	3.8
275.20047	74.6
291.19391	5.2
293.20999	5.2
297.16968	4.6
312.13782	2.5
314.27704	2.6
326.23199	7.6
327.23465	8.6
331.22708	5.0
339.18121	5.9
349.23737	100.0
367.24670	4.3
391.24725	8.8
395.20581	10.6
413.21552	19.2
419.24390	3.5
457.25827	3.8
463.23453	4.0
475.26743	6.7
493.27756	15.1
511.29074	17.9
575.28174	14.0
581.32288	3.6
654.14679	3.9
655.36023	6.1
673.35907	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	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31464	1.4
55.05505	25.5
57.03430	7.4
57.07071	18.6
61.02920	18.5
67.05499	13.2
69.03408	3.7
69.07061	39.8
71.04990	1.9
71.08624	14.5
71.65729	1.8
73.02916	6.9
75.04473	4.0
77.03871	1.5
79.05488	8.9
81.03411	2.1
81.07041	16.2
83.04976	2.1
83.08127	2.3
83.08612	35.9
85.02895	19.9
85.06547	1.5
85.10159	6.0
87.04485	1.7
91.03952	19.8
91.05458	2.7
93.07039	14.6
95.08595	12.9
97.02893	10.9
97.06512	6.8
97.10159	33.7
105.07000	2.4
107.08575	11.2
109.02848	2.2
109.10133	7.2
111.08032	5.1
111.11710	12.3
117.07008	1.9
121.10133	22.6
123.11701	6.8
125.09628	2.4
125.13286	2.1
127.03902	8.8
135.11681	15.8
137.13228	4.3
139.11246	2.9
145.04953	11.8
145.10028	1.5
149.13239	8.7
153.12778	2.1
163.06023	13.2
163.14816	3.3
167.14340	2.8
185.15491	1.6
219.21082	24.7
237.22118	38.7
255.23167	38.7
311.25784	100.0
312.26010	2.1
329.26813	34.3
422.21387	1.6
434.20459	2.2
437.29050	1.6
455.30231	1.8
473.31012	9.7
522.25549	3.8
550.24945	5.2
610.26971	4.1
670.29199	26.3
671.29248	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	672.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01857	1.0
55.05507	1.9
57.03425	0.5
60.04509	1.6
60.05640	2.4
60.08156	0.7
67.05489	2.1
68.05014	0.9
69.03414	1.2
69.07050	1.4
69.79018	0.4
69.90347	1.1
69.90757	2.3
70.06583	2.2
79.05491	3.0
81.03401	0.7
81.07049	4.3
82.06592	0.6
83.88760	0.4
84.04504	2.1
85.06543	0.6
91.05483	7.3
93.07037	5.4
93.98815	0.5
94.06558	1.2
95.04958	1.4
95.08591	2.0
96.04493	8.7
96.08070	0.4
97.02873	0.8
97.06530	0.9
98.06042	2.1
103.05451	0.8
105.07027	16.9
107.04939	0.7
107.08567	3.3
108.08087	1.1
108.64165	0.4
109.06488	1.2
109.10123	0.7
110.06046	0.9
115.05441	2.3
116.06258	0.9
117.07018	6.1
119.04927	1.1
119.08571	5.5
121.06468	2.5
121.10149	1.3
122.06023	1.3
128.06219	6.6
129.07002	10.6
130.05038	0.7
130.07802	0.4
131.08560	20.9
132.08945	0.5
133.06485	0.8
133.10115	3.3
135.04480	0.5
135.08055	0.8
136.03900	0.5
136.07559	0.9
137.06013	0.4
141.06987	5.9
142.07770	10.1
143.08560	18.1
144.08157	0.5
144.09338	2.0
145.06473	3.7
145.09010	0.8
145.10117	10.1
147.04395	1.3
147.08049	2.3
147.11687	5.2
149.05946	1.4
149.09558	0.5
153.06981	7.7
154.07759	1.3
155.08545	17.1
156.09308	1.4
157.06514	0.8
157.10126	18.4
158.07249	0.5
158.09631	1.1
158.10892	0.9
159.08043	6.6
159.11682	9.9
160.11145	0.9
161.05949	0.9
161.09639	0.6
162.09116	0.5
163.03914	2.1
163.07507	0.6
164.00453	0.5
164.04324	0.7
164.06961	0.5
165.07008	0.8
166.07799	0.8
167.08577	2.8
168.09340	38.8
169.06418	0.5
169.10095	4.7
171.08018	0.8
171.10426	0.5
171.11716	1.7
172.11127	0.7
173.05957	2.6
173.09644	3.0
173.11908	0.9
173.13260	8.8
175.07523	1.0
175.11176	7.4
177.08925	1.1
178.07681	0.6
181.10080	4.6
182.10831	0.6
183.11685	100.0
184.11986	1.9
185.09642	1.1
185.13281	4.2
186.12762	0.9
187.07524	4.9
187.11121	4.8
188.10681	0.8
193.08650	0.6
193.10118	3.7
195.11668	0.9
196.08836	1.9
196.11211	0.5
197.09705	0.5
199.11211	2.6
201.09081	1.0
201.12740	30.8
209.13312	0.9
211.11174	16.7
211.13188	0.9
213.09021	0.6
214.12199	0.9
215.10670	1.2
219.13799	7.1
226.15916	1.4
227.10681	2.2
229.12228	70.9
230.12561	1.1
232.13266	0.5
244.17017	3.6
245.11751	1.2
247.13280	24.6
254.15381	2.1
255.13951	0.5
268.13153	0.5
272.16440	4.2
288.16046	0.8
289.14359	1.3
290.17557	2.7
306.16956	1.0
322.16626	0.6
348.18036	1.6
366.19144	3.6
538.17249	0.6
594.30243	0.8
626.59888	0.6
672.33765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2918
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05505	0.8
58.26020	0.4
62.22952	0.4
67.05506	0.9
69.03403	0.6
69.07054	0.5
69.32764	3.7
69.33175	0.9
72.60645	0.4
73.60921	0.4
79.05476	0.7
81.03404	0.6
81.07043	1.2
84.02776	0.4
91.05476	0.6
93.07050	1.0
95.04980	0.9
95.08612	0.9
105.07030	0.6
107.08652	0.4
109.10142	0.8
121.10174	0.5
132.03398	0.4
137.05959	0.5
141.06950	0.5
175.61578	0.5
209.22594	0.4
232.90329	0.4
249.19437	0.4
264.12671	0.5
344.76483	0.4
360.13995	0.4
376.17084	0.6
377.17700	1.0
385.34271	0.4
391.19214	1.7
392.20123	0.9
393.20715	1.2
394.21622	0.5
404.15958	0.5
405.16650	2.9
405.21616	0.8
406.17297	0.8
406.22217	0.6
407.22708	4.2
418.18042	1.8
419.18481	3.7
420.19238	1.2
421.20328	3.3
423.22141	0.6
431.18927	0.6
433.20248	10.9
433.25385	0.7
434.21246	4.8
435.22061	5.8
436.23013	0.6
447.21716	1.9
448.18463	0.6
449.19635	6.3
461.19046	1.0
462.20609	1.3
463.21054	2.5
464.21854	0.7
475.21628	0.6
477.23138	0.5
479.20370	0.5
493.22559	1.7
495.23990	1.4
505.22681	1.2
507.24252	0.5
508.20758	0.7
509.22366	1.6
520.24780	0.7
521.26154	6.5
522.22357	3.7
523.23120	3.0
535.23450	1.8
536.24310	0.7
549.25000	4.3
565.24084	0.6
567.22015	0.9
577.24274	0.6
579.26355	1.2
580.26617	1.5
581.26984	1.9
591.26294	0.7
609.27142	14.0
610.27783	0.7
637.26709	0.7
651.27271	0.8
651.46417	0.6
669.29211	100.0
670.29401	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	670.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01859	1.9
55.05513	1.1
57.03423	2.4
61.02925	1.6
65.03946	2.0
66.91905	1.0
67.05488	1.1
68.99793	1.2
69.03431	6.4
69.07066	0.9
69.32224	3.3
69.32647	5.9
71.04994	7.1
73.02895	1.6
79.05478	1.6
81.03420	7.5
81.07043	1.5
83.04967	5.5
85.02903	23.0
87.00836	4.8
91.05479	100.0
92.05788	0.9
95.04947	1.6
97.02881	6.3
97.06549	1.1
99.04434	2.5
103.03924	1.7
103.05439	0.9
104.82185	0.9
105.01857	6.8
105.07005	3.0
107.04947	2.8
109.02878	8.3
111.04454	5.2
117.07014	1.1
121.06532	1.3
127.03916	12.8
129.05453	2.6
133.06479	2.6
134.66522	0.8
135.04369	1.3
136.06189	1.3
137.05952	2.1
139.03903	1.2
143.08502	1.2
145.04964	3.0
145.06480	1.6
145.10135	1.5
147.02812	1.1
147.06509	1.5
149.05969	1.4
150.06679	1.4
151.03906	14.4
157.04967	0.9
158.07243	1.5
159.02892	2.7
159.07988	0.9
163.03958	2.3
163.07562	1.1
165.09097	2.0
167.07088	2.0
169.04993	1.8
173.04507	0.9
173.09673	2.7
175.07553	0.9
177.05490	1.1
181.04918	1.4
189.03949	3.6
189.09036	1.1
191.07034	1.2
193.03313	1.5
193.04990	3.5
193.08609	16.1
195.06555	1.0
201.09128	4.7
203.07098	1.1
206.06567	0.8
213.03835	1.4
217.04977	1.2
231.05037	2.0
233.11734	8.4
237.07567	3.5
240.53792	0.8
241.08589	2.8
251.12813	8.7
255.08661	2.5
259.06039	2.3
259.09613	6.8
314.10507	1.3
315.10678	1.2
341.08746	1.1
359.09885	2.0
363.07162	1.6
377.10471	0.9
381.08389	1.1
399.09152	3.0
404.14410	0.9
498.45953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.6
69.43632	3.6
75.04493	0.5
81.03390	0.5
81.07055	0.7
91.05489	0.6
93.07040	0.5
105.07052	0.5
109.59870	0.3
131.08612	0.4
147.04411	0.4
177.71861	0.3
352.80832	0.4
375.16132	0.4
377.17767	0.9
378.18362	0.4
391.15286	0.9
391.19479	1.5
392.20108	0.6
393.20651	3.2
403.15359	0.5
405.16562	2.7
405.21655	0.5
406.21677	0.5
407.18378	0.8
407.23068	0.6
419.18808	3.9
420.19467	2.7
421.20197	6.3
429.17038	0.6
431.18692	0.8
433.16071	1.6
433.20404	2.4
434.21301	1.2
435.17657	0.7
445.20322	1.3
447.17316	2.8
448.18683	2.9
449.19659	5.1
450.20572	0.6
461.20016	3.0
462.20584	1.4
463.16385	0.6
463.21454	1.5
465.23273	0.5
472.18997	0.7
473.19830	1.5
475.21423	1.4
476.18539	1.6
477.19049	2.8
478.19974	0.5
489.18835	2.5
490.19763	0.7
491.20654	2.1
492.21542	0.9
494.23410	0.6
503.21045	2.1
504.22238	0.4
507.24307	4.5
509.21396	0.6
517.22662	0.5
521.25006	1.1
522.22839	0.8
523.23413	0.9
535.23456	11.3
549.25073	3.8
559.23163	1.8
563.22925	18.8
564.23297	0.9
567.25616	1.2
577.24500	4.2
578.25171	1.1
579.25867	1.2
581.27655	3.2
590.20551	0.4
591.22729	0.8
595.25470	4.9
609.27002	6.5
619.25647	1.0
623.24902	5.3
637.26367	1.6
641.29852	2.2
669.29163	100.0
670.29260	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	669.2914
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.63382	0.6
55.05506	1.5
67.05502	2.4
71.63893	0.9
79.05503	2.0
81.07053	1.2
83.78890	0.5
91.05482	2.1
93.07036	1.8
95.04983	0.9
95.08601	0.8
97.02932	0.6
105.07049	1.5
107.08615	0.8
118.64482	0.7
121.10088	0.8
133.10152	1.1
137.06010	2.4
138.64922	0.6
145.06618	0.7
154.08652	1.1
190.18488	0.6
374.08920	0.6
377.17938	0.8
379.19684	0.6
391.19305	2.2
392.20236	1.0
393.20786	1.1
405.16776	2.7
406.17780	1.0
407.18005	0.7
407.22455	4.1
419.18521	4.9
420.19571	2.3
421.20303	4.6
423.22012	1.8
433.20807	4.2
434.21127	4.3
435.22015	8.8
436.22531	1.1
445.20432	0.7
447.17807	1.8
447.22543	1.6
448.18753	1.2
449.19513	5.4
459.22070	0.9
461.19205	1.0
461.24286	0.9
462.20471	3.6
463.21265	4.0
464.21884	1.0
475.21521	1.9
476.22186	0.7
479.20920	0.8
489.23331	0.9
493.22198	1.2
507.24295	0.8
509.21915	1.1
521.25970	8.4
522.22388	1.6
523.23462	1.1
547.27167	0.8
549.24963	22.4
549.33093	1.3
550.25623	1.4
577.24707	0.8
581.28149	2.9
595.73932	0.6
609.27173	13.6
637.25763	1.1
669.29169	100.0
670.29700	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	667.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03943	8.4
55.01886	6.2
55.05268	1.5
55.05512	21.5
56.56424	1.0
57.03434	9.9
57.07075	55.6
61.02924	1.6
63.48859	1.3
65.03936	2.7
67.05504	44.5
69.03426	24.3
69.07066	19.4
71.01352	1.8
71.04991	9.0
71.08628	42.5
71.18723	3.0
74.39001	1.2
79.05492	26.9
81.03416	96.2
81.07053	55.2
83.04987	19.9
83.08616	33.9
85.02907	17.0
85.06544	3.7
85.10178	20.4
89.99767	1.3
91.05476	29.9
93.07040	19.0
95.04967	24.4
95.08605	45.4
97.02292	2.5
97.02892	26.7
97.06539	5.3
97.10159	10.0
99.04460	8.0
103.03960	1.9
103.05482	1.4
105.07038	21.1
107.04966	6.9
107.08587	8.2
107.44293	1.4
109.02878	18.0
109.06519	5.0
109.10168	15.1
111.04451	14.7
111.08086	6.7
113.06022	1.2
115.05445	2.6
117.06993	6.4
119.08576	16.8
121.06493	3.0
121.10110	9.4
123.04436	1.7
123.08062	2.4
123.11729	8.2
125.05981	1.4
125.09587	2.9
127.03925	16.8
129.05519	1.6
129.07008	10.9
131.08569	9.6
133.06538	3.6
133.10130	8.5
135.08099	1.3
135.11736	4.0
137.09673	2.2
137.13263	2.5
141.07001	2.7
142.07803	2.5
143.08551	3.7
145.06458	2.5
145.10126	4.7
147.08073	3.2
147.11697	19.5
149.06010	2.7
149.09608	4.5
153.12790	1.7
155.08542	2.1
157.06497	2.4
157.10121	8.7
159.08026	2.2
160.68640	1.2
163.11203	5.2
165.12706	7.2
169.06563	1.4
169.76427	1.3
171.08076	1.6
171.11658	1.8
173.04454	2.7
173.09686	1.9
175.07426	1.8
175.11160	14.7
181.12274	5.0
183.13757	1.7
191.10689	5.6
193.12245	41.8
199.07600	2.1
209.11665	1.8
211.13289	68.0
213.05510	1.8
227.12672	7.3
229.14549	1.9
239.23711	10.9
249.14996	3.3
267.15872	12.6
273.14929	4.1
280.15070	1.4
283.15408	2.3
285.17026	4.4
289.14621	1.6
301.14404	3.1
309.13293	1.8
313.27359	39.5
319.15714	2.0
337.16452	4.9
349.99817	1.4
355.17642	13.4
375.17902	2.7
383.27982	4.8
393.18961	3.1
411.20206	10.7
413.03226	1.6
436.21475	1.7
505.38818	8.6
523.39941	16.8
649.42615	2.4
667.31519	7.9
667.44086	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	667.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.9
55.01859	3.3
55.05510	19.0
57.03431	9.4
57.07073	52.7
59.04999	1.2
59.23928	1.1
65.03931	2.2
67.05502	38.8
68.93068	1.0
69.03428	21.9
69.07066	14.7
69.46745	7.4
69.47156	2.9
71.05002	7.5
71.08627	35.3
72.74686	1.3
79.05491	22.7
81.03413	100.0
81.07052	47.9
83.04980	14.7
83.08615	27.9
85.02904	15.7
85.06513	2.9
85.10177	16.9
87.13546	1.2
91.05476	28.7
92.05788	1.3
93.07039	18.9
93.13620	1.1
95.04955	18.4
95.08600	39.4
97.02878	27.7
97.06532	5.9
97.10178	8.5
98.20689	1.1
99.04469	7.0
99.08070	2.5
101.02390	1.4
103.05483	1.2
105.06375	2.5
105.07024	22.7
107.04968	7.2
107.08584	9.4
109.02871	21.5
109.06510	5.2
109.10154	15.2
111.04435	11.5
111.08059	7.2
115.05457	2.0
117.07030	5.0
119.08575	14.2
121.06486	3.1
121.10147	10.7
123.04435	3.9
123.08009	2.9
123.11693	8.7
127.03907	15.0
128.06244	2.0
129.06993	9.4
131.08562	8.7
133.06483	3.7
133.10127	9.0
135.04506	1.4
135.08051	3.1
137.05939	1.3
137.09604	1.9
137.13240	2.6
140.24347	1.3
141.06950	1.5
142.07822	1.4
143.08562	1.9
145.06479	1.8
145.10127	4.7
147.04388	1.6
147.08075	3.0
147.11667	21.0
149.09599	5.0
153.12769	1.6
157.06519	1.5
157.10138	10.8
159.08081	1.8
159.11743	1.8
163.11150	5.9
165.12740	10.2
171.11650	1.5
173.04512	2.8
173.09636	1.7
175.07634	1.3
175.11176	10.8
181.12233	4.6
185.13283	1.7
191.10677	4.3
193.12238	37.5
199.07472	1.8
211.13269	47.3
211.15239	2.6
217.12209	1.3
227.12869	4.6
229.14476	3.0
235.13248	2.3
237.12936	1.7
239.23727	10.0
249.14880	2.8
265.14459	2.2
267.15915	17.7
273.14972	4.7
285.17111	2.9
290.79294	1.4
291.15704	1.6
301.14316	2.1
313.27380	35.3
337.16589	7.0
355.17496	8.8
383.27887	2.5
393.19034	1.7
411.20230	12.3
505.39050	7.5
523.39850	13.8
575.22644	2.5
624.65808	1.7
635.24835	2.2
649.42865	1.7
667.44128	85.6
668.44666	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38419	1.6
59.75357	1.5
67.05501	2.6
69.27042	1.9
81.03467	1.7
81.07049	2.6
91.16109	1.9
95.08617	2.1
98.21568	4.5
157.38020	1.9
235.13243	1.8
301.14395	2.1
313.27045	1.7
338.12912	1.9
352.14676	2.0
377.17963	2.0
385.14404	2.0
389.18069	3.2
390.18024	4.1
391.19049	11.0
396.13162	1.9
398.15317	2.5
402.18442	2.4
403.19437	5.0
404.20224	3.4
405.20926	8.6
406.21677	1.7
410.11414	2.5
413.55191	1.8
418.21762	2.3
419.22394	5.5
428.16046	2.5
431.18567	2.6
432.19888	1.8
433.20248	4.8
435.18427	4.5
445.20013	2.1
447.21912	6.4
448.22980	1.9
449.19913	4.2
450.20676	2.8
461.19891	6.7
462.24475	1.9
463.21536	6.4
464.22366	2.4
465.22894	9.5
473.19620	5.1
477.23248	3.4
479.20792	3.6
487.21451	3.7
488.19296	2.2
489.19055	2.0
491.20932	3.7
493.22086	34.1
501.19427	9.5
515.20856	9.4
516.21698	3.4
519.23761	2.8
521.25549	17.0
529.22571	2.6
533.22119	4.2
537.25354	1.8
547.23358	6.4
551.27191	12.1
552.26971	2.8
561.21649	2.5
563.21704	1.9
565.24438	28.2
575.23083	10.4
576.23938	2.0
579.25836	21.3
580.26776	100.0
581.27130	6.1
607.25482	57.9
608.25574	5.0
617.23328	1.9
635.24957	36.3
639.28192	10.8
649.26343	13.0
667.27661	91.7
668.27887	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	665.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01859	1.6
57.03426	1.4
61.02913	1.5
63.24135	0.4
65.03932	0.4
66.04713	0.5
69.03429	6.6
70.06593	0.6
70.77689	1.5
71.04987	1.2
73.02921	1.1
77.03903	0.4
79.05491	1.4
81.03409	2.2
81.07067	0.7
85.02904	16.4
85.03434	0.8
86.09712	0.8
87.04482	1.0
91.05474	2.9
94.04172	2.5
97.02885	4.4
97.84130	0.5
99.04453	0.7
103.03939	0.5
103.05453	3.4
104.06251	0.8
105.07017	2.7
107.04970	1.2
109.02892	1.2
109.06502	2.2
112.22576	0.4
115.05454	3.1
117.07008	1.7
119.08591	2.1
122.03646	5.3
124.74306	0.4
127.03933	3.1
128.06223	1.9
129.06973	2.3
131.04927	5.4
132.05676	2.9
133.06512	3.1
137.05972	100.0
138.06337	0.9
139.03900	0.5
141.06955	1.3
143.04953	1.0
144.05644	0.6
145.04958	1.8
145.06454	0.9
146.03636	0.9
147.04395	1.5
147.08031	4.8
149.05984	1.7
155.04900	0.7
159.08067	1.3
160.05217	2.5
161.04643	0.7
161.05983	14.5
163.04028	0.5
163.07542	11.4
167.06987	0.6
169.06444	1.3
171.08040	0.8
172.05219	0.9
175.07544	55.6
177.05432	0.6
179.07045	1.7
184.05238	1.6
187.07524	7.6
188.08350	0.4
189.07019	0.5
189.09077	1.3
190.07835	1.5
191.08556	4.4
199.07536	9.1
201.09053	1.9
202.07736	2.8
203.08565	6.2
205.06511	1.6
205.08467	0.5
211.07588	0.5
217.08600	1.4
218.07280	1.1
219.08035	9.0
220.08801	2.3
231.08067	7.1
232.08804	1.7
233.09601	0.8
235.11154	1.1
236.08293	1.4
237.09218	0.8
247.07516	4.4
248.08319	3.6
249.09120	0.9
251.10670	10.4
259.07556	4.5
260.08322	1.7
261.09192	0.9
263.10663	5.2
264.07861	1.1
265.08633	1.1
273.09378	0.6
275.07104	0.6
276.07816	2.8
277.08545	1.8
279.10168	7.5
280.11017	1.2
291.10138	15.9
292.10938	3.0
293.08051	1.4
295.10043	0.7
295.13336	1.4
296.10382	0.7
308.10342	1.6
311.12769	26.7
315.10117	0.6
323.12778	30.3
325.14349	4.1
341.13937	1.7
360.56741	0.5
473.08444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.6
65.53616	1.1
67.05486	1.3
69.83081	5.9
86.12391	1.1
88.54122	1.1
91.19550	1.1
92.80476	1.0
96.33775	1.0
97.84278	1.2
98.20824	1.5
110.56564	1.0
186.38176	1.3
189.47037	1.1
209.10689	1.3
279.37619	1.1
363.15869	1.4
377.17627	6.8
378.18219	2.3
389.17963	1.6
390.18256	1.7
391.19052	9.6
392.19733	6.2
403.19360	1.7
405.20737	4.8
406.21426	2.6
407.22189	8.6
419.18509	4.9
420.19022	3.1
421.16104	1.5
431.18875	2.0
433.19989	4.7
434.20932	6.0
435.21970	10.5
444.15820	1.6
445.20679	1.5
446.21265	1.5
447.17331	1.3
447.22253	2.0
448.22720	1.9
451.21198	7.5
458.17538	1.4
459.17682	5.3
461.19638	4.2
463.24814	1.6
465.22675	3.6
473.19595	2.5
474.20282	4.6
477.19171	1.4
479.20740	33.1
487.18015	1.6
489.22559	4.1
491.24304	1.9
493.22458	8.0
494.22601	2.6
501.19125	6.7
502.19861	2.9
505.18323	8.5
506.19211	1.9
515.20605	5.9
516.21265	2.3
517.22357	76.3
518.22632	3.4
519.23792	1.7
521.25513	2.8
547.22974	2.9
549.24994	69.2
550.25385	2.2
565.24353	4.0
575.23022	9.0
580.26648	2.2
593.23920	15.8
607.25366	7.6
608.26276	13.3
635.25006	100.0
636.25183	3.3
667.27191	44.9
668.27454	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	664.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01856	1.8
55.05492	2.2
67.05499	4.0
69.03410	1.0
69.07056	1.1
69.84345	3.7
71.04970	1.0
73.02898	2.7
79.05487	3.4
80.05746	0.7
81.03397	0.8
81.07048	4.1
83.04991	0.7
85.01127	0.6
85.06528	1.1
87.91895	0.5
91.05463	7.0
91.05996	0.7
93.07032	4.5
95.04946	1.1
95.08585	2.2
97.01095	1.1
97.06518	0.7
98.20765	0.6
99.02691	0.5
103.05458	0.9
105.07021	14.1
107.08588	3.5
108.08880	0.6
109.06537	0.8
109.10155	1.2
111.02602	0.9
115.05430	2.7
117.07008	4.5
119.04930	0.5
119.08567	6.3
121.06512	1.2
121.10133	1.5
128.06207	7.2
129.06998	8.0
130.07761	1.9
131.08557	13.2
133.06506	1.3
133.10092	2.0
135.07970	1.0
141.06982	6.2
142.07770	17.4
143.08551	18.3
144.09338	2.5
145.06490	2.7
145.10088	7.8
147.08000	1.6
147.11667	1.6
149.05981	0.8
152.06174	1.1
153.06976	6.2
154.07756	1.8
155.08545	13.0
156.09331	2.8
157.10118	36.7
158.10854	1.2
159.08098	3.8
159.11682	10.9
161.04211	1.4
161.09613	0.8
163.05779	0.7
165.06989	1.1
166.07695	0.8
167.08560	2.2
168.09337	19.6
169.10098	8.8
170.10838	1.6
171.08029	1.6
171.11694	4.8
173.04083	0.5
173.06050	2.8
173.09659	1.2
173.13240	5.3
174.04990	0.6
175.05753	3.1
175.07326	0.8
175.11166	4.5
177.07355	0.6
177.09180	0.8
181.06476	0.8
181.10110	4.8
182.10936	1.0
183.11679	50.3
184.12219	1.3
185.09692	1.1
185.13239	30.4
187.05884	1.0
187.07538	2.4
187.11201	7.9
187.14742	0.6
189.07385	1.0
189.09084	1.8
193.06413	0.5
193.08542	1.3
193.10123	1.8
195.08047	0.7
195.11700	1.4
196.08789	1.3
196.12396	1.5
199.11156	3.3
201.07397	1.0
201.12714	12.2
203.08807	0.9
211.11147	5.4
215.08849	1.7
215.10681	0.6
217.10428	1.6
217.12251	3.0
219.13829	0.6
227.10779	2.8
229.12227	100.0
230.12663	0.9
235.11475	0.9
247.11340	0.9
247.13370	5.6
250.41586	0.6
261.09317	1.1
263.11063	1.0
275.10968	0.9
293.12042	0.8
316.59052	0.6
333.85596	0.5
379.20114	0.7
415.40747	0.5
463.22781	0.9
491.22391	1.8
509.23700	1.5
551.24396	1.7
569.25623	3.2
587.26746	1.5
664.43060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.1
57.03181	0.8
57.03434	8.3
57.07076	18.3
59.04984	2.3
61.02919	3.1
67.05504	45.8
69.03417	1.0
69.07066	4.1
69.54916	1.3
69.55319	4.2
71.04985	1.4
71.08629	12.4
79.05475	1.2
81.07059	11.7
82.97507	0.5
83.08614	6.4
85.02909	3.1
85.06522	2.1
85.10177	5.9
89.06026	0.8
91.03938	1.0
91.05467	2.5
93.07037	1.9
95.08604	8.7
97.02870	1.4
97.10141	1.6
98.20734	0.7
99.22749	0.5
107.08601	1.3
109.10155	40.1
111.08062	1.4
119.08606	3.4
123.08103	0.7
123.11669	1.7
137.09630	1.7
149.96606	0.5
155.10638	2.2
159.15370	0.5
173.11748	13.0
173.13174	0.5
210.07664	0.7
214.05507	0.6
229.14348	100.0
239.23810	0.9
250.98152	0.7
257.24710	0.6
306.63443	0.7
313.27359	78.6
314.27747	0.8
354.38205	0.5
401.53317	0.7
449.98276	0.5
467.37329	65.8
468.37244	0.7
629.31415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01872	3.0
55.05516	16.4
56.90745	2.1
57.03439	17.5
61.02920	3.7
67.05502	41.3
67.42010	1.8
69.03436	4.2
69.07076	11.5
69.52506	6.8
69.52919	11.6
71.04984	6.0
78.45592	1.8
79.05492	43.7
79.99171	2.1
81.03415	55.3
81.07058	30.9
83.04984	17.8
83.08615	18.4
85.02911	14.2
85.06548	5.8
91.05478	33.3
93.07041	50.3
95.04977	26.6
95.08601	9.3
97.02892	5.9
97.06530	11.9
97.10159	11.3
105.07035	18.7
107.04969	5.4
107.08594	23.7
109.06522	5.2
109.10164	5.2
111.04517	2.7
111.08092	7.9
113.06059	2.9
117.07044	4.8
119.08584	18.4
121.10138	9.9
129.07011	11.3
131.08565	5.7
133.06451	2.7
133.10147	14.8
135.11690	39.0
137.02301	2.4
137.09738	2.7
141.24820	2.1
142.07777	2.6
143.08508	2.5
145.10164	7.5
147.11700	11.2
147.83954	2.0
149.09648	5.9
157.10115	12.0
163.11234	5.6
175.11183	10.3
181.12321	8.6
193.12251	29.0
211.13266	46.4
255.15916	68.7
255.18544	4.6
267.15860	21.6
285.16919	22.9
372.38123	2.3
401.15921	2.5
402.16513	4.5
416.14087	3.1
429.15277	2.9
430.15872	9.1
431.16699	11.9
432.17572	23.4
433.17935	5.7
444.13019	4.9
444.17825	9.5
445.18137	9.2
447.20651	3.2
447.27377	52.3
447.33124	3.5
457.15073	4.5
458.15213	26.6
459.14990	4.7
465.28510	77.5
468.17618	2.4
469.18317	4.8
472.17041	16.9
473.17667	16.2
474.18134	3.2
476.20758	3.6
483.16425	3.4
484.17255	3.2
486.15845	3.1
489.18060	3.2
490.17767	3.5
497.18207	6.1
498.18405	12.8
499.18295	4.5
500.16528	4.5
501.17514	3.1
504.19662	3.3
515.18848	3.6
518.21149	3.3
525.17310	4.6
532.21985	2.6
557.19794	10.9
559.21759	2.9
561.23340	2.6
570.20215	5.0
591.24030	6.8
598.20538	7.4
619.23499	54.2
620.24060	38.6
621.24323	6.1
630.22729	40.7
631.22357	10.2
647.69299	2.5
662.25415	100.0
663.25269	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	661.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.81898	1.0
58.06600	1.5
59.13648	0.8
67.05502	2.7
69.03442	1.0
69.07072	1.2
71.62404	1.5
77.08389	0.7
79.05489	2.1
81.03418	1.4
81.07074	3.5
85.02904	1.8
91.05473	2.6
93.07050	2.2
95.04967	0.8
95.08591	1.7
97.02891	1.3
97.06551	3.1
105.07024	3.2
107.04951	1.0
107.08575	1.4
109.10175	1.1
111.04466	1.8
117.07005	1.8
119.08593	1.4
121.10119	1.3
129.06992	1.0
131.08536	1.8
135.04436	1.0
157.10150	1.6
159.11655	1.3
163.03912	2.8
165.09035	1.2
171.08159	0.9
175.11241	1.4
183.11665	0.9
187.07510	0.8
211.07486	0.8
215.34662	0.9
329.17285	1.0
355.11124	1.1
373.70590	0.9
386.14136	0.8
388.15671	1.2
392.16074	1.4
394.17850	1.0
401.16266	2.6
405.15918	1.3
413.12314	1.3
415.13599	1.7
415.18384	1.6
416.14883	3.2
416.19421	1.4
419.17563	2.2
429.15387	7.6
430.16046	5.0
431.17270	12.4
432.17722	1.8
434.18936	1.0
439.90802	1.2
442.16504	2.6
443.12790	2.5
443.18283	4.5
444.13098	1.1
444.18176	11.6
445.19507	1.8
447.17014	1.2
453.15738	1.9
454.16766	2.3
455.17065	3.3
456.17926	3.3
457.14438	22.5
458.15604	3.0
459.16296	1.3
468.18021	2.5
469.19006	4.5
471.16318	10.2
472.17468	28.4
473.18387	4.7
475.20364	1.2
482.16095	2.3
483.16238	1.2
485.18314	2.0
490.18552	1.7
496.17178	2.6
497.18274	7.4
498.18439	1.3
499.16461	1.4
500.17419	2.1
501.17688	1.3
503.19312	1.8
504.20389	1.1
515.19244	3.7
516.20453	1.6
517.20813	1.5
524.17102	1.8
528.17395	0.9
531.22742	8.7
556.19470	6.3
557.21118	1.2
558.20667	1.1
559.21875	51.1
560.22107	5.6
569.20349	1.5
587.21692	5.7
590.23914	2.8
597.19348	2.0
618.23108	13.5
619.23999	100.0
620.24640	6.2
629.22571	13.5
630.23273	1.2
661.25049	89.5
662.25696	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	661.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.81371	0.7
57.03419	1.0
67.05504	1.8
69.03433	1.3
71.64114	1.1
71.64501	1.2
79.05489	1.3
81.03428	1.5
81.07048	2.0
83.08631	1.1
85.02876	1.4
89.92587	0.8
91.05474	2.3
93.07055	1.5
95.08591	1.7
97.06542	1.6
105.07022	2.1
107.08593	1.7
116.06203	0.8
119.08575	1.3
143.08607	1.5
163.03891	0.8
289.58148	0.8
315.83759	1.0
387.14731	1.2
388.15723	1.4
389.16266	1.5
392.15857	1.3
401.16190	3.5
403.17706	1.4
404.18466	1.2
406.17450	1.1
411.14447	0.9
413.12064	1.1
415.13422	2.5
415.18521	5.6
416.14502	5.1
419.17032	4.2
425.16107	1.0
428.14676	2.1
429.15591	7.4
430.16251	4.9
431.17245	25.3
431.22696	1.8
432.17780	2.2
433.19312	1.4
439.13971	1.0
440.14423	1.1
442.12506	1.6
443.13028	4.3
443.17380	6.7
444.18585	9.0
445.14807	1.8
447.16745	2.1
448.15933	0.9
453.15768	2.2
454.16544	2.0
456.13690	1.3
457.14935	29.0
458.15762	3.6
467.17969	1.1
468.18375	4.6
469.19238	4.0
471.16522	9.3
472.17358	14.5
473.18814	1.3
474.15088	1.6
475.20364	5.6
481.14697	1.6
482.15567	6.6
483.16837	2.7
485.14401	1.3
488.17209	2.3
489.18091	3.9
495.16794	1.2
496.17526	4.1
497.18152	22.7
498.18585	3.1
499.16525	2.9
500.16647	2.4
503.19299	2.6
504.20331	2.1
511.19934	1.2
513.17700	1.8
514.18518	2.5
515.19275	3.1
517.20654	2.9
524.16803	6.2
528.20258	3.1
529.21161	1.6
531.19037	1.5
543.17914	1.0
555.18121	1.0
556.19482	18.7
557.20386	1.6
558.20776	4.8
559.21527	1.3
560.22949	2.0
562.20502	1.2
569.20361	3.9
570.20789	1.2
587.20990	4.4
590.23730	5.0
597.19769	7.1
601.23315	1.3
605.93542	0.9
618.23230	42.9
619.23950	28.3
620.24731	1.3
629.22430	41.1
630.22699	2.5
647.23358	1.3
650.78217	1.0
661.25037	100.0
662.24841	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	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75803	1.2
53.03952	5.8
54.81495	1.1
55.01863	5.7
55.05516	13.5
57.03183	1.8
57.03439	20.0
57.07062	2.2
59.04996	1.2
61.02926	82.9
65.03922	3.6
65.98092	1.3
67.05502	42.1
69.03072	1.9
69.03429	30.8
69.07060	11.0
70.24599	2.7
70.24997	3.1
71.01344	4.3
71.04993	5.5
71.08627	2.2
73.02917	26.4
75.04479	2.4
79.05049	2.0
79.05492	26.8
81.03416	24.2
81.07056	42.3
83.04967	5.3
83.08610	6.3
85.02901	100.0
85.06521	1.5
87.04459	3.7
91.03955	59.4
91.05474	20.7
93.06459	1.9
93.07043	33.1
95.04984	6.7
95.08604	30.8
97.02885	71.1
97.06501	3.5
97.10137	1.7
99.04469	12.7
99.08087	2.0
101.02374	7.3
103.03938	8.1
105.07024	17.5
107.04957	2.1
107.08585	18.3
109.02874	13.1
109.06493	3.3
109.10150	14.3
111.04431	4.6
111.08096	1.9
115.03928	7.1
117.05478	2.8
117.06997	4.7
119.08571	13.3
121.10137	16.5
123.08071	2.6
123.11687	5.8
125.09592	1.3
127.03922	31.8
129.05501	6.3
129.07001	2.6
131.08560	11.3
133.10104	13.0
135.08049	2.3
135.11702	9.7
137.05991	1.5
137.09598	1.7
137.13289	1.4
143.08533	2.9
145.04958	23.6
145.10135	8.5
147.11655	6.9
149.02226	1.3
149.09641	2.8
149.13260	7.8
151.11230	2.1
156.46074	1.4
157.10127	3.2
159.06613	1.6
159.07991	1.3
159.11728	7.4
161.13245	4.9
162.24577	1.2
163.06003	8.3
163.11176	1.7
163.14827	3.0
165.12776	1.3
169.04872	1.2
171.06561	1.9
171.11693	2.8
173.13229	6.3
175.14810	1.6
179.14320	2.8
183.06523	6.8
183.11569	2.2
185.09657	1.3
185.13263	2.3
187.14786	2.6
199.11282	1.4
201.07603	4.0
201.16406	2.2
211.11194	1.3
219.08748	1.4
241.19652	1.2
243.21104	3.1
259.20593	3.8
261.22137	17.2
275.09778	1.2
275.19998	3.5
277.21710	3.8
293.20880	1.4
303.23062	2.2
311.16302	1.2
327.23337	1.4
333.24255	1.4
335.25787	65.0
336.26355	1.3
345.24387	1.2
357.24591	1.3
363.25174	3.2
369.24042	3.1
394.83066	1.3
443.27905	3.1
461.28781	2.5
479.29828	7.5
481.95181	1.3
497.30698	2.1
543.36652	2.3
561.37299	5.6
591.19220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.6
55.01868	6.5
55.05506	11.3
57.03439	27.3
57.07071	1.7
58.21978	1.2
59.04991	1.8
59.93762	1.0
61.02926	87.0
63.89878	1.1
65.03925	3.5
67.05507	49.6
69.03082	2.3
69.03431	35.1
69.07056	10.6
69.78060	4.8
69.78496	4.5
70.06585	3.4
71.01344	4.1
71.04990	4.7
73.02921	31.4
75.04478	2.7
79.05060	2.5
79.05495	31.7
79.70631	1.2
81.03420	27.3
81.07055	48.9
83.04980	5.1
83.08613	4.1
85.02905	100.0
87.04467	4.6
88.07647	1.5
91.03954	59.3
91.05475	21.9
93.07043	35.6
95.04972	6.3
95.08607	40.2
97.02889	76.6
97.06548	3.0
97.10161	1.6
98.20770	2.8
99.04448	13.9
101.02403	8.4
103.03949	9.0
105.04504	1.3
105.07026	14.2
107.04935	1.4
107.08591	18.6
109.02880	15.8
109.06490	2.8
109.10155	17.9
111.04420	3.2
111.08083	1.7
115.03926	6.9
117.05495	2.5
117.07018	4.0
119.08584	11.7
121.06507	1.5
121.10133	18.6
123.08099	1.8
123.11707	8.1
125.09619	1.6
127.03913	39.9
129.05487	5.2
129.06949	1.7
131.08545	9.6
133.10127	11.2
135.11696	11.6
143.08554	2.1
145.04970	22.1
145.10133	8.5
147.11694	10.0
149.02365	2.3
149.09608	2.1
149.13252	8.3
157.10208	1.6
159.06548	2.7
159.11684	8.7
161.13271	6.5
163.06024	5.1
163.14818	5.1
165.12878	2.0
169.10110	1.7
171.06491	2.4
171.11716	2.3
173.13258	8.2
175.14787	2.0
177.12830	1.7
183.06534	11.2
185.13313	1.6
186.45357	1.3
187.14804	3.7
193.04929	3.5
194.05365	1.6
199.14914	2.5
201.07555	9.9
213.12804	1.2
219.08475	1.7
233.15494	1.2
243.21143	6.1
257.26694	1.6
259.20844	1.4
261.22150	20.4
299.23492	1.7
303.23166	3.6
315.23489	1.8
317.24542	1.6
335.25793	86.5
336.26361	2.8
363.25394	3.5
369.24210	3.6
377.26804	1.9
393.16516	1.3
443.28085	2.5
461.29196	2.4
479.30069	7.7
492.24344	1.2
497.30911	2.0
649.57013	1.5
659.36230	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	659.2349
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01873	1.6
55.05504	2.9
57.07073	1.9
62.77156	0.8
63.56302	0.7
63.58949	0.8
67.05495	7.3
69.07060	3.6
70.62017	0.8
71.08617	1.4
71.64705	0.8
78.70027	0.7
79.05498	4.6
81.03437	1.9
81.07050	7.6
83.04977	1.5
83.08611	2.1
91.05463	5.0
93.07039	5.8
95.04976	2.1
95.08601	4.9
95.14718	0.8
97.06541	1.7
99.08078	1.1
105.07038	3.2
107.04953	1.3
107.08591	3.9
109.06515	1.4
109.10171	2.2
111.08089	1.2
115.05556	0.8
117.06982	1.8
119.08600	2.6
121.10138	2.7
123.08094	1.3
129.06993	1.8
131.08568	2.4
133.06506	1.1
133.10104	2.0
135.08008	0.9
135.11717	0.9
137.05974	2.3
137.09549	0.8
143.08569	1.5
147.08118	0.8
147.11644	1.2
149.95212	0.8
151.11209	1.1
155.08577	1.0
157.10136	0.9
158.72829	0.7
159.11737	0.8
161.05998	1.2
161.13309	1.1
171.11653	1.0
173.05939	1.1
173.13237	0.9
175.07571	1.0
175.11201	1.2
181.06561	1.2
183.08131	1.1
193.12352	0.8
199.07576	3.2
201.08920	0.9
275.20151	2.6
277.21552	0.9
291.19547	1.3
293.21133	1.6
303.16098	1.1
311.16583	1.8
313.27393	2.4
329.17590	2.1
349.23535	0.9
377.35083	0.9
385.13040	2.3
385.20068	1.7
386.13690	1.5
398.13586	1.0
399.14310	5.1
400.15408	7.5
401.15952	1.3
403.21136	1.9
408.12015	0.9
409.13046	1.8
410.14813	1.0
411.15662	0.9
412.15295	1.5
413.16162	2.6
414.17215	5.3
421.12885	2.3
422.13745	7.1
423.14505	7.3
424.15479	2.7
425.16583	1.1
426.17752	0.8
427.13467	1.0
428.18658	2.0
429.19305	3.5
435.14587	4.9
436.15396	9.2
437.16217	11.7
438.16870	2.4
439.17654	1.5
440.14816	0.9
441.15659	2.2
442.16599	1.2
443.17383	1.1
449.16156	2.5
450.17261	5.6
451.18402	7.1
452.01736	0.8
452.19019	5.2
453.15808	0.9
455.12747	1.3
455.18173	1.3
456.17599	1.8
457.16385	1.1
463.13751	1.3
464.14313	3.8
465.15320	3.8
465.19891	3.7
466.16562	1.7
466.29910	0.8
467.17633	4.0
468.18082	1.5
469.15173	3.5
470.16174	2.9
477.15723	2.2
478.16534	4.1
479.17450	4.5
480.18341	6.8
481.18930	2.5
482.15808	2.6
483.16800	3.2
484.17108	2.5
487.34174	0.9
492.13806	0.9
493.19067	13.2
494.15378	2.4
494.19577	3.6
495.16266	5.6
496.17514	2.1
497.18152	1.3
498.15295	3.1
506.15909	1.8
507.16763	3.9
508.17487	7.7
509.18378	7.2
510.15155	1.3
511.20877	3.8
512.16748	10.9
513.17621	1.7
515.19354	1.4
516.16901	0.9
516.23938	1.8
521.18237	15.0
522.16144	4.9
523.20013	0.8
525.22021	1.7
526.14996	2.0
538.18335	1.3
539.19379	4.5
540.19495	3.3
543.22791	4.3
549.18079	1.6
553.20752	24.5
561.37537	2.6
563.18756	0.9
567.18091	1.0
571.21924	4.7
572.21985	4.4
581.20337	55.9
582.20721	3.1
594.23529	1.6
599.21167	24.2
600.21704	4.8
609.19055	1.5
613.22949	31.1
614.23389	0.9
622.22949	6.6
627.20941	1.5
631.24152	6.3
641.22424	100.0
642.22931	6.4
659.23419	36.1
659.44202	1.1
660.23547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.95670	0.7
55.01873	1.4
55.05499	1.3
57.03417	0.7
64.12732	0.6
65.03941	7.3
67.05492	4.7
69.03428	3.2
69.07042	0.7
69.08405	0.6
70.06573	2.6
70.22807	2.6
71.04987	1.0
72.08165	1.0
77.82957	0.7
78.43805	0.6
79.05488	4.1
81.03397	2.2
81.07030	1.8
82.04181	2.7
83.04965	1.4
84.08130	2.9
85.02903	6.1
86.09691	1.1
91.05476	3.5
93.03401	0.9
93.07056	1.8
95.04969	3.5
95.08614	1.6
97.02897	2.0
97.06535	8.1
98.06849	0.9
103.05469	2.0
105.07025	3.2
107.04945	5.7
107.08577	1.7
108.02063	1.5
109.06499	1.6
109.10122	0.9
110.03649	2.7
111.04417	1.6
115.05450	4.0
117.06996	3.1
119.04964	1.7
119.08537	2.2
121.02843	1.0
121.06450	1.3
121.10165	0.9
123.04414	2.8
124.05171	1.5
125.05970	3.6
127.03918	1.7
128.06250	1.4
129.07001	1.1
131.04907	1.9
132.05670	1.6
133.06479	3.8
135.04446	1.1
137.05989	5.2
138.03148	2.2
139.03917	1.2
140.04620	0.8
142.02585	1.9
143.04932	1.3
144.05659	0.8
145.06538	3.7
147.04387	2.0
147.08029	3.1
149.05983	1.2
151.07506	1.2
152.04742	0.7
153.05458	2.9
156.05666	0.8
156.13875	0.8
157.06525	1.4
158.67268	0.7
160.05167	1.5
161.06020	6.8
163.03909	1.9
163.07561	0.8
165.05496	2.5
165.06924	0.7
165.09111	1.2
166.02495	0.8
167.07039	13.9
167.08392	1.3
171.06578	5.3
172.05185	2.0
173.05975	3.6
175.07541	4.1
176.04747	1.5
177.05463	1.8
179.07037	1.5
180.07826	1.4
181.04958	100.0
182.05299	1.7
185.06079	0.8
187.07463	1.6
189.05457	3.0
189.09073	1.4
191.06999	3.2
192.07790	1.5
193.04956	1.4
193.08653	3.7
195.06572	1.1
203.07030	2.1
205.08597	3.8
207.06396	3.2
207.08310	1.0
207.10207	2.1
208.07253	1.1
209.08072	1.6
211.09622	0.9
215.06976	0.9
217.08640	5.1
218.05792	1.9
219.06340	3.5
221.06123	1.0
221.08070	7.5
223.07524	1.4
225.07603	3.2
229.05013	1.0
231.06541	1.6
233.05824	1.3
233.08067	14.2
233.11612	3.9
234.12021	1.7
235.07578	1.6
235.09630	9.3
241.08545	1.2
247.07439	0.9
249.05405	1.1
249.07631	2.2
251.06937	1.0
261.07501	7.2
262.06183	1.2
263.06976	2.2
264.07840	1.5
265.08594	1.5
267.06586	1.1
269.08090	0.8
277.05045	0.7
277.08658	1.4
278.05652	0.8
279.06284	0.8
279.08600	8.9
280.10291	0.8
282.08875	1.1
285.12219	0.9
286.08267	0.8
292.07401	1.4
293.08090	1.7
295.06174	1.3
295.09488	1.7
297.21603	1.6
299.09198	0.9
307.06061	1.4
307.09695	1.4
309.07538	1.8
309.11041	1.4
313.10956	0.9
313.92999	0.8
321.07632	0.9
323.09265	2.0
327.12253	1.0
328.09082	0.8
331.11810	0.9
337.10645	1.6
338.07706	0.9
339.08603	1.3
343.11743	1.7
351.08722	1.5
353.10284	5.8
359.11276	1.3
365.10071	1.9
370.10239	1.2
371.11459	1.2
373.12607	1.2
383.11316	3.8
385.12662	7.3
387.14590	1.5
397.12820	3.4
401.12372	3.6
403.13913	7.1
415.13873	37.3
416.14456	1.4
417.15582	1.8
433.14975	3.8
440.14587	0.8
459.16391	1.3
467.15936	0.9
488.17752	0.9
498.51501	0.8
627.23175	0.8
641.22046	2.8
659.19507	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	659.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.95670	0.7
55.01873	1.4
55.05499	1.3
57.03417	0.7
64.12732	0.6
65.03941	7.3
67.05492	4.7
69.03428	3.2
69.07042	0.7
69.08405	0.6
70.06573	2.6
70.22807	2.6
71.04987	1.0
72.08165	1.0
77.82957	0.7
78.43805	0.6
79.05488	4.1
81.03397	2.2
81.07030	1.8
82.04181	2.7
83.04965	1.4
84.08130	2.9
85.02903	6.1
86.09691	1.1
91.05476	3.5
93.03401	0.9
93.07056	1.8
95.04969	3.5
95.08614	1.6
97.02897	2.0
97.06535	8.1
98.06849	0.9
103.05469	2.0
105.07025	3.2
107.04945	5.7
107.08577	1.7
108.02063	1.5
109.06499	1.6
109.10122	0.9
110.03649	2.7
111.04417	1.6
115.05450	4.0
117.06996	3.1
119.04964	1.7
119.08537	2.2
121.02843	1.0
121.06450	1.3
121.10165	0.9
123.04414	2.8
124.05171	1.5
125.05970	3.6
127.03918	1.7
128.06250	1.4
129.07001	1.1
131.04907	1.9
132.05670	1.6
133.06479	3.8
135.04446	1.1
137.05989	5.2
138.03148	2.2
139.03917	1.2
140.04620	0.8
142.02585	1.9
143.04932	1.3
144.05659	0.8
145.06538	3.7
147.04387	2.0
147.08029	3.1
149.05983	1.2
151.07506	1.2
152.04742	0.7
153.05458	2.9
156.05666	0.8
156.13875	0.8
157.06525	1.4
158.67268	0.7
160.05167	1.5
161.06020	6.8
163.03909	1.9
163.07561	0.8
165.05496	2.5
165.06924	0.7
165.09111	1.2
166.02495	0.8
167.07039	13.9
167.08392	1.3
171.06578	5.3
172.05185	2.0
173.05975	3.6
175.07541	4.1
176.04747	1.5
177.05463	1.8
179.07037	1.5
180.07826	1.4
181.04958	100.0
182.05299	1.7
185.06079	0.8
187.07463	1.6
189.05457	3.0
189.09073	1.4
191.06999	3.2
192.07790	1.5
193.04956	1.4
193.08653	3.7
195.06572	1.1
203.07030	2.1
205.08597	3.8
207.06396	3.2
207.08310	1.0
207.10207	2.1
208.07253	1.1
209.08072	1.6
211.09622	0.9
215.06976	0.9
217.08640	5.1
218.05792	1.9
219.06340	3.5
221.06123	1.0
221.08070	7.5
223.07524	1.4
225.07603	3.2
229.05013	1.0
231.06541	1.6
233.05824	1.3
233.08067	14.2
233.11612	3.9
234.12021	1.7
235.07578	1.6
235.09630	9.3
241.08545	1.2
247.07439	0.9
249.05405	1.1
249.07631	2.2
251.06937	1.0
261.07501	7.2
262.06183	1.2
263.06976	2.2
264.07840	1.5
265.08594	1.5
267.06586	1.1
269.08090	0.8
277.05045	0.7
277.08658	1.4
278.05652	0.8
279.06284	0.8
279.08600	8.9
280.10291	0.8
282.08875	1.1
285.12219	0.9
286.08267	0.8
292.07401	1.4
293.08090	1.7
295.06174	1.3
295.09488	1.7
297.21603	1.6
299.09198	0.9
307.06061	1.4
307.09695	1.4
309.07538	1.8
309.11041	1.4
313.10956	0.9
313.92999	0.8
321.07632	0.9
323.09265	2.0
327.12253	1.0
328.09082	0.8
331.11810	0.9
337.10645	1.6
338.07706	0.9
339.08603	1.3
343.11743	1.7
351.08722	1.5
353.10284	5.8
359.11276	1.3
365.10071	1.9
370.10239	1.2
371.11459	1.2
373.12607	1.2
383.11316	3.8
385.12662	7.3
387.14590	1.5
397.12820	3.4
401.12372	3.6
403.13913	7.1
415.13873	37.3
416.14456	1.4
417.15582	1.8
433.14975	3.8
440.14587	0.8
459.16391	1.3
467.15936	0.9
488.17752	0.9
498.51501	0.8
627.23175	0.8
641.22046	2.8
659.19507	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	657.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53185	2.2
51.28438	2.1
53.03949	11.5
55.01872	16.4
55.05514	37.2
57.03436	25.6
57.07071	9.1
65.03919	4.9
67.05505	100.0
69.03426	5.4
69.07069	35.9
69.29370	30.8
71.04980	7.9
71.08635	4.3
79.05063	5.2
79.05490	69.0
79.83540	2.3
81.03423	13.1
81.07056	83.2
83.04963	12.8
83.08620	16.8
85.06528	8.1
91.05481	84.7
93.06469	5.4
93.07042	67.8
93.07629	3.8
93.95033	2.2
94.43047	2.0
95.01283	3.1
95.04970	43.5
95.08607	45.6
97.02883	2.9
97.06509	18.4
97.10154	8.7
103.05473	5.2
105.07031	61.2
107.04964	34.4
107.08593	38.9
109.06503	31.8
109.10150	22.4
111.04411	5.0
111.08067	6.9
112.05264	2.9
113.05995	12.2
115.05466	6.0
117.07014	35.5
119.04928	3.3
119.08581	47.0
121.06491	16.2
121.10144	20.8
121.96037	2.4
123.04462	3.4
123.08054	11.7
123.11711	5.0
125.05972	3.0
125.09637	10.0
128.06241	6.7
129.07001	19.9
129.66180	2.4
131.08574	41.4
133.06471	10.8
133.10130	33.1
135.08058	17.4
135.11681	18.6
137.05984	3.9
137.09595	7.4
141.06987	8.5
143.08580	23.0
145.06474	11.6
145.10110	31.7
147.08063	16.4
147.11690	21.5
149.09567	13.0
149.13228	8.3
151.07481	2.4
151.11185	5.6
153.07047	2.9
153.12692	2.7
155.08553	13.1
156.09177	2.6
157.10115	16.4
159.08075	6.6
159.11674	20.8
160.12370	2.9
161.09622	10.6
161.13277	9.9
162.10393	2.8
163.11163	12.9
165.06921	2.3
165.09082	4.2
167.08551	4.0
169.10141	9.8
171.08012	3.1
171.10440	2.7
171.11696	15.1
173.05984	3.8
173.09682	4.0
173.11897	2.5
173.13300	12.4
175.11191	8.8
175.14815	4.2
177.12820	4.6
179.08595	2.6
179.14339	4.6
181.06537	2.3
181.10161	7.3
182.10960	2.3
183.11624	5.8
185.09601	3.4
185.13274	9.4
187.07758	2.4
187.11168	7.4
187.14810	5.9
189.12804	3.4
193.10153	3.5
195.11754	7.3
195.13780	3.4
197.13234	8.1
199.07535	3.1
199.11089	3.7
199.14755	5.7
201.12714	4.7
205.12253	4.9
207.11717	4.9
209.13301	4.4
213.16394	4.5
215.14359	5.1
217.15950	6.1
225.16429	4.0
227.12743	3.1
229.14355	2.8
233.15378	5.3
241.14336	5.8
241.19669	2.8
257.18994	6.3
259.20572	7.2
273.18481	21.1
275.20114	29.9
275.84415	2.3
277.21646	3.7
279.15729	14.8
291.19531	51.1
299.55392	2.6
327.15897	8.1
333.24216	13.0
347.22266	4.5
349.23727	14.1
365.23148	9.4
381.22623	4.4
395.01074	2.6
401.19727	4.1
561.25421	3.3
565.38434	6.5
581.38428	3.7
583.39618	10.1
605.40979	4.4
607.25397	13.5
621.26831	3.5
621.41870	3.3
623.42920	9.2
639.27881	8.4
639.42688	34.6
640.44250	2.5
657.21393	13.3
657.43628	42.4
658.22235	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	657.247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34089	3.2
59.82193	2.9
70.41340	3.1
71.60828	5.2
76.90170	3.3
81.36478	3.1
88.37537	3.2
93.18973	2.9
120.44587	3.4
144.86575	3.8
298.11118	3.5
338.31143	3.5
441.18323	3.9
463.16858	4.9
476.12015	4.3
506.18576	4.3
519.19269	12.5
537.20575	3.6
545.75952	4.0
579.21448	35.8
607.20996	15.3
639.23712	100.0
657.24786	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13493	1.0
53.02566	1.0
56.60765	0.9
72.26042	1.1
101.40903	1.0
108.47670	0.9
117.05109	1.0
132.08029	1.1
141.26433	0.9
144.87140	0.9
146.09639	1.2
160.11206	1.4
172.64276	1.0
185.80000	1.1
209.10760	1.1
221.10736	1.5
223.12202	1.8
235.12300	2.4
236.13211	1.6
237.13832	1.9
247.12357	1.7
247.14772	1.0
247.42310	1.0
249.13928	1.2
259.12460	1.5
261.13864	1.9
262.49469	1.0
271.12048	1.2
273.13727	1.3
274.13580	1.6
275.15347	1.3
287.15405	1.4
288.16119	1.7
297.12332	1.1
302.16647	1.4
311.14191	1.4
312.14920	1.2
314.16614	2.2
318.16077	1.8
324.15152	1.1
326.16574	1.6
332.17523	1.7
338.13013	1.0
338.16644	1.3
349.14929	1.3
350.16342	1.5
351.15930	1.4
352.18094	1.6
353.18378	1.1
354.19547	1.6
363.16019	1.4
364.17740	1.8
365.17853	2.5
375.16507	1.3
376.17178	2.0
377.17694	4.1
378.19080	2.6
379.19122	3.8
380.20639	2.2
381.20880	1.4
390.18842	1.5
391.19394	5.0
392.20285	2.4
393.16818	3.7
393.20911	3.2
395.18530	1.9
405.20859	4.1
406.21762	2.6
407.17706	1.9
407.22275	4.7
408.19656	4.9
409.20035	5.8
419.18359	1.6
420.19067	1.7
421.19464	6.3
422.21179	6.0
423.16763	1.8
423.21854	23.8
424.22131	4.1
432.19366	1.7
433.20517	1.6
434.20786	1.9
435.22250	9.3
436.22653	7.2
437.24014	4.9
438.24323	1.7
442.21249	1.5
446.20657	1.8
447.21973	2.1
449.24255	5.5
450.24594	1.6
451.20566	5.6
453.22815	1.6
454.20071	6.7
455.24313	1.3
456.22986	1.8
461.23523	8.2
462.20776	1.7
463.21075	3.4
464.21698	3.1
465.23123	5.6
466.23386	1.7
467.24417	4.2
468.25089	2.5
477.22894	6.8
478.23987	3.1
479.24121	7.2
481.22028	4.1
482.23752	1.3
483.23801	1.3
491.21133	1.3
493.21082	6.7
494.27319	6.2
495.23618	14.0
496.24680	5.3
503.24548	1.4
505.22244	1.2
506.22464	1.4
507.23926	1.6
508.24762	16.5
509.25735	13.0
510.26361	13.9
511.27203	17.1
512.27228	1.4
519.23621	1.7
521.25623	6.6
522.25787	4.6
523.23462	6.1
525.28412	2.3
526.29095	1.9
537.25006	24.9
538.25732	10.9
539.25793	1.7
549.24786	1.6
551.22626	3.3
553.28339	12.0
554.26971	1.5
555.25812	3.1
565.24329	5.4
566.24817	3.3
570.27985	6.3
581.27570	25.9
582.27002	2.5
583.25592	6.9
596.26984	3.3
597.27063	57.4
598.27789	11.2
599.26892	1.4
601.22131	1.7
607.24976	1.8
613.30121	81.9
614.30121	5.0
625.26501	100.0
626.26801	6.9
657.28778	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	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07500	3.4
61.37637	2.6
69.34776	13.9
69.35207	18.2
72.66817	3.0
93.06998	4.3
98.21531	4.5
146.09686	3.7
158.09615	3.9
223.12201	3.2
235.12326	4.0
249.14006	3.7
251.08168	3.0
261.13855	5.1
262.10727	3.0
273.13757	4.9
274.13538	3.0
275.15323	3.1
288.15570	3.7
289.16800	4.1
314.13104	3.4
318.16190	4.0
323.14526	3.1
338.16376	3.9
352.18051	5.2
362.16156	3.6
363.16180	5.0
364.17838	5.0
365.17972	5.4
366.19543	5.3
377.17633	9.4
378.19220	4.0
379.19467	14.8
381.21051	4.1
389.17609	4.3
390.19266	3.9
391.19299	14.1
392.19983	9.2
393.20761	12.1
395.22397	5.0
405.20999	8.1
406.21838	4.0
407.18561	13.1
407.23010	5.3
408.19312	12.7
409.20190	14.1
410.18262	4.3
417.17566	4.7
418.18204	4.5
419.22766	5.2
421.20187	13.3
422.20828	12.3
423.21774	46.7
424.22186	4.9
431.18591	5.9
434.21155	4.2
435.22195	24.8
436.22305	11.7
437.23285	13.2
438.22104	3.5
445.20233	4.1
446.21252	7.2
449.23895	6.6
450.24249	7.0
451.21075	12.3
454.20068	13.5
456.23566	3.6
461.23602	21.5
463.21057	11.5
464.22318	6.9
465.22662	12.7
466.23135	4.4
467.24255	11.8
468.25317	8.1
477.22910	21.7
478.23590	11.4
479.25037	16.2
481.22253	13.5
491.20895	3.9
493.21494	17.1
494.26501	9.9
495.23730	36.4
496.24374	12.6
505.22314	3.7
506.22806	3.4
507.22946	5.5
508.24731	36.2
509.25635	37.2
510.26431	26.6
511.27191	31.1
513.42688	3.8
519.23975	7.7
521.25299	9.6
522.25232	6.1
523.23175	10.3
525.28418	4.7
537.25366	36.9
538.25763	14.7
551.22589	5.9
553.27631	11.4
555.25195	3.9
565.23877	4.4
570.28217	6.1
581.27277	24.3
583.25201	5.8
595.28784	4.9
597.26978	61.7
598.27283	10.9
613.30121	74.3
625.18311	4.4
625.26489	100.0
626.27338	3.7
657.28717	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	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09366	0.5
53.03930	0.8
55.01864	1.1
55.05258	0.5
55.05507	6.1
57.03436	5.5
57.07073	37.2
58.18767	0.4
61.02927	7.1
67.05501	13.1
69.03413	1.8
69.07064	9.3
71.04979	0.7
71.08628	32.3
71.64453	1.1
73.02920	3.7
74.27554	0.5
75.04468	2.1
76.78943	0.4
79.05484	3.1
81.03410	1.5
81.07053	17.4
83.04983	1.2
83.08612	11.3
84.42596	0.6
85.02901	9.4
85.06562	0.7
85.10178	18.7
89.06026	0.7
91.03950	8.8
91.05472	3.0
93.07045	3.6
95.04945	1.8
95.08603	24.3
97.02884	5.6
97.06497	1.4
97.10169	4.9
99.04442	0.9
99.08078	0.9
99.11714	1.3
101.02308	0.6
103.07566	0.6
105.07020	3.1
107.04936	1.1
107.08598	2.1
109.02827	0.7
109.06512	0.8
109.10145	10.8
111.08061	0.6
111.11706	1.5
113.13251	0.8
117.06999	1.0
119.08561	1.9
121.10128	0.6
123.11699	4.9
125.09669	0.5
125.13231	0.9
127.03899	3.8
129.06995	0.9
131.08565	1.2
133.06462	0.9
133.10095	1.2
135.07936	0.6
135.11716	0.6
137.13281	2.4
141.06952	0.6
145.04948	4.7
145.10077	1.1
151.14786	0.8
161.13239	0.9
163.06012	5.8
165.16426	1.0
171.07996	0.6
193.08601	2.8
207.13847	0.5
211.14838	0.8
217.15634	0.6
219.20985	0.5
221.22723	0.8
239.23686	29.4
257.24689	5.1
273.18469	0.6
275.20084	0.8
277.21774	0.6
291.19675	0.7
298.27469	0.8
313.27350	100.0
314.27704	1.6
331.28397	15.2
373.66083	0.6
425.92661	0.5
457.31415	0.6
475.21194	0.7
475.32556	2.3
534.22247	0.5
548.24207	0.7
549.25256	0.7
557.38434	1.0
562.22217	1.5
577.24585	6.5
578.24500	1.1
595.10815	0.6
605.23779	0.8
623.26007	0.8
637.26355	2.0
655.16962	0.9
655.27429	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	655.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05500	8.9
61.02918	4.0
65.03931	1.9
67.05499	13.4
69.07062	10.5
70.79985	6.3
79.05488	25.3
81.07053	32.6
85.15932	1.8
91.05479	35.8
93.06463	2.6
93.07037	35.9
95.04960	5.1
95.08600	24.6
103.05451	2.9
105.07021	70.3
105.93008	1.9
107.08586	38.4
109.06479	3.0
109.10160	13.7
115.03919	38.5
115.05428	5.1
117.06999	20.0
119.08574	45.1
121.06528	4.0
121.10164	14.7
128.06189	15.9
129.07007	21.6
130.07751	4.9
131.08557	41.2
133.10129	23.0
135.11671	5.8
138.38441	1.8
141.06963	9.5
142.06750	2.3
142.07787	23.0
143.08551	64.0
144.09308	7.8
145.10110	60.3
147.04393	2.0
147.11681	22.4
149.09613	2.3
149.13266	6.2
150.12932	1.8
151.11122	1.8
153.07005	4.1
154.07762	2.4
155.08533	34.0
156.09323	12.9
157.10118	73.3
158.10857	2.1
159.08098	4.3
159.11690	50.4
160.12195	2.1
161.09644	2.7
161.13229	24.3
163.11122	5.4
163.14833	4.7
165.06963	5.5
166.07838	3.1
167.08543	11.5
168.09361	5.8
169.10138	33.9
170.10880	5.0
171.11665	32.3
173.09633	4.4
173.13234	21.1
175.11182	3.7
175.14772	4.2
178.07611	1.8
179.08539	4.4
180.09323	7.5
181.10132	16.2
182.10925	11.9
183.11668	20.3
184.12495	4.5
185.13228	25.1
187.14801	12.7
189.16321	2.7
192.09236	2.2
193.10109	5.9
194.10921	2.4
195.11664	26.8
196.12463	4.0
197.11438	2.9
197.13245	55.7
199.14810	100.0
200.15211	2.4
201.12694	3.4
201.16364	23.7
203.14359	2.6
203.17995	3.0
205.10139	3.7
206.10864	2.3
207.11688	5.2
208.12430	2.2
209.13206	15.4
211.10973	2.0
211.14798	19.4
213.12650	9.1
213.16318	20.7
215.14308	18.0
215.17824	9.9
217.15804	11.1
218.10846	1.8
219.11722	4.2
221.13248	6.7
222.13982	2.7
223.14787	6.9
225.16400	5.8
227.14378	2.7
227.17979	4.4
229.12282	2.0
229.15872	3.2
231.11726	2.9
231.13786	8.3
232.12527	2.2
233.13229	4.9
233.15288	3.0
234.14082	2.1
235.14841	7.6
237.16388	10.5
239.17882	4.4
243.20914	1.8
245.13321	4.0
245.15445	3.9
247.14749	6.1
249.16452	12.9
251.17918	12.8
257.15402	4.2
259.14642	3.5
259.16913	15.5
261.16391	4.2
262.45578	2.2
263.17960	4.0
265.19577	2.9
271.17200	2.1
279.20987	2.7
287.17670	2.6
289.19470	2.9
299.18054	2.1
301.19629	2.5
303.21375	3.0
331.24371	2.7
333.17038	4.3
341.22458	5.1
357.25659	3.9
359.27380	6.0
361.28909	11.6
397.28888	30.5
398.81418	2.0
415.29910	21.5
421.31177	3.4
433.30878	7.4
457.31094	17.9
475.32346	8.6
481.32938	2.1
507.31100	2.0
517.33105	12.7
535.34125	21.1
577.35083	3.1
589.71930	2.2
595.36029	5.9
655.38379	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	655.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
53.03942	8.2
54.59783	1.3
55.01868	15.6
55.05267	2.2
55.05508	27.2
55.45715	1.2
55.88599	1.7
56.53477	1.2
57.03435	16.3
57.07064	6.8
59.04981	2.0
61.02920	2.4
65.03922	2.9
67.05501	53.0
69.03077	2.0
69.03429	30.4
69.07066	11.8
71.01353	2.5
71.05003	10.4
71.31351	3.7
73.02911	5.9
79.05491	43.9
81.03416	100.0
81.07054	35.7
83.04981	23.6
83.08615	23.1
85.02895	26.6
85.06515	2.8
91.05479	41.4
93.07043	27.9
95.04966	31.7
95.08608	14.9
97.02886	32.6
97.06548	10.4
97.10168	11.5
99.04438	7.5
99.08080	2.5
101.02396	1.5
103.05446	2.5
105.07027	27.8
107.04948	14.8
107.08589	17.7
109.02869	14.2
109.06491	4.6
109.10152	19.5
111.04434	13.0
111.08068	11.0
113.06023	2.2
114.86833	1.5
115.03937	4.1
115.05441	2.3
117.06991	8.0
119.04954	1.7
119.08588	22.8
121.06479	4.0
121.10134	13.5
123.04433	5.4
123.08058	4.3
123.11716	2.1
125.06001	2.4
125.09631	10.6
127.03889	8.4
127.11224	2.7
128.06219	2.1
129.05490	3.1
129.06956	10.3
131.08554	13.5
131.87570	1.5
133.06487	5.4
133.10124	14.0
135.04416	7.2
135.08046	3.2
135.11687	4.8
137.06015	2.1
137.09598	4.7
139.11249	1.5
141.06976	1.8
142.07732	1.8
143.03384	2.0
143.08560	2.6
145.04915	1.6
145.06468	2.2
145.10124	7.0
147.04399	2.5
147.08026	3.8
147.11673	18.2
149.06007	2.1
149.09593	8.6
151.11201	1.5
153.05481	3.5
153.09036	1.7
153.12697	3.1
155.08591	1.8
157.09003	2.0
157.10133	11.6
159.11681	2.3
163.03862	4.4
163.11168	8.7
165.12703	3.9
167.07227	1.4
171.07925	1.4
171.10223	1.5
171.11641	2.1
173.04425	6.9
173.05888	2.2
173.09474	1.6
173.11726	4.8
175.11200	13.2
181.04950	2.3
181.12242	6.8
183.06528	1.9
187.07578	1.8
187.11096	1.6
189.11188	3.1
191.10707	3.9
193.12234	40.1
199.06027	3.4
209.11646	6.5
211.13280	39.8
217.12209	1.8
223.13249	2.1
225.12425	1.4
227.12747	11.6
229.14355	8.3
235.13286	3.2
249.14828	2.0
255.15994	2.1
265.14493	1.7
267.15988	12.7
283.15323	7.2
285.16977	5.2
301.16461	3.1
307.15308	1.5
337.16608	2.1
353.16010	1.7
355.17703	3.2
411.19946	1.9
421.25848	5.6
427.19608	3.1
439.26752	10.7
463.26828	1.7
475.26657	3.9
485.22443	1.5
493.27762	5.1
495.29288	1.8
561.17792	1.7
583.30194	1.8
637.31879	6.0
655.33160	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	655.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05340	4.1
65.02978	3.6
69.41424	11.6
69.41844	33.8
75.04468	31.5
112.93667	4.1
117.63555	3.7
139.07973	3.8
173.95744	4.1
182.52206	4.5
216.18774	3.7
239.06535	4.3
254.11951	3.9
254.69815	4.6
325.04291	4.2
405.16602	6.2
407.22308	9.1
419.18738	7.5
420.19339	7.1
433.20242	13.3
434.21109	10.0
435.21637	12.3
447.17978	6.0
448.18918	5.9
461.19626	30.3
462.20435	13.7
463.21249	10.0
475.21228	6.0
508.24329	5.4
509.25162	5.8
521.25171	5.0
549.24701	16.7
595.29004	13.6
650.20172	4.8
655.31268	100.0
668.11896	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	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42114	0.2
52.55381	0.2
55.05513	0.2
67.05508	0.5
70.39156	0.2
71.55200	0.3
75.04465	0.4
79.05498	0.5
81.07053	0.5
83.04968	0.3
91.05477	0.3
93.07030	0.2
95.08602	0.2
105.07024	0.4
176.90773	0.2
375.16187	0.2
376.16821	0.3
377.17740	0.6
390.18503	0.4
391.19284	1.4
392.19946	0.5
392.94739	0.2
393.20679	0.3
403.19171	0.3
405.16458	2.2
405.21048	1.0
406.17184	0.4
406.21826	0.5
407.22516	4.0
408.23087	0.3
417.17184	0.2
418.17914	0.5
419.18246	2.8
419.22754	0.6
420.18716	1.1
420.24149	0.4
421.19888	1.3
432.19571	0.6
433.20685	5.0
434.21042	4.9
435.21774	7.4
436.22385	0.8
446.21198	0.4
447.17862	1.7
447.22202	1.7
448.18442	0.8
448.22983	0.9
449.19299	1.8
459.22195	0.3
461.19702	1.7
462.20331	4.5
462.26187	0.2
463.21207	3.5
464.21988	0.3
475.21457	1.7
476.22253	1.1
477.22937	1.2
478.23511	0.2
479.20859	0.9
481.26135	0.3
489.23218	1.0
491.20303	0.3
493.21194	0.9
493.26971	0.4
494.23077	0.8
495.23795	1.0
506.22534	0.4
507.19269	0.3
507.24628	0.6
508.24670	1.8
509.25635	1.6
521.25677	9.5
522.26068	0.7
535.26898	0.6
540.27222	0.3
547.27130	0.4
549.24945	17.9
550.25671	1.2
553.24792	0.7
563.26648	2.8
564.27234	0.7
577.24438	0.5
580.23993	0.3
581.27814	2.8
594.25757	0.2
595.29260	9.2
596.29218	0.6
607.28876	0.6
609.27039	9.3
610.27631	0.5
623.28430	1.2
655.31219	100.0
656.31470	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	655.2759
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
50.02320	0.3
55.01862	0.6
55.05495	1.0
57.03426	0.7
60.23848	0.4
67.05508	2.5
69.07069	0.8
70.09649	1.6
71.10827	0.3
77.99932	0.4
79.05483	2.4
79.12221	0.3
81.07047	2.0
83.04975	0.9
85.06545	0.4
91.05471	2.0
93.07030	2.0
95.04977	1.1
95.08617	1.1
96.08134	1.0
97.06537	0.7
105.07021	1.8
107.04952	0.9
107.08567	1.3
109.06536	1.2
109.10175	0.8
115.05500	0.4
117.06985	0.6
119.08587	1.2
121.10163	0.6
125.73540	0.4
126.72959	0.4
129.06958	0.4
129.18384	0.3
131.08566	0.9
133.10141	0.9
135.08032	0.6
135.11664	0.6
137.09488	0.4
143.08548	0.5
145.06512	0.4
145.10117	0.9
147.11661	0.4
149.09634	0.5
155.66069	0.4
159.08047	0.5
159.11736	0.4
161.13264	0.4
163.11215	0.5
172.03981	0.4
245.19135	0.5
275.20142	0.8
289.18256	0.5
291.19455	1.8
361.14642	0.5
376.16888	0.7
377.17773	1.2
378.18399	0.7
379.19101	0.7
389.17465	0.5
390.18546	0.7
391.19400	2.2
392.19946	1.0
393.20914	1.0
404.16190	1.2
404.20590	0.7
405.16360	3.0
405.20993	1.3
405.99194	0.3
406.17230	0.6
406.21973	0.9
407.22501	5.1
408.22845	0.6
417.17075	0.7
418.17773	1.9
419.18414	7.1
419.23495	0.5
420.19287	2.3
421.20105	1.9
432.19254	0.8
433.20480	11.2
434.21133	6.3
435.21756	6.5
445.20276	0.7
446.21274	0.7
447.17719	1.6
447.22250	1.7
448.18979	1.2
449.19760	1.8
450.20761	0.4
461.19705	1.6
462.20486	3.4
463.21335	4.5
465.18973	2.1
475.21899	1.7
476.21844	0.4
477.18793	0.9
479.20230	0.9
480.21390	0.6
489.22858	1.2
490.19348	0.7
491.20807	1.4
493.22284	2.1
494.23041	0.4
503.20685	0.7
505.22449	1.1
507.19272	0.7
507.24850	0.6
508.21127	0.8
509.21704	0.5
517.22333	0.9
520.25238	1.9
521.25665	9.1
522.26154	0.6
523.26788	1.0
534.22870	0.5
548.23816	0.7
549.24969	12.9
550.25269	1.0
551.23590	0.6
552.23828	0.8
565.24487	1.5
577.24426	9.1
578.24365	0.7
579.22937	0.6
580.26288	1.2
581.27942	1.7
595.25543	4.9
605.24030	1.1
609.27258	2.9
623.24823	0.5
637.26526	7.0
637.39447	0.7
655.27594	100.0
656.27881	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	655.2763
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
51.53109	0.3
53.82838	0.3
55.05507	0.8
60.36551	0.3
67.05502	1.7
69.71661	2.3
79.05492	0.9
81.03429	0.6
81.07063	1.5
82.39964	0.4
91.05475	1.1
93.07058	1.1
95.04984	0.5
95.08621	0.8
98.21494	0.5
107.08599	0.8
109.10217	0.4
114.99330	0.4
117.07023	0.4
179.16797	0.4
189.65717	0.4
227.55092	0.4
242.90256	0.4
288.11530	0.4
300.11523	0.4
314.13110	0.5
328.14566	0.6
335.25803	0.6
362.15717	0.4
363.16333	0.6
364.17157	0.4
365.17862	0.6
377.17773	1.1
378.18564	0.7
379.19223	1.7
391.15460	1.6
391.19766	0.7
392.15891	0.7
392.20490	0.5
393.16632	0.4
393.21039	3.5
404.16202	0.6
405.16504	2.0
405.21542	0.7
406.17361	0.7
406.22327	0.7
407.18530	3.5
407.22775	0.6
409.20432	0.6
416.20419	0.5
417.16940	0.5
418.17770	0.5
419.18649	3.0
420.19580	3.0
421.20264	6.7
422.20932	1.0
433.15549	0.7
433.21231	2.2
434.16605	0.5
434.21658	0.7
435.17773	4.8
436.18723	0.6
437.19867	1.0
444.19443	0.9
445.20453	0.8
447.18201	1.7
448.18954	1.5
449.19809	4.0
450.20673	1.5
461.19876	1.4
462.20737	0.9
463.17288	6.6
464.17697	0.4
465.18536	0.5
467.20056	0.5
472.18695	0.4
473.19617	0.6
475.21793	0.5
477.19458	1.6
478.20007	1.6
479.20477	0.7
480.21548	1.0
481.22415	1.2
482.23227	0.5
490.20236	0.6
491.21066	1.8
493.22586	1.1
495.20139	0.7
503.20810	0.7
504.21133	0.6
507.24429	4.9
508.20892	1.1
509.21204	0.8
509.26617	1.1
517.23016	0.6
521.21893	1.3
535.23438	3.6
537.25079	0.9
549.25464	2.8
553.21118	0.5
559.23438	1.2
563.23059	0.7
564.23645	0.6
567.25983	6.7
568.25995	0.4
577.24493	3.7
581.23724	0.5
595.25543	8.5
596.26257	1.3
619.25488	0.8
623.24829	0.7
627.27972	1.6
655.27625	100.0
656.28009	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32612	0.9
62.21607	0.9
67.05518	1.5
70.09930	4.0
70.10329	2.3
73.32638	1.0
76.91267	1.0
91.05477	2.0
111.75202	1.1
143.26654	1.2
197.10690	1.2
209.10680	1.3
210.11497	1.6
211.12326	1.4
214.72911	1.1
221.10777	1.1
222.11504	1.4
223.12318	3.2
225.13820	3.4
225.76968	1.1
235.12294	1.1
237.10132	1.4
237.13898	4.1
249.10072	2.0
250.10963	1.3
277.09827	1.7
293.08908	1.2
328.14288	1.7
335.10611	1.3
337.12012	1.6
338.12579	1.3
366.16064	1.8
382.42487	1.3
401.17352	1.7
403.19296	1.6
415.15140	1.2
416.16113	1.3
429.16977	3.8
430.17883	2.2
431.18716	3.8
443.18347	3.0
444.20059	2.0
445.20233	3.4
446.20804	3.7
447.21750	4.2
454.17398	1.8
457.16125	1.3
459.22372	5.3
460.22281	2.1
471.18643	1.2
473.19489	1.5
475.21219	4.2
487.21347	12.1
501.22675	4.1
502.21094	1.1
515.20575	2.8
518.23083	1.4
519.23816	4.4
529.22205	4.4
531.20245	1.8
533.25555	4.7
534.23199	1.9
547.23450	4.1
561.24957	100.0
562.25391	5.3
589.24420	9.2
621.27051	77.6
622.27307	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	655.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01853	1.6
56.96568	9.0
69.03422	4.4
69.33038	17.3
70.06599	2.0
71.04982	2.7
72.08159	1.5
81.03418	5.2
85.02905	6.9
88.24573	1.4
91.02464	1.7
95.04956	2.6
97.02886	4.5
98.97578	9.5
101.00889	2.2
103.02448	2.0
110.69580	1.8
112.99220	1.7
113.00848	1.5
115.02418	3.3
116.98617	5.2
119.01932	10.2
119.04929	2.6
123.04427	2.4
127.02441	2.9
127.03861	3.7
128.98662	1.7
129.03979	2.4
131.00185	4.7
131.01898	6.8
133.03461	21.1
134.99666	3.6
139.02437	1.4
141.04041	1.9
143.01884	4.1
145.03470	26.2
145.04996	2.3
146.99646	2.9
147.05034	5.5
149.01266	3.6
151.04529	3.4
153.04048	2.2
155.01904	6.3
155.05550	2.3
157.03473	6.8
158.99654	2.2
159.05031	16.7
161.01205	2.2
161.02982	7.0
162.71979	1.5
163.03966	5.7
165.06091	1.9
167.02022	2.6
167.05544	2.7
167.77843	1.5
169.03520	3.6
171.05026	13.1
171.93555	2.1
173.02983	11.4
173.06590	11.3
175.04524	4.9
177.00774	3.2
177.06058	5.4
179.42502	1.7
181.03445	8.4
181.07080	1.8
183.05048	9.7
185.02963	15.7
185.06567	3.3
187.04459	3.1
189.00726	4.1
189.06113	5.8
191.07642	2.7
194.06715	1.8
195.05066	5.3
195.07083	2.7
197.02921	5.2
197.06616	5.1
199.04507	42.8
199.06404	2.6
199.08174	7.0
201.00687	2.4
201.06065	4.1
201.09744	1.8
203.00575	1.7
203.04073	2.5
203.07782	1.8
205.03645	2.1
207.05095	3.2
209.03023	2.5
209.06636	4.1
211.04593	2.9
211.08188	6.5
213.04337	2.0
213.06036	9.5
215.02261	3.7
215.07677	4.9
217.05638	2.5
219.01729	5.1
219.07103	22.3
221.05069	14.0
222.06102	2.9
223.04529	13.3
223.08098	2.3
225.06039	24.1
227.04077	3.2
227.07646	10.2
229.05670	1.8
229.09218	1.9
231.07146	20.3
233.03333	2.9
233.08759	4.3
235.04562	3.7
237.02850	4.3
237.06091	14.3
241.05573	7.4
241.09264	3.6
243.07034	7.7
245.05077	20.6
245.08777	3.0
253.05594	16.8
255.07161	43.8
259.06876	3.9
261.08334	2.7
265.05734	2.1
267.07114	11.8
271.06607	25.2
273.08188	25.3
278.08829	2.3
279.03769	2.0
283.07062	2.5
285.08182	100.0
291.09167	5.2
295.06546	1.7
296.09857	2.0
303.09067	2.2
308.09711	7.1
309.10263	1.9
313.07480	8.4
321.10303	99.3
322.10526	3.2
331.08728	52.5
337.08209	3.0
338.08926	1.6
339.11450	8.5
347.06134	2.2
354.10379	6.4
357.06845	4.9
375.07581	18.3
398.09512	3.4
405.10587	2.5
453.14355	4.4
461.15027	5.5
467.17422	2.7
479.16141	10.6
493.13708	3.7
523.15076	43.5
565.15771	2.1
611.20282	3.8
637.18127	6.7
655.19275	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	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36369	1.0
81.07075	0.9
92.79245	0.6
112.05883	0.6
117.56057	0.7
149.73457	0.7
209.10829	0.7
300.15002	0.7
377.17731	2.3
389.18484	0.8
390.18539	2.5
391.19113	7.2
392.20129	1.6
393.21127	0.9
402.18625	0.7
403.19873	1.0
404.20081	1.2
405.20728	10.5
406.21524	8.4
407.22360	1.1
417.20840	0.9
419.22464	3.8
420.23026	7.4
421.23849	14.2
431.18185	1.1
433.20270	4.3
433.24799	2.0
434.24521	2.2
435.18076	0.8
436.18674	4.0
445.20551	2.3
447.21439	1.5
449.19611	1.2
449.36761	0.8
450.20645	3.2
451.21292	2.1
452.21948	3.5
459.17981	1.8
460.22623	2.7
461.23404	1.3
463.21893	1.7
465.22842	47.8
466.23312	3.1
473.19421	3.9
475.25198	2.4
478.24066	1.6
479.24512	8.5
480.25464	4.6
486.20853	1.0
487.21527	2.0
488.22122	6.8
491.20813	2.3
492.21710	2.9
501.22943	1.5
502.23184	1.0
503.24414	57.8
504.24728	3.9
505.22491	1.1
507.27875	3.1
533.25458	1.5
535.27051	45.0
536.27228	2.5
551.26483	6.8
561.24847	3.2
562.26031	1.1
566.28033	0.9
579.26031	42.4
580.26208	2.5
593.27502	2.1
594.28345	22.1
595.29053	0.9
621.27100	19.5
653.29688	100.0
654.30048	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68234	0.9
67.05489	1.7
69.07040	1.1
79.05492	1.6
81.03389	1.3
81.07054	1.4
91.05479	1.2
93.07008	1.5
95.08582	1.6
104.85966	0.9
105.06969	1.1
120.08186	1.5
121.10071	0.9
144.52216	1.0
144.88641	1.0
146.05898	1.2
150.50394	0.9
155.37093	1.0
209.10741	3.1
210.11456	1.9
221.10757	2.0
223.12276	2.9
225.13922	4.7
233.10806	1.0
235.12241	1.6
236.29875	1.1
237.10324	1.5
237.13889	3.3
239.15450	1.7
249.10184	2.9
249.14114	1.5
275.15729	1.4
277.09772	1.2
284.60513	1.1
311.15259	1.4
324.11374	1.4
337.11890	2.3
338.12820	2.1
351.13522	1.1
366.15918	1.5
368.13742	2.0
388.16983	1.3
394.15500	2.1
397.15063	1.8
399.16000	1.1
401.17694	1.7
402.18597	2.3
417.21027	1.8
429.17065	3.8
430.18039	2.4
431.18637	4.5
435.22058	1.3
443.19083	1.6
444.19943	2.4
445.20200	5.3
446.21069	3.6
447.21860	4.3
454.17642	1.0
459.22266	7.3
472.18777	1.9
473.23718	1.8
475.21298	2.5
487.21454	10.0
488.21732	1.3
491.20255	1.6
501.22720	5.0
503.20764	1.9
506.26706	1.3
515.20642	1.9
519.23804	4.1
521.25659	1.7
529.22150	4.0
531.20062	1.2
533.25684	5.4
534.22723	1.4
547.23651	2.2
561.24994	100.0
562.25604	5.7
589.24445	9.4
590.23572	1.1
593.31219	2.6
621.27069	93.8
622.27209	6.4
635.28125	1.9
639.45544	1.2
653.33435	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	653.2605
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05514	2.0
64.94096	1.6
67.05496	2.3
70.06595	1.8
71.58675	1.5
71.64637	4.0
74.79868	1.8
81.07024	2.8
94.17949	1.5
107.08603	2.1
117.69112	1.7
130.68498	1.6
141.86847	1.4
184.07352	2.9
185.57684	1.8
249.10252	2.6
263.11765	2.1
316.56219	1.7
354.00665	1.9
363.16068	2.8
369.49573	1.8
377.17606	8.0
378.18491	4.6
389.18198	2.4
390.18430	2.9
391.19113	13.0
392.20050	6.0
393.20825	6.3
404.20651	2.4
405.21100	9.2
407.22260	11.5
417.21069	3.1
419.18091	3.5
419.22980	3.2
421.20526	9.0
433.20261	4.8
434.20663	3.1
435.21930	16.3
437.19501	2.8
447.22208	4.0
451.21420	5.7
465.19067	12.0
466.19635	4.9
473.19714	3.0
474.21201	2.4
475.21909	3.6
477.18710	2.4
479.20648	20.2
487.21255	2.5
489.23547	3.0
501.19397	4.2
502.20566	3.1
505.18939	6.6
506.19437	1.9
507.24423	2.2
515.20746	7.6
516.21649	4.4
517.22327	32.1
521.25519	7.6
522.26385	3.9
523.23340	3.0
537.24084	3.0
547.23492	3.6
549.24951	44.4
550.24963	3.6
551.23035	8.2
565.24304	5.9
566.25140	29.8
575.22675	12.9
593.24036	18.0
594.25067	2.3
603.22479	2.0
607.25385	5.4
609.27118	7.6
625.26343	2.8
635.25018	100.0
636.25513	3.7
653.26056	81.3
654.26709	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	653.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
71.65135	6.4
105.09095	3.9
115.28438	3.9
209.10880	4.0
211.08704	4.0
237.10242	5.3
239.11784	4.9
241.15340	3.9
249.10233	4.9
266.84723	4.3
267.11267	26.3
281.12827	13.0
293.09232	4.3
327.13797	3.6
345.21915	4.2
385.13968	16.8
395.36652	4.3
398.15588	4.4
399.21515	4.3
408.51028	4.6
415.56860	4.0
445.20062	9.4
447.21808	4.4
449.10580	4.8
473.19672	9.3
533.21204	5.3
537.24408	4.4
561.24823	17.7
565.23975	4.2
575.23163	9.5
593.23737	14.5
597.26697	4.8
603.21967	7.4
620.26257	100.0
621.24072	16.2
625.26221	12.2
635.24841	28.1
653.25757	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2962
Annotation	Haplophytine
Peak:m/z	Relative Intensity
58.27068	0.6
69.92971	3.7
69.93387	1.3
79.44059	0.7
81.06976	0.7
89.10316	0.6
98.21377	1.3
119.86613	0.7
174.25203	0.7
209.10622	1.1
221.10654	1.1
235.12022	1.2
237.13710	1.0
249.13889	0.9
255.45930	0.9
270.14322	0.7
279.17169	0.8
297.12372	1.1
298.13211	0.8
311.13974	0.9
312.14886	0.9
312.53595	0.8
326.16251	1.2
339.17068	0.9
340.17828	1.0
371.16180	1.3
376.17322	1.0
377.17795	1.0
383.15857	0.8
389.17575	3.1
390.18323	2.9
391.19092	2.2
392.20142	1.1
402.21835	1.0
403.19861	3.7
404.19931	7.2
405.20715	16.2
406.21228	1.0
417.20639	2.4
418.21533	2.7
419.22302	10.8
420.23026	4.6
421.23944	0.9
431.22394	2.1
432.23318	1.3
433.23950	8.8
434.24725	4.4
435.17957	2.3
445.20132	1.6
447.20737	4.8
448.18985	1.5
448.26251	1.4
449.19562	7.6
450.20551	3.5
459.21582	2.3
463.21210	9.5
464.21881	4.6
465.22617	3.9
473.19666	2.3
475.21268	3.0
476.21878	1.7
477.22702	6.2
478.23947	3.7
479.24423	43.4
480.24887	1.8
487.21353	6.7
488.22098	1.2
491.20450	3.4
491.24661	2.7
492.24860	2.7
493.25824	2.2
501.23032	5.5
502.23355	3.0
505.26041	2.3
506.26248	1.0
507.27597	24.7
508.27887	1.4
519.24030	4.5
522.22589	0.9
533.25507	6.7
536.24341	2.3
537.24811	12.0
550.25708	1.1
551.26495	40.5
552.26648	2.3
561.24921	9.0
562.25458	1.2
563.22858	1.8
565.28033	24.2
566.28815	100.0
567.29358	4.0
575.26251	1.7
593.27429	14.1
621.27020	18.8
625.30060	1.5
635.28009	5.0
653.29663	95.0
654.29755	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	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
57.07074	0.2
58.06368	0.2
58.06624	0.5
59.07405	0.2
60.08163	5.7
67.05507	0.8
69.62957	0.1
69.81323	0.3
69.81731	0.8
70.06593	0.2
71.07372	2.8
71.08645	0.2
72.63420	0.2
74.50100	0.2
81.07036	0.4
86.09705	30.4
98.20904	0.3
98.98467	2.6
99.92290	0.2
104.10742	2.2
105.07047	0.3
109.10155	0.5
125.00003	20.4
130.13730	0.2
143.01036	0.5
160.85992	0.2
161.64954	0.2
166.02667	0.2
183.32571	0.1
184.07338	100.0
280.47653	0.2
419.66528	0.2
496.33292	0.3
522.71448	0.2
635.90057	0.2
650.43958	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	651.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32320	0.6
51.38050	0.7
52.12527	0.7
56.96551	1.3
62.96644	0.6
67.05508	0.7
71.64899	0.9
81.03398	0.9
81.07066	0.9
91.05429	0.7
95.08616	0.8
95.16370	0.6
100.50002	0.7
105.07008	1.0
109.32246	0.7
119.81072	0.7
129.45319	0.8
131.08536	0.8
141.51595	0.7
143.08537	0.9
145.23450	0.6
155.08530	1.0
183.11723	1.1
194.54655	0.6
196.19937	0.7
225.97261	0.6
229.12335	1.5
259.10107	1.0
286.31641	0.6
303.09094	0.9
345.10919	37.2
418.76529	0.7
556.28180	0.7
591.23621	1.9
651.25665	100.0
652.26038	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	651.2806
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05462	1.3
57.07011	0.9
63.43433	0.7
65.37646	0.7
67.05427	3.2
69.32256	8.1
72.61629	0.7
79.05446	1.2
81.03359	1.2
81.06982	2.3
83.04932	1.2
90.51566	0.7
91.05430	1.4
92.55029	0.9
92.55688	0.7
93.06973	1.5
95.08517	2.1
97.10098	0.9
107.08498	1.0
109.10113	1.8
112.04745	0.8
119.08516	1.2
131.08490	1.0
159.86984	0.7
223.16380	0.8
289.32980	0.8
360.15173	1.1
372.13596	0.9
374.16544	1.0
385.14102	1.0
386.15366	1.2
387.15952	1.3
389.17969	0.9
391.19205	2.3
399.16138	2.6
400.16818	2.9
401.17551	4.6
405.20914	1.7
406.21509	1.1
407.22336	4.3
413.17545	3.2
414.18481	5.8
415.19385	9.6
416.15869	1.1
417.20862	2.0
419.22485	1.5
425.17810	1.4
427.19540	1.4
428.20181	5.2
429.21375	9.0
430.21619	2.2
431.18799	1.8
434.20621	1.0
435.21817	2.5
439.19446	1.2
441.16879	2.2
442.17914	2.5
443.18369	5.1
443.22736	4.0
444.18741	5.3
445.20160	3.2
447.17615	1.5
456.19495	2.2
457.20609	6.6
458.21442	3.7
459.17957	2.4
461.19415	1.7
466.19092	0.8
469.16452	1.0
471.22067	8.6
472.23239	5.2
473.19604	6.6
474.20471	2.8
475.17365	1.0
484.18808	2.0
485.19681	2.7
486.20587	6.2
487.21216	3.0
488.21692	1.6
489.18689	1.1
489.23572	2.1
490.19760	3.6
499.21356	10.9
500.21893	3.2
502.19888	1.7
503.24847	4.4
513.19171	1.0
516.21600	2.1
517.22314	8.6
521.25598	2.1
527.20673	2.9
531.23883	14.9
543.23590	1.2
549.25098	9.0
559.23383	100.0
560.23810	3.0
587.22900	17.0
591.26239	1.8
618.27954	0.9
619.25476	97.4
620.25562	2.9
651.28125	25.8
651.39819	1.3
651.44702	1.7
652.28076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2813
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
63.69050	0.8
67.05499	1.2
68.23715	0.7
69.36864	0.7
69.62276	4.3
69.62684	1.6
71.45776	0.8
72.68779	0.8
81.07081	1.8
88.60519	0.9
104.26169	0.7
108.11255	0.8
126.21111	0.9
137.10220	0.9
179.45329	0.8
184.07362	1.6
209.10680	1.0
210.10835	0.9
359.91260	0.7
388.16827	1.0
401.17776	2.2
403.19275	1.7
416.20343	1.4
417.20984	2.3
425.18127	1.1
429.17111	2.1
430.17560	1.0
431.18463	1.8
443.18381	0.9
444.19476	2.5
445.20251	7.7
446.21109	2.3
457.16513	1.6
473.19788	1.9
474.20999	1.1
475.17194	1.7
477.22952	3.5
489.18866	1.2
490.20053	1.7
491.20544	1.0
503.20517	2.2
504.21478	7.6
505.22293	8.1
517.22815	3.9
518.23303	1.3
521.38824	0.9
531.23810	2.4
533.25647	1.4
549.21259	1.6
553.40900	1.9
559.23608	1.5
563.23541	1.2
591.25970	21.1
592.26538	1.5
619.25281	3.6
651.28125	100.0
652.28601	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	646.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51612	3.6
53.03931	9.5
54.19118	3.5
55.01870	9.3
55.05509	43.7
57.03436	18.0
59.04971	4.4
60.65782	3.4
67.05503	91.9
69.03426	7.8
69.07067	28.3
69.56135	8.1
69.56538	25.6
71.04985	6.5
71.08631	23.0
75.04472	4.3
79.05494	64.8
81.03414	100.0
81.07050	82.6
83.04961	16.1
83.08613	30.9
85.02921	4.1
85.06535	8.6
85.75127	3.2
87.04496	3.2
91.05483	66.7
92.05813	3.8
93.07045	67.7
95.04961	40.3
95.08609	38.8
97.06508	14.0
97.10152	28.9
98.21471	7.6
99.08083	13.0
100.03458	3.0
101.80147	3.3
104.39068	3.2
105.07030	55.1
107.04971	16.7
107.08581	38.9
109.02839	3.5
109.06513	10.8
109.10156	31.6
111.04404	5.0
111.08092	10.9
115.05460	4.7
117.07008	13.5
119.08579	33.2
121.06481	11.3
121.10149	25.1
123.08035	8.8
123.11724	5.7
125.09628	25.7
129.06984	17.4
131.08536	29.8
133.06483	11.2
133.10120	30.6
135.08086	10.5
135.11676	16.2
137.09618	8.3
139.11139	5.4
141.06931	3.3
142.07790	3.8
143.08586	10.7
145.10117	17.2
147.08015	4.6
147.11688	19.6
149.09578	15.1
149.13222	14.8
151.11168	15.3
155.08475	5.1
157.10144	19.4
159.11674	10.5
161.13219	7.0
163.11147	14.0
165.12640	3.7
169.10085	4.9
171.11765	6.4
173.11760	6.2
173.13300	4.3
175.11203	15.5
177.12738	7.0
179.14313	5.6
181.12233	5.5
183.11694	7.0
183.24994	3.6
185.13184	5.0
189.11163	18.5
193.08632	5.3
193.12224	37.6
195.11591	4.0
195.13828	5.4
201.12788	4.3
203.14223	4.1
211.13243	3.8
221.15523	5.4
227.12753	34.5
229.14226	9.0
245.13844	8.5
249.14842	4.8
267.15912	94.4
269.17447	31.5
275.20035	6.0
277.21622	31.4
293.21027	16.5
300.23694	3.9
347.17004	4.0
351.25488	29.4
365.23264	5.1
367.24771	4.7
369.24323	8.2
385.25729	4.0
387.25482	4.4
437.25302	11.6
443.27902	13.8
445.29626	8.1
447.27396	6.6
461.29044	90.8
469.33414	4.8
493.31390	13.3
543.36914	58.3
561.37695	12.1
593.40057	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19689	0.6
53.43227	0.6
56.60078	0.6
67.05505	0.7
69.44367	6.5
76.20841	0.6
81.07025	1.1
91.05455	0.7
105.25585	0.6
143.18657	0.7
172.61649	0.6
183.25487	0.6
401.17950	0.9
403.19534	2.0
404.20081	0.9
415.19284	1.2
416.20096	1.1
417.21030	3.6
418.21826	1.3
419.22382	1.1
429.16644	0.7
430.17679	1.0
431.17865	4.3
433.23883	2.7
444.19376	2.6
445.19888	6.1
446.20923	1.4
447.21860	1.4
458.17419	1.0
459.22159	6.4
460.22507	4.5
461.23544	5.0
473.19141	5.6
474.20215	1.3
475.25168	2.1
487.20599	3.3
489.22842	1.8
501.22827	1.4
502.23715	2.2
503.24649	6.4
505.22363	0.8
515.24231	1.0
517.22681	0.7
519.23041	1.4
531.24274	1.3
532.24707	0.9
533.22028	1.0
546.26501	1.3
547.27197	12.1
548.27783	0.8
561.24634	4.0
589.27997	20.9
607.29089	2.4
649.30200	100.0
650.30396	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	646.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
55.05499	6.7
57.03432	2.9
61.12335	2.1
65.03956	2.4
67.05499	13.9
68.11754	1.9
69.07056	4.0
71.04981	2.9
71.64115	2.7
71.64463	2.9
79.05494	11.4
81.03416	5.3
81.07058	14.6
83.04972	5.0
83.08634	4.0
85.06549	4.2
85.20052	1.9
91.05470	17.1
93.07040	15.3
95.04967	6.9
95.08590	8.9
97.06534	5.6
101.93404	2.1
103.05399	2.7
105.07035	27.2
107.04993	3.7
107.08605	11.2
109.05222	1.9
109.10165	5.9
113.66891	1.9
115.05455	7.0
117.06999	16.8
117.40627	1.9
119.08579	14.7
119.09324	2.3
120.08854	2.0
121.06486	3.3
121.10131	4.3
125.09637	4.4
128.06230	11.2
129.06982	18.4
130.07790	2.4
131.08563	23.3
131.62093	2.1
133.06491	3.0
133.10144	12.6
135.08052	3.3
135.11697	2.3
141.06960	16.2
142.07791	21.5
143.08551	30.2
144.09412	3.0
145.06485	5.0
145.10107	20.6
147.08052	3.6
147.11696	5.1
149.06046	2.6
149.09550	2.1
153.06989	9.8
154.07802	6.8
155.08571	22.6
156.09326	11.9
157.06432	4.1
157.10126	46.0
158.10893	6.7
159.08047	7.9
159.11688	50.6
161.09567	3.8
163.11147	3.1
165.07001	16.7
166.07803	7.5
167.08588	9.2
168.09317	18.2
169.10115	42.8
171.08035	4.0
171.11671	23.2
172.08617	2.3
173.06006	3.0
173.09674	8.9
175.11180	5.0
178.07719	2.9
179.08568	9.5
180.09329	7.7
181.06502	2.9
181.10114	31.2
182.10924	9.8
183.08081	4.7
183.11693	38.5
184.08861	3.7
185.05980	3.7
185.09550	12.3
185.13307	5.7
187.07500	6.7
187.11186	6.5
189.12704	3.0
192.09314	9.2
193.08641	2.8
193.10207	8.0
194.10916	2.8
195.08083	4.1
195.11758	19.5
197.09671	5.9
197.13313	5.8
199.07491	3.8
199.11191	26.4
201.09029	3.0
201.12679	13.0
203.10666	4.7
205.10185	3.6
206.10922	2.6
207.11670	11.0
209.09636	7.1
209.13199	6.8
211.11270	5.2
213.09253	2.3
213.12804	4.3
214.43004	2.2
215.10722	6.7
217.12148	4.0
219.11755	2.7
221.13193	2.6
223.11227	9.0
225.09117	4.7
225.12796	5.8
227.10658	100.0
227.12910	4.8
229.08554	3.4
229.12189	5.1
235.11169	5.5
237.12581	2.7
241.12233	9.1
245.11801	6.8
251.10844	5.8
251.42798	2.1
253.12357	3.8
265.12332	2.4
269.11530	17.3
275.16531	3.4
287.12720	9.1
315.12219	6.5
325.16031	2.4
334.96213	2.5
363.21268	2.9
381.22272	4.7
383.23761	4.6
393.22092	25.4
399.23175	3.2
409.21527	11.8
411.23209	44.2
427.22717	17.8
429.24319	13.9
437.21075	8.1
445.23572	7.4
447.25006	3.6
455.22089	13.7
471.25018	2.9
473.23221	11.5
479.30276	5.5
489.26581	2.4
491.24246	5.5
507.28006	2.9
533.24939	5.1
551.26453	3.0
609.38196	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	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.0
55.05505	0.8
65.03932	0.7
67.05494	3.9
69.03414	1.5
69.07057	0.9
70.06541	0.9
71.65975	1.1
76.61285	0.5
77.03863	0.7
79.05486	2.7
80.05013	1.0
81.03392	1.1
81.05795	0.6
81.07042	0.9
82.06532	1.3
83.30547	0.5
85.02909	3.5
91.05476	2.9
93.07034	6.7
94.06562	9.9
95.04929	1.1
95.07333	6.9
95.08572	1.1
96.07536	0.9
96.08125	13.7
97.06520	4.0
98.06857	0.6
100.93205	0.5
103.05473	1.1
105.07031	0.8
107.04948	1.2
107.07304	0.5
108.04470	1.5
108.08106	10.1
109.02834	1.0
109.05641	0.5
109.08891	1.4
110.09666	23.6
118.06570	0.7
120.08096	14.9
121.06487	1.4
122.06017	10.9
127.03878	1.5
132.04420	1.7
134.05986	1.5
136.07558	8.1
137.05972	0.9
138.09129	28.6
146.05977	1.1
148.07536	3.9
150.05501	0.8
150.09143	2.4
152.07068	3.0
154.04855	0.7
160.03931	8.3
160.05185	1.1
161.05952	0.8
162.05481	0.9
164.07024	4.0
166.08627	35.8
167.07040	10.8
167.08482	0.5
172.03859	1.4
174.09216	0.6
178.04974	2.9
181.04881	1.4
186.05249	0.6
197.10789	0.7
199.08749	2.7
204.06578	1.2
207.10397	0.7
210.11357	0.8
211.08627	4.3
211.12299	2.1
212.09477	1.1
212.13203	1.0
213.10315	2.8
213.13818	0.8
215.06508	0.6
220.09868	0.8
221.10538	0.6
222.11557	1.5
223.08560	5.0
223.12195	1.5
224.09348	0.9
224.13011	0.9
225.10223	15.1
225.13751	1.3
226.10986	7.1
227.11790	4.9
233.08147	0.7
235.08458	2.8
235.12259	1.7
236.09407	1.5
237.10216	6.9
237.13737	2.9
238.10948	6.2
239.08142	8.6
239.11768	14.7
240.12465	4.5
241.09760	1.1
241.13197	1.0
248.09248	2.8
248.13097	0.6
249.10243	6.7
250.10919	7.1
251.08159	4.4
251.11769	17.6
252.08984	1.8
252.12587	3.6
253.09703	6.7
253.13335	11.5
254.07773	0.7
254.10464	12.1
255.11099	1.5
255.14862	0.9
262.11041	0.8
263.11774	13.8
264.09384	1.2
264.12549	6.4
265.09741	5.0
265.13342	19.7
266.10474	2.5
266.14050	1.6
266.87427	0.6
267.11270	6.3
267.14807	1.9
269.12936	1.3
271.10809	2.2
275.11850	1.3
276.12732	0.7
277.09763	2.1
277.13333	0.7
278.10474	1.6
279.11282	7.3
280.11975	0.7
281.12848	13.7
282.13559	2.2
283.10754	5.1
283.14368	4.6
284.11426	2.1
285.09399	1.0
285.12311	12.2
285.15134	1.1
286.12885	2.6
291.11340	2.8
292.11929	1.1
293.12796	5.6
294.10321	0.6
294.13681	1.5
295.10721	2.9
295.13937	0.9
296.11484	5.1
297.12277	7.4
298.13132	1.7
299.13904	14.9
303.15875	1.5
304.16220	1.7
307.10745	1.0
308.11365	0.7
309.12311	61.3
310.12842	2.8
311.10205	1.1
311.13815	20.2
313.11945	1.5
319.10681	1.7
321.12210	3.3
323.10117	1.0
324.11093	1.0
325.11847	2.7
326.12500	1.2
327.13361	100.0
328.13773	2.4
330.17816	2.1
337.11804	12.6
338.12531	4.3
339.13345	9.9
341.14932	6.1
344.13672	0.8
357.14542	4.4
358.15219	2.9
359.16000	14.5
359.20514	0.8
369.14435	37.7
370.15118	2.5
371.15967	29.6
372.16577	1.1
386.18726	1.0
402.17926	0.7
403.12753	0.7
404.19705	2.6
414.18051	1.0
416.19681	3.3
417.15421	1.5
430.17719	5.0
432.19196	15.5
433.20135	0.9
442.17606	2.2
446.20956	0.7
448.18585	26.4
460.18658	35.9
461.18744	1.3
474.20242	3.2
480.21274	39.0
481.21713	1.4
490.20059	0.6
492.21246	72.8
493.21649	2.2
506.22824	1.6
523.22919	2.5
524.23926	1.6
595.25635	3.1
613.26617	5.4
627.27917	1.7
645.29041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01873	1.1
55.92494	0.4
57.03421	0.6
61.02917	0.3
61.85367	0.4
65.03938	0.6
65.71063	0.4
67.09223	0.3
67.72146	0.3
69.03413	1.1
70.03447	0.8
70.03866	1.2
70.06564	0.4
77.03945	0.4
77.54620	0.3
79.05494	4.2
81.03413	0.4
85.02897	3.7
91.05465	3.3
93.03383	0.4
93.07037	1.0
95.04953	1.5
97.06494	0.7
99.04488	0.5
101.29913	0.4
103.05476	5.1
104.06232	0.6
105.03394	0.4
105.07030	22.5
106.07333	0.4
107.04961	5.1
107.08566	0.6
109.02881	0.4
109.06518	0.9
111.04463	0.6
115.05441	1.2
117.06992	0.6
118.04156	5.3
119.04939	2.1
120.05736	1.3
121.06522	2.0
122.03680	0.5
122.07263	1.2
123.04437	1.4
123.08043	1.3
124.05204	1.0
127.03931	1.3
131.04903	1.1
132.05673	1.1
133.06496	18.5
134.07315	1.0
135.04420	1.3
135.08047	4.1
137.05969	7.0
145.04951	0.8
147.04427	0.4
148.05179	1.3
149.05986	2.8
150.06758	11.0
151.07527	2.7
155.03329	0.4
161.05997	3.5
163.07553	4.9
165.09113	16.8
167.07045	9.7
168.07428	0.8
173.06067	0.4
177.05464	0.8
178.06239	2.1
179.07025	3.0
180.08771	0.9
181.04910	1.0
181.08585	1.1
193.08604	100.0
194.08981	3.1
195.10197	4.7
196.10509	0.4
209.08073	1.3
211.09651	37.8
303.15781	0.8
351.10843	0.5
418.15826	0.4
644.24451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01867	1.6
55.05510	5.4
57.03443	4.6
60.12143	0.5
61.02637	0.6
61.02921	6.9
67.05496	7.4
69.03403	2.7
69.07047	2.0
70.06598	0.6
70.13223	2.6
70.13632	1.0
71.04976	1.9
73.02886	2.0
74.12335	0.5
79.05491	7.6
81.03408	28.2
81.07049	9.2
83.04966	5.6
83.08615	9.6
85.02421	0.9
85.02904	14.6
85.03417	0.9
85.06464	0.5
91.03956	3.9
91.05478	10.5
93.07038	6.3
95.04966	9.7
95.08619	3.6
95.96359	0.5
97.02884	4.6
97.06501	1.8
97.10144	1.5
105.06486	0.5
105.07030	6.5
107.04948	3.2
107.08571	2.5
109.02899	0.6
109.06522	1.6
109.10149	0.8
111.04456	1.2
111.08069	4.2
117.09429	0.5
119.08563	6.0
121.06540	0.8
121.10123	3.8
123.08026	1.6
123.11701	0.9
127.03905	2.0
129.06992	4.6
131.08553	4.6
133.06493	1.5
133.10146	4.4
137.09641	0.7
142.07726	0.6
145.04938	2.3
147.08063	1.3
147.11678	5.6
149.09608	2.9
157.10112	7.1
163.06012	3.2
165.12753	1.8
175.11185	6.4
193.12234	23.6
211.13274	16.7
267.15909	7.8
279.10266	0.8
285.16943	100.0
286.17288	1.7
352.36215	0.5
429.21225	2.0
447.22238	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	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
53.04156	1.3
55.01864	7.2
55.05257	1.7
55.05510	27.8
57.03445	11.1
57.07063	3.1
65.03932	4.6
67.05503	78.4
69.03442	3.1
69.06703	2.4
69.07065	30.6
69.63870	1.2
69.92138	6.6
71.04996	6.1
71.08592	1.3
74.81100	1.3
79.05488	55.8
81.03409	4.9
81.07055	100.0
83.04973	6.9
83.08623	15.3
85.02914	1.8
85.06532	5.0
90.59373	1.3
91.05476	66.3
93.07043	64.7
95.04964	13.5
95.08605	50.8
95.09229	2.0
97.02895	1.6
97.06536	10.7
97.10191	6.7
99.08080	3.6
103.05464	1.6
105.04497	1.3
105.07027	70.6
106.07360	2.1
107.04951	6.8
107.08591	38.1
109.06521	14.4
109.10149	24.8
111.08081	5.6
113.06069	1.2
113.09675	2.0
115.05434	3.5
115.49698	1.1
116.06201	2.0
117.07010	22.8
119.08575	60.4
120.08885	1.6
121.06501	4.5
121.09293	2.2
121.10140	28.8
123.08076	8.9
123.11704	12.0
125.09637	5.0
128.06238	2.7
129.06993	13.0
131.08556	31.9
133.06520	1.8
133.10127	42.4
135.08076	6.8
135.11678	18.5
137.09607	6.6
137.13234	1.3
139.11192	2.7
141.07007	3.0
142.07790	3.6
143.08548	14.3
144.09396	1.8
145.06470	2.3
145.10103	25.0
147.08047	2.6
147.11681	43.8
149.09579	8.3
149.13260	11.1
149.60968	1.1
151.11194	3.7
153.09122	1.4
155.08560	5.3
157.10127	15.0
159.08044	1.4
159.11673	24.3
161.09567	3.1
161.13249	26.9
163.11165	6.4
163.14816	3.4
165.09169	1.6
165.12778	6.0
167.08600	2.6
169.10121	5.2
171.07874	1.4
171.11670	12.0
173.09718	2.0
173.11781	2.7
173.13234	16.2
175.11208	4.4
175.14812	11.7
177.12749	2.9
179.14224	1.3
181.10197	2.2
183.11717	5.7
185.09627	1.4
185.13277	9.7
187.11159	2.4
187.14838	4.4
189.11246	1.8
189.12794	2.9
189.16388	2.3
191.14323	1.9
193.12199	2.6
195.11769	2.7
195.13661	1.9
197.13271	5.5
199.14859	8.5
201.16341	2.7
207.13728	1.6
209.13268	1.6
213.16373	4.8
215.14401	2.1
215.17873	1.9
217.15865	1.8
217.19478	1.5
223.14853	1.3
225.16422	1.5
229.19533	2.9
231.21114	3.4
239.17978	3.2
241.19510	24.4
243.21033	1.7
249.16418	1.8
257.18976	10.1
259.20575	38.1
261.22058	1.9
267.15805	1.4
273.18512	3.3
275.20081	36.1
277.21582	5.4
289.21439	1.6
291.19601	2.2
293.21066	7.4
315.23193	4.9
331.22964	1.6
333.24228	38.0
334.24631	1.8
335.25818	4.7
349.23767	8.1
351.25333	3.2
361.08008	1.3
365.23422	3.4
367.24802	22.9
472.73212	1.4
501.35699	2.1
513.35828	2.1
515.37573	5.1
527.37103	2.9
533.39606	4.2
545.38391	8.2
551.40765	3.7
607.43317	10.7
625.44708	17.1
643.46234	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57731	0.8
53.03931	1.0
55.01864	2.1
55.05514	5.0
57.03434	1.2
57.07075	1.4
59.06857	0.9
67.05505	11.0
69.07074	4.6
70.26699	2.6
70.27092	1.9
71.05008	1.4
71.08621	1.2
77.82860	0.8
79.05492	11.1
81.03392	2.3
81.07059	13.9
83.04982	2.2
83.08604	3.1
91.05473	6.1
92.39813	0.7
93.07044	9.6
95.04941	3.1
95.08625	6.9
97.06496	2.1
99.08096	1.8
105.07017	6.2
107.04942	1.5
107.08602	4.8
109.06511	2.0
109.10165	1.9
111.08090	1.8
117.07021	2.3
119.08556	3.6
121.10134	3.6
131.08572	3.4
133.10133	4.0
135.08032	1.4
135.11668	3.2
143.08521	1.1
145.10150	2.4
147.11661	1.4
148.43106	0.8
149.13275	2.0
151.11177	2.5
157.10159	1.6
159.11688	1.9
161.13235	1.2
163.11119	1.9
163.38443	0.8
171.11629	1.2
173.13255	0.9
177.12753	1.6
179.14305	2.8
209.11649	0.9
259.20657	1.0
273.18536	1.1
275.20026	2.9
277.21597	5.1
293.96527	1.0
311.16251	1.0
398.13553	0.9
410.13538	1.4
411.14426	4.2
412.15094	1.4
413.16006	1.7
424.15668	1.7
425.16348	9.1
426.16898	5.0
427.17206	2.0
428.18381	1.1
438.12720	1.8
439.13193	6.8
440.18820	1.7
441.19260	23.9
442.19766	1.5
444.02948	0.8
452.14572	2.2
453.15222	8.2
454.15894	3.0
467.17151	18.1
468.17770	10.5
469.18848	13.2
480.17160	1.1
481.14755	11.0
482.15707	2.4
495.16483	2.7
496.17242	10.5
497.17258	1.8
509.18231	1.8
514.22534	1.0
523.19391	1.1
527.22668	1.8
537.19958	1.1
542.21497	1.4
545.38446	12.4
555.22357	21.5
556.22302	3.0
583.21906	100.0
584.22345	10.2
587.25098	1.6
615.24371	7.8
625.28888	4.0
625.44189	2.4
643.23694	17.6
643.45557	1.9
644.23566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
67.05490	0.5
71.09196	0.3
71.09531	0.5
81.07025	0.8
81.19695	0.3
82.14448	0.3
83.08586	0.3
91.05434	0.4
93.07060	0.4
95.08615	0.3
105.07002	0.3
132.11469	0.2
133.10165	0.4
146.79019	0.3
396.12149	1.1
397.12869	1.9
398.13803	0.8
399.14789	0.4
409.13144	1.3
410.13824	2.7
411.14487	6.4
412.15280	4.2
413.16098	2.0
423.10001	0.4
423.14944	1.6
424.10828	0.8
424.16229	2.4
425.16278	11.9
426.16928	9.6
427.17603	2.4
428.18570	1.7
437.16171	1.1
438.12332	3.4
438.17996	0.8
439.13647	16.1
440.13873	1.8
440.19324	5.4
441.19290	36.8
442.19690	3.4
451.18085	0.9
452.14288	3.7
453.15326	18.1
454.15991	6.1
455.16034	0.7
455.21817	0.5
457.14658	0.6
458.15717	0.5
463.14230	0.9
465.14880	0.5
466.11658	0.5
466.17444	0.8
467.17142	27.6
468.17871	16.0
469.18820	13.7
470.18591	1.0
471.16550	1.1
472.17407	0.6
478.16028	0.3
479.17041	0.3
480.17496	1.0
481.14697	13.0
482.15146	3.9
483.15921	0.5
485.18475	1.0
486.19223	0.5
494.16568	0.6
495.15833	2.9
496.17166	10.8
497.17859	2.8
498.18973	0.7
499.19583	1.0
508.19260	0.9
509.18277	2.7
510.19235	0.4
512.20422	1.0
513.20947	0.4
514.22589	2.6
522.17694	0.5
523.19843	1.3
524.20325	0.8
525.17584	0.4
526.19751	0.3
527.23303	3.2
528.23914	0.7
537.19031	0.5
539.19342	0.5
540.19873	0.9
541.20667	0.5
542.21448	0.9
554.21704	0.3
555.22400	34.5
556.22662	3.5
568.19446	0.7
583.21881	100.0
584.22119	9.1
586.20740	0.4
587.24872	2.6
611.21417	1.7
614.23816	1.1
615.24518	13.6
616.24725	1.1
643.23938	61.7
644.24188	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49294	0.5
53.03925	1.2
55.01852	1.4
57.03407	0.5
65.03944	3.3
67.05498	0.8
69.03403	0.8
69.93913	2.0
73.71805	0.5
78.04695	2.9
79.05475	2.1
81.03421	0.6
82.04190	1.1
83.58389	0.5
85.02887	2.2
91.05472	3.6
93.03418	1.4
93.07002	0.9
94.04182	0.4
95.04984	2.4
95.78607	0.5
96.05757	0.4
96.10332	0.4
97.02867	0.6
97.06480	1.8
103.05461	4.0
105.07045	0.6
106.04145	1.8
107.04945	3.8
109.06540	0.8
110.03649	1.6
111.04443	1.5
111.83564	0.5
115.05449	6.3
117.07010	9.5
119.04929	0.7
121.02924	0.6
121.06489	3.1
123.04420	8.2
124.05247	3.2
125.05967	1.4
127.05431	1.5
131.04926	2.0
134.03630	0.8
135.04410	0.7
137.05959	1.9
138.03139	0.8
140.04665	0.8
142.02615	0.6
143.04890	0.8
144.05731	0.8
145.06479	15.7
147.07996	0.8
148.05258	1.0
149.06004	3.4
151.03899	1.7
152.04625	2.6
153.05450	1.5
155.06024	4.2
159.04398	0.8
160.05190	0.9
165.05469	1.1
167.07039	100.0
168.07367	2.5
171.06532	2.2
172.05170	0.7
173.05974	22.0
174.06581	0.7
175.03827	0.5
175.07512	1.0
177.05447	3.9
177.09114	0.4
181.04956	44.1
181.08392	1.3
182.05321	0.7
188.04742	0.7
189.05392	0.6
191.07040	2.1
191.08557	0.5
193.08649	0.5
194.07445	0.5
195.06499	1.1
201.05446	1.2
203.06999	2.3
205.08603	4.8
207.06407	0.6
209.08047	3.8
217.08820	0.6
219.06390	0.8
225.07297	0.5
228.48631	0.5
231.06577	0.9
233.08044	6.2
235.07486	1.1
235.09656	7.7
250.06197	0.7
251.07181	0.6
261.09238	0.6
263.06946	0.6
264.55179	0.5
265.08539	1.2
270.16666	0.5
297.11267	1.0
310.08469	1.0
311.09521	0.6
313.10941	0.7
317.06647	0.7
325.10751	1.4
353.10214	0.6
357.13306	5.6
385.12802	38.2
386.13345	2.3
387.14313	6.4
391.03168	0.8
399.14426	0.8
409.05072	0.6
417.15451	13.5
418.15955	0.7
431.85739	0.5
508.69781	0.6
545.18097	0.8
613.23456	0.7
643.23846	44.4
644.23999	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	643.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01875	2.8
55.05502	0.6
57.03426	0.5
63.18155	0.4
65.03936	5.6
66.04710	0.6
67.05507	2.7
68.99789	0.6
69.03447	2.0
70.95614	1.2
71.01367	0.8
71.05008	1.1
75.04444	0.6
77.03942	0.9
78.04713	1.6
79.05489	5.0
79.35648	0.5
81.03419	4.2
81.07050	1.0
82.00532	0.5
82.04215	1.9
85.02903	5.0
91.05473	5.8
93.03401	1.5
94.04216	0.7
95.04962	4.8
97.02903	1.1
97.06543	2.4
102.04690	0.7
103.05464	15.4
103.06129	0.9
105.03394	3.2
105.07029	5.8
106.04179	0.7
107.04945	7.3
108.02108	0.9
109.02877	0.6
109.06505	3.1
110.03622	2.8
111.04445	2.5
115.05441	6.3
116.06324	0.7
117.07032	4.1
118.04164	4.4
119.04960	2.4
119.08584	0.9
120.05753	0.7
121.06512	1.8
122.03663	1.0
123.04411	6.1
124.05243	2.5
125.05997	4.1
128.06268	0.9
129.07025	0.8
130.04123	1.5
131.04922	18.2
131.08568	1.1
132.05704	1.6
133.02853	3.7
133.06482	7.4
134.03648	0.8
135.04498	0.8
135.08076	1.5
136.05128	0.8
137.05972	7.7
138.03128	1.9
139.07495	0.7
140.04698	0.9
141.07040	0.9
142.02638	1.6
143.04933	1.1
144.05704	1.8
145.06483	6.8
146.03584	1.3
147.04420	1.6
147.08020	1.7
148.05179	10.2
149.05992	2.6
151.03925	2.3
151.07556	2.0
152.04692	1.9
153.05457	7.3
153.06754	0.6
155.05966	0.8
155.07037	2.6
156.05727	0.7
157.06519	1.3
159.08064	1.8
160.05182	0.9
161.05997	7.6
162.06789	0.6
163.07533	17.7
165.05487	5.9
165.09149	0.6
166.02596	0.6
166.06290	0.9
167.07039	55.3
168.07487	0.6
171.06540	5.1
173.05997	8.7
174.06757	0.8
175.07564	3.3
176.04716	2.7
177.05499	1.9
177.09035	1.5
179.07059	1.7
179.08496	0.6
180.07816	2.2
181.04955	100.0
182.05319	2.0
183.06522	0.9
187.07530	3.7
189.05479	0.8
189.09169	0.6
190.06270	1.5
191.07024	81.6
192.07408	2.5
193.05016	3.4
193.08623	3.2
195.06534	3.1
197.08084	1.5
200.16916	0.6
201.05463	1.5
203.07063	2.5
205.08582	4.8
207.06458	5.0
207.07916	0.5
207.10149	2.0
208.07304	4.3
209.08058	2.5
209.09747	0.8
213.05534	0.6
217.08575	2.8
219.08183	0.9
219.10110	5.9
220.07254	0.6
221.06058	0.6
221.08067	1.9
223.09669	0.6
225.05482	0.9
225.07555	13.6
226.08325	2.7
231.06535	1.5
233.08070	6.4
235.07471	1.7
235.09647	6.6
236.08293	0.6
237.09067	1.3
241.08647	0.7
245.08069	1.8
247.07436	1.1
247.09674	1.0
252.07751	1.4
263.09167	15.2
264.07617	0.9
265.08551	0.9
267.10068	2.6
269.08286	0.6
269.11713	0.9
277.08499	0.7
279.06482	0.6
279.09940	0.6
285.07407	0.6
293.08005	0.9
294.08832	0.5
295.09619	1.2
297.10962	2.3
307.09625	1.0
309.07513	1.0
323.09146	1.0
325.10776	3.9
327.12286	1.1
329.10159	0.9
329.13663	0.8
329.17276	0.8
337.10626	1.0
339.12296	1.2
353.10135	0.9
355.11694	1.2
357.13358	4.9
359.14828	0.9
367.11642	1.5
369.13171	1.0
371.14996	0.7
381.13101	0.8
385.12845	8.2
387.14185	2.3
391.40338	0.5
399.14319	2.9
417.15469	9.6
501.04169	0.6
593.19525	0.8
601.67432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.03918	0.9
55.01851	0.6
57.03411	0.4
59.55824	0.3
65.03939	3.2
66.04718	0.4
67.05485	1.7
69.03401	0.9
69.44497	1.0
69.44917	2.4
70.06583	0.4
75.90560	0.3
77.03883	0.4
78.04691	3.0
79.05473	2.9
81.03382	0.8
81.07053	0.5
82.04171	1.2
85.02901	2.3
85.23301	0.4
85.72738	0.4
91.05462	3.7
93.03385	1.4
93.07024	0.9
94.88076	0.4
95.04979	2.4
97.02859	0.5
97.06502	1.4
98.91830	0.4
102.49252	0.4
103.05454	3.9
105.03362	0.5
105.07036	2.3
106.04166	2.1
107.04384	0.4
107.04958	3.9
109.06486	0.8
110.03657	1.7
111.04423	1.0
115.05445	6.1
117.07001	8.9
119.04893	1.0
119.08537	0.4
120.05724	0.4
121.06477	3.0
123.04420	8.2
124.05210	3.4
125.02339	0.4
125.05926	1.7
127.05401	1.1
128.06200	0.4
129.06993	0.5
131.04922	2.8
132.05647	0.4
133.02795	0.4
133.06497	1.8
134.03603	1.0
135.04344	1.0
137.05966	2.4
138.03088	0.6
140.04659	1.1
141.07069	0.4
142.02608	1.5
143.04913	1.0
144.05765	0.6
145.06467	15.8
147.04398	0.8
147.08029	1.1
148.05159	1.6
149.05962	5.1
150.06406	0.4
151.03870	1.5
151.07472	1.2
152.04642	2.7
153.05394	2.0
155.06009	3.2
155.07016	0.6
159.04402	1.1
160.05130	0.9
161.05989	2.5
163.03876	1.3
163.07553	1.3
165.05469	1.5
167.07018	100.0
168.07347	1.5
171.06508	2.8
173.05965	19.9
174.06424	0.6
175.07475	1.7
176.04665	0.9
177.05470	4.1
179.06990	0.9
180.75584	0.3
181.04935	46.7
181.08267	1.6
182.05232	0.5
187.07538	0.4
189.05495	0.4
190.06213	0.5
191.06992	4.9
191.08548	0.5
192.07619	0.4
193.08557	4.3
194.08958	0.9
195.06575	1.4
201.05455	0.9
203.06993	2.5
205.08568	5.7
207.10115	0.6
209.08035	4.5
209.09624	0.5
210.08484	1.0
211.09456	0.8
217.08569	0.6
219.06404	0.7
219.10283	0.4
221.07896	0.6
225.07500	0.6
231.06490	0.8
233.05818	0.6
233.08034	6.7
234.08852	0.4
235.07477	0.4
235.09592	8.1
237.09134	0.7
249.05611	0.4
250.06317	0.5
265.08585	0.8
277.08600	0.6
280.07214	0.4
282.08908	0.6
283.09665	0.6
293.08099	0.4
294.08905	0.5
295.06207	0.5
295.09656	0.6
297.11203	1.2
310.08405	1.0
311.08838	0.5
325.10733	1.4
326.11508	0.9
329.13760	0.5
342.11160	0.5
344.12851	0.4
353.10117	1.2
357.13266	7.0
385.12778	33.8
386.13290	2.0
387.14291	6.3
399.14441	1.1
415.14099	0.8
417.15424	12.0
418.15305	0.5
441.15393	0.5
545.18726	0.5
643.23761	39.7
644.24011	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	642.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
54.04379	0.5
55.01869	2.9
57.03435	1.1
58.78885	0.5
59.51841	0.5
61.02938	0.8
65.03941	2.1
67.05494	1.0
69.03434	1.5
70.06607	0.9
70.69386	1.1
70.69721	0.7
73.02907	0.6
75.04479	2.1
76.84393	0.5
78.04725	1.6
79.05485	3.2
85.02910	9.1
86.20044	0.6
86.50043	0.6
89.03922	1.0
89.06039	0.6
91.05473	9.0
93.03408	9.3
93.07040	4.5
95.04944	3.7
97.02898	0.7
97.06538	2.2
103.05459	7.8
105.07027	15.8
106.04166	20.4
107.04942	2.9
108.05753	0.7
109.06522	1.3
112.01946	0.6
113.02840	0.6
115.05466	2.3
117.06981	0.8
118.04168	2.3
119.04974	1.1
121.06499	24.5
123.04421	1.0
123.08086	0.5
124.05230	0.6
125.05985	7.4
127.03912	2.8
131.04941	4.3
133.06480	13.9
133.07446	1.1
134.03606	2.9
135.04396	1.6
135.08058	1.9
137.05975	10.3
139.07536	1.7
144.06636	0.6
145.02907	0.6
145.04927	2.7
145.06511	0.8
146.03659	0.8
147.04382	1.1
148.05186	3.1
149.05975	37.7
150.06760	3.8
151.07512	2.0
153.05490	1.9
153.09096	8.5
161.05978	16.6
161.07257	1.1
162.07643	1.2
163.03952	0.7
163.06190	0.8
163.07520	2.7
165.09108	7.1
166.06232	1.0
167.07033	4.8
173.06004	1.4
175.07565	3.2
177.04221	0.4
177.05466	15.9
178.06258	6.2
179.07025	1.4
180.08678	2.6
181.04973	2.5
181.08578	17.8
191.07022	24.7
193.08601	100.0
194.09079	1.7
209.08083	75.4
210.08414	1.2
211.09660	10.1
219.93193	0.6
235.09676	11.0
253.10686	8.3
269.12674	0.6
371.15140	0.6
372.10370	0.6
385.12701	1.2
507.76697	0.6
571.98395	0.6
572.07947	0.6
643.23358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01881	13.9
55.05511	40.7
57.03431	11.4
57.07073	13.2
63.39581	3.1
65.03949	6.3
67.05503	100.0
68.99795	3.5
69.03430	5.8
69.07066	30.9
69.32019	15.5
69.32445	16.4
71.04994	7.5
71.08627	3.5
79.05497	75.3
81.03420	7.6
81.07056	87.8
83.04981	14.8
83.08617	18.1
85.06545	5.5
86.09693	6.3
91.05477	78.7
93.07046	71.6
95.04975	27.4
95.08607	55.8
97.02913	3.1
97.06536	15.2
97.10166	12.0
99.08071	3.9
100.11268	19.5
101.11585	8.1
103.05436	3.2
105.07030	61.2
107.04985	20.0
107.08592	47.9
109.06521	12.3
109.10153	26.8
111.04491	3.4
111.08076	10.9
113.06031	4.9
115.05456	3.6
115.14597	2.7
117.07018	28.6
119.04881	3.6
119.08573	48.6
121.06493	10.8
121.10133	22.5
123.04424	5.2
123.08096	7.7
123.11730	6.9
125.05942	3.1
125.09647	8.4
128.06226	8.3
129.07007	21.4
131.08569	38.4
133.06496	12.3
133.10130	50.7
135.08040	10.6
135.11681	21.1
137.09569	5.4
139.07535	3.5
141.06914	6.1
142.07831	4.2
143.08571	23.6
145.06500	4.5
145.10101	32.1
147.08051	8.5
147.11691	24.7
149.09615	9.5
149.13249	8.9
151.11180	12.2
153.06961	2.8
155.08598	11.4
157.06578	4.1
157.10150	20.1
159.08087	8.0
159.11678	31.7
161.09636	10.2
161.13214	14.0
163.11208	10.7
167.08553	4.6
169.10118	15.3
171.11740	18.3
173.09601	5.8
173.13243	16.9
175.11159	5.5
175.14806	6.5
177.12791	4.0
179.08517	4.0
179.14365	5.6
181.10100	6.7
182.05698	3.3
183.11621	13.6
185.13260	13.2
187.11308	4.8
187.14827	3.6
189.12724	4.0
193.10136	3.6
195.11702	8.5
197.13266	10.3
199.07692	4.8
199.14882	5.4
203.14316	3.5
205.15872	3.2
207.11676	4.7
209.13274	6.2
211.14857	6.5
213.16380	4.8
221.13388	3.4
225.16479	3.5
227.12741	4.4
227.17900	4.4
235.14825	5.7
237.16402	3.8
241.19530	8.8
245.18941	4.5
253.14359	11.8
257.18933	4.7
259.20535	15.4
263.20074	3.6
273.18454	10.4
275.20093	11.8
277.21591	4.2
286.15948	3.1
289.18027	9.3
291.19550	14.8
311.23563	3.4
315.23425	3.5
327.22858	4.9
329.17432	3.4
333.24203	12.7
335.25781	5.1
349.23895	5.8
365.23364	13.0
367.18646	3.9
409.31146	8.8
437.30249	3.1
447.30905	3.3
455.31494	4.4
483.34595	4.2
487.34277	19.0
501.35727	18.5
503.37653	6.2
511.34201	8.5
513.36902	5.0
521.39655	3.2
525.35919	5.1
529.35284	6.6
531.38300	9.0
543.36743	18.0
549.39117	11.1
567.40039	8.2
595.40619	10.0
605.42328	14.4
613.44385	11.7
623.43024	43.4
641.30658	5.6
641.43939	47.0
642.44836	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
54.90934	2.8
55.01870	17.0
55.05510	71.3
57.03438	15.7
57.07073	12.7
57.64481	2.4
59.04998	4.6
65.03937	6.2
67.05501	99.8
68.05830	2.6
69.03436	12.7
69.06717	3.4
69.07072	53.5
70.82693	7.8
70.83054	2.4
71.04993	14.2
71.08624	5.0
74.09727	3.1
74.80574	2.6
79.05490	98.6
81.03413	9.5
81.07054	100.0
81.55609	2.7
82.12505	2.4
83.04977	13.8
83.08618	30.0
85.06559	8.4
85.10182	3.5
91.05478	83.6
91.53568	2.6
91.91390	2.3
93.07041	86.6
94.20450	2.4
95.04963	22.3
95.08598	61.2
97.02894	8.2
97.06535	20.9
97.10174	51.1
99.08099	4.7
101.14964	3.1
103.05427	2.8
105.04585	3.0
105.07030	86.9
106.07346	3.4
107.04948	14.2
107.08591	58.3
109.06523	14.4
109.10157	31.4
111.08095	10.7
115.05470	6.4
117.07008	35.5
119.08582	69.2
121.06491	7.1
121.10139	29.4
123.08070	9.6
123.11721	11.0
125.09625	37.1
128.06198	7.4
129.05518	2.9
129.06985	29.0
130.07777	3.0
131.08557	48.2
131.16933	2.6
133.06496	3.0
133.10123	47.7
135.08058	10.8
135.11688	17.3
137.09610	7.7
139.11244	4.1
141.07014	8.8
142.07762	5.5
143.08560	27.8
143.10655	2.8
145.10104	40.5
147.08084	8.2
147.11670	35.5
149.09663	9.1
149.13240	10.0
151.11124	3.1
153.09146	5.2
154.07738	4.4
155.08517	16.5
156.09396	3.1
157.06456	4.1
157.10127	17.1
159.08031	5.6
159.11694	31.6
161.09660	7.4
161.13245	24.0
163.11166	6.6
165.06999	3.7
167.08626	9.7
169.10095	17.0
171.08080	6.4
171.10338	4.2
171.11655	24.4
173.09644	6.3
173.11867	3.8
173.13223	21.9
175.11174	6.4
175.14824	15.0
177.12726	6.2
179.08556	5.1
181.10158	10.3
183.11728	14.1
185.09692	2.8
185.13235	22.3
187.14838	8.8
189.11171	18.3
193.10191	4.6
195.11723	11.0
195.13528	2.6
197.13300	13.3
199.07651	4.1
199.14859	10.2
201.16501	4.2
207.11729	2.8
209.13342	8.0
211.14812	9.0
213.16414	6.8
215.17946	4.7
217.04929	2.4
217.19701	3.1
221.13358	5.0
223.13182	16.7
225.16400	5.8
227.12761	29.5
231.21040	4.8
233.91263	2.7
237.16408	6.0
239.17857	5.7
241.19484	23.7
245.13560	3.9
251.18106	4.0
253.19595	2.7
257.19037	8.2
259.20526	40.6
265.19717	3.1
271.17264	3.0
273.18619	13.7
275.20038	27.8
277.21887	3.1
285.21979	5.1
286.06662	2.6
289.18045	6.7
289.21332	2.4
291.16473	5.1
291.19550	80.5
311.16251	6.1
315.23337	4.7
327.23047	4.1
329.17520	3.9
332.93173	2.5
333.24258	36.7
347.21814	3.4
349.23682	6.3
363.26733	8.0
365.23215	34.8
379.30014	8.8
381.27820	7.9
397.30963	3.8
437.30405	3.7
455.31577	3.3
475.21207	4.2
477.22836	4.3
487.24725	3.5
511.34125	6.3
513.36505	7.5
525.35828	5.8
529.35107	9.5
531.37982	9.9
543.36792	15.7
544.37469	2.8
545.25214	2.9
547.27631	5.1
549.24933	6.4
549.39465	10.0
550.25940	7.7
563.25671	5.4
567.40240	3.5
591.25885	4.7
605.27240	8.8
605.41858	19.3
623.28430	42.2
623.42877	98.9
624.28833	6.8
624.43146	6.1
641.28510	8.6
641.44104	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.0
51.97792	0.9
53.03933	3.5
55.01869	6.8
55.05259	1.2
55.05508	16.0
57.03432	27.0
57.07069	7.9
64.08150	0.8
65.03926	2.7
67.05500	52.2
69.03407	3.4
69.06713	1.1
69.07063	15.0
69.48650	6.6
69.49069	1.7
71.04985	4.3
71.08619	3.7
79.05489	32.2
81.03419	4.5
81.07049	40.4
82.07379	1.2
83.04977	3.9
83.08627	8.4
85.06534	26.1
85.10177	2.0
91.05473	33.0
91.44292	0.8
93.07035	34.3
95.01311	1.2
95.04960	40.9
95.08602	28.8
97.06528	10.1
97.10160	4.2
99.08068	2.5
100.56014	0.9
103.05476	1.8
105.07021	34.0
107.04943	10.0
107.08587	21.0
109.06514	25.7
109.10149	10.2
111.08076	3.4
113.05999	100.0
114.06286	1.0
114.68442	1.0
115.05451	1.9
116.72993	1.0
117.07013	15.7
119.08569	26.0
121.06514	4.2
121.10133	10.7
123.04438	1.4
123.08038	5.8
123.11688	2.8
125.09613	4.9
128.06209	4.1
129.05443	1.0
129.06992	12.8
130.07785	0.9
131.04956	0.9
131.08551	24.5
133.06502	3.0
133.10121	20.3
133.11063	0.6
135.08044	17.3
135.11668	10.7
137.09544	1.4
137.13254	1.1
141.06979	4.9
141.09105	2.5
142.07722	2.3
143.08556	13.6
144.09377	0.9
145.06444	3.1
145.09021	1.3
145.10112	18.7
147.08008	4.2
147.11656	11.9
149.09595	6.7
149.13243	4.1
151.11179	1.7
153.06999	1.6
154.07722	1.0
155.08536	8.7
157.10129	12.5
159.08044	2.7
159.11688	14.1
161.09593	5.6
161.13231	9.3
163.11165	3.6
163.14873	1.0
165.07024	1.1
165.09125	1.5
166.07770	1.4
167.08562	3.9
168.09467	1.0
169.06459	1.1
169.10112	7.4
171.08026	3.9
171.11711	9.0
173.06001	2.0
173.09596	2.1
173.13237	7.4
175.11157	2.5
175.14792	4.1
177.12743	3.0
179.08626	2.1
179.14343	1.8
181.06483	3.4
181.10114	6.0
183.08038	6.7
183.11707	6.4
185.09641	2.2
185.13313	4.5
187.07532	2.1
187.11124	3.9
187.14809	3.8
189.12744	2.2
191.14371	1.1
193.10118	2.3
195.08046	1.4
195.11678	5.2
195.13557	1.7
197.09517	1.0
197.13226	4.8
199.07559	11.3
199.11145	1.7
199.14774	6.0
201.09111	2.0
201.12721	1.4
201.16391	1.6
205.15862	0.9
207.11694	2.3
207.13718	1.1
209.09601	2.3
209.13293	2.8
211.11098	1.0
211.14801	2.9
213.09070	2.0
213.12794	1.1
213.16365	2.4
215.17847	1.6
217.04971	2.2
217.15851	7.4
217.19336	1.1
219.11705	1.1
219.13689	1.5
219.17436	1.3
221.09584	0.9
221.13217	1.7
223.14867	1.6
225.09241	1.6
225.16373	1.8
227.17989	1.6
227.48843	1.0
233.13342	1.4
233.15456	1.1
235.14763	1.5
237.09268	1.1
237.16321	3.6
239.18105	1.3
241.14247	1.7
241.19424	5.2
245.18927	1.2
247.14679	2.0
249.16275	1.2
251.17899	1.9
255.17386	2.0
256.26535	1.0
257.18988	2.8
259.20511	8.9
261.16324	1.1
265.15808	2.9
265.19510	1.0
271.16910	1.5
273.18436	9.5
275.14096	2.5
275.20081	8.0
277.21564	2.1
279.15915	8.0
283.17032	1.8
291.19510	23.9
293.15424	1.6
293.21036	1.4
297.16864	1.6
297.22183	1.4
311.16449	9.8
311.23645	1.2
313.27438	2.6
315.23166	2.4
327.26672	2.1
329.13824	1.4
329.17490	3.0
333.24268	13.8
347.22266	3.3
349.18225	1.1
349.23822	3.7
365.23239	6.6
367.18958	2.5
385.20236	1.3
437.34106	2.0
459.32047	1.4
511.37762	1.8
513.36133	3.6
529.38879	2.8
531.38098	4.4
543.36700	3.7
549.39136	4.1
551.37073	2.3
567.40173	2.9
569.38654	1.8
575.41229	1.0
605.41925	4.9
609.45526	1.7
623.43054	34.6
624.43243	1.4
641.26990	2.4
641.44080	19.5
642.44452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01869	3.8
55.05518	3.5
57.03419	1.3
57.07070	1.4
67.05497	8.9
69.07066	5.3
70.06451	1.3
70.06862	3.4
71.04990	2.0
71.08626	1.6
77.50931	0.8
79.05487	7.5
81.03403	1.2
81.07053	10.0
83.04971	1.2
83.08613	1.9
91.05484	8.2
93.07043	7.1
95.04974	2.5
95.08607	5.2
97.06515	4.0
97.10200	1.4
97.78295	0.7
105.07025	8.1
107.04953	2.1
107.08598	4.5
109.06484	0.9
109.10157	3.2
117.07027	2.8
119.08562	4.5
121.10165	2.1
125.09616	1.0
129.06969	1.5
131.08583	2.7
133.10133	3.8
134.09636	1.0
134.14690	0.8
135.07999	0.9
135.11676	1.9
143.08606	1.1
145.10141	3.1
147.11690	2.2
149.09654	2.1
155.08548	0.9
157.10143	1.6
159.09267	0.8
159.11667	1.8
161.13283	1.5
163.11186	1.0
171.08089	0.9
171.11606	1.0
173.13266	1.9
179.14352	1.5
183.11853	0.8
187.62593	0.8
189.02367	0.7
194.09636	1.0
196.09938	1.6
197.20547	0.7
199.07500	1.4
199.12366	0.8
208.11235	1.2
209.10750	1.8
210.11415	1.4
211.12315	1.3
223.12283	1.8
224.13118	2.5
225.13829	4.0
227.11754	1.8
234.11670	0.7
237.13971	1.8
238.14774	2.2
239.11899	1.7
239.15439	3.2
249.14029	1.0
251.15492	1.2
257.19022	1.6
272.11917	0.9
275.20071	9.3
276.14944	1.3
281.12659	1.4
290.16583	2.1
292.18085	1.4
300.15158	1.7
304.14578	2.2
304.18137	2.2
305.15466	1.1
305.18869	1.8
307.10803	1.1
311.16583	1.3
313.15714	1.8
318.15985	2.4
319.16882	2.2
328.18332	1.1
330.15823	1.7
331.17242	1.5
332.17676	2.5
334.19208	2.0
335.26019	1.0
341.15359	0.9
344.17734	2.0
346.19342	1.1
349.23734	2.1
354.12476	1.2
360.20868	1.6
365.23334	0.9
367.19604	1.0
375.19638	1.0
384.17065	2.8
387.19873	1.0
390.21964	1.4
391.19220	1.7
392.19916	4.3
393.20532	2.9
403.19409	2.1
404.20093	1.4
405.20999	3.0
406.21439	5.8
407.22220	7.9
408.23166	2.0
412.16544	3.3
415.19308	1.8
416.20392	1.3
417.21027	2.3
418.22116	1.0
419.22543	3.5
420.23337	3.5
421.23746	9.4
422.24335	13.8
426.18280	1.2
427.18890	1.2
429.20978	1.4
430.21716	2.2
431.23004	1.5
432.19360	1.2
433.23938	2.5
434.18073	1.7
434.24396	8.5
435.22165	1.2
444.18933	6.4
447.18192	0.9
448.19489	1.8
449.23587	1.4
459.21661	2.4
461.19351	1.9
462.20572	3.1
463.21152	9.1
474.24393	1.1
475.21301	3.4
476.20850	2.3
477.23154	5.8
485.23807	1.1
487.24899	2.4
489.22864	1.2
491.24673	4.3
494.26776	2.8
495.27768	2.8
503.23572	1.2
505.26172	1.1
507.24042	0.9
508.22708	2.6
517.22107	1.4
518.23187	1.5
520.20941	2.1
523.27350	1.2
531.24060	1.2
532.23694	1.2
534.22058	1.3
535.26410	1.2
543.36841	1.8
545.25476	8.9
546.25537	1.3
547.27051	10.7
548.24933	0.9
549.24969	19.9
550.25635	6.0
561.21478	2.3
563.26367	7.1
564.27454	2.1
565.27850	2.1
576.23480	2.3
577.24432	1.0
579.29858	3.2
581.27179	1.3
591.26001	56.3
592.26184	1.3
605.27673	8.7
608.26581	1.3
609.27063	16.5
623.28625	100.0
624.28888	2.7
641.29193	12.3
641.44958	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	641.2964
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03941	0.8
55.01857	1.9
55.05513	4.9
57.03430	1.1
57.07054	2.1
67.05496	10.6
69.03433	1.1
69.07070	6.0
71.04979	1.7
71.08624	1.0
71.65710	0.7
71.66123	0.8
79.05488	9.3
81.03416	1.7
81.07063	8.9
83.04962	2.2
83.08603	4.3
85.06528	0.9
86.09707	0.6
87.96053	0.7
91.05478	7.8
93.07041	8.6
95.04975	1.4
95.08601	7.2
97.06534	2.4
97.10157	2.3
97.39708	0.8
99.08080	0.8
105.07013	7.3
107.04960	2.4
107.08593	5.7
109.06479	1.0
109.10147	3.3
111.08057	0.9
117.07015	3.6
119.08582	5.5
121.10137	3.3
123.08086	1.3
123.11692	1.5
125.09617	1.7
129.06990	2.1
131.08551	4.0
133.06482	0.9
133.10133	4.2
135.08012	1.6
135.11636	1.9
143.08606	1.6
145.10129	3.6
147.11664	3.5
147.59970	0.7
149.09622	1.6
149.13239	1.2
155.08548	1.8
157.10138	2.0
159.11713	2.3
161.06018	0.9
161.09619	1.3
161.13324	1.2
163.24231	0.8
171.11667	1.3
173.06039	1.0
173.13188	0.7
177.12785	0.8
183.11714	0.9
184.07408	1.5
185.13231	1.6
191.27304	0.7
195.11685	1.0
217.05768	0.7
225.14052	0.8
227.12794	1.3
235.12363	1.0
241.19536	0.8
257.18970	1.1
259.20618	1.9
275.20139	5.0
289.18127	1.3
291.19614	4.0
311.16577	1.3
329.17538	1.3
333.24301	1.0
349.23575	1.0
362.65991	0.7
365.23370	2.1
384.59708	0.9
389.17651	1.3
391.19116	1.0
392.19904	1.7
401.17514	1.4
402.18713	2.1
403.19168	3.2
404.20349	2.2
405.21130	1.7
406.21576	1.1
407.22192	2.5
415.19272	1.9
416.20074	2.8
417.20853	5.1
418.21561	3.0
419.22220	2.9
420.23160	1.2
421.24133	2.0
428.20370	0.9
429.21283	4.1
430.21628	3.0
431.23270	3.7
433.23999	8.5
434.24207	1.2
435.21729	2.3
443.22684	2.3
444.23138	2.2
445.24875	4.3
446.24701	1.6
447.17471	1.1
447.25488	2.6
448.18979	1.9
449.23697	1.4
457.19672	1.2
458.24969	1.0
459.21826	3.2
460.22684	3.8
461.19852	2.3
462.20035	4.4
463.21152	6.0
471.21899	1.3
472.22556	2.0
473.23654	6.7
474.24402	3.7
475.21222	7.4
476.22031	2.2
477.22821	19.1
478.23395	1.1
485.23544	1.4
487.24948	8.0
488.25705	1.3
489.22690	2.5
490.23834	0.9
491.24432	6.8
494.27228	1.3
503.25204	1.4
504.25247	1.4
505.26187	3.0
506.26837	3.1
515.24365	2.7
517.25977	0.8
518.23047	1.5
519.27594	3.1
523.26990	1.4
532.25024	1.3
535.22656	3.4
543.36993	2.9
545.25446	9.0
546.25879	1.7
547.27045	19.4
549.24963	15.0
550.25659	20.9
563.26752	4.5
564.27380	2.9
577.27856	3.0
579.29694	11.3
591.25946	17.2
605.27484	25.7
606.27814	1.1
609.26031	1.4
617.17847	0.8
623.28625	100.0
623.42841	4.1
624.28802	5.6
633.27502	0.8
641.19324	1.4
641.28967	2.4
641.44073	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	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19345	0.4
53.03943	0.6
55.01860	1.1
55.05515	3.2
57.03423	0.9
57.07064	1.7
61.02903	0.4
67.05505	7.5
69.03410	0.5
69.07070	2.9
71.04984	1.2
71.08628	1.5
71.64352	0.5
79.05487	6.2
81.03416	1.3
81.07057	8.0
83.04976	0.8
83.08626	2.1
85.02880	0.5
85.06518	0.6
85.10175	0.5
91.05479	6.5
93.07049	5.4
95.04974	2.0
95.08618	4.1
97.02893	0.5
97.06527	1.6
97.10181	1.1
99.08060	0.6
103.05502	0.6
105.07021	6.5
107.04942	0.8
107.08582	5.7
109.06532	1.0
109.10158	2.7
111.08112	0.7
115.05487	0.6
117.07027	2.8
119.08577	5.1
121.06519	0.9
121.10152	1.9
123.08088	0.9
123.11720	0.7
125.09628	0.7
128.06229	1.8
129.06984	2.8
131.08553	5.8
133.06511	0.6
133.10129	3.1
135.08078	1.0
135.11685	1.0
141.06985	2.0
142.07803	1.7
143.08565	4.6
144.09366	0.6
145.06467	1.1
145.10109	4.7
147.08037	0.7
147.11719	1.7
149.09665	1.1
151.11208	0.8
153.07014	1.7
154.07770	0.5
155.08577	5.4
157.06569	0.7
157.10138	4.2
158.10941	0.5
159.08084	1.5
159.11690	3.6
161.13217	0.8
163.11179	0.9
165.07076	0.5
166.07761	0.5
167.08609	1.7
168.09332	4.0
169.06610	0.6
169.10136	2.1
171.08093	1.3
171.11749	1.1
173.06026	1.1
173.09692	1.2
173.13280	1.9
175.11266	0.4
179.14423	0.5
181.06424	2.2
181.10156	1.2
182.10909	0.8
183.08078	1.6
183.11705	8.7
184.07343	0.5
185.13326	0.9
187.07562	2.0
187.11223	0.8
187.14850	2.4
189.12711	0.4
193.10135	0.9
193.12392	0.5
195.11754	1.1
197.09572	0.5
197.13229	3.3
199.07542	4.9
199.11313	0.4
201.09253	0.6
201.12727	2.2
207.08070	0.7
209.09634	1.1
209.13377	0.6
211.11235	1.6
215.14343	6.8
217.04955	0.5
227.12807	0.9
229.12225	4.6
233.15442	0.5
237.16429	0.6
247.13268	1.0
264.66022	0.4
265.15973	0.7
275.13834	0.6
275.16498	7.1
275.20099	2.2
277.21686	1.4
283.16919	0.5
293.15506	1.2
311.16537	3.0
313.27426	1.5
329.17535	1.7
349.18179	0.7
349.23688	0.8
367.18991	1.0
369.62143	0.4
377.17688	0.9
379.19244	0.9
385.20200	0.9
389.17978	0.4
391.19263	1.2
392.20078	0.8
393.21240	2.1
403.86035	0.4
405.16895	1.5
405.21222	1.1
406.17526	0.9
407.22629	5.2
419.18161	2.8
420.19528	1.7
421.20062	5.1
423.22000	1.2
431.18793	0.6
433.20380	4.9
434.21365	3.8
435.17300	0.6
435.21954	8.7
436.22678	1.4
447.17102	0.7
447.22180	1.5
448.18802	0.7
449.19583	11.1
461.23825	0.7
462.20566	1.7
463.21188	4.3
464.22131	2.2
467.24445	1.1
475.21579	0.6
477.22943	1.2
479.20416	0.9
481.22607	1.4
489.22565	0.5
493.21750	2.0
494.22772	3.7
495.24011	3.4
507.24051	4.1
508.24457	0.7
509.25620	0.6
521.25775	6.5
522.25922	0.9
523.27087	0.8
525.36072	0.5
535.23340	5.1
543.36829	4.7
549.24939	1.5
550.25781	0.7
553.27344	0.8
555.38995	0.4
563.26807	1.1
566.24902	0.6
567.25964	1.1
581.27649	31.2
582.27802	1.6
595.25531	3.9
609.26898	0.8
613.30151	0.8
623.26605	0.5
623.42633	2.1
641.29700	100.0
642.29803	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	641.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
57.07068	4.7
67.05492	6.2
69.07053	1.9
70.24898	1.5
71.08633	2.5
71.26059	3.5
71.40051	1.7
75.99986	1.3
79.05495	3.2
81.07043	6.7
82.10246	1.9
83.08631	1.5
83.88896	1.5
85.97061	1.6
91.05474	3.0
93.07062	3.8
95.08630	3.9
98.96410	1.5
105.07014	2.5
109.10152	2.0
119.08511	1.7
133.10104	3.2
135.11691	1.7
221.00684	1.9
275.20187	2.8
313.27338	6.9
314.27927	1.8
443.18243	2.2
445.20139	2.2
446.21875	1.9
448.74380	1.6
459.21744	10.0
460.22128	3.3
465.14752	5.8
467.20392	1.9
473.22964	1.6
479.15985	10.0
480.16830	2.6
481.18094	1.9
485.23383	2.4
487.25143	2.2
493.17957	3.1
493.38831	1.9
494.18646	8.9
495.19421	6.4
507.40802	6.0
508.41458	2.1
538.73560	1.7
539.18188	1.9
545.25562	5.0
556.38422	1.6
581.23126	25.2
605.27612	2.6
641.25177	100.0
642.25671	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	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03946	0.3
55.05507	0.4
67.05504	1.3
67.82652	0.2
69.07062	0.4
70.88631	0.6
70.89011	0.3
71.08630	0.2
71.90874	0.2
73.95123	0.2
79.05485	1.2
81.03413	0.7
81.07063	1.3
83.04987	0.2
83.08639	0.3
84.15929	0.2
90.31976	0.2
91.05473	1.1
93.07030	1.4
95.04944	0.4
95.08617	0.5
97.06537	0.3
99.08096	0.3
105.07027	0.9
107.04941	0.3
107.08594	0.8
109.10190	0.3
117.06961	0.3
119.08574	0.7
121.10152	0.5
131.08565	0.4
133.10117	0.6
133.97144	0.2
135.11613	0.3
145.10141	0.4
147.11652	0.3
149.09631	0.2
157.10153	0.3
159.11627	0.3
171.11714	0.2
179.14339	0.7
223.12352	0.3
239.90186	0.2
248.93967	0.2
249.10271	0.2
257.19119	0.3
275.20142	0.8
277.21661	0.7
297.81458	0.2
311.16678	0.2
314.12903	0.4
328.14572	0.2
330.16180	0.3
349.23795	0.3
362.15173	0.3
363.16367	0.2
377.17657	0.9
378.18530	0.4
379.19238	1.0
380.20016	0.3
384.13791	0.2
390.18365	0.3
391.14899	0.3
391.19574	1.4
392.20044	0.7
393.21021	2.0
395.22617	0.5
404.20407	0.4
405.16498	2.5
405.21060	0.8
406.17395	1.5
406.22476	0.3
407.18546	0.6
407.22665	4.4
408.22931	0.6
418.17798	0.7
418.22504	0.3
419.18390	3.3
420.19107	1.8
421.15247	0.3
421.20181	4.6
422.21030	0.5
423.21616	1.2
433.20200	5.2
434.21231	4.2
435.21970	7.3
436.22852	1.1
437.23474	0.3
446.20706	0.2
447.22751	1.2
448.23151	0.6
449.19574	8.6
450.20248	0.6
453.23328	0.3
461.23560	0.7
462.20245	0.5
463.21045	3.3
464.22095	2.0
465.19254	0.8
467.24298	0.7
475.21112	0.3
476.21939	0.6
477.23071	0.9
479.19778	1.5
480.21347	0.6
481.22272	2.2
491.24356	0.3
493.21637	2.7
494.23090	3.3
495.23795	3.2
496.24646	0.3
505.23007	0.4
506.23083	0.3
507.24036	2.1
508.24039	0.2
520.24207	0.4
521.25745	10.1
522.25989	0.5
523.26581	0.8
535.23370	0.7
539.22095	1.4
543.36707	2.4
549.24963	0.8
550.25513	0.4
551.26709	0.5
553.25079	0.8
563.26703	1.0
567.26074	0.5
580.26776	0.3
581.27631	18.3
582.28082	0.9
595.25342	0.3
609.26984	0.6
613.29663	0.3
623.42523	0.3
641.29639	100.0
642.29962	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01865	7.7
55.05314	2.4
55.05515	30.1
57.03194	2.7
57.03429	18.7
57.07058	3.0
61.02926	4.3
65.03926	6.2
67.05504	58.0
68.05849	3.1
68.90366	2.7
69.03428	19.8
69.07063	20.7
70.06577	8.6
71.04987	8.3
71.62580	6.0
73.02901	3.3
73.94234	2.2
77.49111	2.7
79.05060	5.0
79.05494	57.9
81.03419	100.0
81.07062	57.5
83.04979	40.5
83.08625	18.8
84.08128	2.9
85.02897	21.5
91.05482	83.2
93.07039	54.3
95.04381	3.4
95.04974	46.4
95.08614	25.7
97.02882	22.0
97.06518	11.8
97.10156	7.0
97.61346	2.8
99.04463	4.1
102.33529	2.8
103.05473	2.6
105.07027	57.1
107.04964	27.3
107.08611	21.7
109.02863	13.2
109.06523	9.6
109.10134	12.1
111.04474	13.2
111.08055	10.8
115.05474	4.1
117.07012	14.9
117.97762	2.7
119.04943	5.6
119.08570	36.2
121.06487	9.1
121.10132	15.1
123.04477	3.9
123.08035	6.5
125.09618	4.2
127.03938	14.0
128.06261	4.7
129.05478	4.7
129.07001	27.4
131.08553	25.8
133.06522	5.8
133.10129	31.2
135.04440	3.3
135.11665	7.7
137.09688	4.6
141.06937	4.0
142.07764	6.7
143.08554	7.9
145.06497	5.1
145.10112	11.3
147.04398	2.8
147.08043	9.0
147.11673	30.1
149.05971	2.7
149.09605	9.9
155.08560	6.0
157.06511	4.4
157.10132	26.4
159.11693	4.3
163.03897	22.6
163.11176	12.3
165.06972	3.5
165.12749	7.2
171.11758	4.9
175.07574	5.4
175.11160	22.9
176.11838	5.2
183.11673	3.1
185.09666	3.2
191.10651	3.2
193.12263	49.0
195.11740	3.0
198.97522	2.8
199.03914	3.2
199.07628	3.8
201.05435	4.2
209.11638	5.1
211.13280	39.2
213.05466	3.4
227.12753	7.9
232.07101	3.4
243.15970	3.1
248.91426	3.0
249.14859	4.5
255.13657	2.7
267.15936	93.5
283.15305	3.1
284.16107	2.9
285.17014	10.0
287.05533	3.9
337.14362	4.4
355.15479	4.2
357.24695	2.9
385.23627	3.8
429.20303	11.2
441.26025	4.8
447.20782	3.8
459.27502	84.0
460.27948	4.0
477.28406	23.5
565.27795	3.9
621.32513	38.4
639.16815	3.5
639.31299	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01876	5.1
55.05252	1.4
55.05510	19.7
57.03230	0.8
57.03436	9.7
58.54879	0.8
65.03934	2.2
67.05502	27.0
69.03429	14.9
69.07063	7.1
69.57587	7.6
70.06593	2.2
71.01342	1.7
71.04993	7.1
79.05048	1.9
79.05489	27.3
79.05944	1.3
81.03414	100.0
81.07052	31.8
82.03732	1.0
83.04976	20.1
83.08130	1.4
83.08616	21.8
85.02901	24.6
85.03423	1.3
85.06535	2.6
91.05478	31.3
93.07038	21.0
95.04963	29.0
95.08600	12.1
97.02892	15.9
97.06538	6.8
97.10165	6.7
99.04455	4.2
99.08070	1.9
102.50504	0.9
105.04530	0.9
105.07029	23.6
107.04260	1.1
107.04938	8.6
107.08591	11.3
109.02875	16.6
109.06508	6.3
109.10143	4.8
111.04439	13.5
111.08067	10.3
113.05988	1.4
115.05484	2.1
117.07040	4.2
118.53872	0.8
119.04976	1.6
119.08579	18.4
119.58934	0.8
121.06518	3.3
121.10130	11.6
123.04437	2.3
123.08048	3.8
123.11692	2.8
125.05963	1.1
125.09605	2.9
127.03913	8.7
128.06245	1.8
129.05490	2.1
129.06995	13.7
131.04926	1.3
131.08565	14.9
133.06474	4.0
133.10124	10.2
135.04413	1.3
135.08058	1.6
135.11676	2.4
137.05981	2.1
137.09619	2.4
137.34866	1.0
142.07767	2.3
143.08655	1.3
145.06517	1.7
145.10129	3.0
147.04424	2.4
147.08057	3.7
147.11681	15.5
149.06004	2.7
149.09604	6.2
151.03923	2.0
153.09158	0.9
153.12749	3.2
155.08575	1.1
157.06514	1.3
157.10120	13.1
159.07948	1.1
161.05952	1.1
163.03920	2.6
163.11148	4.5
165.05598	0.9
165.09209	1.8
165.12761	4.6
171.08148	1.1
173.05920	1.5
173.09624	1.9
175.11182	14.1
177.12711	1.0
181.10159	1.2
181.12270	3.7
185.09605	0.9
185.79333	1.0
187.07614	1.1
187.11200	1.1
189.11281	2.0
189.12831	1.3
191.10680	3.6
193.12241	44.1
194.12695	1.2
195.13660	0.9
211.13287	66.8
212.13530	1.0
219.13844	0.8
227.12679	6.2
229.14311	1.7
235.13387	2.8
241.14624	0.9
249.14949	1.6
253.14554	1.0
267.15936	17.1
271.13147	0.9
273.14838	1.4
277.14340	1.7
279.51752	0.9
285.17007	9.9
301.14108	4.1
309.16702	1.3
319.15491	3.0
337.16528	3.3
355.17545	6.8
375.17938	1.7
385.23825	1.8
393.19022	2.3
411.20303	3.7
429.20978	2.9
459.27408	7.3
477.28625	7.5
495.29660	12.1
501.28311	1.0
519.29962	1.2
585.30768	2.4
603.31732	2.6
621.32489	7.5
639.24426	2.0
639.33655	36.3
640.33655	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
53.03938	1.0
53.90974	1.0
55.05513	2.5
56.45858	1.0
57.03427	1.4
57.07084	1.1
67.05504	4.3
67.22542	1.0
69.07064	1.5
71.04968	1.4
71.37931	1.6
71.38256	1.8
79.05491	2.8
81.03411	1.4
81.07056	3.6
83.08604	1.2
91.05476	3.2
93.07061	3.4
95.04964	2.2
95.08606	2.2
105.07047	6.2
107.08592	2.3
109.06532	1.3
109.10138	1.3
109.47925	1.1
117.07029	1.7
119.08579	2.9
131.08513	2.2
141.99767	1.4
143.08620	1.1
144.08026	1.4
157.10109	1.5
159.11748	1.4
163.11263	1.0
207.09123	1.5
209.10692	1.4
210.11438	1.3
221.10741	1.9
222.11444	1.5
223.12384	2.1
224.13054	1.6
225.14011	1.6
233.10809	1.2
235.12421	1.9
236.13052	1.7
237.13913	4.1
238.14629	3.1
239.15463	2.0
249.13950	1.9
250.14719	1.2
251.15369	2.6
261.13882	1.8
264.12726	1.5
279.14935	2.3
285.72653	1.2
299.10364	1.3
302.16544	1.5
311.15781	1.0
342.15787	1.2
364.17044	1.1
365.17871	2.2
377.18225	1.3
378.19437	1.4
379.19330	2.1
387.15805	1.3
391.19604	2.1
392.15903	1.3
392.20581	1.4
393.16882	2.3
403.19254	1.3
406.17325	1.4
407.18701	3.8
410.20892	2.0
421.20221	2.0
422.21417	1.9
423.21829	2.4
431.18359	2.1
434.18414	1.2
435.17874	2.5
445.19687	2.1
447.18719	1.5
449.19629	3.4
450.20673	2.1
451.21799	1.8
467.21005	2.3
481.26486	2.1
491.20496	1.4
493.22241	2.5
494.23450	2.6
505.21097	1.6
509.25742	15.7
510.25946	1.2
519.23529	3.6
522.22845	2.5
537.25079	12.8
538.25085	1.5
547.23639	1.5
551.26807	5.8
554.24615	1.3
561.24872	4.2
565.24426	17.9
567.30237	3.1
569.27527	21.4
579.26019	4.7
589.23828	1.7
596.26318	2.9
597.27069	100.0
598.27356	4.1
607.25403	7.9
611.28632	13.0
621.27039	11.1
622.26062	2.0
639.27606	43.2
639.43445	2.3
640.27777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
51.39977	0.7
53.03943	7.2
55.01857	5.6
55.05254	1.1
55.05505	16.5
57.03429	9.9
59.05006	1.0
65.03915	1.3
67.05498	23.4
69.03423	13.4
69.07060	6.1
69.50444	3.1
69.50883	3.3
71.04981	6.1
79.05486	26.2
81.03409	100.0
81.07049	29.4
81.07430	0.6
82.03748	1.0
83.04973	19.2
83.08609	22.8
85.02895	25.0
85.06527	2.4
87.04443	0.8
91.05470	32.3
93.03404	0.9
93.07039	15.8
95.04961	29.3
95.08602	9.9
95.38056	0.7
97.02885	12.6
97.06522	6.6
97.10154	6.9
98.21454	1.4
99.04432	4.3
99.08076	2.2
103.03944	1.0
103.05441	1.8
105.07018	22.3
107.04945	8.8
107.08585	7.8
109.02123	0.9
109.02867	15.8
109.06502	6.2
109.10105	4.1
111.04424	11.7
111.08073	9.9
113.05997	1.8
115.05446	2.1
117.07002	3.7
119.04917	2.1
119.08569	21.6
121.06501	3.1
121.10125	10.6
123.04374	2.1
123.08066	2.8
123.11677	1.8
125.06018	1.1
125.09617	4.5
127.03904	8.8
128.06300	0.9
129.05486	3.0
129.06992	12.2
131.04878	1.2
131.08557	11.7
133.06474	4.6
133.10126	9.2
135.08064	1.7
135.11694	2.9
137.06024	0.8
137.09639	1.9
141.07007	1.0
142.07791	3.6
143.08554	1.0
145.06493	1.3
145.10159	3.9
147.08060	3.1
147.11668	18.5
149.06013	1.5
149.09613	6.0
153.09050	1.2
153.12746	1.6
157.06470	1.2
157.10101	14.7
159.08069	0.8
161.05888	1.1
163.03917	1.3
163.11134	3.6
165.12776	4.8
168.48552	0.7
171.08018	1.2
173.04532	2.0
173.09627	1.6
175.11159	13.8
181.10130	0.7
181.12129	4.2
185.09598	0.8
185.13214	0.9
189.05522	1.4
189.11212	2.1
189.12805	0.9
191.10677	3.0
193.12230	48.0
194.12506	1.0
205.12294	0.7
209.11708	1.6
211.13274	69.2
212.13686	1.2
213.14941	1.2
216.12460	0.7
221.98651	0.7
227.12761	6.5
229.14302	2.2
235.13309	2.3
241.12457	0.8
249.14946	1.8
255.13663	1.1
265.14499	0.8
267.15903	18.2
273.14883	2.8
283.15454	3.2
285.16971	11.7
301.14212	3.8
309.17108	1.0
313.16476	0.9
319.15475	2.4
337.16522	4.2
355.17624	7.8
367.22711	2.2
375.18213	1.4
385.23746	3.4
393.19183	4.0
403.24707	0.9
411.20108	6.7
429.21164	3.5
459.27301	7.6
472.78308	0.8
477.28485	9.6
493.27252	0.8
495.29526	14.7
503.38477	0.8
511.29016	2.0
519.29126	1.3
585.30664	1.4
596.50092	0.8
603.31482	2.4
614.66949	0.8
621.32684	8.7
622.32928	1.1
639.33667	40.3
640.34021	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05505	0.5
57.03443	0.5
57.07056	0.3
67.05503	1.2
69.07084	0.7
70.24189	0.8
70.24609	0.7
79.05492	1.1
81.03436	0.4
81.07052	1.3
83.05005	0.3
83.08609	0.7
84.15865	0.3
91.05489	1.6
93.07056	1.3
95.04952	0.7
95.08617	0.8
97.10180	0.4
105.07025	1.0
107.04967	0.4
107.08581	0.6
109.06538	0.3
109.10140	0.5
117.07043	0.6
119.08604	0.6
121.10205	0.5
123.08054	0.3
125.09751	0.3
128.36919	0.3
129.06973	0.3
131.08524	0.6
132.89601	0.3
133.10133	0.7
137.09689	0.3
143.08585	0.3
145.10153	0.5
161.13275	0.3
273.18469	0.3
275.20190	0.5
286.13828	0.3
291.19440	0.5
342.15826	0.3
375.16382	0.3
377.17749	0.6
378.18637	0.4
379.19202	0.7
389.17737	0.7
390.18491	0.7
391.19525	1.7
392.20148	0.9
393.20895	1.2
402.19083	0.3
403.19601	0.7
404.15884	0.6
404.20544	0.5
405.16187	1.6
405.20990	1.2
406.17950	1.1
406.22357	0.6
407.17786	0.5
407.19229	0.6
407.22803	3.1
408.23093	0.8
417.16849	0.5
418.17969	1.3
419.18433	2.7
420.18942	1.5
421.20227	2.9
422.21078	0.3
423.21783	0.8
431.18521	0.4
432.19623	0.6
433.20175	10.0
434.21140	4.1
435.21991	5.5
436.22665	0.9
437.23358	0.3
445.20340	0.6
447.17017	0.5
447.22137	1.2
448.18372	0.5
449.19678	6.2
450.20349	0.5
451.21210	0.6
461.19656	1.3
463.22076	2.0
464.22586	2.1
465.23062	3.9
466.23734	0.5
477.19269	0.9
479.19864	1.4
487.21140	0.5
491.20584	0.9
492.21414	4.6
493.21982	5.1
494.23523	0.4
503.24396	1.8
505.22382	2.4
506.23053	0.5
507.23456	1.8
519.24469	1.4
520.24628	1.1
521.25604	10.0
522.26245	0.7
523.27081	0.8
531.23450	0.3
533.22107	0.6
535.23169	0.4
537.23444	0.7
547.23065	0.6
549.25208	0.5
550.26367	0.5
551.26172	1.3
561.24957	0.6
565.24469	4.4
575.23138	0.8
579.26080	16.5
580.26526	3.1
581.27771	2.1
597.27002	0.7
607.25378	4.4
639.28119	100.0
640.28705	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.21604	0.2
61.79666	0.3
64.68650	0.3
77.34293	0.3
78.60943	0.3
93.99209	0.4
98.21517	0.5
107.81959	0.3
129.73592	0.3
209.10760	0.4
221.10887	0.3
229.40808	0.3
232.31946	0.3
237.13945	0.6
249.14131	0.3
268.03720	0.3
298.13470	0.5
299.14307	0.3
326.16522	0.4
328.17804	0.4
352.17712	0.4
368.41095	0.4
372.16867	0.3
376.16925	0.5
377.17688	1.1
378.18793	0.9
389.18143	0.5
390.18323	1.0
391.19144	2.4
392.19839	2.1
393.20779	0.7
399.13623	0.3
402.21982	0.5
403.19519	0.9
404.20123	1.2
405.20789	5.1
406.21478	3.1
407.22302	11.8
408.22778	0.5
417.21109	0.4
418.21457	0.8
419.22433	2.4
420.23151	4.5
421.23849	18.7
422.18506	0.5
422.24631	4.3
424.22678	0.5
429.21295	0.4
431.22919	0.4
433.24225	3.6
434.24686	1.5
435.18524	0.6
435.25400	1.3
436.18988	1.1
437.19653	0.7
445.19876	0.5
447.21277	1.0
447.25827	1.1
448.26428	1.2
449.19009	0.5
449.27087	1.0
450.20749	0.9
450.27322	0.4
451.21268	15.6
452.21936	5.8
459.21820	0.6
460.22470	0.6
461.23602	2.6
463.21603	1.6
464.21906	0.9
465.22830	22.7
466.23495	2.9
472.19257	0.7
473.19800	0.9
474.24460	0.4
475.20938	1.5
475.25238	1.7
476.21243	0.6
476.26544	0.6
477.22589	0.6
477.27335	0.5
478.23666	1.8
479.24716	1.7
486.20547	0.5
487.21265	2.6
488.22104	2.6
489.22803	1.2
491.19781	2.2
492.21405	1.3
492.25424	1.2
493.26025	2.5
501.22943	2.7
502.23682	1.3
503.24384	18.5
504.24969	2.0
505.21420	1.6
506.26614	0.5
507.27527	13.8
508.28235	4.6
519.23822	1.4
520.24670	0.4
523.23444	4.3
525.24908	0.5
533.25525	2.5
535.27045	21.8
536.27612	2.0
537.24957	13.4
537.33240	0.6
538.25275	0.6
549.21185	0.4
551.26544	7.8
552.27271	23.8
553.27832	1.0
561.24945	5.6
562.25702	0.8
565.25305	0.4
579.25909	11.5
580.26642	4.9
593.27472	1.8
595.29114	8.0
596.29028	0.4
607.25262	0.5
621.27039	21.6
622.27155	1.4
639.28064	100.0
640.28412	4.1
663.56458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01876	0.3
55.05501	0.8
59.58521	0.3
63.77532	0.3
67.05504	1.9
69.07085	0.6
70.01359	0.9
70.01766	0.7
79.05499	1.1
81.07043	1.4
81.07458	0.3
83.08700	0.3
91.05464	1.1
93.07042	1.2
95.04933	0.4
95.08614	0.9
97.06540	0.5
97.10174	0.3
98.20866	0.4
105.07024	0.8
107.08581	0.7
109.10139	0.6
114.73592	0.4
115.23083	0.3
117.07000	0.6
119.08587	1.0
121.10127	0.5
131.08574	0.6
133.10147	0.6
135.08067	0.4
145.10120	0.8
163.11102	0.3
190.58365	0.3
197.10892	0.3
204.06546	0.5
225.10172	0.3
236.02551	0.4
237.10204	0.6
239.11778	0.4
241.13144	0.3
249.10497	0.4
251.11964	0.4
253.96521	0.4
275.20139	0.6
291.19492	0.6
300.14731	0.4
314.13065	0.5
316.14551	0.3
326.12708	0.3
342.15918	0.4
363.16177	0.4
378.15082	0.3
391.15482	0.6
392.16333	0.9
393.17065	1.0
393.21332	0.7
402.18423	0.3
405.17172	1.1
406.17880	0.7
407.18640	2.1
408.19077	0.4
409.20529	0.4
414.17804	0.4
417.16977	0.8
418.18033	0.6
419.19254	1.4
420.15631	1.1
420.19736	0.9
421.20514	6.1
422.20987	1.3
423.21890	1.4
429.16522	0.3
431.19308	0.5
432.19498	0.7
433.16129	0.9
433.20712	1.1
434.16449	1.9
434.22333	0.5
435.17435	3.6
435.22983	0.7
436.22858	2.4
437.23538	0.5
445.16357	0.6
447.16974	0.5
447.21851	1.2
448.18427	2.4
449.19684	11.0
450.20541	3.0
451.21262	0.7
459.18268	1.3
460.18878	1.0
461.19971	1.9
463.21609	5.8
464.22183	5.1
465.23505	0.7
473.19632	0.4
474.20474	0.8
475.21564	2.4
476.22528	0.3
477.18710	5.3
478.19846	2.5
479.20789	0.6
489.19272	0.4
491.20782	1.1
492.21564	0.8
493.22263	1.1
495.23837	1.0
505.22406	1.3
507.23605	1.1
508.23639	0.4
509.21393	0.5
519.20508	0.4
521.21875	0.8
523.22998	2.4
533.22394	1.2
535.23553	4.1
536.24060	1.4
537.20483	1.4
547.23511	1.1
549.21375	0.4
550.25812	1.0
551.26599	2.6
561.24994	4.0
562.25012	0.4
563.23053	0.7
564.23761	4.1
565.24323	3.0
567.26520	0.7
579.26001	7.9
580.26141	0.5
581.23810	0.9
592.23547	0.5
595.25555	2.9
596.26221	1.3
597.27179	0.4
607.25800	0.9
610.28119	1.0
611.28497	0.7
621.26984	4.9
621.41229	0.3
624.25763	5.3
639.28088	100.0
640.28534	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	638.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73258	0.7
55.01866	1.6
55.05499	2.7
55.46202	0.7
56.05017	0.9
58.06590	0.9
59.26139	0.7
67.05515	4.5
69.03438	1.8
69.07059	1.2
70.06590	2.0
71.05003	1.4
71.62551	0.8
77.80048	0.7
79.05486	5.8
80.05025	5.9
81.05784	1.2
81.07056	21.4
82.06580	29.4
83.08601	1.1
85.02898	2.2
86.09676	0.8
91.05492	4.7
93.07047	4.8
94.06566	34.1
94.62341	0.8
95.04973	5.5
95.07355	1.2
95.08612	4.3
96.04416	0.8
96.08134	1.4
97.06501	1.9
101.02396	1.5
105.07060	1.1
106.06570	1.2
107.04959	4.6
107.08551	1.1
108.08111	19.4
109.06530	2.3
109.10162	3.9
117.07638	0.8
119.04935	1.4
119.08545	0.9
121.10117	1.8
123.11703	2.2
124.07595	16.4
126.09164	2.5
127.04002	0.9
132.96889	0.8
133.10147	1.2
135.11676	2.5
136.07581	14.4
137.05992	3.5
138.09113	1.2
142.08632	49.0
149.13222	1.1
154.08624	100.0
156.10213	2.1
163.24104	0.8
172.09686	10.2
176.22292	0.7
205.19489	0.9
209.87292	0.8
235.07288	0.9
250.09868	2.0
250.21677	0.9
265.12207	6.2
268.22766	2.0
282.11700	0.8
282.14923	2.7
286.23889	0.9
374.26987	1.6
392.27982	5.6
404.27942	9.7
410.28961	5.3
422.29007	65.8
440.30078	46.5
440.35403	1.1
458.31375	6.6
534.58374	0.8
602.84357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
55.01863	1.0
55.05498	2.0
56.49284	0.7
58.06590	0.9
65.03936	0.7
67.05502	5.7
68.04994	0.9
69.03415	1.2
69.07039	1.5
70.06593	1.2
70.93839	2.0
71.04983	2.3
76.77864	0.6
79.05500	5.9
80.05013	6.0
81.07058	18.9
82.06579	25.6
85.02904	2.3
91.05473	5.4
93.07050	4.6
94.06567	32.1
95.04978	4.3
95.07338	0.9
95.08603	4.9
96.08118	1.6
97.02882	1.0
97.06509	1.1
99.04426	1.1
101.02390	1.1
105.07010	4.0
107.04957	3.4
107.08558	1.0
108.08113	17.6
109.06506	2.2
109.10140	4.1
119.04936	2.2
121.06503	0.7
121.10148	1.9
123.11685	1.3
124.07589	13.6
126.09142	2.6
127.03949	0.9
131.08537	1.2
133.04980	1.4
133.10141	3.5
135.11731	1.9
136.07568	13.2
137.05965	4.5
138.09155	0.8
142.08635	41.8
144.10191	0.8
144.70151	0.9
149.57146	0.6
154.08626	100.0
155.07085	0.8
156.10228	1.3
159.11722	0.8
161.09596	2.1
167.07051	0.9
172.09673	9.9
172.11043	1.0
175.14838	1.2
189.09120	1.3
223.20613	0.9
250.21681	0.9
265.12302	1.7
268.22714	2.7
286.23798	0.7
293.13870	1.0
321.13449	1.0
339.14182	0.7
340.02502	0.7
347.99771	0.8
356.25604	0.9
374.26859	1.9
392.27887	6.0
404.27982	8.1
410.29099	3.4
422.29010	61.6
423.29642	1.0
440.30093	52.5
441.30200	1.4
453.17133	1.1
458.30936	6.5
476.32410	0.9
621.41394	0.8
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
67.05493	1.2
69.32520	10.6
90.05423	1.0
102.26160	1.1
188.81975	0.9
192.45120	1.0
377.17557	1.1
391.19238	4.3
392.19876	1.1
405.20660	10.8
406.21552	3.7
419.22586	2.3
420.22992	4.5
421.23999	5.8
433.20346	3.8
434.24838	1.2
436.19019	1.7
445.20459	1.4
447.21783	2.2
448.22302	1.7
449.19901	2.6
450.20569	2.8
451.21130	1.8
452.22089	4.3
460.22748	1.6
463.21799	1.2
464.22397	1.7
465.22836	37.7
466.23029	2.1
473.19919	2.6
475.25012	2.9
477.26703	2.1
478.24100	1.2
479.24326	7.4
480.25113	3.8
487.21423	2.0
488.21921	2.6
491.20758	2.6
492.21509	4.1
493.25952	3.8
501.22708	2.3
503.24423	30.3
505.21912	1.8
519.24237	1.6
521.25494	16.6
522.25616	1.3
537.24963	6.8
547.23511	2.6
565.24451	54.2
566.25250	2.7
580.26746	19.9
581.26636	1.2
607.25372	21.0
621.27045	1.1
639.28052	100.0
640.28375	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48776	3.9
54.54251	4.1
70.32467	4.3
71.90370	3.7
88.78780	3.9
96.46237	4.1
98.20787	9.4
120.08099	4.2
132.66266	4.1
132.68327	4.6
211.12343	9.3
222.13058	5.1
223.08618	5.2
223.12259	12.3
224.13065	9.5
225.13861	9.8
226.82275	4.9
231.11374	5.0
235.08562	4.9
237.13698	5.9
239.11833	4.8
239.15416	8.0
245.07481	4.6
249.13991	5.0
251.08069	5.5
253.13307	11.7
265.13266	6.8
266.14038	5.0
267.14590	10.0
332.86844	4.1
341.11710	4.9
396.55588	4.6
416.20291	7.2
416.31827	5.1
429.17038	11.9
430.17078	5.1
431.18094	8.5
433.23926	13.2
444.19492	14.5
445.20084	16.2
448.19064	6.3
459.21893	100.0
460.22809	28.8
461.23438	12.6
473.23413	6.7
475.21518	7.5
477.19336	13.6
492.21045	8.1
509.21582	6.9
519.23645	20.7
531.23785	5.8
533.75555	5.5
547.27094	69.8
551.26593	5.5
565.24249	7.0
579.25769	13.7
591.25409	10.3
596.25635	11.8
606.28204	70.5
607.25604	19.2
611.28546	17.8
621.27368	7.0
624.25623	7.2
639.28009	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01870	11.4
55.05256	1.3
55.05511	24.0
57.03433	9.8
59.05000	3.0
65.03934	1.7
67.05160	1.5
67.05504	26.7
69.03429	19.0
69.07063	7.8
70.61839	0.8
70.94685	1.7
70.95020	1.2
71.01352	1.2
71.04989	8.3
73.02916	1.1
79.05045	1.9
79.05492	34.6
81.03416	100.0
81.07056	31.2
81.07433	0.6
83.01331	4.8
83.04979	26.9
83.08620	22.1
85.02901	17.4
85.06538	2.7
87.04469	1.1
90.20919	0.9
91.05478	30.0
93.07040	27.8
95.04967	22.3
95.05540	1.5
95.08610	13.4
97.02888	16.4
97.06522	8.8
97.10141	7.6
99.04448	7.7
99.08081	1.2
101.02350	0.9
103.05483	2.2
105.07020	21.5
107.04958	14.3
107.08595	17.2
109.02881	20.4
109.03588	0.7
109.06525	6.6
109.10144	5.1
110.37075	0.9
111.04446	18.8
111.08093	9.1
113.06009	2.3
115.05441	1.7
117.07018	8.8
119.04964	1.7
119.08583	19.0
121.06518	6.5
121.10136	12.7
123.04439	3.8
123.08072	6.4
123.11710	2.1
125.05997	1.6
125.09593	5.2
127.03926	12.4
128.06224	2.4
129.05493	2.2
129.07011	9.3
130.07773	1.4
131.04976	1.6
131.08580	9.6
133.06511	3.1
133.10129	7.7
135.04434	2.6
135.08060	3.7
135.11697	10.1
137.05981	1.5
137.09631	1.4
142.07785	2.3
143.08554	2.9
145.06522	3.2
145.10127	14.0
147.04448	3.3
147.08058	5.1
147.11694	9.9
149.05899	1.0
149.09634	4.9
149.13110	1.1
153.12744	9.5
155.08615	2.3
157.06386	1.1
157.10144	9.2
159.08057	1.2
159.11876	1.0
161.06024	1.7
161.09595	0.9
163.03920	3.2
163.11177	22.1
165.05479	1.3
165.12793	2.8
167.08629	1.1
169.10097	1.8
171.11694	1.1
173.04520	3.1
173.09650	4.2
175.11168	9.2
181.12201	9.3
183.06578	1.1
183.13782	1.0
189.09140	1.2
189.11194	3.8
189.12714	1.0
191.10674	7.0
193.12241	28.8
209.11734	8.9
211.13280	44.7
212.13646	1.0
223.13350	1.4
227.12761	19.4
229.14368	1.3
231.13950	1.4
243.13618	1.1
249.14919	2.4
265.14456	1.6
267.15912	8.2
271.13431	1.0
273.14847	2.1
277.14566	1.2
283.15375	10.7
285.17053	2.8
289.14520	2.1
301.14365	2.7
303.15942	1.1
337.16650	2.2
353.15924	5.3
355.17630	4.2
383.22278	4.1
385.18649	1.1
391.17590	1.6
393.19281	1.2
401.23413	2.1
409.18893	2.1
411.20026	4.7
440.27374	2.4
457.25909	3.7
475.26944	10.3
493.27930	10.9
523.48108	1.0
559.29352	1.7
583.29230	1.8
601.30188	2.1
619.31091	6.6
637.32184	52.6
638.10663	1.1
638.32446	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80425	0.8
55.03464	0.5
63.51341	0.5
69.44501	4.6
91.96420	0.5
98.20600	0.5
118.82520	0.6
119.53362	0.5
376.17673	0.6
377.17715	0.8
388.17654	1.0
389.18436	1.3
390.18652	0.7
391.19174	2.3
392.19971	1.4
399.16077	0.6
400.16876	1.9
401.17548	2.8
402.19644	1.2
403.19366	1.9
404.20786	1.9
405.20645	6.4
406.21481	7.2
413.17615	2.2
414.18445	3.6
415.19214	6.2
416.19983	1.0
417.20886	2.2
419.22278	1.9
420.23117	5.6
421.23807	11.4
427.19196	2.4
428.20068	3.9
429.20786	14.8
430.21844	3.6
431.18338	2.1
431.22906	1.4
433.20135	3.0
433.24323	2.0
434.24634	1.7
441.20486	1.2
442.21545	2.0
443.17416	0.7
443.22440	8.4
444.23572	5.0
445.19824	4.8
446.20993	1.7
447.18073	1.9
447.26523	1.0
448.22119	0.9
455.18567	1.4
456.19431	2.0
457.23755	4.3
457.80231	0.7
458.25037	7.8
459.21756	10.5
460.22604	6.6
461.19299	8.5
462.20151	1.0
470.20935	2.5
471.21783	2.4
472.22598	8.6
473.19589	3.1
473.24774	1.3
474.24408	0.7
475.21185	3.9
476.21906	6.9
477.27078	1.2
485.23444	17.5
486.25143	5.2
487.21353	2.4
488.22058	5.8
489.22949	2.1
490.23932	0.8
491.24561	1.0
492.25461	1.1
493.22565	0.9
499.21265	1.8
500.22037	1.9
502.23657	1.2
503.24384	22.0
504.23145	0.9
505.22461	1.2
513.22760	4.6
514.23517	2.5
517.26129	10.7
519.24127	0.9
529.25867	1.9
530.22919	0.8
535.27057	30.5
536.27075	1.5
545.25464	91.6
546.25812	3.8
549.25055	1.1
563.26636	6.5
573.24927	20.4
574.25128	0.8
578.28467	1.6
605.27570	80.5
606.27563	3.2
637.30164	100.0
638.30701	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09789	1.4
94.56087	0.3
96.97076	0.3
110.18597	0.3
170.09648	0.3
223.12267	0.4
312.14459	0.3
389.17584	0.6
391.19244	0.5
400.17352	0.3
401.17612	0.9
402.18427	0.9
403.19360	1.9
404.20163	0.6
405.20782	0.9
407.22360	0.4
414.18420	0.5
415.14539	0.4
415.19550	2.0
416.20255	0.9
417.16336	0.8
417.21555	2.2
418.21680	0.5
419.22458	2.1
420.23203	0.5
428.16104	0.4
429.16415	0.7
429.20963	1.2
430.17236	2.6
431.17932	4.0
432.18527	0.7
432.23990	1.7
433.19870	0.6
433.24799	0.5
435.21814	0.6
443.18045	2.0
444.19058	3.5
445.20099	10.8
446.21259	2.8
447.22147	1.6
457.20316	1.1
458.20978	11.1
459.21716	7.8
460.22763	9.3
461.19321	4.7
462.20731	0.9
471.22247	0.7
472.22879	0.5
473.23267	1.4
475.21198	3.2
476.21948	1.9
477.22784	3.0
485.23569	0.4
486.24353	0.7
487.25388	0.5
489.19061	0.5
489.23032	0.5
490.23584	0.9
491.24713	2.4
503.20636	0.7
504.25076	1.2
505.21552	1.7
513.23334	0.7
517.21777	2.0
518.22992	7.4
519.24231	0.8
530.23053	0.8
531.23749	1.1
532.24683	1.0
533.25635	4.3
535.23297	2.8
545.25684	3.3
546.26117	2.5
547.26392	0.5
549.25183	1.3
560.23773	0.6
562.25732	0.6
563.26617	0.8
573.24799	1.7
577.28424	4.0
590.25311	0.7
592.26715	0.9
605.27576	18.4
605.64862	0.4
606.27881	1.1
637.30176	100.0
638.30676	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	637.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00185	0.5
55.05503	0.8
57.07056	0.5
62.27156	0.5
66.84043	0.5
67.05505	0.5
71.08630	0.6
78.18273	0.4
93.07050	0.7
95.08621	0.9
105.07054	0.5
109.07652	0.5
109.10175	0.8
137.09625	0.6
194.22063	0.5
197.10808	1.0
209.10800	1.4
210.11629	0.9
211.12331	0.6
221.10831	0.6
222.11565	0.6
223.12398	1.7
224.09329	0.6
224.13136	1.7
225.10294	1.0
225.13814	1.1
236.13278	0.6
237.10321	1.1
237.13812	2.4
238.14691	0.7
239.15442	1.0
249.10432	0.6
250.11110	0.9
251.08160	0.8
253.13792	0.5
261.14072	0.5
265.13446	1.5
266.14044	0.6
311.14191	0.5
313.27499	0.8
342.15958	0.6
389.17795	0.9
390.18570	0.6
391.19376	1.3
405.20874	1.6
406.22147	0.8
417.17096	1.5
418.17902	1.5
419.18823	1.8
431.18787	1.8
432.19507	0.9
433.20099	2.8
445.16052	0.7
447.17075	0.7
447.22070	2.1
448.22809	1.1
457.20016	0.5
459.22464	2.4
460.18756	1.0
461.19070	3.2
462.19958	0.6
467.37164	0.7
473.19858	1.1
474.20447	0.7
475.21173	4.9
476.22104	12.3
477.22745	1.8
487.21600	0.8
489.22955	1.2
491.24548	0.8
493.22366	1.2
502.23187	0.6
503.24966	1.3
505.22659	0.7
507.23837	0.8
519.23932	1.5
521.21832	0.8
533.22058	1.0
534.26276	0.8
535.26196	1.6
545.25354	1.8
547.23120	2.9
549.25085	1.2
562.25885	9.1
563.26495	5.3
577.28186	3.6
579.26495	1.6
590.25299	0.7
593.24359	1.1
605.27118	1.3
606.28363	0.7
622.27338	2.7
637.30225	100.0
638.30646	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.2
55.01871	2.2
67.05499	0.3
69.07063	1.3
69.46558	1.3
70.06583	0.4
73.02899	0.2
90.06863	0.1
91.05474	0.1
94.06557	0.5
95.04944	0.3
96.04470	0.3
97.06549	0.3
106.06850	0.1
107.04885	0.2
108.04475	0.6
108.08115	0.2
112.07588	0.4
120.08063	0.4
122.06046	0.4
123.04468	0.3
124.07590	0.1
132.08066	0.2
136.07591	0.7
137.06081	0.1
140.07059	2.5
146.05980	0.4
147.06766	0.3
148.07571	3.1
160.07578	0.5
164.07007	0.2
168.06560	2.6
168.07973	0.2
170.09665	0.3
172.07619	0.2
172.11110	0.1
173.07152	0.2
174.05557	0.8
174.09192	0.3
175.08530	0.2
183.10385	0.3
184.11293	0.2
186.09172	0.2
188.07066	0.2
196.11311	0.2
197.10606	0.1
198.09174	0.8
199.08662	3.3
199.10492	0.2
199.12364	0.4
200.10849	0.2
201.10144	0.1
203.09480	0.3
210.09129	0.4
211.10185	0.2
211.12277	0.3
212.09215	0.7
213.10226	1.4
214.09004	0.2
214.10918	0.7
215.11769	1.2
223.12306	0.2
224.10664	0.5
225.10188	3.5
226.08856	1.1
226.10941	0.5
227.08220	1.8
227.11781	2.9
229.09775	0.2
237.10117	0.3
238.08620	0.3
238.10811	0.1
239.11571	0.2
240.08908	0.2
241.09688	1.0
241.13345	1.1
242.10394	0.9
243.11276	1.3
251.11774	0.3
252.10069	0.8
253.09810	0.2
254.11320	0.2
255.11284	14.4
256.11691	0.4
259.14621	0.2
269.12863	4.0
270.11179	0.2
271.14423	0.2
273.12369	0.2
279.11383	0.1
280.09760	0.2
281.12808	0.2
287.13901	1.1
297.12326	5.6
299.13867	0.7
303.13501	0.2
305.14905	1.4
315.13370	100.0
316.13797	3.8
317.14902	0.5
446.16037	0.2
601.26044	0.3
619.27478	0.4
638.22986	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01822	0.3
51.88852	0.3
67.05479	0.4
69.61186	0.3
70.00900	1.7
83.78643	0.3
85.93523	0.2
191.41223	0.3
199.72070	0.3
221.10812	0.5
233.10719	0.3
249.10234	0.4
265.35712	0.3
273.40192	0.3
314.12567	0.3
334.50494	0.4
361.15146	0.3
362.16025	0.6
363.16336	0.4
374.16553	0.5
375.16742	0.6
377.17487	1.1
378.18472	0.6
384.14700	0.4
385.14453	0.6
386.15579	1.0
387.16208	0.9
388.17471	0.4
389.18222	0.7
390.18994	0.9
391.19302	1.9
392.20087	1.0
393.20557	2.3
397.14709	0.4
398.15964	0.5
399.15936	2.0
400.16913	2.9
401.17593	3.9
402.18768	0.9
403.19501	0.5
404.20062	0.4
405.16351	0.4
405.21002	0.6
406.21579	0.6
407.22324	2.9
410.16150	0.4
412.17352	0.4
413.17664	2.9
414.18723	4.4
415.19360	7.6
416.19736	1.3
417.20721	1.3
419.18253	0.4
419.22833	0.4
421.20178	2.6
425.17642	0.9
427.20044	1.9
428.14951	0.6
428.20465	3.4
429.16553	1.2
429.21411	7.1
430.21976	3.1
431.18796	1.0
432.19687	0.4
434.21118	0.4
435.21802	1.8
436.22543	0.5
439.19388	0.5
441.16595	1.5
442.17221	1.6
443.18387	4.1
443.22748	3.0
444.18774	6.0
445.20438	2.8
447.18140	1.1
448.18652	0.5
453.20618	0.4
455.18774	1.1
456.19745	1.4
457.20413	5.5
458.21228	4.4
459.22186	0.6
461.19846	0.9
462.20386	0.5
463.21210	0.4
468.19565	0.3
469.16245	0.6
470.21573	0.4
471.22229	8.1
472.23355	5.3
473.19537	5.1
474.20441	1.2
475.21152	0.9
483.18362	0.4
484.19037	0.9
485.19830	3.4
486.20480	7.4
486.27008	0.6
487.21152	2.9
488.21985	1.3
489.22549	1.4
490.19772	3.2
491.20255	0.5
498.20581	0.8
499.21371	10.2
500.22659	3.4
501.23154	0.9
502.20206	0.9
503.24841	4.2
504.21658	0.5
513.19293	1.4
514.20032	0.9
516.21442	1.8
517.22241	3.9
521.25458	0.8
527.20764	2.7
528.21497	1.4
529.22766	0.5
530.23309	0.4
531.23907	12.6
539.39948	0.4
541.22595	0.7
543.23663	1.2
544.21094	0.8
545.21820	0.9
549.24640	0.8
559.23383	100.0
560.23737	2.7
587.22888	16.9
605.23920	1.0
619.25470	94.0
620.25555	2.9
637.26453	9.9
638.26227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.5
57.03378	0.5
60.23069	0.5
67.05420	2.6
69.03363	0.7
69.89073	3.4
73.63227	0.5
79.05444	1.3
81.07047	3.0
83.04913	0.7
83.08560	0.7
90.31771	0.6
91.05404	2.5
93.06937	1.8
95.04897	0.7
95.08518	1.3
97.06460	1.1
98.21535	0.6
105.06937	1.9
107.04838	0.8
107.08518	1.2
109.10109	0.7
117.06954	0.8
119.08515	1.3
121.10052	0.7
123.11580	1.0
129.06926	0.9
131.08479	1.0
133.10078	1.2
135.07915	0.7
143.08476	0.8
145.10007	0.9
159.11737	0.6
230.76329	0.5
275.20148	0.7
307.68411	0.6
373.14792	0.7
377.17334	1.0
378.18536	0.7
386.15244	1.1
387.16162	1.2
388.17532	0.7
391.19153	0.9
392.19562	0.8
393.20566	2.3
399.16058	2.2
400.16776	2.3
401.17960	2.5
402.18552	1.2
407.22284	2.6
408.23734	0.6
412.17188	0.8
413.17737	1.7
414.18539	3.5
415.19415	6.7
416.20526	0.7
419.18451	1.1
421.20041	1.9
425.17703	0.7
427.19467	1.1
428.20187	2.9
429.21143	6.7
430.21613	2.0
431.18372	0.9
433.16443	0.7
435.21429	1.1
439.18884	0.8
440.18472	0.6
441.16730	1.0
442.17731	0.9
443.18054	2.8
443.22409	4.2
444.18344	4.1
445.20193	1.6
447.17801	0.8
456.19571	1.8
457.20255	4.5
458.21225	3.0
463.21527	0.9
469.16461	0.7
471.22232	6.1
472.23047	4.5
473.19318	4.8
484.18793	0.7
485.19891	3.3
486.20428	5.2
487.21332	2.8
488.22116	1.0
489.22943	1.1
490.19351	2.5
499.21393	10.0
500.22751	3.2
501.20377	0.7
503.25217	2.8
504.21686	1.1
513.18823	1.3
516.21558	1.1
517.22125	3.4
521.25293	0.9
527.20844	2.3
528.21954	0.7
529.22260	0.6
530.22833	0.7
531.23944	12.1
539.36938	0.9
543.23761	0.8
547.36072	1.4
549.24738	1.3
559.23364	100.0
560.23633	4.2
577.23981	0.6
587.22833	19.0
591.25891	0.9
605.23810	1.3
619.25470	99.5
620.25513	3.1
637.26508	14.1
637.40662	1.7
638.27808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	0.7
57.18558	0.5
58.15823	0.5
67.05474	1.0
69.03371	0.6
69.07019	0.6
70.45708	2.3
77.36838	0.5
79.05472	0.8
81.07015	0.9
85.10162	0.5
91.05452	1.1
93.06991	0.8
95.04913	0.9
95.08567	1.1
97.75142	0.5
107.08537	0.5
119.08510	0.8
120.09960	0.5
156.31870	0.5
184.07397	0.5
197.10623	0.6
203.26671	0.5
209.10603	0.5
221.10838	0.5
235.12166	0.8
237.13889	0.5
268.67639	0.6
310.13397	0.6
342.12027	0.6
361.15118	0.5
362.15717	0.7
363.16006	1.1
374.16776	0.9
376.16949	1.7
377.17529	3.2
378.18460	2.5
379.19443	0.8
385.14590	1.0
386.15665	1.2
387.16046	1.3
388.17288	0.6
389.17978	0.6
390.18692	1.1
391.19321	4.0
392.20099	2.5
393.20685	5.5
399.16415	2.4
400.16888	2.1
401.17719	4.4
402.18414	0.8
403.19275	1.8
405.16299	0.9
405.20816	2.1
406.21896	0.9
407.22372	7.7
408.23154	0.9
411.16476	0.7
412.17111	0.8
413.17575	3.4
414.14233	0.5
414.18610	4.2
415.19443	7.7
416.20059	1.8
417.21225	1.1
418.18118	1.0
419.18042	2.6
419.23041	1.2
420.19138	0.7
421.20251	5.5
425.17538	1.6
427.19464	1.1
428.20609	3.3
429.21271	7.0
430.21881	3.0
431.18262	2.6
432.19492	0.8
433.15610	0.8
433.20502	1.1
434.21127	1.1
435.21582	4.9
436.22519	2.2
439.18997	0.7
441.17053	1.4
442.17834	1.9
443.18207	2.8
443.22495	3.9
444.18680	3.5
445.20761	4.8
446.21317	1.2
447.18246	2.6
456.19656	1.2
457.20969	4.2
458.21689	3.7
459.18329	2.2
461.19949	2.8
462.20200	1.2
463.20953	1.6
469.16278	0.7
471.22574	5.8
472.23312	4.2
473.19766	5.5
474.20602	2.2
475.16922	1.4
475.22327	1.0
476.18414	0.9
484.18893	1.0
485.20026	4.6
486.20523	6.2
487.21851	3.2
488.22818	1.1
489.19101	3.0
489.23264	2.4
490.19592	5.3
491.20959	2.0
499.21494	9.0
500.21829	2.9
501.18201	1.0
501.23654	0.9
502.19922	1.3
503.24069	3.9
507.23270	0.6
513.19354	6.0
514.19971	1.0
516.21686	3.0
517.22479	14.6
518.19434	1.1
519.20215	1.7
521.25470	2.0
522.26245	0.8
527.20728	3.8
528.21399	1.5
529.22308	2.4
531.24377	12.2
539.39374	0.8
541.21881	0.6
543.24036	1.0
544.21356	1.1
545.22101	1.5
549.24872	7.5
559.23419	81.1
560.23981	3.1
561.24518	0.6
573.21680	0.9
577.24329	3.1
578.25226	0.9
587.22998	13.4
591.26300	6.3
605.23865	9.6
609.27344	0.7
619.25519	73.6
620.25885	1.8
637.26556	100.0
638.27264	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2654
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05499	0.4
57.39614	0.2
67.05504	0.5
71.19263	0.6
79.05505	0.3
81.07063	0.4
91.05479	0.3
92.76058	0.3
93.07056	0.3
105.07030	0.4
117.55249	0.3
129.23116	0.3
131.08516	0.4
209.10904	0.4
221.46695	0.3
222.11554	0.3
223.12216	0.4
233.10941	0.3
285.35281	0.3
300.15335	0.4
344.37741	0.3
352.60513	0.3
373.14539	0.3
374.15616	0.4
375.15909	0.6
386.15625	0.4
387.16251	1.1
388.16971	1.1
389.17505	2.5
390.18625	0.5
391.19324	0.5
401.17676	1.6
402.18771	1.8
403.19571	2.1
404.20187	0.8
405.20856	1.1
415.14743	0.6
415.19290	1.2
416.15775	0.6
416.20422	0.9
417.16141	2.3
417.21082	1.6
418.21710	0.7
419.22565	2.9
429.16745	1.6
430.17929	1.4
431.17905	3.1
432.19598	1.2
433.15918	0.7
435.18063	0.6
443.18887	0.6
444.19415	0.6
445.20221	4.8
446.21176	2.8
447.22314	3.0
448.18494	0.4
449.19717	0.6
457.16315	0.8
459.22147	1.7
461.14984	1.5
461.21274	0.5
462.16498	0.5
463.21405	4.0
464.22635	0.5
471.17789	0.4
473.19574	0.6
474.20416	0.4
475.17798	1.9
476.17947	1.4
477.18933	2.0
489.18909	2.6
490.19858	7.6
491.20682	12.5
503.20779	4.3
504.21802	1.6
505.26328	0.7
515.18256	0.3
517.22833	2.0
518.23108	0.5
522.22424	0.7
533.25543	6.2
535.18866	1.5
536.24152	0.3
545.21741	1.1
549.24335	2.5
559.23480	0.5
562.21960	0.4
577.24432	25.4
578.25006	0.8
593.27496	1.5
605.23914	1.4
609.26849	0.5
619.25732	0.6
636.41412	0.7
637.26520	100.0
638.26794	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89991	0.5
67.05502	2.2
69.07040	0.6
71.56069	0.5
71.56409	1.1
78.58780	0.5
79.05496	0.7
81.07074	1.3
84.49744	0.6
91.05444	0.5
93.07063	1.2
95.08614	0.9
105.07021	0.7
107.05009	0.6
109.10194	0.8
121.10107	0.7
125.00001	0.9
131.08548	0.9
139.08658	1.3
143.08444	0.6
144.08105	1.3
176.14296	0.9
184.07379	0.9
202.15942	7.9
203.16286	3.1
209.10779	0.6
272.37088	0.5
300.13562	8.3
301.13879	2.8
355.02240	0.6
375.16107	0.6
377.17767	1.7
387.16354	1.0
388.16864	0.7
389.17581	1.9
391.19473	1.5
401.17615	1.9
402.18573	1.1
403.15015	1.2
403.19424	1.6
405.21121	3.4
411.20871	0.6
415.14764	0.8
415.19760	1.3
416.20465	1.1
417.16418	1.3
417.20914	2.1
418.18008	0.8
419.18738	3.3
421.20248	0.7
428.16306	0.6
429.17093	2.0
430.18036	1.7
431.18457	3.3
432.19394	1.8
433.20563	3.2
434.20892	1.2
443.18747	2.4
444.19489	3.4
445.20441	3.9
446.21167	1.7
447.18073	4.8
449.19751	1.2
459.17615	1.0
460.19333	1.3
461.19809	2.5
462.20587	1.5
463.21262	1.9
472.18774	3.8
473.19400	2.9
474.20401	4.0
487.21603	0.9
489.18875	0.9
490.19940	1.1
491.20767	1.5
499.21332	1.5
503.20828	1.6
504.21341	2.0
517.22443	1.2
519.24109	3.4
521.25616	1.7
531.23364	1.8
532.20752	2.6
545.21948	0.8
547.23480	2.1
549.24951	2.3
559.23578	2.2
560.24304	2.3
577.24274	4.4
587.22986	1.1
591.25854	3.1
593.44586	0.6
609.26837	1.9
619.25421	13.2
637.26544	100.0
638.26947	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90813	0.6
54.22336	0.6
56.64198	0.6
57.07059	1.2
67.05494	1.2
75.52286	0.8
79.05508	0.8
81.07031	1.0
91.05491	1.2
93.07026	0.7
94.06570	1.3
106.06535	1.0
107.07365	1.1
108.08121	1.0
109.10164	0.7
117.06992	0.8
118.06553	1.2
127.87677	0.7
130.06557	1.2
134.05963	0.8
144.08095	1.0
154.06499	1.2
162.05498	2.8
167.07259	1.6
168.06850	0.8
168.08130	2.1
169.07602	0.8
170.08356	0.8
173.11824	0.9
178.06573	0.9
180.08083	1.2
181.07637	2.9
182.08353	2.0
183.09108	1.6
184.07515	1.0
193.07477	4.4
194.05882	0.8
194.08424	2.5
195.09148	9.1
196.08258	0.8
196.09834	3.9
197.10707	6.0
199.08536	1.0
207.09117	5.9
208.07739	1.9
208.09825	8.0
209.07147	2.7
209.10689	11.1
209.12617	0.5
210.07896	1.4
210.11476	9.7
211.08670	1.4
211.12212	4.0
212.09535	1.1
212.13132	1.8
219.06862	0.8
219.08971	0.8
220.10095	1.0
221.07115	4.0
221.10857	1.4
222.07909	3.0
222.11423	1.6
223.04134	0.7
223.08665	13.7
223.12222	8.4
224.09396	24.8
224.13091	3.7
225.10229	11.1
225.13802	12.0
226.14632	2.5
227.15399	1.6
235.08632	10.7
236.05510	1.3
236.09395	5.9
237.06602	2.3
237.10251	7.8
238.07397	1.2
238.10963	5.1
239.08156	3.9
239.11742	1.9
241.09784	1.5
249.06660	1.9
249.10349	1.4
250.07407	2.3
251.08188	6.5
251.11780	8.1
252.08977	1.9
252.12613	0.8
253.13333	32.6
255.11226	4.9
256.12009	5.9
257.09311	1.1
263.08139	8.9
264.08862	6.1
265.07098	0.8
265.09772	5.0
265.12427	0.6
265.13419	0.7
266.06781	1.3
266.10510	3.3
267.07632	2.0
267.11087	0.7
269.09308	3.1
269.12860	1.6
270.13608	2.2
271.14374	4.0
272.08032	1.8
275.08154	1.0
277.06207	1.4
277.09637	0.8
278.06830	1.1
279.07706	2.4
279.11304	8.1
281.09256	6.6
281.12857	2.6
282.09863	1.3
283.07712	0.8
283.10858	2.3
291.07672	8.8
293.09177	2.1
295.07306	3.7
296.07745	0.8
297.08743	1.9
297.12393	7.8
300.11276	1.1
307.10822	1.0
308.07922	1.1
309.08621	4.1
310.09451	6.5
311.10211	1.9
311.13739	1.2
319.07147	2.7
323.10367	1.8
325.11792	7.0
327.09784	1.3
337.08148	1.6
343.12909	1.4
351.09720	30.6
353.11502	0.8
369.10779	46.1
397.10101	1.0
418.17264	0.8
438.14365	0.9
445.16739	0.8
459.18091	1.0
461.19565	0.9
470.17392	2.1
475.21744	1.2
489.22693	2.4
493.18738	0.8
503.20795	2.5
517.22308	7.7
531.19788	0.9
540.12238	0.7
545.21869	3.1
549.24860	1.5
573.21283	4.9
577.24402	44.1
578.25317	0.9
596.00470	0.7
605.23895	100.0
606.24115	1.9
619.25647	0.9
623.24799	1.4
637.26489	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	636.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01861	2.6
55.05508	10.9
57.03436	11.9
57.07063	1.3
58.06567	1.3
59.04992	4.4
61.02924	3.7
65.03945	1.7
65.31317	1.0
67.05502	60.0
68.05835	1.6
69.03423	4.7
69.07059	6.9
69.31168	1.0
70.06606	1.0
71.04977	5.2
71.65880	1.7
71.66239	1.1
73.02927	1.2
79.05484	12.8
81.03414	32.2
81.06570	1.4
81.07054	26.1
83.04988	9.6
83.08611	14.9
85.02903	17.5
85.06545	3.3
91.03959	1.9
91.05483	19.2
93.07035	12.3
95.04954	14.5
95.08604	8.7
97.02897	4.3
97.06532	5.2
97.10143	2.4
105.07020	14.3
107.04950	5.6
107.08597	7.9
109.02849	2.2
109.06483	3.3
109.10150	54.6
111.04407	2.4
111.08128	5.4
113.06010	2.1
115.05455	1.3
117.06976	1.6
119.08570	16.5
121.06451	1.4
121.10136	6.7
123.08071	2.9
123.11689	2.6
125.09615	1.9
127.03936	1.9
129.07004	6.2
131.08568	4.6
133.06560	1.2
133.10083	6.3
135.08130	1.5
135.11726	2.7
137.05962	1.5
137.09622	4.4
142.07780	1.2
145.10130	1.9
147.04451	2.1
147.08014	2.1
147.11700	9.5
149.09619	2.6
151.11185	1.7
155.10732	2.2
157.10101	7.1
161.13234	1.5
163.03932	5.6
163.11137	1.9
165.12747	3.5
171.08122	1.2
173.11725	13.7
175.11177	8.9
180.70044	1.1
193.12234	24.1
211.13275	39.8
211.15240	2.3
227.12839	1.8
229.14345	57.6
243.15901	2.7
267.15884	11.0
285.16940	30.0
317.24908	1.4
335.25888	5.3
353.26880	8.1
371.27853	1.2
412.35754	1.3
421.25772	14.5
439.26892	100.0
440.27142	2.3
583.30750	1.6
637.31708	2.6
638.06348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	3.3
55.05508	11.7
57.03435	12.8
57.07071	1.0
58.06584	0.8
59.05000	2.8
61.02916	3.5
65.03938	2.4
67.05504	66.9
69.03424	5.0
69.07069	7.3
70.06618	0.9
70.35400	2.9
71.04973	4.0
73.02915	2.4
79.05493	13.4
81.03419	36.1
81.07059	24.9
83.04986	11.4
83.08616	16.8
85.02904	17.6
85.06538	3.5
91.03950	1.8
91.05482	19.5
93.07037	11.6
95.04967	14.2
95.08607	10.1
97.02882	5.2
97.06533	5.4
97.10178	2.2
99.04477	1.9
99.08102	1.4
99.18439	0.9
105.07031	12.4
107.04977	5.0
107.08601	7.2
109.02898	1.5
109.06524	4.5
109.10154	60.7
111.04470	1.8
111.08088	8.9
113.06003	1.5
117.03387	1.1
117.07041	1.9
119.04950	1.0
119.08582	15.2
121.06493	2.0
121.10148	6.1
123.08064	1.8
123.11743	1.5
125.09676	1.4
127.03932	2.5
127.11143	1.1
128.06236	0.9
129.07018	5.5
131.08575	7.0
133.06485	1.1
133.10112	7.3
134.71567	0.8
135.04443	1.0
135.11696	2.0
137.05963	1.3
137.09599	3.2
142.07780	1.2
145.02831	3.9
145.10132	2.6
147.04439	1.2
147.08041	2.2
147.11697	9.3
149.09624	3.3
155.10677	3.6
157.10112	7.9
161.13342	0.8
163.03932	2.3
163.11198	2.8
164.04248	1.0
165.12735	2.8
173.11734	16.9
175.11209	8.6
177.05522	5.5
180.09023	0.8
193.12236	24.3
211.13293	37.8
229.14337	56.9
243.15999	1.6
267.15915	12.0
285.16959	27.8
335.25793	2.7
353.26819	3.0
368.90790	1.0
421.25885	13.9
439.26904	100.0
440.27203	2.2
474.19052	1.4
475.26953	1.3
637.32001	2.9
655.65381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48404	0.8
57.13626	0.8
60.95838	1.0
66.47385	0.7
70.67787	0.7
71.27023	1.9
83.59694	0.7
102.44299	0.7
119.25322	0.9
128.06200	1.3
131.08537	1.3
132.51010	0.8
143.08533	2.6
157.10208	1.0
168.09311	0.9
183.11633	1.7
184.86452	0.8
225.12523	5.9
251.10463	1.2
269.08582	1.9
269.11453	30.9
287.12726	1.2
329.13565	100.0
330.13776	1.7
345.27069	0.9
347.14594	9.1
370.16180	1.9
575.26190	1.9
576.64233	1.0
635.28180	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	635.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
56.96524	0.6
60.41793	0.4
60.95798	1.3
61.29847	0.4
64.14163	0.5
67.05473	1.0
68.19702	0.4
69.07035	0.5
79.05476	0.5
81.07020	0.7
83.04936	0.8
83.20535	0.4
91.05412	1.3
93.06982	0.6
97.06454	0.8
105.06956	1.2
109.10143	0.6
115.05344	0.4
117.06976	1.1
119.08552	0.6
120.38188	0.5
128.06177	1.7
129.06921	0.6
131.08498	1.2
135.04404	0.4
136.74586	0.4
143.08566	4.1
144.08994	0.7
145.10063	1.1
155.08568	0.6
157.10139	0.7
159.11681	0.9
163.03828	1.3
168.09241	0.6
171.07991	1.3
183.11647	1.9
189.09033	1.0
196.81065	0.4
201.12640	1.0
215.10667	0.7
225.12508	7.8
229.12253	1.0
229.14375	0.7
251.10457	0.7
259.77094	0.4
263.09290	0.4
269.11475	18.7
303.70975	0.4
305.12366	0.6
307.08255	0.6
311.12512	0.5
311.16382	0.5
329.13568	100.0
330.13910	1.3
347.14624	11.0
348.14978	0.5
370.16327	3.1
397.69751	0.4
438.25534	0.7
440.68817	0.4
457.18149	0.4
575.26373	1.4
635.28241	14.2
636.29083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85874	0.5
57.07069	0.5
60.84790	0.5
69.32890	5.5
70.55886	0.5
81.07069	0.5
93.07036	0.5
127.01697	0.5
209.65392	0.5
221.10757	0.7
224.13158	0.7
225.13857	0.7
233.10858	0.6
235.12343	0.6
237.13863	0.6
249.14085	0.6
273.30762	0.5
318.26263	0.6
389.17679	0.9
390.18619	0.5
393.50308	0.6
401.18051	1.0
402.18176	1.1
403.19308	3.5
404.20007	1.6
405.20700	0.8
410.79327	0.6
415.19604	0.7
416.15802	0.9
416.20587	1.1
417.16315	1.2
417.21536	4.5
418.21469	1.5
419.22525	1.9
429.16898	0.8
430.17935	2.3
431.18243	7.6
432.19376	1.8
433.24213	3.1
443.18103	0.6
444.19623	1.0
445.20111	7.9
446.21271	2.0
447.22067	1.2
457.19846	0.6
458.21048	0.8
459.17746	1.6
459.23026	2.5
460.22867	2.7
461.23465	4.0
471.21732	0.6
473.19174	1.3
475.21234	0.7
488.21848	3.4
489.22821	4.7
501.22766	1.6
515.24335	0.7
517.23022	0.9
519.23901	0.9
543.23779	0.9
547.27441	7.4
575.26538	19.9
603.26440	1.3
607.28925	1.4
635.28632	100.0
636.28967	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	635.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56574	0.5
52.71629	0.6
53.00001	0.6
53.03925	0.8
55.01866	1.2
55.26572	0.5
57.03437	7.0
58.06584	0.7
59.04993	1.5
60.70341	0.5
61.02926	0.7
65.03924	0.6
69.03426	21.7
70.06575	2.2
70.40669	0.6
70.73070	0.6
71.04975	0.7
71.65453	1.0
72.08147	0.9
73.02921	0.8
75.04496	1.3
79.05477	1.5
81.03400	1.1
81.07040	1.3
84.40405	0.6
84.88725	0.6
85.02412	1.2
85.02901	17.4
86.09675	1.2
87.04463	10.9
91.05465	3.1
94.04161	2.6
95.04992	1.0
97.02885	11.8
103.05481	4.8
104.06247	0.7
105.07024	4.4
107.04945	3.0
109.02897	0.9
109.06521	3.5
111.04395	0.7
115.03930	10.8
115.05440	3.9
117.06989	1.2
119.04979	1.0
119.08560	4.5
120.08096	0.6
121.06458	0.9
122.03636	6.0
122.10471	0.7
123.04392	0.7
127.03922	1.7
128.06215	2.8
129.07002	2.0
129.10225	0.8
131.04924	7.9
132.05707	2.5
133.04958	6.6
133.06474	2.9
133.10188	0.8
135.04321	0.8
136.07578	1.5
137.05969	100.0
139.03876	1.2
141.06990	1.6
143.04945	0.7
145.04927	0.7
145.06438	1.4
146.03575	1.3
147.04395	1.1
147.08051	5.7
149.05907	0.8
151.03934	1.0
151.07553	1.0
156.05652	0.9
159.08044	2.3
160.05197	2.7
161.05971	9.5
163.03844	1.0
163.07538	14.3
167.07042	1.6
169.06462	1.5
171.07993	1.9
175.07542	52.8
175.14804	0.7
176.07967	0.7
177.05470	0.6
177.09100	1.0
178.07841	0.7
179.07045	1.1
179.08530	0.6
184.05217	1.7
187.07509	5.4
189.09120	0.9
190.07722	0.9
191.08490	3.7
199.07533	16.2
200.04532	0.6
201.09093	2.2
202.07701	3.8
203.06880	1.0
203.08559	7.9
215.06982	1.3
217.08524	1.6
218.07263	1.1
219.08066	7.4
220.08791	2.4
231.08061	8.7
232.08798	2.2
233.09599	0.7
236.08347	1.2
247.07478	2.9
248.08372	3.9
249.08865	1.3
251.10683	6.5
253.08823	0.6
258.06763	0.9
259.07590	6.3
260.08359	3.0
263.10596	4.7
264.07944	1.4
265.08603	1.0
269.12894	1.9
276.07755	2.3
277.08505	3.1
279.10159	5.1
280.10880	1.0
287.13879	2.6
291.10135	15.0
292.10782	4.1
293.08041	1.7
293.11450	0.6
295.13242	2.1
303.13229	1.0
308.10397	2.1
309.11075	0.8
311.12784	19.2
315.13269	2.7
321.11139	1.0
323.12775	26.0
324.13358	1.0
325.14386	5.8
331.12967	1.3
335.12494	0.7
337.14474	0.8
341.14114	0.7
353.13803	1.5
443.16922	0.8
555.75977	0.7
617.25458	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	630.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68391	0.2
51.02377	0.3
53.03936	0.4
55.01863	0.8
55.05499	1.4
64.89231	0.2
65.03950	0.5
67.05501	1.1
69.03420	0.5
69.07059	0.3
69.31866	2.4
69.32195	0.3
71.04980	0.5
75.23344	0.2
77.89436	0.2
79.05488	2.4
81.07048	4.2
85.06533	0.4
91.05469	6.4
93.03358	0.2
93.07030	3.6
95.04956	1.0
95.08591	1.4
97.06499	0.4
103.05441	1.0
105.07022	11.3
107.04939	0.5
107.08584	3.1
109.02911	0.3
109.06493	1.0
109.10152	0.3
115.05431	2.3
116.06214	1.3
117.07007	4.9
119.04939	0.5
119.08568	4.2
121.06493	1.3
121.10173	0.6
123.04324	0.3
128.06207	7.8
129.06998	10.1
130.07773	0.5
131.04892	0.3
131.08556	21.6
132.08911	0.5
133.06464	0.8
133.10123	2.0
135.04410	0.7
135.08044	0.5
137.05983	0.5
141.06978	5.6
142.07770	9.2
143.08554	16.2
144.09366	1.6
145.06471	4.3
145.10114	6.5
146.07216	0.3
147.08038	1.8
147.11679	2.4
149.05954	1.0
149.09572	0.4
151.07501	0.7
152.06213	0.7
153.06970	8.5
154.07765	1.2
155.08540	18.2
156.09306	0.9
157.06595	0.5
157.10117	13.8
158.10832	0.7
159.04408	0.4
159.08055	6.6
159.11679	6.7
161.05978	0.9
161.09583	0.5
163.07552	0.8
165.06926	1.0
166.07758	0.9
167.08542	2.9
167.09831	0.3
168.09334	34.0
169.06487	0.7
169.10104	3.5
170.10957	0.4
171.08115	1.1
171.11674	0.7
172.08810	0.7
173.05991	3.0
173.09610	1.4
173.13255	9.0
174.13670	0.3
175.07555	0.8
175.11148	2.4
177.09062	1.4
178.07774	1.4
181.06583	1.0
181.10115	4.6
182.10838	0.3
183.11679	100.0
184.12025	2.0
185.09586	0.8
185.13229	2.9
186.10368	0.6
187.07532	6.4
187.11163	4.9
189.09088	0.8
193.08372	0.3
193.10117	5.7
195.07962	0.2
196.08833	1.5
199.11049	0.5
201.12730	28.1
202.13028	0.6
203.10706	0.4
205.12244	0.4
211.11165	19.9
212.11523	0.3
219.13794	6.8
227.10634	0.5
229.12216	71.6
230.12503	1.7
231.10161	0.4
247.13284	21.0
248.13615	0.5
256.88058	0.2
265.14276	0.6
285.16193	0.2
289.14426	1.3
290.41864	0.2
307.15231	0.5
324.43976	0.2
331.12466	0.2
403.90494	0.2
495.90939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51448	0.4
55.05486	1.1
56.49647	0.4
57.03416	0.7
57.07037	0.6
58.41558	0.5
58.94207	0.4
63.99519	0.5
67.05497	2.6
69.07021	1.0
73.36997	0.5
75.82311	0.4
79.05439	1.6
81.03361	0.7
81.07006	2.1
83.04948	1.1
83.08586	0.9
85.06520	0.7
91.05437	1.5
93.07028	2.2
95.04906	0.7
95.08572	1.7
97.06501	0.7
97.10120	0.7
98.03751	0.5
98.20708	1.0
105.07014	1.0
107.08556	1.1
109.10116	1.3
117.06895	0.6
119.08546	0.7
121.10114	1.0
123.11683	0.5
131.08488	0.5
133.10101	0.8
159.11635	0.8
161.13216	0.5
227.12724	0.6
315.20084	0.6
335.25775	0.6
410.13782	1.0
411.14459	1.3
412.15085	0.6
417.02386	0.5
424.15182	1.8
425.16095	5.5
426.16748	2.7
427.17828	3.1
437.16516	1.1
438.16907	1.8
439.17902	9.9
440.18466	7.6
441.19272	2.3
442.19870	1.7
451.18097	0.7
452.14038	3.8
453.15475	32.0
454.15668	2.8
454.20212	3.7
455.20844	40.3
456.21259	2.4
466.16565	1.9
467.17004	35.1
468.17566	9.0
470.15936	0.6
471.16486	1.3
480.18246	0.8
481.18457	6.5
482.19275	29.2
483.19836	2.6
485.18274	1.5
486.19101	1.0
494.18546	1.7
495.20264	1.9
499.19827	0.9
500.20453	0.9
508.19421	1.4
509.21484	1.5
512.20544	1.2
513.21515	1.6
514.21863	0.9
523.21204	1.2
526.22119	1.5
527.23267	0.8
528.23767	4.0
541.25037	3.5
553.22229	1.2
554.21124	0.9
555.22925	0.6
559.24939	0.8
569.23962	100.0
570.24200	6.2
584.38531	0.6
597.23370	1.1
600.22180	2.2
601.26465	3.9
611.47205	0.9
617.19733	0.6
629.25940	64.4
630.26117	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
60.28897	0.5
70.90049	1.2
70.90418	1.1
79.05531	0.8
81.07098	1.2
95.08660	0.6
105.07112	0.6
119.08629	0.6
129.07124	0.6
131.08643	0.6
135.48364	0.6
188.63673	0.6
396.12207	1.0
397.13385	1.7
398.13806	1.6
399.14560	1.6
400.15244	1.1
410.13657	3.7
411.14487	7.4
412.15302	5.9
413.16245	4.3
414.17120	0.6
423.14529	1.6
424.10883	1.0
424.16382	2.5
425.16266	17.1
426.16885	10.8
427.17761	3.8
428.18610	3.8
437.16278	1.3
438.12372	3.9
439.13504	21.5
440.13928	2.1
440.19373	7.4
441.19266	40.6
442.19370	2.8
443.17575	0.7
451.13776	1.2
452.14383	4.7
453.15408	25.5
454.15741	6.1
455.16602	1.1
456.18231	1.3
457.14438	0.9
459.20612	0.8
463.13861	0.8
466.16956	0.8
467.17160	25.5
468.17926	22.8
469.18750	12.2
471.16489	2.6
480.16824	0.7
481.14627	11.2
482.15802	2.3
484.21530	3.6
485.17657	1.3
485.22495	0.9
486.18878	1.1
495.17001	2.2
496.17194	11.7
497.17917	1.2
498.19107	1.5
499.20221	0.7
500.20670	4.7
508.18979	0.7
509.18625	1.1
512.20544	3.8
513.21899	5.1
514.22302	1.2
523.19702	1.8
526.18292	0.9
527.18793	0.7
528.20258	1.2
537.18622	0.8
541.20874	46.9
542.21136	2.8
553.20557	1.5
569.20251	100.0
570.20685	5.8
572.18854	1.4
573.23450	3.6
597.19666	29.9
598.20349	1.3
600.22052	1.5
601.22906	15.6
602.23267	1.0
615.20380	1.0
629.22168	66.8
630.22443	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	629.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77583	0.8
59.66791	0.8
70.77357	3.0
71.34119	0.9
74.05804	0.9
76.01637	0.7
85.02906	0.8
163.03915	1.5
163.92657	0.8
181.99634	0.9
188.07153	1.8
203.05336	1.0
223.16161	0.7
287.12415	3.8
295.33383	0.9
305.13565	2.4
449.17795	6.0
467.18900	100.0
468.19351	2.4
629.24133	87.1
630.24481	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03133	0.4
53.03942	0.4
55.01854	0.4
55.05501	0.7
57.03420	0.3
65.03947	0.3
67.05489	1.4
69.03423	0.3
69.07082	0.3
69.53742	1.0
69.54159	2.0
70.06581	0.4
78.04713	1.8
79.05483	2.5
81.03411	0.9
81.07046	1.1
83.05000	0.5
91.05478	2.1
93.07027	1.2
95.04961	1.3
95.08572	0.6
98.21468	0.6
99.04445	0.3
103.05469	0.5
105.03381	0.3
105.07026	2.2
106.04172	1.1
107.04968	2.4
107.08565	0.6
109.06548	0.4
109.10177	0.4
115.05443	0.7
117.07030	0.6
119.04922	0.4
119.08563	0.4
121.02854	0.3
121.06487	1.0
121.10099	0.4
122.03665	0.5
123.04429	5.3
124.05250	2.4
126.63626	0.3
128.06226	0.4
128.40373	0.3
129.07002	0.5
131.04898	0.7
131.08569	0.7
133.06479	1.7
133.10118	0.4
134.03635	0.3
137.05946	1.3
141.07066	0.4
145.06459	1.2
149.05986	1.0
149.09607	0.4
151.03883	1.3
152.04675	1.5
157.06587	0.4
157.10146	0.4
159.08051	0.5
161.06007	1.7
163.03835	0.4
163.11212	0.7
165.05447	0.6
167.07030	100.0
168.07335	5.1
169.07585	0.4
173.05991	1.6
175.07547	0.5
175.11121	0.4
177.09099	0.3
179.06946	0.4
181.04953	1.4
181.06477	0.5
181.08531	1.6
187.07538	0.6
190.06273	0.7
191.06973	0.4
193.08597	6.0
195.06500	0.4
199.07487	0.7
202.06041	0.3
205.08546	2.4
209.08005	0.6
210.08839	0.8
211.09625	3.5
215.07100	0.4
217.08502	0.8
219.10103	0.9
221.08006	0.6
233.11836	0.4
283.15558	0.4
315.08612	1.1
328.09814	0.4
329.17526	0.5
330.10965	1.8
343.11929	0.4
357.13052	0.4
383.14804	0.8
385.20392	0.4
401.15753	0.7
418.15448	0.5
419.15942	1.0
431.16687	0.5
437.69513	0.4
525.27490	0.6
611.24481	0.7
611.33307	0.4
629.32458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01880	14.1
55.05511	51.9
55.30208	1.6
57.03434	12.3
57.07069	6.1
57.29977	1.7
59.05001	3.1
65.03912	3.2
67.05505	100.0
69.03419	3.0
69.06716	3.4
69.07070	34.8
70.89268	1.8
70.89603	4.7
71.04981	7.6
71.08633	2.7
73.06552	1.9
75.04521	1.9
79.05492	80.9
81.03416	4.7
81.07057	90.7
83.04965	8.9
83.08617	23.8
85.06538	5.1
91.04905	2.7
91.05015	1.4
91.05479	65.4
93.07043	71.6
95.04976	9.9
95.08604	61.7
96.08130	4.7
97.06541	14.8
97.10163	24.8
99.08089	3.4
103.05477	1.9
105.07035	60.4
107.04958	12.3
107.08597	67.9
109.06500	8.8
109.10146	37.2
111.08097	6.3
117.07018	23.4
119.08580	49.1
121.06568	3.6
121.10133	29.0
121.69799	1.8
123.08083	6.8
123.11713	16.2
125.09630	19.6
125.44741	1.7
128.06290	2.6
129.07010	17.0
130.07768	3.0
131.08565	38.5
133.06462	2.1
133.08614	2.3
133.10129	45.0
135.08098	5.1
135.11676	18.6
137.09595	2.6
137.13324	2.5
141.07025	4.6
142.07813	3.7
143.08543	17.6
145.10117	41.9
145.79247	2.3
147.07961	2.0
147.11659	30.0
149.09624	24.7
149.13289	7.6
150.21883	1.7
153.12735	2.9
155.08606	5.8
156.09459	2.0
157.10127	23.3
157.26799	1.9
159.11670	27.8
161.13242	13.1
163.11238	7.1
163.14879	5.4
169.10101	13.5
171.11664	16.8
173.09625	2.4
173.11890	3.0
173.13280	15.1
175.11186	2.4
175.14865	5.4
177.12773	3.2
180.31548	2.0
181.10217	5.1
182.10934	2.0
183.11734	9.3
184.91032	1.9
185.13275	11.1
187.11200	2.1
187.13370	3.8
187.14899	10.7
189.11261	12.6
189.12825	3.4
189.16486	3.1
195.11722	5.8
197.13278	7.6
199.14870	8.4
201.16447	5.8
207.11566	2.2
209.13347	5.4
211.14862	5.0
213.16460	5.2
215.18045	5.4
221.15445	2.1
227.12796	17.4
227.17996	4.1
229.19551	3.3
239.17984	6.8
241.19521	5.5
243.15970	3.8
247.16846	2.2
255.21109	2.5
257.19098	10.1
259.20615	5.3
261.18832	1.8
261.22284	4.7
265.19427	2.3
267.21011	2.3
275.20078	60.1
277.21643	5.1
293.21262	3.1
297.22055	3.6
308.99899	1.9
327.23010	2.2
333.24371	3.6
335.25803	33.0
349.23773	20.3
351.25583	2.9
367.30051	7.1
385.31250	3.6
423.32724	2.4
441.33783	3.3
515.37366	5.8
517.40503	10.7
527.36517	2.4
529.38757	6.0
535.41681	8.6
553.41968	4.3
564.17371	2.6
591.44513	3.1
609.45099	76.3
610.45422	2.6
627.28552	5.6
627.46216	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76552	1.7
53.03927	5.1
54.08466	2.0
55.01860	8.5
55.05507	12.9
55.38844	1.9
55.52180	1.9
57.03433	4.1
57.07065	11.2
59.04979	3.2
61.02919	2.4
63.04038	1.6
66.84128	1.9
67.05499	29.6
69.03439	17.6
69.07065	29.9
69.31063	17.1
69.31479	4.0
70.06579	4.1
71.04979	7.3
73.02908	3.7
73.36755	1.8
76.36861	1.8
79.05491	16.4
81.03433	13.3
81.07055	78.1
83.04974	5.2
83.08609	7.8
85.02899	33.2
85.06538	100.0
86.09724	2.0
87.00824	13.7
87.04458	3.0
91.05475	8.5
93.07046	42.0
95.04959	2.4
95.08600	65.0
97.02901	9.5
97.06519	10.0
97.10185	6.0
99.04451	4.4
99.08101	15.4
101.06013	1.9
105.01848	7.6
105.07026	23.6
107.08588	42.8
109.02873	8.7
109.10142	48.1
111.08070	15.0
111.11701	4.5
113.09638	8.4
115.07581	2.5
117.01835	2.4
117.06992	2.2
119.08578	19.2
121.10136	34.2
121.10926	3.6
123.11685	20.6
124.97326	1.9
125.09631	14.0
127.03915	15.2
127.11180	2.9
131.08565	3.7
133.10132	12.8
135.11678	27.9
137.05956	3.0
137.09555	2.4
137.13231	11.5
139.11185	13.7
143.10703	4.6
145.04961	5.3
145.10117	5.6
147.11679	10.4
149.13254	26.4
151.11240	2.7
151.14857	2.9
153.12733	8.5
155.10632	4.2
157.12228	14.9
159.02885	6.1
159.11658	7.9
161.13272	11.7
163.03882	2.0
163.14815	11.8
167.14308	3.7
171.13724	3.1
173.13263	3.9
175.14798	14.0
177.16389	8.9
179.14272	4.2
183.13782	3.0
187.14848	4.0
189.16391	4.3
191.17943	10.0
193.15880	7.1
195.99850	1.9
201.16356	3.3
203.17896	4.6
205.19569	2.4
207.17519	3.1
211.16907	34.8
215.17934	4.9
221.19075	2.4
229.17955	29.1
231.05006	3.7
231.21147	4.5
254.56091	1.7
259.24289	3.4
270.68799	1.8
271.24240	7.9
277.25336	10.2
287.05508	2.7
289.25244	23.1
295.26303	26.4
299.05557	3.5
307.26291	42.2
313.27383	16.2
325.27377	47.7
343.28418	34.1
465.22238	2.2
488.21136	1.8
543.29413	2.1
560.02368	1.9
627.27814	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	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01883	0.7
55.05514	2.6
61.46683	0.8
65.03942	0.9
67.05506	5.8
69.07084	1.6
70.06588	2.0
71.63919	1.3
79.05505	3.3
81.03459	0.9
81.07056	4.7
83.08624	1.0
91.05497	3.0
93.07050	3.1
95.04971	1.2
95.08604	2.9
96.08138	4.5
97.06557	1.3
105.07039	3.5
106.02908	1.0
107.08598	2.2
109.10176	2.3
117.07030	1.1
119.08591	2.9
121.10149	0.9
123.11757	0.9
129.07028	1.1
131.07355	0.9
131.08629	1.1
133.10136	1.6
135.11696	0.9
136.07570	1.4
143.08562	1.5
145.08977	1.0
145.10139	1.7
146.09622	1.3
147.11722	2.1
149.13239	0.8
150.09131	0.9
155.08551	0.9
159.11876	0.8
163.11169	0.9
171.11720	1.2
172.07593	0.9
174.09225	3.3
187.08673	1.0
187.12299	5.9
188.10767	2.8
197.10855	1.3
211.08618	1.7
213.10374	1.0
215.11847	3.5
223.08748	1.0
224.09416	1.6
225.10236	3.0
227.11859	1.9
229.09885	1.0
235.08791	1.8
237.10153	1.2
239.11826	2.5
241.13489	3.7
243.11304	28.4
249.10326	3.1
251.12071	1.5
252.09143	0.8
253.09769	2.3
253.13660	1.3
265.09683	1.0
267.11331	6.4
269.12897	2.2
277.09705	2.2
283.14578	0.8
285.12610	2.4
290.09232	0.9
291.11481	1.6
295.10837	4.4
301.12277	0.9
301.15601	2.2
309.12534	0.9
312.11572	1.0
314.13098	2.1
316.11069	1.9
316.14456	1.6
319.10709	1.8
320.14081	1.2
325.15533	11.7
327.13324	4.1
328.10931	2.4
328.14417	1.7
329.11755	1.8
330.12338	3.9
332.14008	1.0
334.15683	1.2
341.11572	0.9
342.12393	4.7
342.16098	1.3
343.13181	3.6
344.13858	4.1
345.14996	2.1
346.15546	2.9
348.13391	4.8
355.13254	1.0
356.13870	3.7
357.14987	1.2
358.15701	3.6
359.16364	1.3
360.17245	1.9
362.15137	1.2
370.15689	3.5
371.16376	1.4
372.17142	5.1
374.15048	1.4
383.16522	1.0
384.17413	2.3
385.18076	1.1
386.15048	2.4
386.19168	2.0
398.15118	0.9
400.16690	1.7
403.16037	2.1
407.15222	1.3
416.16037	1.1
417.16843	1.0
418.17975	1.2
419.18896	1.6
420.16797	1.3
421.12558	1.3
422.17468	1.6
423.18536	1.2
428.15738	1.1
431.18719	1.8
432.19507	3.6
435.14001	1.8
436.19711	1.1
437.20013	3.2
447.21762	3.0
449.15894	2.3
450.16446	1.8
450.21689	1.2
451.17072	1.4
461.23212	2.5
462.24353	2.7
463.21811	4.6
464.19705	0.9
465.18893	14.1
466.19882	1.6
475.21619	1.3
476.21399	1.2
477.19299	1.8
478.20309	2.1
479.20773	7.0
480.21454	5.8
481.22437	3.4
489.23148	1.8
491.21274	1.2
492.21594	3.8
493.23245	4.7
494.23132	1.3
504.21359	2.3
507.24164	4.6
508.20865	1.8
517.22534	2.9
520.20819	1.7
521.21887	1.0
529.38074	1.0
535.23303	8.8
549.25031	15.4
553.24609	2.1
553.36652	1.6
567.26062	91.9
568.26685	3.3
577.24304	2.6
577.63452	1.1
595.25507	100.0
596.25812	3.0
626.46106	2.8
627.28192	49.4
627.45740	3.6
628.28278	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32747	0.1
53.03941	0.5
53.75744	0.1
55.01862	0.5
56.20038	0.1
57.03427	0.6
61.02925	1.0
65.03935	0.3
66.92063	0.1
68.99792	0.4
69.03426	2.5
69.71886	0.4
69.72315	0.4
70.06588	0.3
71.04971	0.2
71.89846	0.1
72.08145	0.2
73.02906	0.4
81.03412	1.3
81.53716	0.1
83.01327	0.2
85.02905	6.8
85.03419	0.3
87.04466	0.4
90.76170	0.1
91.03938	0.3
93.03388	0.3
95.04963	0.2
97.02895	2.5
99.04461	0.5
109.02879	0.9
111.00806	1.0
114.10371	0.1
116.98626	0.1
121.02874	1.0
123.04421	0.3
127.03937	1.3
135.04391	0.1
137.02328	2.7
145.04936	0.9
149.02339	0.5
149.30618	0.1
153.01819	3.2
153.03004	0.2
155.04880	0.2
159.04301	0.1
161.05977	0.4
163.03918	0.8
165.01836	2.0
166.02637	0.2
173.05937	0.3
181.04938	0.2
183.02878	0.8
183.04399	0.2
187.03932	0.3
191.03429	0.2
195.02933	0.2
201.05450	1.4
205.05008	0.2
207.02869	0.1
219.02882	0.1
219.06540	0.2
228.04108	0.2
229.04962	4.0
247.05981	0.8
257.04422	2.7
261.04037	0.1
274.04697	0.8
275.05377	0.2
285.03979	1.4
303.04977	100.0
304.05325	1.8
336.26276	0.1
345.05939	0.3
465.10284	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	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05493	0.7
58.78236	0.6
67.05500	2.1
69.07048	0.6
70.16549	2.6
79.05499	1.4
81.07048	1.6
84.39930	0.6
91.05508	1.9
93.07061	0.9
95.08666	0.7
96.08127	1.2
106.06525	0.7
119.08582	1.0
120.04479	0.7
131.07314	1.0
136.07623	1.2
138.09084	0.8
144.08240	0.7
146.09634	1.2
170.09645	0.6
172.07579	0.8
172.10001	0.7
174.09129	5.0
185.07124	0.8
187.08705	1.5
187.12282	5.2
188.10767	2.8
195.09154	0.7
196.10045	0.9
197.07202	0.9
197.10751	1.1
198.09241	1.5
199.12431	0.8
200.07333	0.6
200.09361	1.2
209.07059	1.0
211.08719	2.1
215.11861	3.3
221.10728	1.0
224.09521	2.1
225.10245	4.8
226.10904	1.2
227.08052	0.7
227.11781	4.0
235.08687	1.6
237.10179	1.1
238.13156	0.6
239.11832	2.1
241.13380	2.6
242.11804	0.8
243.11267	26.1
249.10347	2.7
251.11862	2.2
252.09056	1.4
253.09802	2.6
261.10321	1.2
263.11905	1.6
265.09662	1.0
267.11316	8.2
269.12979	2.5
275.09543	1.7
277.09732	2.0
279.11472	0.6
283.14359	0.8
285.12286	3.5
290.09372	0.6
291.11224	1.2
293.12750	1.0
295.10800	2.8
299.13983	2.0
300.11493	1.1
301.12411	1.1
301.15573	3.4
302.09668	0.7
302.12918	1.0
306.11710	1.0
309.12360	2.1
313.12177	1.4
314.12875	1.6
315.13748	0.9
316.10947	1.2
316.14575	1.2
317.11719	1.2
318.12531	0.8
319.10736	1.0
320.09250	1.0
320.13974	0.8
323.14005	0.8
325.15479	8.1
326.12900	1.2
327.13361	7.1
328.10703	2.0
328.14502	2.4
329.11606	1.9
330.12335	2.9
330.16214	1.7
331.13177	1.1
334.15521	1.2
341.11801	0.9
342.12424	3.7
342.16055	1.2
343.13242	3.7
344.14032	4.2
345.15030	1.2
346.15576	2.2
348.13477	3.8
348.17297	0.8
351.13629	1.0
353.14807	0.8
355.13156	1.5
356.13889	5.2
357.14877	1.9
358.15628	3.3
359.16156	0.9
360.17310	1.6
370.15497	2.5
371.16202	1.1
372.17136	5.0
374.14761	1.1
374.19077	1.3
375.16876	0.8
384.17297	1.2
386.14917	2.1
386.18765	2.7
389.14203	1.0
392.17728	0.8
393.17987	0.8
398.14978	1.5
400.16611	2.6
403.15836	1.1
407.15192	1.4
412.16464	0.9
416.16177	1.0
417.16769	1.1
418.17474	1.4
419.18713	1.0
421.16797	1.9
422.17682	1.3
423.18515	1.2
430.17532	1.3
431.18518	2.1
432.19226	3.7
434.18369	0.9
435.14478	2.7
435.19305	1.3
436.19839	1.4
437.19785	1.9
444.19409	1.2
445.20416	1.4
447.16980	1.1
447.21808	2.7
448.20450	0.9
449.15588	1.0
449.20032	2.0
450.16299	1.5
450.21732	1.6
451.17563	2.4
460.18866	2.0
461.23236	2.5
462.24844	3.5
463.22333	3.2
465.18802	14.3
466.19434	1.5
472.18829	1.1
474.20261	1.1
476.19595	1.5
477.19296	1.5
478.20047	1.1
479.20572	7.9
480.21448	4.5
481.22574	4.1
489.23065	2.0
490.21490	2.0
491.20770	1.2
492.21878	3.6
493.23053	3.9
494.22943	1.5
495.23337	0.7
504.21011	4.3
505.22025	1.5
506.23032	1.0
507.24112	4.8
508.21082	1.0
517.22467	1.7
520.21240	1.1
521.22974	1.2
524.24213	0.9
529.37463	1.8
535.23444	8.1
536.23724	0.8
539.26581	0.9
540.23767	1.1
541.24420	1.8
549.24976	13.2
552.23230	0.9
553.24500	2.3
567.26007	72.2
568.26202	3.8
577.23846	3.0
595.25482	53.6
596.25836	2.2
609.26776	1.1
627.28088	100.0
628.20032	0.7
628.28833	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01857	0.8
57.03427	0.6
61.02908	1.2
65.03937	0.3
68.49520	0.3
68.99808	0.4
69.03426	2.6
70.06577	1.3
71.04977	1.0
71.23621	0.6
72.08136	0.3
73.02907	0.6
81.03390	1.0
84.04503	0.3
84.08135	0.4
85.02898	9.1
87.04461	0.3
91.03960	0.3
91.05469	0.4
95.04946	0.6
97.02886	2.6
99.04432	0.7
109.02863	0.9
111.00809	0.9
120.08028	0.3
121.02869	0.8
123.04399	0.8
125.26516	0.3
127.03896	2.4
129.05446	0.3
137.02353	2.4
137.05994	0.3
140.04663	0.6
145.04973	1.9
147.04382	0.6
149.02336	0.3
153.01810	3.0
155.03456	0.3
155.06990	1.1
161.05998	0.7
163.03873	1.1
165.01840	1.8
165.05544	0.4
181.04926	1.9
183.02921	0.6
193.04951	0.4
201.05481	1.7
212.92159	0.3
219.06429	0.3
229.04950	3.3
247.06029	0.6
257.04492	2.4
274.04895	0.6
275.05453	0.4
282.51788	0.3
285.03934	1.2
303.04977	100.0
304.05237	2.7
319.04480	4.8
345.06088	0.5
465.10284	11.6
639.45886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01868	16.0
55.05510	42.3
56.16089	1.7
56.16368	1.4
57.03436	10.5
57.07069	3.1
59.04995	1.9
65.03929	3.5
67.05503	73.8
69.03440	4.1
69.07066	34.0
69.99212	8.6
70.06583	1.9
71.04988	5.1
78.77453	1.5
79.05490	56.6
79.42701	1.2
79.50937	1.4
81.03418	6.0
81.03848	1.3
81.07056	74.9
83.04980	6.2
83.08614	21.2
85.02879	1.6
85.06536	2.7
91.05473	54.6
91.56179	1.2
93.07041	51.6
95.04974	8.8
95.08607	51.7
96.08131	14.2
97.02853	1.7
97.06526	12.6
97.10175	15.1
98.20765	1.6
98.98457	3.5
99.08093	2.9
103.05456	2.1
105.07027	58.3
107.04972	6.0
107.08592	37.7
109.06507	6.1
109.10157	27.4
109.45514	1.3
111.08077	4.9
115.05370	3.4
117.07021	27.7
119.08581	41.7
121.06535	4.1
121.10146	20.3
123.08086	4.6
123.11724	7.7
125.09614	9.5
128.06236	4.7
129.06999	20.2
130.07774	2.1
131.08559	36.0
131.09506	2.0
132.08871	1.8
133.06430	2.8
133.09125	1.9
133.10130	36.9
135.08093	5.2
135.11694	13.9
137.06013	1.5
137.09651	4.2
138.34750	1.4
139.11200	3.1
141.06996	9.3
142.07803	3.3
143.08557	27.7
144.09381	2.6
145.06505	4.4
145.10126	34.4
147.08034	5.0
147.11688	20.0
149.09608	10.8
149.13251	8.3
151.11205	2.6
153.09091	2.2
155.08536	15.6
156.09352	2.9
157.10126	22.2
159.08112	3.4
159.11714	22.4
161.09630	4.0
161.13269	9.3
163.11205	6.1
163.14772	1.5
165.07037	3.5
165.12846	1.7
166.07828	2.3
167.08574	8.6
168.09314	2.9
169.10124	18.0
171.08029	2.5
171.11693	20.4
173.09637	4.2
173.11794	3.3
173.13164	12.3
175.11205	3.4
175.14812	5.5
177.12709	2.2
179.08565	3.8
181.10101	11.6
182.10808	2.3
183.11691	18.5
185.09645	3.1
185.13277	14.5
187.11217	3.9
187.13286	2.6
187.14761	8.7
189.11194	2.3
189.12737	2.0
189.16385	2.6
193.10190	4.8
195.11703	12.8
197.13242	14.4
199.11162	3.0
199.14787	11.6
201.12755	2.0
201.16446	3.3
203.14349	2.4
207.11775	4.3
209.13242	9.3
211.14845	11.0
213.12875	1.9
213.16402	5.5
215.17928	2.5
217.15886	2.6
221.13216	4.0
221.15166	1.5
223.14902	6.9
225.16431	6.1
227.12830	4.6
227.17978	2.4
233.13152	2.5
235.14865	3.4
237.16476	4.8
239.14439	2.1
239.18021	5.2
241.19539	5.3
243.21149	1.8
247.14943	2.1
249.16379	1.8
253.19623	3.2
255.17574	2.3
255.21245	1.9
257.19067	5.8
259.20508	7.7
261.22226	1.6
265.19391	1.5
267.21075	2.0
273.18628	4.3
275.20071	16.6
277.21899	2.5
281.19019	1.7
283.20575	2.2
285.22144	1.5
287.20084	1.9
297.22076	2.0
301.25082	3.5
309.22046	1.5
311.23715	3.0
313.28653	1.5
315.23138	2.7
325.21756	2.0
327.23447	2.6
333.24268	4.1
337.25269	1.9
349.23822	7.1
353.24908	1.7
363.26917	2.4
365.28506	5.4
367.25912	1.8
379.30093	3.9
381.31720	2.5
383.29590	2.2
409.31790	1.5
421.31146	3.4
435.32730	4.3
439.32224	3.0
453.33755	3.4
461.34094	1.7
471.34595	4.9
495.35098	2.9
499.33588	2.4
513.35675	21.1
515.38715	6.0
527.37341	33.5
528.37909	3.2
533.39911	11.4
539.37482	1.9
551.40845	12.8
555.36731	2.0
569.41455	2.2
589.42590	4.6
607.43512	51.8
608.43835	2.1
623.86475	1.9
625.35620	4.2
625.44580	100.0
626.45239	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58123	1.5
51.74934	1.4
53.03932	3.9
55.01860	7.0
55.05264	2.8
55.05509	32.6
57.03418	6.0
57.07058	3.5
59.04984	1.7
65.03922	3.9
66.13228	1.5
67.05499	53.9
69.03412	2.9
69.06721	2.2
69.07066	23.1
69.51175	14.1
71.04987	5.0
71.08620	1.7
79.05494	33.9
81.03400	2.8
81.07053	55.0
83.04987	2.3
83.08617	18.4
85.06544	2.4
91.05472	33.8
93.07040	33.4
95.04961	6.3
95.08598	29.6
96.08138	1.9
97.06532	9.1
97.10173	14.2
103.05489	2.1
105.07020	27.2
107.04965	4.1
107.08598	28.3
107.09312	3.0
109.06499	5.6
109.10152	19.8
111.08099	4.4
115.05412	2.2
117.07002	18.6
119.08573	24.9
121.10156	11.3
123.08024	2.4
123.11714	12.0
125.09617	10.9
128.06239	4.6
129.07002	18.8
130.07796	2.3
131.08551	25.8
133.10123	21.8
135.08031	2.5
135.11687	6.7
141.06989	8.7
142.07787	6.4
143.08545	23.5
145.10126	21.8
147.11667	11.9
149.09625	3.4
149.13202	3.8
151.11160	3.1
153.06952	2.1
154.07751	2.9
155.08575	16.1
156.09354	3.7
157.10118	23.3
159.11696	18.9
161.09586	2.4
161.13242	6.3
163.11165	2.6
163.14874	2.0
165.07027	2.3
167.07005	1.4
167.08563	5.4
168.09363	3.7
169.10126	19.7
170.11000	1.8
171.11667	18.0
173.13303	8.1
175.11258	1.8
175.14822	3.7
180.09270	1.7
181.10091	10.4
182.10983	2.1
183.11711	19.5
185.13239	12.8
187.13277	3.3
187.14835	5.0
189.11272	5.3
189.16426	1.6
193.10208	1.9
195.11705	9.1
197.13287	14.3
199.14870	10.4
201.16475	4.1
207.11809	3.6
209.13336	6.3
211.14786	10.9
213.16461	7.2
215.18187	1.6
221.13297	6.9
223.14867	6.3
225.16408	6.9
227.12805	7.3
227.17998	1.9
235.14836	2.5
237.16423	4.8
239.18044	4.9
241.19577	5.7
243.15871	3.3
249.16418	3.2
251.18062	3.9
253.19479	2.3
257.19052	3.7
259.20584	4.4
267.21170	2.4
273.18518	2.9
275.20142	7.8
291.19534	2.0
315.23254	2.0
325.25534	2.1
333.24246	4.0
337.25290	2.0
349.23856	3.0
353.24942	2.1
363.27063	1.8
365.28387	15.1
381.31665	5.4
383.29556	5.0
421.31302	3.4
439.32083	5.2
513.35870	14.2
515.38959	8.8
522.79315	1.9
527.37354	6.6
533.39893	11.2
551.41113	5.2
589.42615	2.3
607.25262	2.3
607.43573	38.9
625.26721	5.4
625.44611	100.0
626.45111	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01874	18.6
55.05511	35.7
57.03435	9.9
57.07069	4.1
59.04993	2.5
59.31835	1.5
65.03944	5.4
67.05501	73.6
69.03429	3.4
69.07068	31.5
71.04989	4.9
71.08633	3.0
71.65450	1.9
79.05490	49.4
79.29021	1.5
81.03438	5.2
81.07055	67.0
83.04977	5.1
83.08618	18.9
85.06542	4.4
91.05473	47.7
93.07037	48.1
95.04966	14.1
95.08599	46.4
96.08150	2.1
97.06532	11.9
97.10159	13.3
99.08085	2.8
103.05485	2.4
105.04527	1.7
105.07030	43.5
107.04961	5.1
107.08586	34.2
109.06509	9.6
109.10162	27.6
111.08077	4.4
115.05451	3.0
117.07005	25.0
119.08574	37.3
121.06505	4.0
121.10136	19.0
123.08118	3.2
123.11668	8.3
125.09633	7.8
128.06252	6.2
129.07001	19.1
131.08563	30.1
133.06506	2.5
133.10129	22.9
135.08087	5.8
135.11674	12.9
137.09616	3.4
139.11168	2.6
141.06981	7.9
142.07796	5.6
143.08562	25.5
145.06474	3.7
145.10121	27.8
147.08051	3.2
147.11674	15.8
149.09628	4.8
149.13271	4.0
151.11209	4.2
154.07854	2.0
155.08553	15.6
157.10127	22.0
159.08156	2.7
159.11693	21.9
161.09628	4.8
161.13239	8.0
163.11189	3.8
163.14803	2.1
165.12724	2.1
167.08592	6.0
168.09291	2.1
169.10100	19.1
171.11658	23.7
173.11823	2.6
173.13310	12.4
175.11163	3.4
175.14841	2.4
179.08577	4.1
181.10107	12.0
182.10942	2.5
183.11678	17.1
185.09576	2.1
185.13225	13.2
187.11273	2.5
187.14841	5.4
189.11264	4.0
189.12738	2.9
189.16443	2.5
193.10220	2.8
193.12131	1.4
195.11737	11.7
196.12469	1.7
197.13284	14.9
199.11218	2.2
199.14752	9.8
201.16463	4.4
205.10303	1.7
205.12267	2.0
207.11761	5.3
209.13235	9.2
211.14880	7.3
213.12944	2.0
213.16429	4.9
215.17946	3.0
217.15898	2.1
221.13313	3.3
223.14850	7.0
225.12856	2.0
225.16417	3.5
227.12767	2.7
227.17905	3.7
233.13206	2.0
235.14835	3.8
237.16451	2.9
239.17982	3.9
241.19528	5.9
246.39717	1.4
249.16353	2.9
251.17929	2.5
253.19728	2.6
257.18893	3.9
259.20578	5.0
263.17926	2.1
273.18539	6.4
275.20084	9.1
277.21814	2.9
291.19745	5.6
315.23187	3.4
323.23819	1.9
327.23419	1.8
331.22705	1.7
333.24319	2.9
335.25330	1.5
347.22467	3.3
349.23807	6.3
365.28442	4.6
379.30020	3.6
381.31540	3.1
421.30911	4.4
428.26498	1.9
435.32626	2.4
439.31955	3.3
513.35748	21.4
515.38727	7.9
525.35406	2.1
527.37091	13.8
528.37683	2.7
533.39679	11.7
551.40936	4.8
565.28131	3.8
589.42352	3.7
597.45129	1.9
607.43445	39.3
608.43842	2.4
625.29138	4.6
625.44592	100.0
626.45074	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
54.01651	1.4
55.01875	13.5
55.05267	2.2
55.05513	39.0
57.03436	9.1
57.07070	4.7
59.04986	3.0
59.64825	1.4
65.03928	3.3
67.05505	68.8
69.03431	3.1
69.06721	2.9
69.07067	33.1
71.04988	6.9
71.08635	2.2
71.25047	3.4
79.05492	48.3
79.19931	1.5
79.67682	1.8
81.03416	3.2
81.07057	61.5
83.04977	4.3
83.08609	18.2
85.06564	3.5
90.65487	1.8
91.05482	44.2
93.07041	45.1
94.51136	1.5
95.04974	9.6
95.08056	2.8
95.08612	37.8
96.08121	2.2
97.06538	12.6
97.10168	13.7
99.08088	3.4
105.07030	45.2
107.04967	5.8
107.08589	28.2
109.06532	3.8
109.10156	23.8
111.08074	5.7
111.11655	1.5
113.09675	1.5
115.21732	1.6
116.06236	1.7
117.07027	24.4
119.08585	35.5
119.09366	2.9
121.06490	2.2
121.10146	17.4
123.08095	4.1
123.11717	9.8
125.09641	10.3
128.06229	7.0
129.06996	18.9
130.07835	2.3
131.08563	29.8
133.06519	2.8
133.10138	26.8
135.08063	5.9
135.11691	11.1
137.09607	4.5
141.06943	9.5
142.07782	7.0
143.08563	24.5
144.09297	2.0
145.06494	1.9
145.10124	29.6
147.08080	2.9
147.11667	13.8
149.09627	7.1
149.13297	5.2
151.11179	1.6
154.07796	1.9
155.08562	13.1
156.09377	3.1
157.10139	23.2
157.11325	2.5
159.07986	2.6
159.11705	13.6
161.09618	2.0
161.13257	9.3
163.11212	4.5
163.14803	3.3
166.07826	1.9
167.08615	6.4
168.09328	3.3
169.10112	22.7
171.11684	19.8
173.11874	3.2
173.13243	12.6
175.11185	3.3
175.14882	4.6
177.12686	1.8
179.08665	2.7
179.14265	1.7
180.09393	2.1
181.10114	11.9
183.11710	24.6
185.13246	13.8
187.11246	3.0
187.13277	2.8
187.14835	6.3
189.11237	3.5
189.16422	1.9
193.10249	3.6
195.11708	11.0
197.09688	2.5
197.13278	17.0
199.11160	2.5
199.14786	7.9
201.16467	2.4
205.10176	2.4
206.10960	1.9
207.11749	4.6
209.13202	8.8
211.14845	9.7
213.16441	6.3
215.10666	1.7
219.11743	1.9
221.13283	5.3
223.14912	7.4
225.12683	2.3
225.16457	5.2
227.12723	7.7
229.14369	2.9
235.14822	4.0
237.16504	3.3
239.17973	5.3
241.19525	5.0
243.15923	3.8
247.14832	2.2
251.17917	3.2
253.19579	2.7
255.21004	1.6
257.19022	5.7
257.66568	1.7
259.20657	7.1
261.22079	2.7
265.19678	2.0
271.20630	2.3
273.18488	3.2
275.20090	16.8
277.21808	1.9
283.20578	2.0
295.20642	1.9
297.22360	1.9
305.22742	1.5
309.21982	2.0
325.25113	1.8
333.24353	5.5
339.23306	3.2
339.27045	1.9
347.22260	1.9
349.24033	6.4
365.28342	8.7
367.26218	2.0
379.30148	2.9
381.31857	3.2
383.29584	4.1
395.29437	1.9
403.29956	1.8
421.30887	4.3
435.32556	1.8
439.32196	4.5
513.35785	18.2
515.38782	10.2
527.37476	5.3
533.40198	12.1
551.41064	7.3
555.36450	2.9
567.41278	2.0
595.43616	1.8
607.43689	43.5
625.44653	100.0
626.45367	6.8
641.19611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01872	45.8
55.05506	25.7
57.03438	8.8
57.07069	4.6
67.05504	58.6
69.03424	3.6
69.07065	82.2
70.14191	4.9
70.14591	2.7
71.04972	3.0
71.08640	1.8
79.05487	39.1
81.03410	6.7
81.07053	67.8
83.04964	10.3
83.08616	12.3
85.06553	4.0
91.05479	51.6
93.07042	43.4
95.01326	5.1
95.04974	9.3
95.08604	45.2
97.06530	48.1
97.10149	9.3
98.44980	1.7
99.08086	3.9
103.05478	2.2
105.07028	61.5
107.04948	16.3
107.08591	25.3
109.06526	5.4
109.10157	16.8
111.08091	6.1
115.05475	4.9
117.07008	25.8
119.08571	50.6
121.06481	3.9
121.10130	15.1
123.08040	4.6
123.11729	4.4
125.09654	5.8
128.06253	5.3
129.05530	2.6
129.07002	18.4
131.08560	44.6
131.09489	2.8
133.06506	2.3
133.10126	33.3
135.08060	4.0
135.11716	10.3
137.09572	2.6
137.13290	2.5
141.07024	6.4
142.07809	3.7
143.08548	27.2
144.09300	2.9
145.06396	3.3
145.10117	37.7
147.08095	4.6
147.11674	24.3
149.09639	10.0
149.13229	8.1
151.11195	5.1
154.07785	2.1
155.08545	16.0
156.09331	3.6
157.10136	23.8
159.08028	2.3
159.11703	28.1
161.09647	1.9
161.13261	19.7
163.11166	5.2
163.14825	3.7
167.08598	7.3
168.09413	3.0
169.10118	22.2
171.08131	2.1
171.10258	3.0
171.11678	26.2
173.13235	19.9
175.11305	2.1
175.14836	9.1
177.12711	3.9
179.08679	3.0
179.14233	9.7
181.10129	10.1
183.08087	1.7
183.11674	19.3
183.12956	1.8
185.13235	17.5
187.11220	4.8
187.14737	8.4
189.12752	3.2
191.14474	2.6
193.10150	3.5
195.11768	8.1
195.13524	1.9
196.12463	1.9
197.13232	12.8
199.11214	3.0
199.14809	9.2
201.12833	2.7
201.16409	4.7
207.11768	4.1
209.13258	9.8
210.13899	2.1
211.14851	5.9
213.16449	5.1
215.18002	2.5
217.19522	2.1
221.13338	4.4
223.14856	5.2
225.16438	5.3
227.17990	2.2
229.19519	2.1
231.17441	2.1
231.21078	3.1
233.13199	2.4
235.14886	3.7
237.16470	5.1
239.18062	4.8
241.19559	17.6
249.16484	3.4
251.18001	2.8
257.18985	9.4
259.20581	21.4
271.20572	2.0
273.18567	2.3
275.20093	40.2
277.21603	3.9
279.16064	2.9
279.21036	1.9
283.20587	2.9
293.21362	4.9
299.23651	3.2
307.20773	1.9
311.20331	2.1
311.23657	4.1
315.23331	4.8
321.22202	2.3
325.25171	3.1
327.23444	2.2
331.22592	2.3
333.24231	17.8
337.25363	3.0
339.23032	2.5
341.24713	2.3
349.23740	28.4
355.26559	2.4
417.31686	2.7
419.33215	5.3
421.31293	2.6
435.32678	10.7
437.34244	25.5
453.34525	2.5
455.34848	3.8
456.00555	2.0
491.35263	3.3
493.36716	3.3
501.35577	4.6
505.40448	4.4
509.36447	5.5
511.38031	17.4
513.35931	9.2
515.38715	6.8
527.37280	13.2
529.38770	9.2
533.39862	12.5
551.40778	9.3
555.36786	6.6
556.37537	6.2
589.42596	3.6
597.45074	2.8
607.43567	63.1
608.43439	3.2
625.29254	3.2
625.44629	100.0
626.44830	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01874	25.2
55.05511	26.3
57.03438	10.1
57.07068	3.9
59.86649	1.7
60.45663	1.7
65.03921	5.0
67.05502	61.0
67.63236	1.5
69.03422	3.4
69.07067	66.5
69.35729	1.7
71.04974	4.2
71.08617	2.6
77.03941	1.7
79.05068	2.9
79.05492	44.9
81.03411	5.8
81.07053	61.3
83.04969	9.1
83.08620	12.3
85.06533	4.6
91.05479	51.3
93.07044	45.7
95.01353	3.5
95.04969	12.0
95.08605	46.2
96.08140	2.6
97.05928	1.9
97.06528	30.2
97.08440	1.5
97.10166	5.1
99.08102	4.1
105.04540	2.1
105.07028	49.1
107.04965	10.3
107.08591	29.3
109.06519	5.5
109.10149	15.8
111.08067	3.0
111.93983	1.6
112.09267	1.6
115.05423	5.0
115.24567	1.6
117.07012	25.1
119.04964	1.6
119.08582	38.2
121.06525	2.6
121.10121	16.0
123.08047	5.3
123.11697	6.1
125.09628	6.6
128.06210	2.5
129.06999	21.3
130.07684	2.3
131.08563	40.3
133.10123	35.2
135.08051	4.1
135.11723	13.4
137.09615	4.6
139.11169	2.1
141.06955	4.8
142.07803	5.9
143.08554	23.1
145.06451	3.9
145.10127	27.5
147.08060	3.2
147.11676	20.3
149.09598	6.6
149.13220	4.9
151.11160	1.8
153.12692	1.8
155.08543	13.9
156.09370	2.0
157.10117	24.6
159.08005	2.1
159.11691	28.7
161.09576	3.1
161.13235	15.2
163.11188	5.3
165.07007	2.3
167.08531	6.5
168.09279	2.5
169.10149	14.5
171.10243	3.7
171.11647	20.6
173.09651	2.6
173.13300	14.5
175.14836	6.3
177.12747	2.7
179.08464	4.0
179.14304	5.8
181.10103	7.3
183.11685	16.8
185.09634	2.2
185.13246	16.0
187.11220	5.1
187.14841	6.4
193.10109	4.5
195.11749	12.1
197.13214	13.4
199.14786	12.7
201.12694	1.7
201.16330	2.6
207.11668	3.3
209.13191	8.3
211.14790	7.2
212.11911	1.9
213.16284	5.7
215.14366	2.4
215.18068	2.0
219.11687	2.7
221.13249	5.3
223.14784	4.9
225.16423	3.0
227.18063	2.7
235.14809	2.4
237.16391	4.5
239.18004	5.2
241.19508	13.1
247.20465	1.8
249.16360	3.0
257.19058	5.7
259.20609	17.0
260.07071	3.7
261.22397	2.0
263.17972	2.2
271.20569	2.4
273.18491	4.5
275.09424	4.7
275.20099	30.4
275.22855	3.3
276.06674	2.6
277.21588	2.8
285.22305	2.0
293.21344	4.6
295.20648	2.4
299.23810	2.2
304.09814	4.8
311.23715	2.1
315.23154	3.6
325.25125	1.9
333.24261	11.6
339.23260	3.0
349.23724	19.6
353.24545	2.0
355.26486	3.2
373.48245	2.2
409.30963	3.0
419.32990	2.9
433.20657	3.1
435.32480	5.5
437.19687	2.3
437.34149	13.8
449.15994	3.1
451.21323	3.3
453.33517	2.4
463.17554	4.1
464.18549	2.3
477.18961	2.2
478.20023	7.9
479.20764	7.0
509.36295	4.8
511.37921	11.1
513.35803	11.5
515.38745	6.3
527.37164	7.2
529.38910	6.0
533.39862	11.2
551.40887	8.3
555.37183	2.4
565.24500	21.4
566.24695	5.1
569.41376	2.1
589.42206	3.5
597.45361	4.2
607.43555	50.5
625.27148	59.1
625.44464	100.0
626.27338	13.3
626.44690	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01871	4.8
55.05507	19.3
57.03425	2.8
57.07070	2.3
61.11774	0.6
63.77390	0.6
64.26011	0.6
65.03942	1.4
67.05499	25.7
69.03423	1.8
69.07064	9.8
70.99588	1.9
71.04987	2.0
79.05487	18.3
80.05821	0.7
81.03411	3.8
81.07053	22.4
83.04977	2.9
83.08612	8.8
85.06535	2.6
91.04903	0.7
91.05471	16.8
93.07037	17.8
95.04982	5.2
95.08597	14.6
97.06482	4.0
97.10162	10.5
97.96002	0.7
98.98462	11.1
99.08086	1.0
101.07161	1.1
103.05471	1.3
105.07023	15.8
107.04957	3.3
107.08590	13.4
109.06528	2.2
109.10155	12.0
111.08083	2.0
115.05437	1.1
117.07001	8.7
119.04899	0.8
119.08580	14.1
121.06527	2.6
121.10125	5.4
123.08073	2.9
123.11694	2.6
125.09612	8.6
129.06984	7.0
131.08554	15.0
133.06467	2.1
133.10115	6.3
135.08034	3.4
135.11700	3.1
137.09622	1.1
141.06990	2.9
142.07777	1.7
143.08569	7.2
145.06503	2.6
145.10107	9.4
147.08020	2.1
147.11687	6.4
149.09615	3.0
149.13261	1.4
151.11223	1.3
153.09117	4.0
155.01060	3.2
155.08530	4.4
157.10124	6.4
159.08067	2.6
159.11673	6.0
161.09610	1.2
161.13283	3.8
163.11169	1.6
163.14822	0.9
167.08615	1.8
169.10106	5.5
171.08005	1.4
171.10336	1.2
171.11647	5.4
173.02068	1.2
173.09662	1.7
173.11794	1.5
173.13248	4.0
175.11163	1.5
175.14842	2.9
179.08510	1.0
181.10126	2.2
183.08003	0.9
183.11720	3.5
185.09561	1.3
185.13158	3.4
187.11276	0.8
187.14828	3.0
189.11215	3.5
189.12769	1.4
189.16389	1.6
193.10065	0.8
193.12219	1.4
195.11667	1.5
197.13275	3.5
199.11160	1.1
199.14822	3.1
201.12781	1.3
201.16397	2.1
202.28987	0.8
203.14445	0.9
209.13272	1.6
211.14890	2.1
213.12749	0.8
213.16446	1.4
215.14305	0.9
215.18040	1.4
221.13203	0.9
223.14859	2.1
225.16449	1.8
227.12784	3.1
235.14862	1.0
239.18036	1.1
243.17601	0.8
257.19025	0.9
261.22043	0.9
267.15823	1.1
271.16840	0.8
271.20316	0.7
272.57968	0.7
275.20145	1.9
277.31900	0.8
281.22757	1.0
283.24106	1.2
285.22162	2.6
299.23770	2.2
301.25241	10.5
303.23190	1.1
313.21167	0.7
319.26413	1.3
327.23120	1.1
333.89658	0.8
341.24728	2.4
355.26163	1.3
357.28030	1.7
359.25729	1.0
417.31543	1.9
435.32538	6.4
445.29657	0.9
453.33557	10.9
454.10007	0.8
455.25500	1.0
471.34610	9.6
473.34171	1.1
491.35779	0.9
499.37347	0.8
509.36197	8.1
513.35962	0.9
527.37292	100.0
528.37469	3.9
545.38171	2.0
593.23676	1.5
607.33984	5.3
607.43079	1.8
625.26300	1.5
625.34747	14.1
625.44604	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81078	1.4
53.03933	4.0
55.01865	12.9
55.05504	35.8
55.96892	1.3
57.03421	5.6
57.07066	4.6
59.05001	1.5
61.33379	1.3
62.39733	1.2
63.23360	1.2
65.03924	2.9
67.05499	59.0
69.03416	3.4
69.07063	27.4
71.04985	5.0
79.05486	35.4
81.03413	1.5
81.07050	50.2
83.04968	4.7
83.08603	18.3
85.06541	3.6
86.09708	1.4
91.04895	1.4
91.05470	37.3
93.07032	38.3
95.04959	8.3
95.08598	31.9
96.08129	8.2
97.06527	11.4
97.10167	14.2
98.20742	2.7
99.08091	2.4
103.05441	1.8
105.07017	34.5
105.07661	2.2
107.04943	3.6
107.08588	29.7
109.06512	3.1
109.10147	19.0
111.08058	3.6
115.05466	2.9
117.07018	18.0
119.08566	25.0
121.06550	2.1
121.10139	14.1
123.08057	2.8
123.11733	8.2
125.09612	11.5
128.06207	5.4
129.06995	20.6
131.08557	26.8
133.06523	1.7
133.10115	22.5
135.08073	2.0
135.11676	8.0
137.09593	2.6
141.06973	7.5
142.07777	4.8
143.08543	26.5
145.06502	3.4
145.10118	26.0
147.08018	2.5
147.11670	16.7
149.09631	6.6
149.13246	3.6
151.11105	2.1
153.07042	2.7
154.07784	2.4
155.08565	18.2
156.09338	3.4
157.10123	21.7
159.11665	18.9
161.09592	3.1
161.13248	6.6
163.11127	1.9
165.06967	2.1
165.12779	1.5
167.08528	6.4
168.09393	2.6
169.10118	19.1
170.10834	2.8
171.11655	20.6
173.09718	1.8
173.13173	9.6
175.13393	1.3
175.14864	4.1
179.08580	3.0
179.14328	1.9
181.10089	11.6
182.10867	2.0
183.11688	19.9
185.13239	14.2
187.13295	2.8
187.14828	5.4
189.11208	3.6
189.16481	1.6
193.10178	3.9
195.11671	10.5
197.13258	15.3
199.14789	8.4
201.16373	4.2
207.11699	3.6
209.13243	8.0
211.14772	11.2
213.16394	4.6
215.14333	1.7
215.17918	3.3
219.11783	1.5
221.13321	4.3
223.14847	6.2
225.16389	5.2
227.12726	8.1
227.17981	3.6
229.19534	1.5
233.13306	2.1
235.14838	2.6
237.16415	3.7
239.18002	5.6
241.19589	4.3
243.15945	2.4
249.16225	1.8
251.17995	3.0
253.19664	2.7
255.17581	2.0
257.18890	3.2
259.20630	4.8
265.19675	2.7
267.21109	2.2
269.19135	2.3
273.18503	2.4
273.22208	1.8
275.20230	10.4
279.21469	1.7
291.19788	2.2
295.20566	3.2
297.22186	3.2
309.22131	1.5
311.23596	2.5
313.21613	2.0
333.24344	4.1
341.24707	2.2
347.27466	1.5
349.23715	6.4
363.26669	2.2
365.28421	6.9
381.31754	2.7
383.29462	4.7
403.30069	2.4
421.31161	3.2
437.34558	1.8
439.32220	3.4
457.33356	1.8
495.34534	2.5
513.35675	16.4
515.38916	7.3
527.37311	2.7
533.39856	13.5
551.40710	5.5
555.37067	2.3
589.42072	3.3
593.69330	1.5
597.44293	1.7
607.43494	45.4
608.43457	2.8
625.44580	100.0
626.45007	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	625.1758
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.2
55.01885	0.2
55.05497	0.1
55.25186	0.1
57.03432	1.4
61.02924	0.8
64.68565	0.1
69.03427	0.7
69.50687	1.3
69.51024	0.3
70.24014	0.2
71.04992	9.3
73.02921	0.5
75.04452	0.4
81.03397	0.6
81.07037	0.2
83.04969	0.4
85.02901	12.6
87.04431	0.2
91.03931	0.4
91.59092	0.1
93.03354	0.2
94.49339	0.1
95.04945	0.4
97.02872	0.9
99.04443	0.3
109.02892	0.3
111.04426	0.2
113.87315	0.2
116.76228	0.1
121.02858	0.7
123.04428	0.8
124.01555	0.3
125.02353	0.5
127.03905	0.6
128.10696	0.2
129.05470	2.9
135.04327	0.2
137.02353	2.0
137.03365	0.2
139.03888	0.3
140.10683	0.2
141.05432	0.2
145.02798	0.2
145.04961	0.6
147.06464	0.8
149.02303	0.4
151.03899	0.7
163.03918	0.6
167.03406	3.0
179.03403	1.3
180.04102	0.2
187.07468	0.2
197.04462	0.5
200.04642	0.4
215.07037	1.1
227.06946	0.2
228.04123	0.3
233.08131	0.3
242.05658	0.2
243.06516	3.2
246.05231	0.2
257.04407	0.2
261.07523	0.4
271.06058	1.9
273.04059	0.3
274.04736	2.6
288.06332	0.7
299.05457	0.6
302.04202	2.0
317.06546	100.0
318.06894	2.8
359.07590	0.3
479.11639	0.3
617.03131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
50.66484	0.3
53.03929	0.4
55.01863	0.5
55.05487	0.8
57.03434	2.3
61.02908	0.5
65.16097	0.3
67.05482	0.8
69.03439	2.0
69.07045	0.4
70.06561	0.4
70.25070	0.6
70.25487	1.0
70.91642	0.3
71.04585	0.6
71.04989	11.1
73.02889	0.5
75.04488	0.4
79.05480	0.4
81.03416	1.0
81.07043	0.9
83.04964	1.0
83.08597	0.3
85.02902	17.6
85.06540	2.6
86.09688	0.5
86.81588	0.3
87.00877	0.3
87.04479	0.4
91.05460	0.3
92.02614	0.8
93.03394	0.7
93.07040	0.4
95.04961	0.3
95.08582	0.6
97.02901	1.7
97.38511	0.3
98.20889	0.3
99.04471	0.6
101.41007	0.3
104.12419	0.3
105.07018	0.5
107.08555	0.5
109.02864	0.7
119.08548	0.4
121.02856	0.9
126.03166	0.3
127.03916	0.9
129.05470	3.7
133.10068	0.4
135.11713	0.3
137.05957	0.4
139.03893	0.9
143.81944	0.3
145.04985	0.9
147.06494	1.1
151.03827	0.9
151.70633	0.3
153.01820	5.6
163.03889	0.8
165.01840	0.7
165.47491	0.3
182.15456	0.6
201.05508	0.6
203.03380	0.4
210.14784	0.5
217.05006	0.6
218.05708	0.5
228.04141	1.1
229.04987	1.9
245.04494	0.8
246.05190	1.1
256.03583	0.3
257.04425	1.8
260.03171	0.5
269.13034	0.4
273.03949	1.4
274.04678	4.0
284.03149	0.4
285.03961	4.0
302.04202	10.6
317.06549	100.0
318.06979	2.6
323.25809	0.5
341.26703	0.5
341.84717	0.3
463.12723	0.3
607.24969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.2
55.01869	4.5
55.05510	16.0
57.03428	4.6
57.07066	10.7
59.04987	4.5
62.08183	2.4
64.76920	2.2
67.05506	40.7
69.03426	19.6
69.07069	31.9
69.35707	28.4
70.06575	12.4
71.04980	12.6
79.05494	29.4
81.03414	16.1
81.06586	5.9
81.07058	100.0
83.04993	7.5
83.08620	8.5
84.08164	3.0
85.02911	32.6
85.06544	68.8
86.09705	4.8
87.00807	11.7
91.05479	24.4
93.07047	51.3
95.04961	13.3
95.08608	74.8
97.02881	12.0
97.06523	11.8
97.10150	7.1
98.20733	6.0
99.04440	5.3
99.08088	12.6
105.01862	5.2
105.07030	37.7
106.43797	2.8
107.04922	2.8
107.08596	53.6
109.02872	8.1
109.06533	6.3
109.10152	55.6
111.08078	10.2
111.11716	4.7
113.06021	2.4
113.09615	4.8
115.07560	6.3
115.08673	3.5
117.06976	4.4
119.04886	2.8
119.07800	3.7
119.08590	38.6
120.08107	13.6
121.10143	42.3
123.08054	2.7
123.11725	23.8
125.09596	13.0
127.03902	14.5
127.11169	3.0
129.44824	2.9
131.08563	13.4
133.10127	26.3
135.08047	3.1
135.11664	24.0
137.09601	6.5
137.13242	6.8
139.11189	5.7
141.47066	2.7
143.08609	3.0
143.10658	11.6
145.02896	2.5
145.04892	5.2
145.10124	15.5
147.04393	2.7
147.11678	32.4
149.13264	27.3
151.07439	2.6
151.11166	9.2
153.12735	7.4
155.10698	2.7
157.10081	8.5
159.11684	21.7
161.13274	14.9
162.42886	2.4
163.03918	20.3
163.11232	3.5
163.14841	6.8
165.12737	8.5
167.10696	4.2
169.12274	3.5
171.11673	8.5
173.13264	11.9
175.14839	8.9
177.16391	10.7
181.04948	3.6
185.13428	5.7
187.14813	9.3
189.16405	11.7
193.15857	4.7
199.14799	4.4
201.16438	6.3
203.18005	7.7
207.17542	2.7
211.16965	3.7
213.16374	9.7
217.19443	4.5
225.18433	7.1
227.18073	3.5
257.22650	3.2
269.12756	4.4
269.22559	11.3
275.23737	8.8
287.13849	3.4
287.23679	20.6
293.24677	19.1
301.07047	6.3
305.24725	39.8
311.25772	10.1
317.06543	13.2
323.25827	29.3
341.26859	16.6
359.27771	16.3
421.05377	6.1
454.77017	2.8
484.39612	2.6
625.30786	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	625.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
53.27195	1.5
55.01875	7.2
55.05506	11.9
57.03433	8.7
57.07074	13.1
59.04992	3.4
60.42535	1.3
61.02924	4.0
67.05500	37.0
69.03428	15.6
69.07066	19.3
70.06571	2.5
70.57117	4.7
70.92297	1.4
71.04987	7.8
73.02914	3.4
79.05485	18.9
80.14182	1.5
81.03400	12.1
81.06566	2.8
81.07052	62.7
83.04980	8.1
83.08602	5.9
85.02903	30.8
85.06538	100.0
87.00825	10.8
87.04477	2.0
91.04935	2.0
91.05469	17.7
93.07031	38.8
95.04967	8.8
95.08601	46.6
97.02884	13.8
97.06529	8.7
97.10135	4.9
99.04435	7.2
99.08092	9.1
101.05987	2.6
103.05431	2.4
105.01855	7.3
105.07021	26.8
105.21587	1.4
107.04930	2.0
107.08585	36.8
109.02854	9.5
109.06517	4.7
109.10147	37.8
111.08072	5.2
111.11693	3.9
113.09615	6.0
113.80916	1.4
116.37998	1.3
117.07024	3.6
119.04948	1.9
119.08571	30.4
121.06483	2.1
121.10143	29.2
123.08083	3.6
123.11699	12.6
125.09631	11.6
127.03911	15.4
129.05489	3.2
129.06946	2.7
131.08578	8.6
133.10115	27.5
135.08022	1.8
135.11685	29.6
137.05962	5.6
137.09630	6.2
137.13196	3.6
139.11154	7.3
142.07768	1.6
142.25311	1.5
143.08519	2.9
143.10652	4.9
145.04953	4.5
145.10130	12.5
147.04378	3.2
147.11679	17.3
149.09578	1.8
149.13263	16.6
151.11163	2.4
153.12781	3.3
155.10643	4.5
155.52785	1.6
157.10132	4.4
157.12253	8.0
159.02908	4.2
159.11650	14.9
161.13234	9.5
163.03932	2.2
163.11240	2.5
163.14813	6.0
165.12755	5.0
167.14256	2.0
171.11655	3.3
173.13252	7.4
175.14790	13.1
177.12688	2.0
177.16406	5.5
179.14290	1.6
181.12598	1.4
183.13731	2.3
185.13248	4.0
187.14853	9.0
189.16389	10.0
191.18063	1.6
193.15868	7.1
195.13786	4.0
197.13484	1.4
199.14830	3.8
201.16327	4.1
203.17937	5.6
205.15944	2.0
207.17482	1.8
209.15463	1.5
211.16901	16.8
213.16396	10.7
221.18938	2.4
227.12721	4.4
227.18036	1.8
229.17804	2.9
229.19778	2.2
231.04999	1.8
257.22540	2.3
269.12732	1.7
269.22607	12.3
275.23730	8.2
283.15366	6.3
287.23654	17.6
293.24741	11.9
301.16397	2.3
305.24765	26.0
311.25668	2.2
317.06631	9.5
323.25818	25.2
341.26840	17.9
359.27936	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	625.1756
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
53.03929	0.5
55.01863	0.9
57.03422	2.2
61.02914	1.7
67.05507	1.0
67.10085	0.4
67.24712	0.5
68.46791	0.4
69.03423	4.0
70.06573	1.3
70.51945	0.4
71.04978	1.3
71.65082	0.6
73.02916	8.6
79.05481	0.9
81.03410	1.0
85.02905	9.3
86.09711	0.5
87.04452	0.5
88.56171	0.4
91.05482	0.8
93.03397	0.7
97.02885	3.7
105.07003	0.8
107.04939	1.2
109.02828	0.7
115.03916	2.2
117.07011	0.4
121.02841	0.9
124.34080	0.4
125.02451	0.5
127.03903	1.8
129.05498	1.0
131.04880	0.5
133.04984	2.1
137.02377	0.5
137.05899	0.4
140.04642	0.8
145.04948	2.3
151.03877	1.0
153.05463	0.8
163.03900	2.0
165.05472	0.8
167.03394	8.3
167.07001	2.1
177.98738	0.5
179.03400	0.8
181.04953	2.3
187.97923	0.5
193.08630	0.6
215.07152	0.5
231.06531	0.7
242.05652	1.1
243.06563	2.6
259.05954	0.9
260.06747	1.0
271.05911	2.0
273.03967	0.9
279.10153	0.5
285.07437	0.5
287.05505	1.8
288.06302	4.0
299.05423	3.1
301.07159	0.6
316.05777	11.7
317.06546	16.5
331.08105	100.0
332.08475	2.9
416.14670	1.7
651.58594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1754
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.23420	0.1
53.03934	0.3
55.01860	0.2
55.05490	0.3
57.03434	1.6
58.53489	0.1
58.62778	0.1
59.05007	0.2
61.02919	0.7
63.23162	0.1
65.03928	0.2
67.05511	0.1
67.40077	0.1
69.03423	1.2
70.01169	0.6
70.06569	0.2
71.01324	0.1
71.04990	8.5
73.02908	0.3
74.07755	0.1
75.04461	0.4
79.05479	0.1
81.03419	0.7
81.07023	0.1
83.04966	0.5
83.25948	0.1
85.02900	11.5
86.09702	0.2
87.04444	0.2
91.03947	0.2
93.03366	0.2
93.85768	0.1
95.04943	0.4
95.08609	0.1
97.02894	1.3
99.04417	0.4
105.07045	0.2
107.08578	0.1
109.02890	0.7
111.04411	0.4
121.02878	0.7
123.04436	0.8
124.01578	0.3
125.02344	0.5
127.03896	0.8
129.05479	2.4
135.04364	0.1
137.02341	1.8
137.03365	0.1
137.05978	0.4
138.06332	0.2
139.03891	0.2
141.05470	0.2
145.02823	0.3
145.04933	0.5
147.06448	0.6
149.02339	0.4
151.03885	0.7
157.06473	0.1
163.03896	1.1
167.03378	3.1
167.04718	0.2
173.05859	0.1
173.52150	0.1
175.07538	0.3
176.07884	0.2
177.05476	0.2
179.03391	1.4
180.04204	0.3
181.05009	0.2
184.05107	0.2
187.07552	0.4
191.03384	0.2
191.07114	0.1
193.05005	0.1
193.08595	0.1
197.04456	0.5
197.06064	0.2
200.04614	0.3
205.08607	0.2
211.03925	0.1
215.07043	1.0
219.02841	0.1
227.07022	0.2
228.04227	0.3
233.08128	0.2
243.06512	2.8
256.03659	0.2
257.04309	0.1
261.07574	0.6
268.00369	0.1
271.05966	1.6
273.03986	0.4
274.04721	2.2
288.06229	0.6
299.05420	0.7
302.04211	2.4
317.06540	100.0
318.06882	3.0
318.10516	0.2
329.06479	0.2
359.07559	0.3
421.05478	0.2
463.12421	0.1
479.11652	0.2
625.22833	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	624.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
53.85340	0.8
55.01868	1.8
55.05510	4.7
56.05021	3.8
57.03426	1.4
57.07064	0.8
60.04519	1.2
61.02888	0.8
67.05502	18.3
68.05010	1.2
69.03422	5.8
69.07058	3.2
70.06577	3.1
71.04977	3.3
71.31844	1.9
79.05492	15.3
80.05019	2.8
81.03411	4.3
81.05788	1.9
81.07053	19.5
82.06564	3.7
82.27548	0.9
83.04997	1.2
83.08609	3.0
85.02895	8.1
85.06529	4.1
86.09734	1.2
87.04465	4.0
91.05482	7.6
93.07036	25.2
94.06010	1.4
94.06568	18.8
95.04976	4.8
95.08604	31.8
95.09229	1.6
96.08128	3.3
97.02903	3.3
97.06527	8.6
99.08060	1.2
102.05528	1.2
103.05492	1.6
104.41606	0.8
105.07025	13.7
107.04954	1.1
107.07328	3.9
107.08582	2.8
109.02903	1.0
109.10158	5.0
110.09676	10.2
111.04494	1.0
111.08076	14.4
111.67932	0.8
117.03362	1.3
119.08585	2.5
120.08126	1.0
121.10127	4.8
122.09663	37.1
123.08063	35.6
123.11700	2.0
127.03912	2.0
128.10709	27.2
129.07062	0.9
130.12306	1.1
133.10120	1.4
134.03661	1.2
135.04391	2.4
135.11693	3.9
137.05965	3.4
140.10695	100.0
141.09103	14.6
141.11015	1.2
142.12285	2.0
145.02840	2.8
145.04944	1.4
145.10039	0.9
147.87450	0.9
149.13303	1.1
157.10162	0.8
158.11743	7.5
159.11594	1.1
163.03893	15.5
167.06989	0.9
175.07568	1.9
175.14830	1.9
177.05453	4.6
189.09010	1.4
189.50294	0.8
191.08513	1.1
193.08510	1.3
205.19510	2.4
207.06493	0.9
207.10127	1.6
215.10629	1.5
219.10141	2.1
223.20592	1.4
233.11598	1.3
233.15233	0.9
250.21681	1.2
251.25368	0.8
268.22711	3.8
273.03946	2.5
286.04645	1.2
286.23672	4.8
294.24261	1.7
301.03680	0.9
301.07043	21.5
312.25424	1.9
317.06631	2.5
360.28879	1.2
372.28876	1.7
378.30008	5.8
390.29962	9.7
408.31070	67.2
409.31448	1.9
421.05441	1.5
426.32132	55.7
444.33182	7.2
473.01846	0.9
510.28241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01860	1.7
55.05500	4.9
56.05019	4.0
57.03415	1.8
60.04527	1.3
67.05505	17.9
69.03413	4.5
69.07056	3.0
70.06576	1.4
71.04988	5.5
71.37816	2.0
79.05489	13.9
80.05008	2.2
81.03396	3.3
81.07051	19.4
82.06554	3.7
83.08617	3.7
85.02912	6.0
85.06520	2.5
87.04443	2.3
91.05467	5.8
93.07040	22.8
94.06570	19.8
95.04952	3.1
95.08602	32.4
96.08124	3.1
96.59436	1.0
97.02885	2.3
97.06532	7.2
105.07025	15.4
107.07338	2.8
107.08568	2.6
108.19443	0.9
109.06481	1.7
109.10175	5.0
110.09673	9.9
111.08074	15.5
119.08545	1.3
120.08114	1.3
121.10144	3.5
122.09667	35.0
123.08067	33.4
123.11692	3.4
125.09547	1.1
128.10712	30.1
130.76709	1.1
131.08530	1.2
133.10066	1.6
135.11696	3.7
136.08327	1.2
137.05960	3.1
140.10698	100.0
141.09103	17.0
142.12204	1.4
147.11624	1.4
149.13264	1.5
158.11754	8.1
163.03865	6.3
175.14879	1.6
177.05467	2.2
181.04968	1.0
189.09088	1.4
193.15793	1.3
205.19501	3.1
214.95654	1.0
219.10152	2.6
223.20593	2.5
226.50929	1.0
242.08086	1.0
268.22714	4.7
273.04041	1.7
286.23767	3.8
294.24481	1.1
301.07068	10.8
312.25226	1.5
317.06384	3.2
360.28830	1.6
372.28772	1.6
378.30011	6.5
390.30011	7.5
396.31073	1.4
408.31076	65.7
421.05563	2.0
426.32138	52.3
427.32184	1.3
444.33591	5.6
465.37320	1.1
469.90790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
53.29419	0.6
55.05490	1.4
61.02909	1.0
62.25242	0.6
64.13618	0.6
65.03931	0.9
67.05482	2.6
68.80553	0.6
69.03431	6.4
69.07050	0.9
69.50286	6.4
79.05472	1.9
81.07031	2.4
83.04980	1.8
85.02908	9.3
91.05460	5.0
93.07040	4.2
95.04954	7.4
95.08592	2.9
97.02895	2.2
97.06526	1.4
99.04462	1.3
105.07022	7.4
107.08588	2.8
109.06493	4.7
109.10150	1.3
111.04424	4.6
111.08052	1.4
113.06005	2.4
116.86115	0.7
117.07005	2.1
119.08578	9.8
121.02859	1.2
121.06503	6.6
121.10122	2.5
123.04392	0.7
123.08047	5.2
127.03879	1.5
128.06252	0.9
129.06924	1.0
131.08563	5.3
133.06488	1.4
133.10091	2.3
135.04402	0.6
135.08054	11.5
137.09624	2.5
137.96725	0.6
139.03902	1.3
139.07529	1.4
141.07002	1.1
142.07768	1.1
143.08559	2.9
144.09340	1.2
145.04944	2.4
145.06441	1.5
145.10115	4.8
147.08034	5.9
147.11678	2.0
148.69894	0.8
149.09608	2.5
151.90659	0.7
156.09352	1.2
157.10172	3.6
158.07237	1.7
159.08049	5.5
159.11693	4.6
161.09602	7.3
163.03871	1.6
163.07487	0.7
165.09151	5.1
167.08649	0.7
168.09360	1.1
169.10101	0.6
171.11711	2.9
172.08800	2.9
173.09702	3.3
173.13313	3.2
175.07574	9.8
175.11165	5.5
183.11699	2.1
185.09637	0.9
187.11162	6.0
189.09109	3.0
189.12749	2.3
193.08604	2.1
195.25468	0.8
196.08791	1.4
199.11159	5.5
201.12746	5.1
203.10626	7.1
205.12207	1.6
211.11217	4.8
217.12292	4.8
219.13765	1.0
229.12260	5.5
235.13304	1.4
247.13295	21.8
265.14343	100.0
266.14703	1.8
281.90265	0.7
437.76645	0.7
535.98859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01863	6.4
55.05509	32.3
57.03426	5.4
57.07061	4.1
65.03923	3.6
67.05499	40.6
69.03415	3.5
69.07059	16.0
69.85349	8.1
71.04981	3.5
71.27996	1.3
76.20766	1.1
77.00362	1.1
79.05486	35.6
81.03417	12.1
81.07054	38.0
83.04955	5.5
83.08616	13.4
85.06507	1.9
90.70023	1.1
91.04958	2.3
91.05482	30.7
93.07034	27.7
93.07613	1.4
95.04957	7.5
95.08603	23.7
97.06532	5.4
97.10162	17.2
98.20743	1.4
103.05473	2.7
104.06245	1.4
105.07022	28.7
107.04941	5.8
107.08589	20.3
109.06526	6.4
109.10148	16.0
111.08102	3.3
115.05484	4.7
117.07026	16.6
119.08572	19.2
121.06526	3.7
121.10166	11.1
123.08076	3.4
123.11703	3.3
125.09626	16.5
128.06207	4.5
129.06982	14.4
131.08549	18.9
133.06435	2.9
133.10118	16.6
135.08028	5.6
135.11688	6.0
137.09569	1.5
141.06955	9.3
142.07791	4.6
143.08546	15.4
145.06537	2.4
145.10106	14.4
147.08066	3.2
147.11691	7.4
149.09660	2.7
149.13235	3.0
151.11124	1.3
153.06979	2.0
154.07780	4.1
155.08536	16.2
156.09386	2.1
157.06558	1.5
157.10097	12.8
159.08081	2.9
159.11684	11.9
161.06030	2.5
161.09612	2.4
161.13254	2.5
163.11156	2.4
165.07031	2.6
166.07765	2.2
166.27502	1.3
167.08554	7.8
168.09361	2.1
169.10127	14.3
171.08043	2.3
171.11685	13.5
173.06107	2.7
173.09618	3.4
173.11891	1.7
173.13251	7.3
173.81592	1.2
175.11263	1.4
175.14799	2.7
177.12810	1.6
179.08618	4.4
180.09370	1.4
181.10118	9.2
182.10962	1.2
183.11711	16.9
185.09630	2.3
185.13222	8.7
187.11241	1.7
187.14859	2.5
189.11230	8.0
189.12714	2.0
191.08669	1.4
191.14392	1.4
192.09338	2.0
193.10159	4.4
195.11656	9.7
197.09660	2.4
197.13219	9.0
199.14847	3.5
201.16435	2.2
207.11792	5.5
209.13263	7.4
211.14853	5.8
213.12823	1.3
213.16501	3.8
215.17958	1.5
219.11787	1.7
221.13301	2.4
222.14076	1.5
223.14948	5.5
225.12794	1.2
225.16400	4.8
227.12730	12.0
227.14508	1.4
227.18002	2.3
227.61479	1.2
233.13335	2.6
235.14813	4.2
237.16443	3.4
239.14407	2.8
239.18002	4.7
241.19386	1.7
249.16357	3.6
251.17998	3.5
253.15970	1.5
253.19588	2.1
257.19009	4.2
259.20734	4.2
263.18008	2.1
265.19604	2.7
267.21179	1.6
271.13562	2.6
273.18604	2.0
275.20157	5.4
291.19485	9.0
297.22324	1.6
299.20142	1.7
299.23560	1.3
309.22073	2.1
321.22220	1.3
335.26114	1.3
351.23334	2.6
363.26782	2.0
376.17105	1.6
377.28442	1.7
379.29907	11.1
379.33499	1.2
391.19138	2.9
392.20218	1.9
401.17361	1.7
413.17719	1.7
415.19266	3.5
419.18481	1.9
429.21204	2.1
435.21667	2.6
437.30637	1.9
443.18237	1.8
446.21365	1.3
447.18027	2.1
461.19632	2.6
469.33139	1.8
471.21884	4.0
473.19565	1.8
476.18344	1.4
485.19403	1.4
489.23181	2.1
491.20956	2.9
499.21277	8.2
500.20645	1.6
501.22598	3.0
503.20685	2.5
508.23889	1.7
513.37231	4.0
517.22260	5.1
518.22900	1.9
525.36035	8.0
529.22308	6.7
531.38214	7.6
545.21759	25.0
546.22095	4.5
549.39319	4.3
553.34894	2.0
554.35828	3.1
563.25555	2.0
567.40552	2.6
573.21429	9.4
605.23932	54.9
605.41669	17.9
606.24182	8.2
623.25507	36.7
623.43054	100.0
624.25269	6.7
624.43781	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.92470	0.3
64.90035	0.3
67.05493	2.1
67.52264	0.3
69.07063	0.5
69.38326	3.9
79.05491	1.2
81.03465	0.5
81.07050	1.8
83.08635	0.5
91.05473	1.9
93.07063	1.8
93.44386	0.4
95.04958	0.5
95.08616	1.6
97.10193	0.4
102.82307	0.3
105.07047	1.4
107.04971	0.4
107.08576	0.9
109.10149	0.6
117.07002	0.8
119.08599	1.6
121.10180	0.5
129.07034	0.4
129.49214	0.4
131.08583	0.7
133.10124	0.7
135.08099	0.4
145.10117	0.8
159.08054	0.5
172.01016	0.4
173.09549	0.5
181.09923	0.4
225.10280	0.4
237.10251	0.6
249.10402	0.4
251.11732	0.4
271.17014	0.9
275.20139	1.1
299.91214	0.3
300.14999	0.4
318.68246	0.4
324.14728	0.4
337.11917	0.5
352.14658	0.5
368.17615	0.6
377.17834	0.8
389.18024	0.7
390.18521	0.8
391.19263	1.4
392.20108	0.5
401.17688	0.6
402.18237	0.5
403.19360	1.2
404.20157	1.1
405.16510	0.7
405.21463	1.9
406.21509	1.2
407.22552	0.6
415.19620	0.5
416.20163	0.5
417.17007	1.6
417.21625	0.6
418.17374	0.9
418.22272	0.5
419.18484	2.5
419.22501	2.2
420.19269	1.1
421.24301	2.1
429.16541	0.5
430.17627	0.5
431.18710	1.6
431.23251	0.7
432.19540	1.5
433.19946	3.9
434.21179	1.5
435.21960	1.2
443.18344	0.6
444.19849	0.8
445.20200	2.7
446.20944	1.5
447.17188	1.0
447.22705	3.1
448.22614	1.3
449.23434	5.3
457.20413	0.8
458.21204	1.7
459.21936	3.6
460.22757	0.8
461.19827	2.3
462.20313	0.6
463.20966	2.1
475.21335	1.5
476.21954	4.1
477.22742	4.5
489.23096	2.6
490.23456	0.7
503.24899	1.8
507.24088	0.4
519.24109	0.5
521.21844	1.0
531.23639	0.8
533.25616	3.0
535.27301	3.3
545.25244	2.0
547.26862	1.0
563.26532	16.6
564.26990	0.7
591.26013	1.5
595.29181	0.7
605.27765	3.3
606.28424	3.9
623.28619	100.0
624.28796	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03941	6.2
55.01864	9.5
55.05510	20.8
57.03433	19.0
57.07069	2.5
60.96711	1.0
65.03934	7.0
66.70316	1.1
67.05501	81.5
69.03414	3.7
69.07063	19.3
71.04981	4.1
71.64796	1.6
78.80303	1.1
79.05488	51.3
79.05958	2.7
81.03419	12.5
81.06570	2.5
81.07052	51.7
83.04967	3.6
83.08617	10.7
85.06529	11.2
91.05476	61.1
93.06457	2.9
93.07037	47.9
95.01324	2.3
95.04964	68.6
95.08603	41.5
95.17551	1.2
97.06528	8.8
97.10157	3.4
99.08097	2.1
99.92614	1.2
103.05460	2.8
105.04488	1.9
105.07027	55.3
107.04956	17.6
107.08589	24.9
109.06509	43.0
109.10152	11.0
111.08083	4.6
113.05996	23.7
113.09614	1.4
115.05453	2.7
117.07012	29.6
119.04965	1.5
119.08571	32.9
121.06501	7.2
121.10120	14.1
123.04446	1.2
123.08072	8.6
123.11711	2.3
124.05122	1.2
125.09625	3.7
127.25418	1.4
128.06194	7.8
129.06984	17.9
130.07800	4.8
130.91678	1.2
131.04977	2.2
131.08559	38.0
133.06487	5.4
133.10120	26.4
135.08047	22.1
135.11659	11.1
137.09650	2.4
141.06975	8.5
142.07750	5.0
143.08557	21.7
143.50865	1.2
145.06468	6.4
145.10120	27.1
147.07997	7.7
147.11685	14.2
149.09648	4.4
149.13243	7.2
151.11110	1.2
155.08557	8.1
155.10619	1.4
156.09357	2.0
157.10123	15.5
159.08083	4.6
159.11679	19.0
161.06087	1.3
161.09624	8.6
161.13242	6.8
163.11188	5.8
166.07758	1.6
167.08607	5.3
168.09419	1.6
169.10138	11.7
170.10924	1.4
171.08118	1.7
171.11682	13.4
173.09601	3.0
173.13235	9.7
175.11226	3.2
175.14804	4.3
177.12770	5.2
179.08560	3.2
179.14339	1.5
181.10103	6.8
182.10864	2.0
183.11696	9.9
185.09644	2.6
185.13219	9.1
187.11211	7.2
187.14857	5.4
189.12755	3.0
189.16380	1.5
193.10155	3.0
195.11726	8.0
195.13609	1.7
197.09683	1.7
197.13307	5.9
199.11189	2.4
199.14726	5.7
201.12717	2.1
201.16391	2.4
205.12302	1.5
206.10971	1.9
207.11731	5.1
209.13295	5.5
211.14867	3.8
213.12744	1.8
213.16402	2.6
215.17944	1.4
217.15831	6.2
217.19609	1.4
219.11742	1.5
221.13324	3.0
223.14890	4.5
225.12807	2.1
225.16380	1.5
227.18098	1.8
231.11743	1.5
235.14854	2.8
237.16377	3.6
239.14194	1.6
239.18156	1.6
241.14317	2.8
241.19553	4.5
245.19031	1.6
255.17392	3.6
257.19049	6.2
259.20618	9.0
264.02438	1.3
265.19418	1.3
271.20465	1.9
271.55096	1.3
273.18484	24.9
275.20093	6.3
279.15799	8.1
283.20279	1.5
291.19534	33.5
315.23318	6.2
325.25388	1.6
327.26846	5.5
333.24252	7.1
347.22177	9.9
349.23804	2.0
365.23349	2.6
375.07324	1.2
418.18094	1.7
433.31351	1.7
513.36969	5.1
525.35382	1.8
531.38470	6.0
549.39319	5.4
551.37311	2.3
565.38989	1.8
567.40125	3.7
595.43457	2.0
605.41931	20.4
623.27332	4.1
623.42999	100.0
624.43347	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05506	2.6
57.03441	0.4
57.07082	0.3
67.05505	3.5
69.07067	1.9
69.35631	3.2
71.86265	0.3
77.31355	0.3
79.05495	3.1
81.03413	0.5
81.07047	3.2
83.05003	0.6
83.08617	0.7
89.14755	0.3
91.05474	2.1
93.07027	2.8
95.04958	0.4
95.08603	1.7
97.06532	1.1
97.10182	0.9
103.05428	0.3
104.16651	0.3
105.07024	3.0
107.04945	0.3
107.08569	1.4
109.06526	0.4
109.10155	0.7
117.07023	1.4
119.08553	1.8
121.10138	0.9
123.11716	0.4
125.09653	0.9
128.06288	0.4
129.07016	1.1
131.08583	1.9
133.10147	1.4
135.08092	0.4
138.10707	0.3
141.07008	0.7
142.07736	0.3
143.08577	1.3
145.10081	1.4
147.11751	0.7
149.09576	0.4
155.08589	0.7
157.10138	1.0
159.11694	1.2
163.11093	0.4
167.08565	0.5
169.10162	0.9
171.11632	0.5
173.13268	0.5
179.14401	0.3
181.10098	0.6
183.11714	1.0
185.13304	0.5
189.11227	0.7
209.11029	0.3
209.13245	0.5
211.14748	0.5
239.17981	0.4
247.12453	0.3
257.19006	0.6
275.19980	1.5
291.19781	0.6
379.30341	0.4
382.46024	0.3
387.16299	0.5
388.16840	0.4
389.17661	1.0
390.18463	0.7
391.19278	0.9
401.17801	0.6
402.18695	1.0
403.19601	2.0
404.20120	1.3
405.20755	1.3
415.19202	1.3
416.15430	0.4
416.20078	1.3
417.17041	1.9
417.20975	1.8
418.17416	0.6
418.22168	0.6
419.22403	4.3
428.16559	0.4
429.16296	0.4
429.21353	0.7
430.17191	0.6
431.18655	3.4
431.22821	2.2
432.19037	1.7
433.20337	2.3
435.21841	0.7
443.18515	2.9
444.19196	1.5
445.20117	8.7
445.25476	0.5
446.21011	4.9
447.22073	5.9
449.23792	1.7
457.20245	1.3
458.20993	0.7
459.22003	3.4
460.22925	0.6
461.19531	1.0
462.20126	1.7
463.20920	2.4
473.23380	1.1
475.20834	1.9
476.21985	5.3
477.22876	5.6
489.23212	2.0
490.24078	0.7
491.20578	0.5
501.23215	0.6
503.24783	0.6
505.21487	0.6
505.26324	0.5
508.24646	0.5
513.37170	0.4
517.22388	0.4
519.24280	0.5
521.21643	1.5
525.35883	0.9
531.23755	0.5
531.38965	0.4
532.24866	0.4
533.25452	14.9
535.24017	0.5
545.25372	1.1
561.25171	0.6
563.26556	17.0
564.26740	0.5
590.25665	0.4
591.25897	0.5
593.27618	4.9
605.27649	0.9
605.41718	0.5
623.28607	100.0
623.42914	4.0
624.28668	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30526	0.3
52.82900	0.3
55.05507	0.7
67.05501	1.7
69.07070	0.3
71.25219	0.6
79.05489	1.3
81.07050	0.9
88.12520	0.3
91.05480	1.3
93.07037	1.0
95.04972	0.5
95.08608	1.3
97.06538	0.4
97.10159	0.5
105.07021	1.1
107.08582	0.6
109.10106	0.5
117.07067	0.9
119.08588	0.8
121.10135	0.3
131.08572	0.7
133.10074	0.7
135.08002	0.3
135.11642	0.3
141.07014	0.3
143.08620	0.4
145.06447	0.3
145.10114	0.5
149.09598	0.4
157.10091	0.4
165.35847	0.3
189.11183	0.5
195.09064	0.3
209.10928	0.5
237.10318	0.3
271.17068	0.8
305.02820	0.3
324.42856	0.3
328.13959	0.3
374.15384	0.5
375.16202	0.8
377.17563	0.5
381.67670	0.3
387.16470	0.4
388.17065	0.5
389.17651	3.1
390.18246	1.4
391.19217	3.2
393.20648	0.4
401.17377	0.5
402.18826	0.5
403.15344	0.4
403.19476	2.7
404.20096	1.9
405.20786	8.9
406.21555	1.1
415.19315	0.8
416.20007	1.0
417.16483	6.4
417.21017	1.7
418.17480	3.1
419.18335	3.5
431.18152	5.8
431.23523	0.6
432.19296	7.1
433.20114	10.2
434.20941	0.6
435.21674	0.5
444.19516	0.6
445.20483	2.9
446.21021	1.0
449.23590	1.3
459.21906	1.4
461.19168	2.5
462.20288	1.4
463.21274	2.1
464.22330	0.6
465.22714	0.4
475.21478	1.1
476.22028	4.6
477.23596	4.4
478.23560	0.6
487.21329	1.0
489.22864	1.6
490.23764	0.5
491.24878	1.7
503.24475	1.0
504.21616	0.5
505.22244	0.8
519.23932	23.1
520.24506	1.0
521.21667	1.1
545.24542	0.5
547.23767	0.5
548.24219	0.5
551.26965	0.6
563.26489	13.5
564.27216	0.7
579.26025	4.9
580.25818	0.3
589.39233	0.3
591.25397	0.3
605.43024	0.4
623.28619	100.0
624.28857	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62711	0.2
60.08648	0.2
67.05508	0.4
69.44998	2.0
79.05475	0.2
81.07061	0.4
91.05489	0.3
105.06988	0.3
109.10152	0.2
119.08639	0.3
131.08521	0.2
185.71835	0.2
209.10735	0.4
213.13702	0.2
223.12267	0.4
226.01677	0.2
237.13956	0.3
239.15341	0.2
277.99225	0.2
322.33948	0.2
352.14059	0.2
358.44034	0.2
375.16174	0.3
377.17935	0.3
387.16467	0.4
388.16739	0.6
389.17645	1.0
390.18817	0.4
391.19025	1.5
392.19968	0.5
393.20947	0.4
400.16922	0.3
401.17929	1.0
402.18454	0.5
403.19385	1.7
404.20126	0.6
405.21005	1.8
406.21432	0.5
407.22543	1.0
415.19791	0.9
416.20126	0.8
417.16843	0.8
417.21658	1.6
418.17877	0.8
418.22415	0.4
419.17606	0.3
419.22784	3.1
420.23315	1.1
421.24048	0.3
428.15973	0.3
429.17007	0.9
429.21490	0.6
430.16925	1.5
430.22610	0.5
431.17853	2.5
431.23068	1.0
432.18460	1.2
432.23947	0.6
433.20160	6.2
433.25296	0.4
434.20898	0.8
435.21899	0.6
443.18079	1.6
444.18893	2.1
445.19952	4.4
446.21054	3.0
447.21979	4.6
448.22885	0.9
449.23651	0.4
457.20148	0.4
458.20911	6.6
459.21710	4.7
459.27206	0.3
460.22629	4.2
461.19598	0.8
461.24521	0.4
462.20615	0.6
463.21295	1.6
465.22519	0.3
471.22119	0.4
472.22623	0.5
473.23450	1.3
475.20959	1.3
476.21951	1.5
477.22678	1.6
479.24420	0.4
485.23795	0.5
486.24417	0.4
487.25073	0.6
489.18982	0.8
490.24185	0.4
491.24432	0.5
492.25183	0.3
503.24332	0.7
504.25067	0.7
505.21487	0.4
505.26065	0.7
517.22662	0.9
518.23047	4.8
519.23688	0.6
521.21466	1.2
530.23248	0.7
531.23962	1.0
532.24731	0.6
533.25513	8.3
534.25800	0.7
535.27716	1.6
545.25342	3.1
546.26208	1.1
553.49475	0.2
563.26477	5.9
564.26831	0.5
573.24725	1.1
577.27704	0.7
590.25494	0.5
591.25824	0.7
605.27594	10.7
606.27832	0.6
620.24286	0.2
623.28613	100.0
624.28986	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05502	0.5
67.05502	0.7
69.07073	0.3
69.43532	2.2
75.38669	0.2
77.07115	0.2
77.27293	0.2
77.75259	0.2
79.05495	0.6
81.07062	0.7
83.08611	0.3
91.05487	0.5
93.07047	0.6
95.04971	0.3
95.08559	0.4
98.20736	0.4
105.07013	0.6
107.08577	0.3
117.07083	0.4
119.08600	0.5
146.06000	0.2
157.10233	0.3
171.09114	0.3
180.10234	0.3
183.09196	0.3
197.10722	0.4
204.06473	0.4
209.10780	0.4
220.10078	0.3
221.10789	0.3
223.12483	0.4
225.13884	0.4
235.12375	0.3
237.10248	0.4
249.10281	0.3
250.10986	0.3
265.13565	0.3
277.09824	0.4
283.14377	0.3
312.15051	0.4
312.56781	0.2
314.13004	0.3
326.16803	0.4
328.14514	0.6
338.12531	0.3
354.16122	0.5
368.17545	0.3
375.16129	0.5
376.16373	0.3
377.17795	0.5
389.17526	1.2
390.18530	1.0
391.19321	1.9
392.20001	0.7
393.20670	0.5
394.21365	0.3
402.18518	0.7
403.14941	0.5
403.19833	1.2
404.16052	0.6
404.20261	0.8
405.16791	0.7
405.21402	1.8
406.21722	1.2
407.22421	0.8
415.19348	0.4
416.20142	0.6
417.17068	1.2
417.21039	1.0
418.17163	1.3
418.22641	0.4
419.18576	2.3
419.22610	1.8
420.18991	1.1
421.24374	1.9
429.16611	1.3
430.17252	0.4
430.22330	0.4
431.18723	1.4
431.23032	0.8
432.19305	1.3
433.19788	2.9
434.20764	1.3
435.21835	1.0
443.18436	0.5
444.19531	0.7
445.20313	2.7
445.29547	0.3
446.21078	1.8
447.17450	1.4
447.22888	3.1
448.22858	1.9
449.23395	5.3
450.24088	0.3
457.19916	0.4
458.21118	1.4
459.21838	3.1
460.22665	0.8
461.19812	2.4
462.20096	1.5
463.21027	2.1
465.95819	0.3
473.23474	0.5
474.20074	0.3
475.20624	1.6
476.22025	5.4
477.22769	4.2
478.23740	0.3
485.23459	0.3
489.23096	2.4
490.23526	0.7
493.22205	0.5
503.25064	1.1
504.25302	0.5
505.22412	0.5
506.23474	0.4
507.27609	0.3
508.24829	0.4
519.23950	0.9
521.21771	0.7
531.23260	0.3
533.25769	3.7
535.27612	3.5
545.25195	1.8
546.25763	0.3
547.27179	0.3
548.24200	0.3
563.26501	17.1
564.26880	0.8
591.26154	1.5
593.27594	0.4
595.29028	1.0
605.27655	2.9
606.28534	2.7
623.28625	100.0
624.29022	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05635	0.8
59.22189	0.7
59.46596	0.8
66.32465	0.9
69.41603	8.8
71.44700	0.8
81.07065	0.8
103.99035	0.7
104.05848	0.8
124.85001	0.8
127.49822	0.9
128.87886	0.9
132.95522	0.7
224.06221	0.8
329.27753	1.0
375.16104	1.8
377.96317	0.9
389.18076	1.2
390.18683	1.6
391.19232	2.9
400.17401	1.0
401.17691	1.2
402.18234	1.3
404.15979	0.9
404.20694	1.8
405.20789	6.4
406.21158	1.2
413.17972	1.2
414.18640	1.3
415.19315	3.1
416.20129	1.5
417.21103	1.5
418.17645	1.7
419.18634	2.6
419.23270	1.3
420.23132	2.2
421.23996	1.9
427.19168	1.2
428.19858	1.8
429.21057	5.1
430.21405	3.2
431.22699	1.1
433.19785	6.9
435.21851	1.3
443.22281	3.6
444.23227	2.5
445.19922	1.3
447.17609	8.7
448.22598	3.9
449.23611	1.5
457.24170	2.0
458.24664	1.2
459.21860	4.5
460.22903	4.9
461.19513	17.4
462.20227	1.6
463.21594	1.5
472.22675	2.2
473.23154	1.2
475.21613	2.8
476.22107	23.2
477.23056	3.2
479.20660	1.6
484.19635	1.0
485.23590	9.6
486.20230	1.8
487.25259	2.5
488.22147	1.9
489.23569	1.5
500.22324	0.9
503.24451	8.9
504.22391	0.8
513.22931	1.4
515.24506	5.3
519.23792	1.4
521.25500	4.9
531.23871	13.1
535.22778	1.0
536.23718	1.8
545.25464	7.8
549.25104	9.0
559.23517	6.3
563.26202	5.6
574.07910	1.0
591.26025	23.8
605.27411	1.7
623.28607	100.0
624.28918	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.9
69.33211	4.8
79.05473	0.6
81.08089	0.4
84.94228	0.4
91.05460	0.5
93.07050	0.7
98.21480	1.1
105.07001	0.6
107.08641	0.5
233.15262	0.6
235.12396	0.5
310.13101	0.5
314.65189	0.4
386.16425	0.4
389.17712	0.7
391.19250	0.5
399.15530	0.5
401.18088	0.6
402.18488	0.5
403.19455	0.7
404.20663	0.9
405.20685	0.9
410.05127	0.6
413.17859	0.8
414.18365	1.1
415.19196	2.4
416.20380	1.0
417.21158	0.8
418.17529	0.9
419.17896	0.7
419.22607	1.0
420.23511	0.5
427.19040	0.9
428.20038	1.1
429.20837	6.1
430.21759	1.2
431.18732	1.5
432.19318	1.3
433.19357	0.8
433.23965	1.5
434.21170	0.6
442.21591	0.7
443.22467	4.1
444.23645	3.1
445.19342	0.8
445.24280	1.3
446.20975	0.7
447.22375	2.1
448.22241	1.3
449.23306	2.1
456.19470	1.0
457.19269	0.9
457.24216	1.5
458.25192	3.3
459.21506	4.4
460.22739	2.6
461.19177	1.7
461.23672	2.4
462.20319	1.9
470.20947	0.8
471.21848	1.0
472.22498	5.0
473.23877	2.4
474.20694	0.6
475.21402	1.8
476.21918	2.8
477.22678	3.7
485.23376	6.8
486.24088	1.5
487.25113	4.4
489.22449	1.1
490.23209	0.5
503.24435	3.6
513.23126	0.6
517.26245	4.6
519.24084	1.1
520.24615	0.6
521.21942	1.0
531.23956	4.0
535.26044	1.4
545.25452	48.6
546.25903	2.4
562.25671	0.9
563.26160	15.9
577.28229	0.8
591.25397	1.0
605.27441	4.2
606.28711	0.5
623.28534	100.0
624.28961	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17880	0.7
65.79542	0.8
68.90264	0.6
69.39772	6.8
81.07050	1.1
95.08550	0.8
96.81364	0.7
109.10126	0.7
111.37263	0.7
136.74442	0.6
162.81943	0.7
187.21906	0.8
225.13718	0.7
389.18573	1.0
390.18771	1.0
391.19302	1.9
401.18045	0.9
404.20743	1.5
405.20819	5.0
406.21561	1.6
413.17947	1.1
414.18591	1.9
415.19235	3.2
417.21051	0.9
418.21854	1.0
419.17993	1.1
419.22824	1.7
420.22913	2.2
421.23743	2.8
427.19437	1.3
428.13657	0.8
428.20032	1.5
429.20712	5.0
430.21811	3.1
431.18625	1.5
433.19437	4.6
443.22574	1.2
444.23309	1.7
445.20053	4.3
446.21133	1.1
447.17868	2.4
447.22638	2.3
448.22375	2.2
456.19226	0.8
457.23755	3.1
459.21539	3.4
460.22928	5.0
461.19446	15.0
462.20215	1.3
470.21939	0.8
472.22891	2.1
473.19620	1.2
475.20511	3.6
476.21860	16.1
477.22147	1.6
485.23529	9.3
486.20758	3.1
488.22342	2.3
489.22922	2.3
492.25076	1.1
493.21909	0.9
500.22293	1.7
503.24402	11.0
504.21802	1.0
513.22345	1.4
515.24335	8.6
521.25500	12.2
531.24048	19.0
535.22894	1.7
536.23840	2.6
541.22681	1.1
545.25720	5.3
549.24951	14.1
550.25140	1.0
559.23419	8.7
563.26288	5.3
564.26654	2.3
591.26050	40.2
592.26489	1.5
623.28564	100.0
624.28558	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09872	0.4
57.80998	0.4
66.86248	0.5
69.49220	4.1
77.36421	0.4
108.03105	0.5
178.02536	0.5
237.13907	0.6
377.17709	0.7
378.18353	0.6
389.18387	0.6
390.18372	1.0
391.19077	2.3
392.20074	1.5
393.20657	1.2
400.17209	0.8
401.17886	1.0
403.19675	0.7
405.21088	2.4
406.21649	2.9
407.22321	9.3
413.17966	1.0
414.17892	0.8
415.19125	1.7
418.22067	0.9
419.22440	1.6
420.23138	1.7
421.23840	9.4
422.24539	3.1
427.19193	0.8
428.20108	0.8
429.20758	4.3
430.21634	0.8
431.18365	0.8
433.19989	0.9
433.24686	1.0
443.22693	2.9
444.23325	1.9
445.20236	1.7
447.17575	0.8
455.18817	0.6
457.24603	0.9
458.24652	2.1
459.22150	3.5
460.22684	2.3
461.18964	3.2
462.20471	1.8
463.20874	0.7
471.22464	0.7
472.22495	1.7
473.23413	1.6
474.20486	0.9
475.21167	6.1
476.21585	3.8
477.22559	3.5
478.23599	0.6
485.23645	5.6
486.20529	1.8
486.25113	0.6
487.21545	1.7
488.22073	1.7
489.23077	2.6
499.21390	5.9
500.22171	1.4
502.23517	0.8
503.24579	8.8
504.22110	1.0
505.22586	1.1
507.23178	0.7
508.28333	0.7
513.22815	2.4
514.23645	1.1
515.24609	1.4
517.25665	2.6
521.24817	0.6
529.25745	1.4
531.24646	0.8
535.27100	6.2
536.27765	0.6
545.25507	28.0
546.25665	1.0
562.25635	0.6
563.26886	1.4
564.27301	1.6
573.25116	7.6
577.28094	1.5
591.26062	3.3
605.27551	16.3
606.28149	0.9
623.28619	100.0
624.28973	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20705	0.4
69.46745	3.5
69.47164	1.0
94.11386	0.4
126.18607	0.4
132.57703	0.4
221.10608	0.5
225.09947	0.5
237.13812	0.7
238.42279	0.5
238.77718	0.5
376.16910	0.8
377.17776	1.7
378.18372	1.0
385.14789	0.5
388.18088	0.7
389.18155	1.3
390.18536	0.8
391.19208	4.5
392.20001	2.5
393.20450	0.9
399.16010	0.9
400.16858	1.6
401.17542	1.6
402.19119	0.8
403.19620	1.0
404.20535	1.0
405.20825	5.0
406.21555	3.7
407.22308	10.6
413.17703	1.7
414.18570	2.4
415.19272	4.4
416.20047	0.8
417.20673	1.5
418.17575	0.5
419.17761	0.9
419.23215	2.2
420.23013	2.0
421.23904	9.1
422.24545	2.5
427.19360	2.1
428.20135	3.4
429.20837	12.5
430.22098	2.2
431.18036	0.8
431.22943	0.9
432.19427	0.8
433.19739	1.3
433.24323	1.2
435.21442	0.9
441.21130	0.9
442.21606	1.8
443.17621	0.6
443.22485	7.7
444.23547	3.5
445.19867	2.1
447.18121	1.6
449.23315	0.8
455.18814	1.0
456.19379	1.1
457.18930	0.8
457.23770	3.2
458.25122	4.6
459.21985	6.4
460.22607	1.5
461.19293	4.0
462.20462	1.9
463.21112	0.9
470.21213	1.7
471.21808	2.0
472.22900	5.1
473.18344	0.7
473.23395	1.8
474.20593	0.9
475.21094	4.6
476.21268	3.1
477.22778	1.5
483.18192	0.7
484.18442	0.6
485.23538	9.4
486.20456	2.1
486.25046	0.7
487.20959	0.7
488.22110	1.4
489.22781	2.4
498.21054	0.6
499.21384	2.9
500.22006	1.3
502.23618	0.5
503.24475	6.0
507.24188	0.9
508.28183	0.9
513.22894	2.3
514.23828	0.9
517.26416	5.3
519.24139	0.5
521.25635	0.6
529.25775	1.0
531.23932	1.1
535.27429	3.0
545.25464	71.9
546.25793	3.2
563.26404	0.7
564.27258	1.0
573.24982	16.0
574.25220	0.7
577.27942	0.7
591.26031	1.8
605.27563	100.0
606.27802	4.3
623.28607	95.3
624.28741	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	623.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01864	1.1
55.05513	3.2
55.53772	0.6
67.05505	4.0
69.07047	2.1
70.53418	2.0
71.04972	0.6
79.05501	4.1
81.07053	5.1
83.04946	1.2
83.08620	1.4
91.05478	5.4
93.07040	3.8
95.04973	0.7
95.08601	2.3
97.06522	1.0
97.10152	0.6
105.07029	4.1
107.04960	1.1
107.08586	2.3
109.06515	0.7
109.10160	1.5
115.05437	0.8
117.07011	2.3
119.08566	2.6
120.08115	0.6
121.10160	1.0
129.07019	1.4
131.08516	1.4
133.10150	3.1
135.08076	0.6
135.11679	1.3
143.08575	1.7
144.09492	0.5
145.06516	0.8
145.10110	1.8
147.11649	1.5
149.09596	1.0
150.72586	0.7
155.07216	0.6
155.08464	0.9
157.10144	1.3
159.11720	2.1
163.11177	0.8
167.08531	0.6
169.10150	1.4
171.03738	0.6
171.11742	1.4
173.13261	0.8
181.10190	0.7
183.11722	1.2
185.13280	0.6
195.11758	0.8
209.13211	0.6
221.10854	0.8
223.12241	0.7
257.19128	1.4
275.20047	3.7
288.38538	0.6
309.47375	0.6
331.22699	0.8
375.16205	1.0
376.17209	1.0
377.17813	1.6
377.72012	0.6
378.18451	1.1
386.15302	0.9
387.16150	1.2
389.17783	0.8
390.18591	1.6
391.19272	2.9
392.20004	1.9
393.20807	1.3
399.16348	0.8
400.16962	1.3
401.17801	2.1
402.18289	0.7
405.16559	1.0
405.21048	1.4
406.21591	0.8
407.22269	4.0
413.17624	1.7
414.18369	2.0
415.19446	3.3
416.20435	0.9
417.16510	0.9
417.21176	0.9
419.18546	2.2
419.23355	0.9
421.20303	1.7
427.19733	0.9
428.20020	1.8
429.20901	1.9
430.21750	1.4
433.20853	0.9
435.21744	1.9
436.22446	0.6
443.22382	2.0
444.19565	2.6
445.20227	2.3
446.16470	1.2
447.17325	4.0
448.18854	2.2
449.19394	0.8
457.20670	1.1
458.21619	1.2
459.18030	1.7
460.18643	1.1
461.19302	2.7
462.20566	2.2
463.20987	1.8
471.22354	4.0
472.22583	0.7
473.19412	2.8
474.20526	2.5
475.21603	2.4
485.19785	2.5
486.20398	2.5
489.18344	1.6
489.22781	4.3
490.19513	4.4
491.20282	3.5
493.22293	0.8
499.21252	9.5
500.18774	1.1
501.23996	2.7
502.20337	0.8
503.20563	3.3
507.23956	1.1
513.19281	3.8
514.20013	1.0
517.22473	13.1
518.22437	1.1
521.22205	0.8
527.20770	1.7
529.22412	7.6
531.19897	2.9
535.23383	3.2
536.23999	0.8
545.21857	24.5
546.21912	1.8
555.20276	0.9
563.24261	1.9
564.23248	1.2
573.21442	9.9
577.24286	3.6
591.22498	4.1
595.25586	1.4
605.23914	44.9
606.24683	3.0
623.24976	100.0
623.42743	7.4
624.25146	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	623.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01869	4.0
55.05252	1.2
55.05505	18.6
55.99460	0.8
57.03434	3.8
57.07079	0.8
59.04999	0.7
65.03938	1.4
67.05498	25.4
69.03418	2.0
69.06764	0.8
69.07072	8.8
71.04981	1.9
79.05487	21.1
81.03413	6.5
81.07054	17.9
83.04970	2.1
83.08610	8.0
84.30762	0.7
85.06532	1.4
87.76862	0.7
91.05473	18.5
93.07037	15.5
95.04967	3.4
95.08596	13.4
95.09216	0.7
97.06523	2.8
97.10160	9.6
103.05453	1.3
104.04651	0.6
105.04509	0.7
105.07018	16.4
107.04942	3.1
107.08588	10.9
109.06506	2.9
109.10136	7.4
111.08073	1.1
115.05467	2.4
117.06999	9.3
119.08575	9.5
120.08147	0.7
121.06478	1.8
121.10120	5.0
123.08061	1.5
123.11706	1.8
125.09624	7.9
128.06215	2.6
129.06984	8.2
130.07689	0.8
131.08560	10.1
133.06502	1.8
133.10120	7.7
135.08089	2.1
135.11673	2.4
137.09596	1.2
141.06975	4.7
142.07777	1.7
143.08560	10.0
145.06473	2.0
145.10095	8.6
147.08015	1.9
147.11668	4.7
149.09535	0.8
149.13274	0.9
153.07079	1.2
153.09053	1.2
154.07768	0.9
155.08531	6.4
156.09358	1.1
157.06505	1.1
157.10120	7.6
159.08031	1.0
159.11694	6.6
161.06006	1.3
161.09605	1.6
161.13271	1.8
163.11243	1.5
165.07037	1.0
166.07800	0.8
167.08475	3.5
168.09418	1.5
169.10100	7.7
171.07970	1.0
171.11713	5.8
173.05974	1.6
173.09596	1.5
173.11906	1.0
173.13168	3.2
175.11186	1.8
175.14783	1.2
179.08607	2.1
180.09361	0.8
181.10110	5.0
182.10887	0.9
183.11691	7.1
185.09627	0.9
185.13232	4.5
187.14857	1.6
189.11194	4.1
193.10149	2.7
195.11671	4.9
197.09590	1.0
197.13284	4.9
199.11172	1.1
199.14838	2.8
201.16443	0.9
207.11713	3.0
209.10912	0.8
209.13281	4.5
211.14735	3.4
213.16428	1.9
218.10838	0.7
219.11728	1.4
221.13330	1.4
223.14832	2.5
225.16435	2.3
227.12648	3.2
227.17897	0.7
233.13379	1.0
235.14828	1.3
237.16304	1.4
239.17938	3.0
241.16005	0.9
241.19563	2.0
249.16528	0.9
251.18034	1.1
253.16003	0.7
253.19537	1.3
257.18951	1.5
259.20560	2.2
263.17685	0.8
265.19592	0.8
271.13367	1.5
271.16916	1.5
273.18448	1.4
275.20160	2.6
277.19168	0.7
279.21140	0.7
283.20624	0.9
291.19461	5.8
297.22223	0.9
315.23184	1.5
327.19388	0.7
327.23007	0.9
333.24445	0.7
335.25851	1.1
340.14114	0.8
353.24796	0.7
361.25128	0.9
362.15619	1.1
363.16238	1.0
363.26871	1.3
364.16977	0.8
373.14032	0.8
374.16379	1.3
375.16623	1.7
376.17236	1.2
377.17502	3.1
377.28934	0.9
378.18359	2.1
379.30008	3.8
381.27716	1.0
385.14554	1.0
386.15591	0.8
387.16510	1.4
388.17758	0.9
389.18063	1.4
390.18976	1.7
391.19360	5.1
392.19925	2.4
393.20639	3.7
399.16089	1.6
400.16852	2.0
401.17725	4.0
403.15344	0.7
404.16348	1.6
405.16495	1.5
405.21695	3.2
407.22433	4.5
413.17780	3.3
414.18478	3.6
415.19452	6.6
416.20453	1.4
417.21179	1.7
419.18906	5.1
420.19296	1.6
421.20068	5.4
422.44980	0.7
425.17642	1.5
426.19275	0.7
427.19202	2.4
428.20529	3.6
429.21396	4.8
430.21625	3.0
431.18771	3.0
433.16150	1.9
433.30811	0.8
434.21396	1.0
435.21860	2.3
436.22839	1.0
437.31134	1.0
441.16647	1.2
443.22430	3.7
444.18823	4.0
445.20328	2.4
446.21005	1.5
447.17618	7.0
448.18976	3.0
449.19809	2.8
451.32040	1.1
455.18375	1.3
456.19485	2.1
457.20203	2.6
458.20935	2.9
459.17786	1.6
460.18677	1.4
461.19662	4.5
461.30475	0.8
462.20190	3.4
463.21295	2.8
463.31671	0.8
468.19571	0.8
469.16504	1.1
469.33136	0.7
471.22232	9.6
472.18958	2.6
472.23712	0.7
473.19168	5.1
474.20358	3.7
475.16254	1.2
475.21500	3.4
476.18558	2.8
477.18674	1.2
483.22345	1.1
484.19040	1.6
485.19965	3.2
486.20532	5.4
489.17676	0.8
489.22702	6.3
490.19202	5.4
491.20273	5.0
493.22046	1.0
499.21246	20.1
500.18820	2.6
501.23438	6.4
502.20197	1.1
503.20737	5.5
504.21176	1.0
507.24374	3.3
508.24738	1.1
511.21356	1.4
513.19366	2.1
513.36945	2.0
514.19769	1.6
515.21100	0.9
516.21436	1.0
517.22314	14.4
518.22742	1.4
525.35834	6.3
527.20782	4.1
529.22321	11.2
530.22333	0.8
531.19574	1.0
531.38190	3.3
535.23535	7.5
541.35168	1.4
545.21802	54.7
546.22101	2.0
549.25262	1.2
549.39264	1.6
550.25580	1.5
554.35931	1.2
555.19470	1.3
563.22754	8.7
564.23749	2.2
567.39948	1.2
573.21246	15.8
577.24707	1.4
591.24573	1.2
595.25299	1.7
605.23889	94.2
605.41827	10.1
606.24359	4.1
623.24982	100.0
623.42767	49.1
624.25391	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	622.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
55.05513	4.9
55.88901	0.6
56.05012	0.9
57.03430	1.6
57.07057	0.8
58.06594	1.6
60.04494	1.0
65.03921	1.2
67.04209	0.8
67.05501	6.9
68.05028	0.7
69.03423	2.1
69.07058	3.9
70.06574	3.0
71.04963	1.6
73.28594	0.7
79.05493	7.4
80.05007	6.3
80.05798	1.0
81.03421	7.6
81.05813	0.8
81.06580	1.5
81.07050	24.5
82.03703	0.7
82.06581	27.5
83.04980	1.8
83.08624	1.7
85.02891	3.4
91.05051	0.7
91.05490	7.0
93.07050	4.9
94.06565	32.8
95.04968	8.3
95.08605	5.1
96.05251	1.0
96.08131	2.3
97.02875	2.1
97.06512	2.5
97.10172	1.5
101.02345	1.6
101.09518	0.8
105.07031	2.7
107.04968	5.6
107.08574	2.6
108.08118	16.0
108.08858	1.0
109.02797	1.0
109.06498	3.0
109.10149	1.9
111.04426	0.9
111.08073	1.3
112.07579	0.8
115.05308	1.0
117.06995	1.0
119.04936	1.6
119.08615	1.7
121.06511	1.4
121.10126	1.1
123.08046	0.8
123.11683	1.0
124.07585	15.3
125.05912	1.2
126.09153	1.8
126.41936	0.7
127.03928	1.0
129.07013	2.1
131.08563	1.2
133.10126	1.3
135.11679	1.6
136.07579	14.1
137.05981	3.8
137.70636	0.8
141.06995	1.0
142.08630	43.7
143.08595	1.1
145.04991	1.0
145.10095	1.8
147.11725	1.1
149.09595	0.8
154.08623	100.0
155.07054	1.0
157.10077	1.1
163.03912	3.1
172.09697	9.8
175.11386	0.9
177.05408	0.9
193.12164	1.3
207.21124	0.7
211.13214	1.1
221.15515	1.0
270.24289	2.8
296.31573	0.8
355.95596	0.8
370.27527	1.0
376.28592	1.0
388.28787	0.9
394.29556	12.3
406.29532	12.5
424.30560	75.9
442.25613	1.7
442.31641	27.9
476.26950	0.9
593.84344	0.9
622.33429	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	622.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.8
55.05513	4.9
55.88901	0.6
56.05012	0.9
57.03430	1.6
57.07057	0.8
58.06594	1.6
60.04494	1.0
65.03921	1.2
67.04209	0.8
67.05501	6.9
68.05028	0.7
69.03423	2.1
69.07058	3.9
70.06574	3.0
71.04963	1.6
73.28594	0.7
79.05493	7.4
80.05007	6.3
80.05798	1.0
81.03421	7.6
81.05813	0.8
81.06580	1.5
81.07050	24.5
82.03703	0.7
82.06581	27.5
83.04980	1.8
83.08624	1.7
85.02891	3.4
91.05051	0.7
91.05490	7.0
93.07050	4.9
94.06565	32.8
95.04968	8.3
95.08605	5.1
96.05251	1.0
96.08131	2.3
97.02875	2.1
97.06512	2.5
97.10172	1.5
101.02345	1.6
101.09518	0.8
105.07031	2.7
107.04968	5.6
107.08574	2.6
108.08118	16.0
108.08858	1.0
109.02797	1.0
109.06498	3.0
109.10149	1.9
111.04426	0.9
111.08073	1.3
112.07579	0.8
115.05308	1.0
117.06995	1.0
119.04936	1.6
119.08615	1.7
121.06511	1.4
121.10126	1.1
123.08046	0.8
123.11683	1.0
124.07585	15.3
125.05912	1.2
126.09153	1.8
126.41936	0.7
127.03928	1.0
129.07013	2.1
131.08563	1.2
133.10126	1.3
135.11679	1.6
136.07579	14.1
137.05981	3.8
137.70636	0.8
141.06995	1.0
142.08630	43.7
143.08595	1.1
145.04991	1.0
145.10095	1.8
147.11725	1.1
149.09595	0.8
154.08623	100.0
155.07054	1.0
157.10077	1.1
163.03912	3.1
172.09697	9.8
175.11386	0.9
177.05408	0.9
193.12164	1.3
207.21124	0.7
211.13214	1.1
221.15515	1.0
270.24289	2.8
296.31573	0.8
355.95596	0.8
370.27527	1.0
376.28592	1.0
388.28787	0.9
394.29556	12.3
406.29532	12.5
424.30560	75.9
442.25613	1.7
442.31641	27.9
476.26950	0.9
593.84344	0.9
622.33429	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	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61222	1.2
53.03941	8.0
55.01870	5.9
55.05508	19.7
57.03436	7.2
62.44946	1.1
64.31715	1.0
65.03931	2.7
67.05499	31.3
69.03416	13.0
69.07061	8.1
70.27424	1.4
71.01350	1.9
71.04993	6.1
71.34661	1.2
71.66054	2.3
74.65646	1.3
77.99461	1.1
79.05484	32.8
81.03410	100.0
81.07047	28.7
83.04979	12.4
83.08613	20.9
85.02895	18.9
85.06537	2.3
91.04892	1.8
91.05473	38.6
93.07039	23.0
95.04961	33.1
95.08578	9.0
97.02895	13.3
97.06529	5.8
97.10155	7.2
99.04453	3.7
99.08078	2.0
105.07023	30.2
107.04955	12.5
107.08585	11.1
109.02863	20.2
109.06502	6.6
109.10147	4.5
111.04448	11.2
111.08075	8.4
115.05479	2.7
117.07031	7.4
119.04928	3.4
119.08572	20.4
121.06472	6.8
121.10139	9.6
123.04412	5.6
123.08046	3.2
123.11692	3.0
125.02352	3.7
125.09628	3.7
127.03910	8.2
128.06216	1.9
129.05431	1.3
129.06970	16.5
129.07738	1.3
131.04933	3.1
131.08563	16.9
133.06482	6.4
133.10120	10.9
135.04448	1.6
135.08066	3.5
135.11720	3.7
137.06065	1.6
137.09627	2.2
138.30428	1.2
141.07021	1.3
142.07808	3.3
143.08546	3.5
145.06522	6.0
145.07481	1.2
145.10127	5.5
147.04410	2.9
147.08086	3.7
147.11655	15.9
149.05977	3.7
149.09624	6.4
151.11159	1.4
153.12752	3.2
155.08592	1.5
157.06509	3.5
157.10112	11.3
157.42691	1.2
159.08133	2.4
159.11667	1.6
161.05986	4.5
161.09621	3.1
163.11203	5.3
165.07074	1.2
165.09123	1.7
165.12773	4.4
167.08556	1.7
169.10187	2.0
171.08008	2.3
171.11678	1.6
173.04520	2.7
173.06007	3.2
173.09644	2.5
175.11137	11.0
177.12808	1.7
181.12248	3.3
185.09554	1.4
185.13258	1.3
187.07549	1.8
187.11284	1.4
189.11238	3.1
189.12759	1.6
191.10678	4.6
193.12225	40.6
199.11258	1.2
207.13910	2.1
211.11307	3.0
211.13280	44.3
211.15234	2.7
212.13603	1.5
213.05469	2.3
213.09256	1.2
213.12762	1.2
217.12402	1.3
223.13338	2.0
227.12791	4.7
229.14310	1.4
235.13287	4.6
245.15616	1.6
249.14929	3.4
251.12700	1.6
255.13806	3.5
257.72870	1.2
259.13422	2.6
261.83459	1.3
267.15936	10.9
273.14728	8.6
283.13229	2.3
285.17053	7.9
289.14566	1.5
301.14273	12.2
303.15903	1.4
309.16678	1.5
313.16977	1.4
319.15219	6.8
333.16867	1.4
337.16901	2.5
343.79584	1.4
349.21277	1.6
355.17523	4.9
367.22745	2.1
375.18225	2.9
385.23886	4.2
393.19077	3.3
411.20154	2.2
459.27484	4.7
477.28336	7.2
495.29492	4.9
573.30389	1.9
585.30743	9.5
603.31586	8.0
621.32635	52.7
622.33081	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05500	0.2
69.70511	1.0
69.70955	1.0
76.35404	0.3
133.14708	0.3
146.81679	0.2
204.06712	0.3
207.09090	0.4
209.10760	0.3
211.12445	0.3
221.10703	0.5
293.40222	0.3
310.13531	0.4
312.15039	0.3
338.12759	0.3
338.16495	0.4
373.14383	0.3
374.15219	0.8
375.16129	0.9
387.16336	0.6
388.16907	0.9
389.17596	3.3
390.18433	1.3
391.19159	0.7
396.07617	0.3
401.17737	0.9
402.14041	0.5
402.19037	1.4
403.15378	0.6
403.19452	4.9
404.16296	0.2
404.20068	2.5
405.20923	2.5
415.15021	0.4
415.19821	0.7
416.16162	0.7
416.20584	0.4
417.17087	3.7
417.21118	2.2
418.17606	0.9
418.22574	1.2
419.22440	7.6
420.23050	0.9
429.16953	0.7
430.17914	1.1
430.22589	0.4
431.18158	7.2
432.19058	3.0
433.20050	2.6
443.18820	0.8
444.19666	0.7
445.19998	6.4
446.20953	8.1
447.21796	10.9
448.22159	0.8
457.20297	0.4
458.21280	0.4
459.22763	3.0
460.18192	0.6
460.23465	0.4
461.19281	1.7
463.21463	0.5
473.19568	1.4
473.24237	0.8
474.20343	6.8
475.21280	7.9
476.22089	0.3
477.23013	0.3
478.23492	0.3
487.21350	3.5
488.21661	0.9
491.20044	1.6
492.24826	0.4
501.22864	2.0
502.24136	0.3
505.20844	0.3
505.26083	1.2
506.22559	0.3
518.23047	0.7
519.19604	1.2
529.22308	0.6
533.25519	15.4
534.26117	0.6
538.41040	0.3
546.22406	0.6
561.24976	23.1
562.25458	1.5
565.28119	0.4
589.24304	1.1
593.27606	4.1
621.27057	100.0
622.27368	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	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81789	0.8
53.03944	8.4
55.01875	5.1
55.05511	17.7
57.03433	9.7
65.03919	2.4
67.05503	27.2
69.03075	1.4
69.03419	14.2
69.07070	8.3
70.24179	1.8
70.24599	3.0
71.01334	1.4
71.04993	5.9
79.05060	1.8
79.05495	31.5
81.03416	100.0
81.07054	29.8
83.04981	15.1
83.08618	15.9
85.02903	20.4
85.06547	2.1
91.05479	37.1
93.07045	19.7
95.04964	32.3
95.08606	11.4
97.02890	12.4
97.06522	6.4
97.10160	6.1
99.04457	4.9
99.08096	1.2
103.05456	2.2
105.07030	25.7
107.04961	12.3
107.08598	11.6
108.59481	0.9
109.02880	19.0
109.06506	6.3
109.10155	4.2
111.04449	8.6
111.08074	8.9
113.05988	2.4
115.05465	3.3
117.07006	8.2
119.04948	4.1
119.08579	17.0
121.02853	1.0
121.06496	5.7
121.10139	10.4
123.04435	4.6
123.08092	3.1
123.11713	2.9
125.02369	2.2
125.09637	4.1
127.03928	7.8
128.06252	2.5
129.06992	14.3
131.04933	3.0
131.08568	13.4
133.06491	6.0
133.10107	8.6
135.04425	1.5
135.08060	2.5
135.11667	4.4
137.05972	2.9
137.09590	2.8
142.07784	2.4
143.08531	2.7
145.06482	4.9
145.10117	5.9
147.04419	4.1
147.08037	5.9
147.11688	15.3
149.05972	4.9
149.09608	5.8
153.09111	1.0
153.12758	2.1
154.90076	1.0
155.08600	2.2
157.06526	1.8
157.10132	12.3
159.08067	2.4
159.11748	1.9
161.05997	3.9
163.03954	1.7
163.11162	5.2
165.12674	4.2
167.08562	1.4
169.10155	1.6
170.88403	0.9
171.04416	1.6
171.08017	1.9
171.11650	1.4
173.04446	3.0
173.06035	2.8
173.09698	1.5
174.06656	0.9
175.11165	10.8
177.05475	1.3
177.12834	1.5
181.06500	1.1
181.12239	2.4
183.08096	1.0
185.09612	0.9
185.13210	1.6
187.07565	1.5
187.11281	1.3
189.05463	2.0
189.09192	1.2
189.11263	2.7
191.10727	3.6
193.12225	36.3
197.09605	1.2
197.13441	1.3
199.11191	2.0
205.12187	1.2
209.11646	1.2
211.07690	1.3
211.13275	41.4
213.05649	0.9
213.12688	1.8
215.06654	1.0
215.14075	0.9
217.12323	1.6
221.60464	0.8
223.13257	1.7
225.12782	0.9
227.12564	5.5
229.12300	1.3
231.13866	1.6
235.13332	3.1
245.15559	1.1
247.13422	1.5
249.14894	3.4
255.13889	3.3
257.15521	1.4
259.13394	2.9
261.14810	1.3
267.15921	9.8
273.14825	7.3
277.14349	1.7
283.15674	1.4
285.17206	6.6
289.14325	1.1
291.16089	1.5
301.14301	11.5
303.15863	1.5
309.17154	1.3
319.15466	6.4
323.63080	1.0
337.16360	3.8
355.17465	3.1
357.16837	1.3
367.22797	1.7
375.18091	3.4
385.23981	2.8
393.19202	3.8
403.24826	1.6
411.20337	3.5
421.25482	1.1
459.27515	4.1
477.28348	5.9
477.71289	0.9
495.30063	4.4
501.28397	1.3
567.29657	1.4
573.30798	2.5
585.30615	7.6
603.31732	8.7
621.32672	50.8
622.32971	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.57909	0.4
66.01193	0.4
69.29861	4.7
122.96881	0.4
129.12909	0.5
161.77505	0.4
195.09300	0.5
198.12814	0.5
208.07686	0.4
209.10785	0.5
220.02655	0.4
221.10767	0.6
235.12320	0.4
272.75177	0.5
350.39890	0.4
373.14786	0.6
374.15359	0.6
375.16168	1.1
387.16180	1.0
388.16879	1.2
389.17575	3.8
390.18362	1.7
391.19165	0.8
401.17874	0.7
402.18640	1.8
403.19464	4.7
404.20175	2.6
405.20844	3.1
415.14972	0.9
415.19476	1.2
416.16318	1.4
417.17105	4.4
417.21112	2.8
418.17392	1.1
418.21808	1.2
419.22382	7.9
430.18005	1.5
431.18155	8.0
431.23633	0.8
432.19037	2.7
433.20004	2.7
443.19104	0.5
444.19720	0.7
445.20074	7.2
446.20984	6.6
447.21783	10.5
447.27768	0.6
448.22467	0.5
459.17206	1.0
459.22018	2.0
460.23340	0.8
461.19846	1.7
473.19806	1.4
474.20331	7.3
475.21371	7.4
487.21252	2.6
488.22113	1.0
491.20084	1.1
501.23114	2.2
505.26202	1.4
518.23126	0.7
519.21179	0.6
533.25519	13.3
534.25470	0.8
546.22412	0.6
561.24982	21.4
562.24988	1.8
589.24268	1.6
593.27679	3.8
621.27075	100.0
622.27173	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	619.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03947	4.2
55.01865	3.8
55.93767	0.8
57.03429	2.1
57.77080	0.8
68.01987	0.9
68.99767	1.6
69.03425	11.5
70.06590	2.3
70.12467	0.9
70.71028	1.5
70.71431	2.0
71.04987	1.7
73.02900	1.6
78.04708	2.8
79.05492	11.0
81.03417	11.9
81.07049	1.7
85.02908	16.3
87.00828	7.6
89.03976	1.0
91.05475	5.7
95.04961	3.9
97.02898	7.6
99.04454	3.0
103.05459	2.7
104.06240	1.2
105.01845	4.1
105.03446	1.1
105.07033	9.9
106.04160	2.0
107.04955	20.8
109.02872	9.7
110.09641	1.9
115.05453	5.5
117.01852	1.0
117.07018	1.2
117.70222	0.8
118.04147	1.6
119.08585	3.8
120.08081	1.3
121.06509	1.0
122.03618	1.6
123.04414	6.4
124.05215	5.8
127.03915	14.5
128.06226	3.2
129.01804	1.0
129.07010	3.5
130.04158	1.5
131.04950	4.9
132.05731	5.2
133.06514	7.8
137.05972	2.9
138.09088	1.8
141.06992	3.2
143.04849	1.0
145.04944	3.2
145.06483	2.0
146.03610	1.1
147.04352	1.2
147.08063	5.6
147.09055	1.0
149.06023	1.4
151.03928	1.2
152.04703	3.1
153.05415	1.3
158.67334	0.9
159.02893	2.9
159.08037	4.2
160.05206	4.4
160.06383	0.8
161.05989	8.7
163.03868	1.3
163.07620	1.7
166.08607	1.5
167.07040	100.0
168.05696	1.8
169.06461	2.7
171.08064	2.7
175.07542	55.2
176.04657	1.5
177.05525	1.7
178.06256	1.1
184.05167	1.9
187.07497	9.4
189.07007	2.4
189.09019	1.8
190.07765	2.4
191.07047	11.3
191.08597	2.0
192.07880	1.4
193.08604	26.2
193.10292	2.1
199.07536	19.0
201.09106	6.1
202.07704	1.8
203.06940	1.0
203.08516	4.4
204.09242	1.0
205.06401	1.0
207.08067	2.3
209.08136	1.6
215.08592	2.9
215.42470	1.0
217.08626	0.9
218.07233	6.8
219.08061	2.8
220.08841	1.0
221.09554	2.2
229.06534	1.8
231.05180	1.3
231.08044	4.9
232.08830	2.9
233.09651	7.8
234.06750	2.1
235.07510	4.8
239.11865	1.1
243.08173	1.9
246.06783	4.9
247.07570	3.4
249.09093	4.0
250.09909	2.6
257.05957	1.6
259.07507	2.4
260.08322	3.4
261.09198	11.5
262.09894	1.7
263.07037	3.7
263.10361	0.9
271.07751	1.0
273.09235	1.6
274.06262	2.8
275.07019	3.1
276.07791	1.2
277.08597	3.8
278.09485	5.1
279.10068	1.3
280.07236	1.2
281.11691	2.5
287.07309	1.0
289.08585	12.3
290.09344	3.6
291.06598	1.4
291.10040	2.1
293.11581	6.2
294.08972	1.0
295.09439	1.0
299.13965	1.0
305.08133	1.2
306.08981	4.6
307.09543	4.9
309.11185	3.8
315.13623	1.0
320.10062	1.1
321.11191	18.3
322.11960	4.1
323.09055	2.6
323.12521	1.0
325.14450	2.1
326.11548	1.3
338.11404	3.8
341.13879	12.6
345.10760	1.3
353.13834	49.2
355.15375	4.6
365.13818	2.0
436.18600	2.8
448.18826	3.0
454.19748	2.5
466.19574	1.3
575.27246	1.0
619.29413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07874	0.1
61.62686	0.1
69.49120	1.1
85.06508	0.2
98.21494	0.3
141.54347	0.1
178.95840	0.1
234.11444	0.2
235.12088	0.2
310.13440	0.1
374.15286	0.3
375.16025	0.7
376.17380	0.3
386.15701	0.2
387.16162	0.6
388.16672	0.8
389.17566	1.7
390.18454	0.8
391.19058	0.4
401.13300	0.2
401.17755	0.6
402.13882	0.2
402.18893	0.8
403.15582	0.2
403.19351	2.4
404.20044	1.6
405.20801	1.2
413.17712	0.3
415.19620	1.0
416.15585	0.4
416.20139	0.6
417.16858	1.5
417.20865	1.5
418.16846	0.3
418.22427	0.8
419.22327	3.3
420.22849	0.6
427.19556	0.2
429.20804	0.6
430.17731	0.6
430.22202	0.4
431.17725	2.1
431.22824	1.0
432.18677	0.7
433.20175	0.6
441.20712	0.3
443.18668	0.2
445.20575	2.6
446.21063	2.3
447.21863	5.5
448.22424	0.3
449.19534	0.2
459.18134	2.3
459.22842	0.8
460.17856	1.0
461.19656	1.6
473.18262	1.0
473.24127	0.6
474.20370	6.2
475.21262	10.3
476.21988	0.7
477.22910	0.2
486.20554	0.3
487.21371	2.6
488.21796	0.9
490.23322	0.2
491.24902	0.3
492.25278	0.3
501.22858	2.3
502.24509	0.2
503.21332	0.2
505.26443	1.3
518.23126	0.5
519.19635	0.8
523.40070	0.3
529.22327	0.8
532.24341	0.3
533.25574	5.6
534.24695	0.2
546.22589	0.5
561.24933	26.9
562.25299	1.9
565.28552	0.2
589.24670	1.6
593.27405	0.6
621.27032	100.0
622.27374	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01871	0.4
69.43619	3.4
69.44034	0.8
77.36736	0.4
83.24075	0.4
129.25729	0.4
195.09198	0.5
233.17137	0.4
373.14349	0.6
374.15067	0.6
375.15973	1.9
387.15933	1.2
388.17007	1.9
389.17706	5.6
390.18521	2.4
391.19342	0.8
394.15799	0.5
401.17746	1.5
402.18500	1.7
403.15549	0.9
403.19489	6.5
404.20139	4.5
405.21069	2.4
413.17996	0.6
415.19263	1.6
416.16150	1.7
416.20648	0.8
416.91205	0.5
417.16086	5.7
417.21024	3.2
418.21448	1.4
419.22388	12.6
420.22885	0.7
429.16968	1.4
430.17776	1.9
431.18008	8.2
431.23221	1.4
432.19028	3.3
433.20264	2.1
443.18454	1.0
444.19556	0.9
445.20224	7.9
446.21024	6.7
447.21762	13.6
457.20285	0.7
459.17169	1.4
459.21964	2.7
460.18619	1.3
460.23340	0.9
461.19720	1.3
464.18576	0.5
473.19034	1.3
473.24097	1.4
474.20380	14.7
475.21219	17.1
476.21637	1.3
487.21481	4.8
488.21927	1.7
490.23343	0.6
491.20816	1.3
501.22903	3.0
504.21500	0.9
505.26682	2.0
517.21838	0.7
518.23108	0.9
529.22656	0.6
533.25476	12.8
546.22260	1.3
561.24945	95.0
562.25330	5.4
589.24475	3.2
593.27496	3.9
621.27045	100.0
622.27283	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	614.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	14.1
55.05507	36.1
57.03439	18.1
57.07073	23.9
59.39976	7.5
67.05493	75.3
69.03422	20.7
69.07052	32.0
71.04987	10.3
71.35528	17.7
78.75140	9.1
79.05510	51.5
81.03421	86.2
81.07056	91.0
83.04958	23.4
83.08618	41.7
85.06546	14.9
89.06030	31.0
91.05479	63.9
93.07043	53.6
95.04958	75.0
95.08604	74.7
97.06519	14.2
97.10164	15.6
105.07014	97.2
107.04945	11.1
107.08594	60.3
109.06512	23.9
109.10163	42.1
111.08062	11.3
115.05444	11.8
117.07035	22.7
119.04953	11.2
119.08582	74.9
121.06484	12.7
121.10145	42.4
123.08060	29.7
123.11665	13.4
125.06002	22.9
128.06236	23.3
129.07022	33.1
131.08566	43.4
133.06477	17.5
133.08607	19.0
133.10144	49.9
135.08028	19.9
135.11731	18.7
137.05975	10.7
137.09598	14.5
141.06978	11.6
142.07788	17.5
143.08569	61.8
145.10127	62.0
147.08051	23.0
147.11676	24.9
149.09674	17.9
155.08556	20.7
156.09244	12.7
157.10133	45.7
159.08025	11.5
159.11684	28.6
160.08809	16.7
161.09636	31.7
163.11197	31.3
167.08629	9.2
169.10138	26.2
171.11688	26.4
175.11163	22.6
175.14888	11.3
179.08656	13.9
179.10663	11.2
181.10150	18.0
181.12120	20.3
183.11693	15.3
185.09602	14.0
185.13237	15.7
187.11179	12.4
193.10165	22.0
193.12234	23.1
194.10785	11.1
195.11696	16.5
197.09627	12.6
197.13281	23.7
199.11079	20.8
201.09033	12.2
201.12732	15.6
206.10896	11.0
207.11699	22.1
208.12241	11.0
209.13255	16.1
210.13904	9.1
211.11227	8.4
217.15930	11.6
221.13237	13.6
221.15373	22.1
225.12875	12.0
228.69604	8.6
239.14374	10.5
263.23627	13.0
267.15866	100.0
273.18546	30.3
283.03680	9.2
299.20212	14.9
305.17529	26.1
331.18973	20.1
337.21533	18.8
337.27374	85.0
352.23898	65.1
384.23010	43.5
476.29291	24.6
520.07263	9.7
529.38611	60.8
547.39520	17.4
614.30792	14.0
614.39606	83.4
614.48431	14.5
615.39911	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	616.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93330	0.2
55.05468	0.5
55.91727	0.2
57.09728	0.2
62.25071	0.2
67.05444	0.9
69.07014	0.4
70.15348	1.0
78.34407	0.2
79.05435	0.7
81.03376	0.4
81.07044	1.3
83.04920	0.2
91.05498	1.3
93.07056	1.2
93.16872	0.2
93.76826	0.2
95.04926	0.4
95.08555	0.8
97.06497	0.4
103.05501	0.3
105.07017	1.5
107.08602	1.1
109.06476	0.3
117.06954	0.4
119.08576	1.1
121.06460	0.3
121.10158	1.4
123.07999	0.5
129.06914	0.3
131.08524	0.8
133.06435	0.5
133.10049	0.7
135.08014	0.4
135.11633	0.6
142.07784	0.4
143.08488	1.0
145.10071	0.9
147.07994	0.5
147.11684	0.3
149.09555	0.4
151.07491	0.8
155.08495	0.6
156.09209	0.3
157.10120	1.1
159.08009	0.4
159.11612	0.5
161.05972	0.3
166.09445	0.3
167.08539	0.3
167.10641	0.6
168.09349	0.4
169.10034	0.3
171.11629	0.3
173.09575	0.4
173.13321	0.3
177.05322	0.4
179.06995	0.3
179.08478	0.7
181.04840	0.3
181.06372	0.3
181.10126	0.2
181.12148	0.2
183.11679	0.8
185.13248	0.4
187.11179	0.2
189.06978	0.5
190.07791	1.7
191.08527	0.4
192.09299	0.3
193.10054	0.3
195.11659	0.3
197.13240	0.6
199.07494	0.6
200.08151	0.3
202.07758	0.5
203.08553	0.9
205.06477	0.5
205.10075	0.8
206.07304	0.4
207.06395	0.8
207.08038	2.0
209.08038	0.4
211.11116	0.6
215.08524	0.3
215.14310	0.8
218.07205	1.5
219.08133	1.4
220.08757	1.0
221.05954	0.5
221.15283	0.5
222.15749	0.3
229.12184	0.3
231.08000	2.2
231.10187	0.7
232.08842	2.3
233.05928	0.6
233.09589	1.9
233.15402	0.7
234.10336	0.3
235.07538	6.3
235.11115	0.4
236.08148	0.8
245.06049	0.3
246.06709	1.0
247.07553	5.0
248.08363	1.7
249.09155	1.7
251.10623	0.3
259.07556	3.2
260.08392	2.2
260.10779	0.3
261.06387	0.3
261.09143	3.4
262.09894	8.4
263.07034	30.1
263.10376	1.4
264.07452	0.4
265.15308	0.3
267.08594	0.9
275.09427	0.6
277.08621	4.3
278.09369	40.8
279.09805	0.4
290.11707	2.7
291.12280	0.6
293.11703	100.0
294.11877	1.0
322.14377	6.5
328.18021	0.2
392.54453	0.2
556.26703	1.8
584.26373	0.3
598.39740	0.4
616.29181	16.7
616.40442	1.5
617.22388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55748	2.0
53.03951	4.7
54.35723	1.8
55.05507	17.8
57.07064	11.1
59.05003	13.1
60.45335	1.9
61.77547	1.9
65.03933	3.6
66.34275	1.9
66.86852	1.8
67.05506	21.8
69.03418	8.5
69.07063	12.3
71.58067	2.2
71.58419	3.4
73.06538	3.6
79.05490	18.0
81.07052	26.5
83.04978	3.7
83.08624	6.3
85.06534	27.1
89.06069	2.0
91.05476	39.8
91.06003	3.7
93.07043	54.6
95.04961	13.0
95.08607	42.1
97.06520	6.2
99.08076	4.6
103.05463	2.3
105.07027	55.6
107.08593	41.8
109.06524	11.9
109.10149	20.8
111.08055	10.1
115.05431	2.3
117.06985	11.2
119.08577	73.2
121.06519	8.8
121.10128	31.5
122.07265	3.4
123.08063	38.0
123.11720	7.0
125.06034	4.9
125.09608	17.6
128.06215	6.7
129.07042	7.9
130.07803	6.1
131.08560	30.3
133.06541	3.3
133.10123	48.2
135.08086	14.7
135.11707	18.1
137.09630	13.6
142.07808	8.4
143.08549	18.5
144.09343	7.1
145.10129	39.5
147.08025	16.1
147.11685	16.4
149.09595	9.8
149.13255	4.2
151.07536	50.1
151.11176	12.3
152.07784	2.0
155.08556	6.3
156.09404	10.3
157.10117	26.6
157.48773	2.3
158.10884	4.5
159.08102	4.9
159.11668	21.2
160.12288	2.3
161.09644	8.2
161.13260	7.5
163.11188	12.9
165.09100	29.3
165.10327	3.6
165.12737	2.1
167.08569	5.0
167.10703	3.9
168.09366	3.3
169.10085	10.0
170.10933	3.5
171.11687	19.2
172.12094	2.0
173.09645	6.0
173.13278	21.8
175.11218	6.0
175.14792	17.9
179.08495	4.6
179.10661	2.2
181.10138	9.4
181.12225	10.0
182.10977	3.2
183.11722	12.3
183.13765	4.0
184.12457	3.5
185.13239	13.4
187.11194	4.8
187.14856	7.9
189.12744	14.1
191.14362	9.1
193.10144	6.7
193.12173	3.4
194.10909	3.6
195.11707	10.1
195.13785	2.6
196.12454	4.2
197.13301	12.0
199.11285	3.8
199.14882	7.5
201.12759	4.8
201.16359	3.9
203.14316	15.3
205.10165	3.4
205.16005	4.1
206.10750	2.5
207.11743	6.4
207.13844	19.1
209.13332	11.3
209.15163	2.9
211.11383	4.1
211.13348	8.2
211.15034	4.5
213.12914	2.5
213.16515	2.7
215.14384	4.6
217.15845	2.6
219.13887	2.2
221.13269	6.5
221.15338	95.8
223.14902	5.3
223.16988	10.8
225.16441	3.5
227.14384	3.4
233.13232	2.7
233.15390	5.4
235.14827	6.4
237.16467	4.2
243.13954	2.0
245.13203	2.9
246.14130	2.3
247.14723	3.0
247.17027	4.9
249.16443	5.5
251.16495	8.6
257.19153	2.0
261.16214	3.1
263.17990	4.6
281.19055	2.5
283.20660	2.9
286.19327	7.2
287.20105	3.2
299.20126	8.3
308.43259	2.1
316.26416	2.3
331.22742	2.7
375.27029	3.1
403.30188	3.2
425.30502	5.0
435.32571	2.5
491.35208	13.1
565.40765	4.0
583.41559	24.6
597.43433	15.7
608.65399	2.4
615.44092	100.0
616.44843	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	614.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59299	0.4
55.05517	0.9
57.07076	7.0
58.06595	1.9
65.03932	0.7
67.05493	0.6
69.07038	0.5
70.06593	17.2
71.08625	3.1
71.25034	0.9
72.08156	0.5
73.91523	0.5
81.03416	0.9
81.07050	0.8
84.08138	0.5
85.07108	0.5
85.10191	0.7
88.07632	19.9
91.05470	0.7
93.38533	0.5
95.04970	1.1
97.06503	0.5
102.09177	16.7
105.03434	0.6
105.07056	0.9
119.08566	0.6
129.06982	0.5
131.04936	0.8
139.03940	1.4
149.02347	43.6
149.03294	1.9
164.53354	0.5
175.04044	0.6
183.11703	0.5
188.48769	0.5
190.41467	0.5
193.04970	50.8
194.05377	0.7
212.23729	1.0
219.06583	1.3
221.15475	0.5
225.05516	1.3
233.15443	0.6
256.26352	47.6
257.26694	0.6
269.04510	1.3
297.03860	3.0
313.07117	2.3
341.06577	10.4
359.07584	6.4
359.82202	0.5
371.31952	0.6
385.09174	48.0
386.09683	1.3
500.23471	0.6
526.86035	0.6
553.37305	0.5
596.32190	1.1
614.33228	100.0
615.33191	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	4.0
55.05270	1.2
55.05513	17.9
57.03437	5.0
57.07066	4.3
65.03937	2.2
67.05507	48.6
69.07068	17.6
71.04990	1.7
71.08654	1.4
71.59714	2.1
71.60049	1.6
78.17749	1.0
79.05491	25.0
81.07059	54.5
83.04980	2.1
83.08610	6.8
85.06554	1.8
89.45438	1.0
91.05481	22.7
93.07044	34.4
95.04981	2.9
95.08607	44.9
97.06551	3.7
97.10147	6.2
99.08126	1.3
105.07033	24.0
107.08602	22.2
109.06540	1.1
109.10161	21.6
111.08086	2.1
117.07020	9.5
119.08583	21.7
121.10148	20.0
123.08102	1.2
123.11718	9.1
125.09656	1.2
129.07042	4.3
131.08583	17.9
133.10139	19.4
135.11703	13.2
137.09578	2.3
137.13274	3.2
139.11192	1.6
143.08582	5.7
145.10112	17.7
147.11679	16.0
149.09625	1.5
149.13251	9.6
152.42752	1.1
153.12784	1.1
155.08592	1.9
157.10147	5.0
159.11700	13.3
161.13261	10.5
163.14870	4.2
169.10213	1.8
171.11641	7.1
173.13287	10.8
175.14819	7.1
177.16399	2.8
183.11746	3.5
185.13318	3.3
187.14769	5.0
189.16403	2.5
197.13316	1.9
199.14835	3.1
201.16388	2.7
203.18005	2.0
207.11594	1.0
211.14874	2.3
213.16457	3.1
215.18036	2.0
217.19557	1.5
231.21111	1.5
241.19527	3.1
243.21210	3.8
245.22882	1.4
259.20581	8.7
261.22125	9.6
263.23764	2.4
273.22302	1.2
285.22241	1.1
287.23660	1.6
299.23746	2.0
313.25314	1.5
317.24805	2.2
327.26923	1.7
329.24603	1.2
333.24191	5.5
335.25772	13.8
337.27438	8.2
341.28204	1.2
347.26001	2.6
350.72272	1.1
353.58185	1.1
355.30096	1.7
369.31589	1.9
475.34613	1.2
503.36737	1.9
517.38995	1.6
521.43250	6.6
539.44476	4.3
543.40802	2.0
577.46313	1.3
595.47186	10.2
613.48279	100.0
614.48492	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	2.1
55.01862	1.3
55.05512	15.5
57.03434	5.7
57.07064	2.9
65.03929	2.2
67.05502	52.3
69.07066	20.5
69.07454	1.1
70.45423	1.5
70.45823	1.4
71.04977	1.8
71.08621	2.0
76.78696	0.7
79.05491	27.2
81.07055	55.5
83.04977	1.5
83.08612	9.3
85.06544	1.7
89.49228	0.7
91.05476	22.4
93.07040	35.6
95.04972	3.0
95.08604	47.6
97.06522	2.7
97.10172	5.9
99.08100	1.3
105.07023	21.1
107.08594	24.4
109.06515	1.5
109.10149	24.5
111.08073	1.7
111.11712	1.9
115.05460	0.9
117.07018	10.4
119.08579	24.9
121.10143	19.2
123.08084	1.6
123.11696	9.0
129.06981	4.2
131.08560	18.5
133.10124	19.3
135.11679	14.9
137.09641	1.5
137.13251	3.9
139.11217	1.4
141.07027	1.4
143.08569	6.2
145.10114	19.2
147.11694	15.4
149.09596	0.9
149.13266	9.4
151.11232	1.0
151.14848	1.3
155.08548	1.3
157.10141	6.5
159.11684	16.2
161.13260	12.5
163.14772	4.7
165.12808	0.9
167.08626	0.7
169.10205	3.4
170.10936	0.8
171.11685	6.2
173.13271	11.8
175.14809	6.7
177.16418	1.8
179.14235	0.9
181.10101	1.1
183.11636	3.2
185.13289	5.9
187.14835	8.0
189.16423	2.4
191.18034	1.2
197.13281	2.4
199.14857	4.9
201.16368	4.0
203.17961	2.0
205.15898	1.0
209.13339	1.1
211.14917	1.2
213.16422	2.5
215.17975	2.1
217.19460	1.6
219.17476	0.7
223.14743	0.7
225.16417	0.9
227.18063	1.3
229.19626	1.5
231.21133	1.6
233.19020	0.9
239.18051	1.4
241.19717	4.0
243.21210	2.1
245.19025	0.8
245.22559	0.8
247.20586	1.2
257.19031	1.0
259.20584	8.2
261.22144	10.1
263.23663	1.0
273.21967	1.1
275.20169	0.9
277.21661	1.2
279.23245	1.3
285.22070	0.7
287.23782	0.8
289.22327	0.7
299.23767	2.2
313.21750	0.8
313.25357	1.9
315.26993	0.9
317.24738	1.5
323.25757	1.1
327.27173	1.0
333.24423	6.4
333.28262	1.2
335.25769	13.9
337.27365	8.8
355.30057	1.2
377.27676	0.9
383.33231	1.2
432.99036	0.8
437.34186	0.9
451.35892	0.9
477.35913	0.7
489.35788	0.8
503.37244	2.0
517.38855	1.4
521.43823	5.0
529.39166	1.1
531.40784	0.8
539.44550	4.3
543.40332	2.0
595.47150	12.8
613.48242	100.0
614.48511	4.1
615.27856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01870	1.2
55.05493	2.4
57.03415	1.0
65.03922	1.1
67.05496	3.7
69.03432	1.4
71.30434	1.9
79.05495	4.2
81.07066	6.1
83.05006	1.0
91.05481	13.1
93.07049	5.9
95.04952	2.7
95.08617	1.5
97.10160	1.0
105.07025	17.4
107.04974	1.5
107.08591	13.6
109.06496	2.8
115.05469	3.0
116.06235	1.6
117.06977	6.0
119.08577	7.7
120.22543	0.9
121.06507	3.7
128.06210	9.3
129.07004	10.3
130.07809	1.0
131.08560	23.9
133.06477	2.0
133.10086	2.2
141.06976	6.6
142.07776	12.3
143.08548	21.6
144.09328	2.5
145.06497	8.6
145.10114	12.0
147.08102	2.4
147.11694	3.5
149.05992	1.8
152.06290	1.0
153.06970	10.9
155.08539	18.8
157.10124	22.2
158.07152	1.0
159.04404	1.2
159.08043	12.2
159.11676	10.2
161.05962	1.6
161.09665	1.1
163.03831	0.9
165.06950	1.0
166.07758	1.6
167.08553	4.3
168.09348	37.2
169.06456	1.2
169.10098	3.0
171.08067	2.1
173.05960	6.2
173.09586	2.1
173.13246	11.6
175.07495	1.5
175.11145	2.6
178.07866	1.9
181.10222	4.3
183.11687	93.0
184.12029	1.3
185.09642	1.3
185.13303	2.5
186.10455	1.2
187.07552	9.4
187.11189	8.0
189.08926	1.3
193.10104	5.2
196.08838	2.1
201.09026	1.3
201.12733	31.2
211.11183	18.1
211.13162	1.3
219.13737	5.4
229.12233	100.0
230.12611	2.1
247.13280	16.5
265.61609	0.9
279.26532	1.1
289.14334	5.4
360.97827	1.0
405.47070	1.1
535.26953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13452	0.3
53.03935	0.6
55.01854	1.0
59.17799	0.4
65.03935	1.9
66.04681	0.4
67.05497	0.8
69.03410	0.6
69.86353	2.1
78.04700	2.7
79.05459	1.6
81.93381	0.4
82.04168	1.0
85.02880	1.2
87.37850	0.3
91.05476	4.8
93.03365	0.4
93.97227	0.4
94.00278	0.4
94.04173	0.5
94.35472	0.3
95.04952	1.5
96.44849	0.4
97.06522	1.2
103.04835	0.4
103.05460	2.0
105.03365	0.5
105.07004	0.5
106.04166	1.7
107.04971	2.3
107.69146	0.4
108.02061	0.4
110.03667	0.7
111.04423	1.0
115.05442	5.5
117.07009	8.5
119.04928	3.6
122.03614	1.3
123.04426	8.1
124.05209	2.6
125.05954	0.8
127.05436	1.1
128.26622	0.4
130.04120	0.5
131.04904	0.6
132.05725	0.4
133.02859	0.5
133.06468	0.4
134.03540	0.5
135.04395	0.3
137.05971	12.3
138.03133	1.0
142.02588	0.4
143.04901	1.2
145.06468	14.2
147.04381	4.3
149.05951	0.4
151.03886	2.7
151.07541	0.9
152.04660	1.7
153.05421	2.3
155.04839	0.5
155.06029	4.8
157.10130	0.5
160.05217	0.6
161.05969	0.8
165.05438	0.7
167.07027	100.0
168.07367	0.7
171.06514	1.8
172.05185	0.4
173.05966	22.4
174.06546	0.4
175.07542	1.1
176.04741	0.4
177.05309	0.4
179.07008	1.3
181.04945	31.3
185.13173	1.0
189.09081	0.4
191.07057	1.0
201.05435	0.5
203.07065	1.7
205.08574	5.0
207.10133	0.3
217.08647	0.4
229.12257	0.5
231.06554	0.9
233.08057	4.9
233.11728	0.6
235.09608	4.8
243.02979	0.4
254.21140	0.4
260.09601	0.4
265.08481	0.6
283.67499	0.4
293.08093	0.5
295.09454	0.4
297.11307	0.9
325.10678	1.1
357.13333	3.5
385.12802	18.6
387.14368	8.9
417.15381	12.3
583.21918	2.3
613.22736	33.5
614.22888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2656
Annotation	Karajinone B
Peak:m/z	Relative Intensity
51.02386	0.3
55.05496	1.4
63.06605	0.3
63.35674	0.3
67.05508	2.0
68.05814	0.4
69.07062	0.8
71.64149	0.5
75.83057	0.3
79.05499	2.3
81.03404	1.0
81.07053	1.9
83.04986	0.7
83.08612	0.6
91.05463	1.8
93.07046	2.0
95.04980	0.9
95.08631	1.6
97.10151	0.4
99.08095	0.5
100.20921	0.3
105.07021	1.2
107.04955	0.5
107.08613	1.0
109.06552	2.0
109.10136	0.9
117.07026	0.4
119.08591	1.4
121.10135	1.2
125.09642	0.4
129.07057	0.5
131.08597	0.8
133.10120	0.9
135.08009	0.4
135.11705	0.6
137.09637	0.5
143.08554	0.7
145.10129	0.6
147.04448	0.4
147.08128	0.4
149.09590	0.5
149.13342	0.3
157.10172	1.0
159.11769	0.6
163.11136	0.5
165.09062	0.4
171.11632	0.7
175.11191	0.5
193.12358	0.4
204.06618	0.6
211.13338	0.8
221.15422	0.5
227.12668	0.5
243.11501	0.3
249.10391	0.5
263.11816	0.5
285.16852	0.5
286.17255	0.4
293.21143	1.4
294.21524	1.0
296.93631	0.3
338.15302	0.4
351.16299	0.4
352.17215	0.4
365.13919	0.6
365.18192	0.4
366.14691	0.7
367.15384	0.7
367.19522	1.4
379.15433	0.5
379.19595	0.5
380.16406	1.0
381.17010	2.0
381.21033	0.5
382.17825	0.5
393.17346	0.4
395.14471	0.5
395.18677	3.9
396.19376	3.7
397.20181	1.2
407.18774	0.6
408.15472	0.6
409.15820	1.9
409.20554	1.2
410.21204	0.7
411.22119	2.3
422.21497	0.5
423.17496	2.6
423.22531	0.9
424.18777	3.8
425.19839	0.6
435.18384	0.5
437.15005	2.1
437.20782	0.6
438.20502	2.1
439.21396	4.8
449.19974	0.7
451.17157	4.4
452.17761	1.5
453.19186	1.3
455.20688	0.4
465.19443	1.5
466.19910	4.3
467.20813	3.6
479.20874	2.5
482.23145	1.4
483.23862	1.2
493.22614	1.5
495.20660	0.8
497.25385	1.3
510.22922	1.6
511.19949	0.7
512.24377	0.5
521.21918	0.7
524.20215	0.6
525.25012	9.6
535.23651	0.9
538.22119	2.2
539.23145	0.8
553.24432	17.8
554.24823	0.5
581.23267	0.6
585.26678	0.8
598.24194	0.6
613.26520	100.0
614.26904	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37579	0.4
53.03934	1.0
55.01857	1.0
55.05495	0.7
60.59195	0.5
65.03932	3.0
67.05484	1.6
69.03407	1.3
69.07050	0.6
69.54816	0.8
69.55231	2.8
70.06588	0.6
72.00829	0.3
78.04723	2.6
79.05498	2.4
81.03389	1.1
81.07056	1.1
82.04174	0.7
85.02909	2.8
87.04510	0.4
91.05476	4.0
93.03392	0.8
93.07037	0.6
94.04163	0.5
95.04967	1.8
95.08617	0.5
97.02915	0.6
97.06528	2.1
97.10134	0.6
103.05441	2.0
105.07001	1.2
106.04136	1.4
107.04957	2.7
107.08553	0.4
108.02045	0.4
109.02898	0.7
110.03639	1.3
111.04401	1.1
115.05447	5.2
117.07015	9.4
119.04951	3.0
121.06470	0.6
122.03651	0.6
123.04428	8.5
124.05200	3.2
125.05973	1.4
127.05431	1.4
128.06195	0.4
131.04874	1.2
133.02861	0.6
133.06432	0.9
134.03633	0.4
137.05971	6.8
138.03113	0.9
141.06999	0.4
142.02576	0.7
143.04936	0.9
144.05699	0.6
145.06476	14.4
147.04396	3.9
147.08096	1.0
151.03891	3.0
151.07538	0.9
152.04692	2.1
153.05458	3.6
155.04942	0.6
155.06038	4.1
155.08685	0.4
157.06541	0.5
158.94478	0.4
159.11726	0.4
161.05986	1.3
163.07574	0.6
165.05516	0.6
167.07034	100.0
168.07381	0.8
171.04384	0.6
171.06516	2.1
173.05980	21.1
175.07526	1.0
179.07010	1.4
181.04953	37.2
187.07527	0.9
190.06290	0.4
190.65395	0.5
191.07024	3.8
193.08559	0.8
199.07521	0.6
201.05501	0.9
203.07068	1.5
205.08591	5.1
207.06441	0.5
207.08194	0.6
207.10049	0.7
220.07283	0.4
231.06624	0.9
233.08073	6.2
233.11742	1.1
234.12073	0.6
235.07507	0.6
235.09641	5.4
256.83264	0.4
263.09351	0.4
265.08582	0.8
279.52393	0.4
293.08112	0.8
297.11450	0.4
301.06894	0.4
309.07513	0.4
310.08142	0.6
325.10870	1.0
327.12515	0.5
335.01538	0.4
355.11826	0.4
357.13422	3.0
367.12564	0.5
385.12805	20.6
386.13303	0.6
387.14346	7.7
403.13846	0.7
417.15454	11.7
530.24738	0.4
583.21820	2.0
595.32458	0.8
613.22797	43.7
614.22925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
51.02357	0.7
53.03932	1.7
53.29156	0.6
55.01865	4.1
55.05491	2.2
57.03429	1.0
64.32555	0.6
65.03939	4.4
65.86583	0.6
67.05496	3.3
67.51148	0.6
69.03425	4.1
69.07079	1.1
70.48411	2.4
71.01370	1.3
71.04977	0.7
77.03910	1.3
79.05489	5.9
81.03423	5.2
81.07044	2.9
81.08556	0.6
82.04164	1.0
83.08573	0.9
84.15343	0.6
85.02896	6.7
85.06499	0.9
91.00153	0.6
91.05042	0.6
91.05488	6.4
93.03375	1.4
93.07014	1.7
94.04168	1.8
95.04958	6.3
95.08583	1.0
97.02870	0.8
97.06528	11.6
98.06848	2.1
98.21416	0.8
99.04430	1.0
102.04681	0.9
103.05466	21.6
105.03374	2.9
105.07034	3.7
106.04170	0.6
107.04957	5.0
107.08546	0.7
108.02090	1.7
109.06525	3.8
110.03668	1.0
111.04417	2.2
115.05460	4.6
117.07017	4.5
118.04176	4.8
119.04917	2.7
120.05723	0.9
121.06495	2.3
121.10152	0.7
122.03654	4.6
123.04433	3.9
124.05196	0.7
125.05965	2.8
125.09633	0.6
127.03911	1.8
129.06993	1.3
130.04152	1.5
131.04926	30.5
131.08536	1.0
132.05745	1.1
133.02853	4.3
133.06490	4.2
134.03642	1.0
135.04417	1.6
135.08011	2.3
137.05966	72.1
138.03102	1.0
138.06279	1.5
139.03859	0.8
140.04640	1.0
141.05478	2.3
143.04939	2.0
145.04950	0.8
145.06470	5.2
146.03636	1.2
147.04372	2.0
147.08052	1.3
148.05185	10.6
149.05989	3.7
151.03897	81.1
151.04987	5.2
151.07515	2.0
152.04222	1.0
153.05457	5.4
154.06183	0.7
154.53477	0.6
155.07040	2.1
157.06480	2.2
157.10071	0.8
159.03015	0.7
159.04398	1.5
159.07985	0.9
160.05232	3.1
161.06006	4.1
162.06738	0.8
163.07532	23.6
165.05449	9.1
167.07040	15.7
171.04347	1.3
171.06529	2.4
173.05971	5.6
174.06679	0.9
175.03970	0.7
175.07556	6.0
176.04657	3.1
176.06346	0.6
177.05501	4.0
177.09047	1.2
178.06358	0.8
179.06999	1.7
179.08478	1.0
180.07776	2.6
181.04955	53.3
187.07544	4.0
189.05394	1.3
189.09058	2.8
191.07018	100.0
192.07376	1.0
193.04942	4.5
193.08595	2.7
195.06540	1.6
195.08145	1.1
197.05904	0.7
197.07980	1.3
198.06511	0.7
199.07588	1.9
201.05473	1.4
203.07019	4.8
205.06673	1.3
205.08595	4.9
207.06442	3.5
207.08218	1.2
207.10040	1.3
208.07277	6.5
209.08090	4.4
211.07489	1.3
213.09120	1.1
215.07036	0.7
215.10725	1.1
217.08525	2.0
219.08211	0.9
219.10114	1.5
221.08005	0.9
223.07616	0.7
223.09631	1.6
225.07507	11.8
226.08340	3.6
227.06998	1.0
231.06627	1.1
233.05933	1.2
233.07988	4.3
233.11682	8.5
234.06779	1.4
234.12042	8.6
235.07536	1.3
235.09628	4.3
236.08177	0.7
237.09120	1.3
239.10648	0.9
241.08641	0.8
249.09077	2.0
251.06847	1.0
259.09705	0.9
262.06296	0.7
263.06702	0.6
263.09125	10.0
265.08514	1.4
267.10046	0.9
267.15768	1.5
277.08560	1.7
279.06863	0.8
279.10254	0.9
293.08069	1.2
294.09186	0.9
295.09659	2.1
297.11133	0.9
307.09598	1.5
309.11389	1.2
311.16440	1.7
312.16699	1.7
314.11386	0.7
323.09109	0.7
325.10776	0.9
327.12195	3.9
329.10294	1.1
329.13867	2.6
329.17487	2.3
330.17795	2.3
337.10760	1.1
341.13806	0.8
351.12280	1.4
355.11761	8.4
357.13336	1.0
359.15024	1.5
369.13284	2.5
387.14380	19.2
417.15546	0.7
519.86761	0.7
521.28693	0.8
563.19031	0.7
595.32208	2.6
613.22839	0.9
613.33173	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	613.2276
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03930	0.6
55.01852	0.5
65.03932	2.3
67.05482	0.9
69.03426	0.7
70.06593	0.3
71.65591	0.5
71.65985	0.5
73.02895	0.3
75.53374	0.3
78.04708	2.6
79.05489	2.2
81.03391	0.9
81.07038	0.7
82.04161	0.8
85.02910	1.5
85.18129	0.3
91.05472	4.7
93.03392	0.6
94.04180	0.6
95.04972	1.4
96.05725	0.4
97.02899	0.4
97.06496	1.0
103.05461	2.0
105.07019	0.6
106.04133	1.7
107.04953	2.6
108.02088	0.5
110.03619	1.2
111.04425	1.1
115.05440	5.2
117.07009	9.1
119.04932	3.6
121.06423	0.3
122.03642	0.8
123.04427	8.0
124.05208	2.8
125.05971	0.8
127.05409	1.3
129.06915	0.3
130.04094	0.3
131.04901	0.9
133.02852	0.3
134.03569	0.5
135.04384	0.6
137.02361	0.3
137.05963	6.5
138.03075	0.7
142.02577	0.7
143.04915	0.6
144.05727	0.5
145.06474	15.6
147.04410	3.7
147.08009	0.6
148.05109	0.3
149.05936	0.3
151.03894	2.7
151.07541	0.5
152.04680	2.3
153.05438	2.8
155.04868	0.4
155.06006	4.1
160.05164	0.7
161.06004	0.7
165.05470	0.5
167.07030	100.0
168.07347	0.8
171.06522	2.3
172.05223	0.7
173.05974	21.7
174.06491	0.4
175.07491	1.0
177.05476	0.4
179.07039	1.4
181.04947	32.1
182.05438	0.3
191.07014	1.6
191.74518	0.3
193.08638	0.6
199.07535	0.3
201.05605	0.7
203.07066	1.3
205.08582	5.3
207.06442	0.3
221.08017	0.4
231.06468	0.7
233.08038	5.2
235.07448	0.6
235.09648	5.1
237.15543	0.3
265.08521	0.5
280.07187	0.3
293.08191	0.5
295.09564	0.4
297.11298	0.6
303.07422	0.6
310.08456	0.5
325.10754	0.8
355.11679	0.7
357.13303	3.0
385.12802	18.5
386.13361	0.9
387.14371	7.1
387.19128	0.6
417.15408	11.7
487.56076	0.4
515.16779	0.3
533.22723	0.3
549.88379	0.3
583.21820	2.3
589.36230	0.3
613.22791	40.1
614.23535	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	1.3
55.05511	14.0
57.03439	3.6
57.07066	3.0
58.24969	0.6
65.03949	1.6
67.05507	26.6
69.07069	11.9
71.04999	1.9
71.08628	3.2
71.42268	1.4
71.42602	0.9
79.05491	14.4
81.03420	1.1
81.07061	28.1
83.04942	0.9
83.08604	6.8
83.08997	0.8
85.06567	1.7
89.64908	0.8
91.05475	14.5
93.07050	18.7
95.04980	2.0
95.08606	18.4
97.06551	2.3
97.10169	4.5
99.08097	0.8
105.07033	17.0
107.08594	12.2
109.06521	0.9
109.10146	7.8
111.08083	1.2
113.09610	0.8
115.05447	1.2
117.07008	9.1
119.08576	12.4
121.10149	6.5
123.08096	1.3
123.11710	2.1
125.09594	1.1
125.90442	0.7
128.06244	1.0
129.07001	8.9
130.07738	1.0
131.08563	16.5
133.10138	7.7
135.11720	5.2
137.13237	0.9
141.06990	2.8
142.07779	1.6
143.08556	10.7
145.10118	14.2
147.11665	6.0
149.09674	0.9
149.13287	2.5
151.11177	0.8
155.08563	6.1
156.09401	1.1
157.10126	10.7
159.11702	9.9
161.13316	3.1
163.14874	0.9
167.08591	2.3
169.10121	7.8
171.11682	9.1
173.13260	6.2
175.14870	2.3
177.16370	1.1
179.14333	2.4
181.10161	3.5
183.11702	7.6
185.13261	7.5
187.14865	4.4
189.16408	1.5
193.10165	1.0
195.11720	3.8
197.13249	5.5
199.14861	5.2
201.16455	2.7
203.18065	1.6
205.19453	1.3
207.11652	1.1
209.13333	2.6
211.14914	3.4
213.16519	2.8
215.17964	2.1
221.13315	1.4
223.14845	2.1
225.16415	2.5
227.18013	3.0
229.19609	1.9
235.14845	1.3
237.16476	1.9
239.17973	2.1
241.19699	1.5
243.21146	2.1
251.17781	1.0
253.19702	1.4
257.18811	0.8
259.20544	1.1
265.19476	1.1
269.19247	0.9
269.22455	1.1
275.20135	2.4
277.21701	1.2
279.21066	1.1
311.23486	1.1
339.26944	1.6
353.28510	1.9
367.30188	1.7
381.31934	1.3
381.92319	0.9
395.33551	1.2
423.32272	0.9
449.34204	1.6
477.19470	1.2
519.41882	9.1
537.42969	4.9
541.38989	1.1
555.42389	1.0
575.44598	1.4
593.45709	9.4
611.46722	100.0
612.47229	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	613.1392
Annotation	Myricetin 3-sambubioside
Peak:m/z	Relative Intensity
51.44988	0.5
55.01851	1.2
57.03429	2.9
59.63773	0.4
60.22464	0.4
61.02922	2.3
68.99776	0.7
69.03425	3.9
70.06587	9.6
70.45377	1.2
70.45773	0.9
71.01329	0.6
71.04977	1.3
72.08155	3.5
73.02913	11.6
77.15701	0.4
81.03399	1.3
85.02901	8.9
86.09711	0.7
87.04460	1.0
87.09299	0.4
91.32947	0.4
97.02898	6.1
103.03918	0.6
109.02893	0.8
115.03906	2.0
121.02876	0.9
123.04471	0.6
127.03892	2.8
129.10262	0.5
133.04926	2.2
137.02344	4.0
137.05992	0.6
145.04942	2.1
147.04285	0.6
152.54999	0.4
153.01828	2.1
163.03888	0.7
169.01280	2.5
169.13365	2.8
173.09265	0.9
181.01314	1.4
185.00888	0.5
197.12877	2.0
199.03899	1.5
201.08763	0.6
203.03323	0.7
214.09966	0.6
217.04980	1.6
245.04437	2.7
263.05457	0.9
273.03894	3.4
301.03445	2.9
302.03931	1.4
303.04977	5.6
304.05307	2.1
305.05573	1.9
314.20776	4.2
319.04474	100.0
320.04794	2.2
381.59814	0.5
451.09091	0.6
481.09476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69647	1.1
53.03944	3.0
53.68229	1.0
55.05509	15.2
55.91447	1.4
57.03438	6.7
57.07069	2.8
58.72304	1.1
64.53557	1.1
65.03926	2.3
67.05504	40.1
69.07072	15.6
70.77611	2.7
70.77988	1.9
71.04991	2.1
71.08640	1.7
72.54025	1.1
79.05492	30.5
81.07053	43.3
83.05000	1.5
83.08613	7.9
85.06531	1.6
91.05474	27.9
91.06017	2.2
91.49074	1.3
93.07041	38.6
95.04938	3.2
95.08604	33.7
97.06525	2.5
97.10177	3.5
99.08153	1.4
105.07027	29.1
107.08588	21.5
109.10159	14.5
109.10827	1.5
111.08137	2.6
115.05455	2.0
116.53851	1.5
116.58525	1.2
117.07006	10.1
119.08573	23.1
121.10130	16.5
123.08109	1.5
123.11725	5.5
125.09583	1.6
128.06232	1.3
129.06999	8.3
130.04231	1.2
131.08566	21.6
131.09506	1.7
133.10126	19.6
135.11688	11.1
137.13297	1.4
140.47061	1.1
141.07007	2.9
142.07872	1.8
143.08571	14.2
145.10126	21.8
147.11681	15.8
149.13280	7.5
155.08582	6.5
156.09425	1.4
157.10138	13.0
159.11682	15.5
161.13248	13.2
163.14824	1.7
167.25105	1.4
169.10114	8.4
171.11700	13.3
173.13223	12.1
175.14815	7.7
177.12814	1.5
181.10118	1.8
183.11745	5.5
185.13242	10.9
187.14757	6.5
189.16388	2.2
195.11671	2.3
197.13264	5.7
199.14864	7.3
201.16403	5.1
209.13361	2.1
211.14877	3.3
213.16486	5.0
215.17987	2.6
223.14896	2.1
225.16400	2.2
227.18002	1.8
229.19563	2.0
231.17476	1.5
231.21204	2.0
239.18150	2.9
241.19499	9.2
257.19052	4.6
259.20554	17.9
261.22260	3.0
283.20306	1.4
291.20984	1.5
325.25189	1.9
329.80667	1.3
333.24295	11.0
335.25797	17.8
337.27371	2.0
339.26669	1.5
353.28360	1.7
437.33948	1.4
501.41217	3.0
519.42114	9.3
537.42957	4.2
555.41467	1.2
593.45685	9.1
611.46674	100.0
612.46844	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	611.1606
Annotation	Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
52.76882	0.1
55.01876	0.9
57.03432	1.7
59.04993	0.2
61.02688	0.1
61.02928	1.6
69.03087	0.2
69.03434	2.9
69.56866	1.1
69.57282	0.3
70.06586	0.4
71.01355	0.4
71.04974	0.5
73.02921	8.0
81.03416	0.8
85.02908	6.5
86.09695	0.2
87.04481	0.3
91.03954	0.3
95.04968	0.4
97.02892	3.7
97.06493	0.3
99.04435	0.3
102.85773	0.2
103.03925	0.3
109.02881	0.7
115.03931	2.0
121.02840	0.6
123.04433	0.6
124.01562	0.2
125.02342	0.7
127.03935	1.4
133.04959	1.7
137.02342	1.7
139.03960	0.2
145.04944	1.6
149.02351	0.3
151.03897	0.7
163.03906	0.6
163.05951	0.2
167.03392	2.6
179.03406	1.4
181.04903	0.2
183.04419	0.3
187.07512	0.2
197.04430	0.5
200.04730	0.2
209.04401	0.2
213.05533	0.2
215.07004	1.4
219.02837	0.2
228.04153	0.4
233.08072	0.3
243.06525	2.5
261.07593	0.4
271.06036	1.8
273.03909	0.3
274.04727	2.4
288.06253	0.6
299.05563	0.7
302.04236	2.0
303.04865	0.4
303.34424	0.2
317.06561	100.0
318.06909	1.7
329.06525	0.3
387.29300	0.2
465.19736	0.2
479.11862	0.4
611.30719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04450	4.4
53.03934	6.1
55.01860	6.9
55.05494	17.4
56.65421	4.9
57.03434	8.7
57.07074	6.6
67.05497	29.5
69.03430	29.9
69.07055	31.2
70.06574	15.5
71.04994	5.9
71.65657	9.6
73.02895	14.0
79.05486	31.5
81.03418	26.2
81.07050	100.0
83.08610	11.5
85.02893	59.7
85.06524	37.9
86.09695	7.2
87.00822	23.1
91.05478	14.7
93.07039	30.4
95.08599	77.2
97.02892	19.0
97.05987	5.1
97.06520	33.1
97.10139	9.7
99.08079	23.9
105.01864	12.6
105.07024	19.3
107.08598	33.4
109.02857	15.7
109.10171	28.8
111.08080	11.4
111.11707	7.3
113.09681	7.0
117.01852	5.3
117.07008	5.2
119.08585	10.1
121.10134	33.4
123.04466	5.8
123.11671	30.0
125.09563	7.1
127.03880	25.0
133.06531	9.7
133.10138	12.5
135.11696	19.4
136.38559	5.6
137.05968	10.6
137.13234	16.0
145.04916	14.8
147.04419	6.6
149.13214	23.7
151.03888	5.8
151.14732	7.9
154.19498	4.8
159.02907	9.6
159.04358	6.8
161.05957	8.4
161.13234	7.1
163.03877	11.8
163.14792	15.1
167.07013	24.9
173.02319	8.9
177.16356	26.9
181.04961	6.0
185.24023	6.6
187.03929	5.9
191.71344	5.0
193.08604	10.1
195.17448	23.6
213.18488	81.1
215.07045	23.9
231.05121	7.3
233.08055	5.7
265.04932	5.1
277.97974	5.2
291.26859	25.1
293.04434	5.4
297.27780	12.6
303.04980	8.5
309.27869	39.4
317.06509	84.4
327.28793	35.0
391.11725	11.6
419.11200	37.4
582.26373	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	611.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88779	2.9
53.03936	5.9
55.01863	5.4
55.05511	10.2
57.03435	5.7
57.07050	5.9
61.02927	6.9
63.90450	3.1
67.05492	27.8
69.03423	22.9
69.06718	3.4
69.07072	40.4
70.06592	7.7
71.04990	8.7
71.65157	4.8
73.02910	8.8
78.11596	3.1
79.05487	17.6
81.03415	22.2
81.07050	100.0
81.07515	6.4
83.04986	4.0
83.08610	14.1
85.02895	43.0
85.06538	58.6
86.06851	3.0
86.09668	5.4
87.00829	13.0
87.66345	3.0
91.05428	8.5
92.75583	3.3
93.07047	28.5
95.04977	4.2
95.08599	71.3
95.39998	3.1
97.02893	15.6
97.06535	22.6
97.10151	9.1
99.04446	7.4
99.08089	22.8
105.01873	11.3
105.07043	6.8
107.08582	34.6
109.02875	9.7
109.10161	40.2
111.04448	3.4
111.08076	10.9
111.11723	9.4
113.09607	6.0
113.41985	3.6
119.08563	4.9
121.10172	24.9
123.04415	3.3
123.11680	35.5
125.09608	5.0
127.03878	24.4
127.11183	3.7
131.08516	3.3
133.10097	7.1
135.11664	21.8
137.06001	9.6
137.13258	13.4
139.11153	6.4
145.04945	9.5
147.11691	6.5
149.13231	23.5
151.14839	3.7
153.12753	7.8
163.03899	8.5
163.14816	14.8
167.07025	14.2
167.08276	3.2
173.02301	4.1
175.14795	4.0
177.16406	5.8
181.04996	9.3
189.09038	5.9
191.17938	9.2
205.19754	3.6
209.19017	10.3
211.07652	3.2
215.07016	6.8
217.19481	3.3
227.20030	23.6
231.05051	5.5
233.11760	10.5
249.05701	3.7
273.25958	6.5
279.26788	4.7
291.26700	24.8
297.27902	13.1
303.05032	15.5
309.27853	68.1
309.31226	5.8
317.06503	31.1
327.28922	59.2
419.11365	22.4
471.38205	4.7
509.14706	4.0
513.16864	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29287	0.2
55.01861	0.4
57.03434	2.2
61.02909	0.8
68.99814	0.3
69.03443	1.1
69.38081	0.2
70.64265	0.2
70.78888	0.8
71.04990	10.4
73.02907	0.5
75.04472	0.5
81.03405	0.7
83.04967	0.5
85.02901	15.8
87.04461	0.4
91.03915	0.3
93.03379	0.3
97.02898	1.3
99.04472	0.3
109.02875	0.5
111.00776	0.6
111.04429	0.4
121.02845	0.9
123.04440	0.3
124.79546	0.2
127.03898	0.7
129.05489	3.5
137.02339	2.3
145.04965	0.7
147.06502	1.0
149.02275	0.3
153.01826	2.9
161.05931	0.3
163.03891	0.5
165.01820	1.7
183.02853	0.7
183.04305	0.3
201.05450	1.3
228.03978	0.2
229.04976	3.2
247.05904	0.7
257.04431	2.4
274.04761	0.7
285.03992	0.9
287.05475	0.9
303.04977	100.0
304.05347	2.0
315.04968	0.7
318.05612	0.2
345.05963	0.9
465.10382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03939	0.3
54.65320	0.1
55.01876	0.7
57.03183	0.2
57.03436	1.8
57.04507	0.1
59.05012	0.1
61.02926	1.7
65.03943	0.2
69.03427	2.8
70.02759	0.7
71.01335	0.4
71.04977	0.2
73.02917	9.0
81.03427	0.7
85.02904	6.1
87.04459	0.4
91.03967	0.3
93.03387	0.3
95.04972	0.2
97.02290	0.3
97.02888	3.8
99.04424	0.2
103.03905	0.2
109.02203	0.1
109.02843	0.7
115.03923	2.1
121.02844	0.7
123.04436	0.9
124.01543	0.2
125.02332	0.6
127.03913	1.5
133.04974	1.9
137.02338	2.1
139.03864	0.2
141.05466	0.2
145.02840	0.1
145.04950	1.9
149.02332	0.4
151.03902	0.9
163.03885	0.4
163.05983	0.2
167.03407	2.4
167.29411	0.1
179.03395	1.2
180.04184	0.2
183.04381	0.3
183.98613	0.1
187.07561	0.3
197.04491	0.4
200.04781	0.3
209.04477	0.3
215.07011	1.0
219.02945	0.2
223.05991	0.1
228.04160	0.5
229.04935	0.2
233.08037	0.3
236.18326	0.1
241.07315	0.2
243.06525	3.1
257.04236	0.2
261.07553	0.4
271.05994	1.5
273.03928	0.4
274.04697	2.2
288.03357	0.1
288.06152	0.8
289.06830	0.2
299.05539	0.7
302.04184	1.9
317.06543	100.0
318.06897	1.7
325.19586	0.1
359.07700	0.2
479.11514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42088	2.1
55.01862	3.8
57.03434	2.5
65.03919	3.1
66.47736	2.2
67.05505	3.4
69.03412	8.1
70.70286	7.2
73.02911	2.5
79.05481	3.0
81.03417	10.1
85.02905	29.9
87.00811	9.3
91.05466	13.4
94.04189	2.5
95.04966	5.8
95.79917	1.8
97.02879	12.5
97.06546	5.7
99.04449	5.5
105.01859	9.8
105.07027	11.2
107.08610	2.2
109.02873	8.6
110.59195	2.0
111.04400	6.4
113.62406	2.1
119.04945	14.2
122.03636	3.9
125.05973	6.4
126.52740	2.5
127.03917	24.6
128.06163	2.4
129.01830	2.0
133.06471	9.0
137.05972	100.0
140.78293	2.0
143.08569	12.3
145.04951	7.4
145.06444	3.7
151.03941	13.8
151.07541	81.1
153.05441	13.1
159.02924	6.3
163.07628	2.0
165.09105	19.0
167.06999	3.8
169.98862	2.5
171.08025	13.7
175.07452	2.4
181.04900	4.1
181.08661	2.1
188.08327	19.7
203.10658	79.0
207.41211	2.2
221.11723	23.2
227.10695	3.6
231.05031	4.9
303.04770	2.5
327.15915	80.0
345.16992	19.6
351.15961	5.3
355.06628	2.5
393.17047	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	611.16
Annotation	Isorhamnetin 3-vicianoside
Peak:m/z	Relative Intensity
55.01853	1.1
55.59298	0.4
57.03435	2.0
59.04999	0.4
60.49406	0.3
61.02926	2.6
67.05492	0.8
68.99803	0.4
69.03423	4.0
69.07075	0.7
70.06586	0.6
70.55681	1.2
71.01367	0.4
71.04995	1.8
73.02916	10.8
79.05485	0.5
81.03397	1.2
81.07049	0.9
85.02414	0.7
85.02900	10.3
85.06533	1.4
87.04454	0.6
91.03944	0.3
92.02605	0.7
93.03389	0.6
93.07042	0.5
95.08627	0.9
97.02887	4.9
97.06491	0.5
99.04469	0.8
107.04993	0.4
107.08555	0.6
109.02857	1.1
109.10175	0.6
110.10430	0.4
115.03939	3.1
121.02847	1.1
121.10165	0.4
126.03121	0.4
127.03889	2.2
133.04991	2.4
135.11671	0.5
135.32001	0.4
137.05951	1.0
139.03902	0.9
145.04962	3.0
151.03897	0.7
153.01817	5.4
159.02979	0.4
162.61125	0.3
165.01920	0.5
173.02393	0.4
201.05476	0.5
201.98892	0.3
203.03453	0.6
205.13103	0.4
228.04213	1.0
229.04987	2.6
236.13510	0.4
245.04536	0.8
246.05237	1.4
257.04395	2.3
273.03937	1.4
274.04718	4.1
284.03113	0.4
285.03989	3.4
287.05466	0.5
302.04242	10.8
303.04956	7.9
317.06546	100.0
318.06750	2.7
359.07620	0.8
451.03235	0.4
461.10712	0.4
611.22754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34514	0.4
57.03436	1.7
61.02927	0.7
69.03423	1.3
70.13987	1.9
71.04993	12.2
75.04482	0.7
78.44958	0.4
81.03428	0.5
83.04989	0.9
85.02904	15.9
87.04489	0.5
97.02882	1.4
109.02851	0.6
111.00792	0.8
121.02891	0.8
127.03913	0.8
129.05481	3.5
137.02332	2.6
145.04977	0.5
147.06544	1.0
153.01852	2.8
161.36037	0.3
165.01819	1.2
201.05475	1.1
206.57417	0.4
229.04973	3.4
233.69794	0.4
247.06065	0.8
257.04504	1.9
274.04691	0.8
285.04074	0.4
287.05481	0.5
301.68900	0.4
303.04996	100.0
304.05350	1.6
345.06223	0.5
465.09726	0.4
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
57.03435	2.0
61.02911	1.5
71.04990	11.4
71.44285	0.5
73.02906	1.0
75.04450	0.4
81.03381	0.3
83.04979	0.8
85.02899	13.7
87.04422	0.3
91.03952	0.8
97.02869	1.3
99.04430	0.4
109.02855	0.4
110.69394	0.3
111.00800	0.4
121.02833	0.7
122.38960	0.4
127.03891	0.7
129.05478	3.9
137.02303	2.7
142.93370	0.3
145.04883	0.5
147.06516	1.0
149.02269	0.4
153.01799	3.2
163.03851	0.7
165.01851	1.9
173.06042	0.5
183.02945	0.4
184.70515	0.3
201.05492	1.7
201.07187	0.3
217.50259	0.3
229.04964	4.6
247.06012	0.9
257.04443	3.0
274.04694	1.0
285.03934	1.4
303.04977	100.0
304.05215	2.0
369.05771	0.3
449.10370	0.4
465.10660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19152	0.4
53.03931	1.5
55.01866	1.8
55.05263	0.9
55.05508	13.9
56.05856	0.5
56.76186	0.6
57.03431	4.8
57.07068	1.7
65.03934	1.1
67.05499	25.7
69.07060	13.3
69.52618	4.3
71.04985	1.3
71.08642	0.6
79.05487	16.6
79.80326	0.5
81.07050	23.4
83.04960	1.0
83.08611	7.5
85.06535	1.4
91.04953	1.0
91.05474	13.4
93.07034	16.1
95.04951	2.0
95.08600	19.5
97.06528	2.3
97.10159	3.8
99.08086	0.8
103.05463	1.1
105.07024	14.1
107.08587	10.9
109.06526	1.4
109.10155	9.8
111.08074	1.5
111.11684	0.6
113.42753	0.5
115.05418	1.6
117.06996	8.4
119.08570	12.8
121.09270	0.8
121.10132	7.3
123.08058	1.2
123.11690	1.7
125.09624	1.9
128.06171	3.0
129.06993	11.8
130.07805	0.8
131.08554	13.7
132.08926	0.5
133.10114	11.7
135.11697	4.3
137.13246	1.1
141.06970	5.3
142.07776	3.2
143.08549	15.0
144.09186	0.4
145.10114	14.1
147.11682	5.8
149.13251	2.4
153.06982	2.1
154.07785	1.9
155.08545	14.6
156.09322	1.7
157.10112	14.7
159.11670	9.5
161.13278	3.4
163.14795	1.1
165.07004	1.8
166.07814	1.7
167.08565	6.5
168.09348	2.2
169.10124	15.6
170.10756	1.1
171.11668	12.1
171.81436	0.6
173.13237	5.7
175.14830	2.1
177.16385	0.6
177.37531	0.5
179.08562	2.6
180.09395	1.5
181.10110	9.4
182.10925	1.6
183.10040	0.9
183.11671	15.0
184.12411	0.5
185.13237	9.5
187.14822	3.4
189.16359	1.3
193.10136	2.8
194.10922	0.7
195.11685	10.2
196.12421	0.9
197.13242	13.2
198.13931	0.5
199.11230	0.6
199.13187	0.7
199.14809	6.1
201.16338	2.4
205.10103	1.2
206.10841	0.6
207.11642	3.6
208.12419	0.9
209.13269	8.7
210.13876	0.7
211.14812	9.6
213.12946	0.6
213.14777	0.7
213.16431	4.6
215.17909	0.5
219.11716	0.9
221.13220	3.8
222.13925	0.6
223.14795	6.4
224.15646	0.5
225.16365	5.6
227.18112	2.6
229.19603	0.7
233.13268	1.6
235.14801	2.3
237.16396	4.9
239.17932	3.3
241.19572	1.8
243.17654	0.5
247.14703	1.0
249.16345	2.0
251.17986	3.0
253.19588	1.7
257.19177	1.0
261.48611	0.6
263.17975	1.3
265.19516	1.7
267.21176	1.3
277.19479	1.6
279.20917	0.7
281.22617	0.8
287.23318	0.5
293.22797	0.9
295.20407	0.9
297.22156	0.9
301.21490	0.6
305.22549	0.7
307.20456	0.8
309.21841	0.7
321.22153	0.7
323.23544	1.1
325.21689	0.9
325.25256	0.7
327.23328	0.9
335.23801	1.8
337.25168	1.4
339.23203	0.8
341.24670	1.0
347.23770	0.8
349.25287	1.2
351.26730	1.4
353.24744	0.9
354.24875	0.5
361.25171	0.7
363.26794	0.8
365.24438	0.9
365.28485	1.5
367.26358	0.8
375.26956	0.8
377.28632	1.3
379.30142	1.4
381.27722	1.1
387.27313	0.6
391.29907	1.5
393.31833	1.0
403.29794	0.7
407.29153	1.2
419.33411	1.1
421.31058	0.8
423.33066	0.9
429.31244	1.3
435.32498	1.3
447.32520	1.3
449.34253	1.0
475.35223	0.7
497.36829	0.8
499.39337	1.9
517.40369	16.9
518.40674	1.1
521.36407	0.7
525.35828	0.8
535.41510	8.1
539.37378	1.1
541.38892	0.7
547.41779	0.5
553.41815	0.8
555.41803	0.8
567.40356	0.7
573.43042	2.2
591.43988	16.3
592.44391	0.9
609.45056	100.0
610.45673	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02368	1.1
52.16194	0.9
53.03946	2.1
55.01881	2.5
55.05513	12.8
57.03429	4.0
57.07082	2.2
59.63024	0.8
63.85855	0.8
65.02461	0.8
65.03938	1.1
65.39014	1.1
67.05509	28.8
69.06722	1.4
69.07071	14.4
71.05022	1.2
78.00771	0.9
79.05497	19.7
81.07061	28.2
83.05000	1.3
83.08626	7.0
91.05485	22.3
91.06015	1.5
93.07045	20.2
93.07629	1.2
95.04978	2.6
95.08610	23.5
97.06544	3.0
97.10168	3.1
99.08094	1.0
105.07036	17.7
107.05032	0.9
107.08595	12.3
109.10155	9.3
111.08093	1.8
117.07028	10.6
119.08589	16.7
119.09463	1.0
121.06549	0.9
121.10159	9.2
123.08076	0.9
123.11700	1.5
128.06255	2.7
129.06996	9.3
130.07693	1.1
131.08577	14.1
133.10127	13.4
135.11710	5.7
137.13301	1.1
141.07007	5.0
142.07834	2.4
143.08565	11.5
144.09351	1.1
145.10124	14.4
147.11667	7.3
149.09644	1.2
149.13269	3.1
154.07790	1.5
155.08559	11.5
156.09348	1.3
157.10129	12.3
158.10793	0.9
159.11728	10.2
161.13252	4.7
163.11241	1.6
165.07089	1.3
167.08549	5.0
168.09320	1.2
169.10139	16.4
170.10960	1.8
171.11685	12.7
173.13284	5.9
175.14812	2.0
179.08612	1.3
179.14462	1.2
181.10120	7.6
182.10938	1.5
183.11711	13.5
185.13249	10.7
185.34724	0.9
187.14893	3.8
189.16351	1.3
193.10188	2.2
195.11638	6.8
197.13275	10.2
199.13289	1.3
199.14801	6.2
201.16374	1.8
207.11736	2.8
209.13223	6.5
211.14842	5.3
211.16493	0.9
213.16434	2.6
219.11775	1.3
221.13266	2.4
223.14893	4.8
225.16368	4.8
227.18115	2.4
235.14783	2.6
235.16986	1.2
237.16411	2.8
239.18050	2.8
241.19693	1.5
249.16309	1.1
251.18130	1.8
253.19676	2.0
257.19125	1.6
265.19434	1.0
270.89014	1.0
275.20166	5.0
279.21170	1.7
295.20422	1.0
297.22095	1.3
299.23499	1.3
309.22165	1.0
311.24045	0.9
313.21786	1.0
323.23651	1.2
337.25436	1.1
340.11380	1.0
349.25439	1.0
351.26907	2.3
355.26300	1.1
379.30508	1.1
381.27448	1.0
393.31897	1.3
421.30862	1.0
429.31442	1.5
433.20642	1.0
447.32364	1.5
487.34763	1.2
517.40240	9.1
535.41479	5.9
539.37860	2.0
549.24939	3.4
573.43195	2.4
591.44000	8.2
609.27502	5.3
609.45184	100.0
610.27429	2.2
610.45538	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02306	0.4
53.03938	1.4
55.01864	1.9
55.05511	14.8
57.03435	4.0
57.07065	2.0
65.03938	1.6
67.05503	27.3
69.07066	14.1
71.04989	1.7
79.05487	18.3
81.07054	25.8
81.49906	0.4
83.04985	1.3
83.08613	7.9
85.06540	1.3
91.05476	14.1
93.07040	19.9
95.04972	2.3
95.08604	20.6
97.06529	2.8
97.10174	4.6
99.08083	0.8
103.05431	0.5
105.04495	0.6
105.07027	17.8
107.08586	12.0
109.06517	1.1
109.10159	9.5
111.08060	1.2
115.05453	2.2
116.06237	0.6
117.07004	9.6
119.08578	16.0
121.10139	9.4
123.08098	1.3
123.11713	2.7
125.09639	2.1
127.11214	0.6
128.06227	3.2
129.06145	0.3
129.07002	14.0
130.07774	1.2
131.08565	15.4
133.10129	12.6
135.08078	0.7
135.11685	5.4
137.09607	0.6
137.13310	1.0
141.06985	5.7
142.07776	3.5
143.08554	16.1
145.10115	15.6
147.11681	7.8
149.09688	0.5
149.13281	2.6
153.07013	1.3
154.07793	1.5
155.07233	0.5
155.08545	13.9
156.09399	2.4
157.10126	15.1
159.11681	9.4
161.09656	0.5
161.13240	3.3
163.11179	0.4
163.14835	1.0
165.07051	1.4
166.07808	1.2
167.08560	5.7
168.09378	2.0
169.10120	17.4
170.10910	0.9
171.08270	0.5
171.11684	13.9
171.13132	0.8
173.13266	6.9
175.14841	1.9
177.16466	0.5
179.08586	2.7
180.09393	0.9
181.10139	9.3
182.10915	2.0
183.11691	15.6
184.12428	0.8
185.11650	0.5
185.13258	9.1
187.14799	3.7
189.16383	1.1
193.10152	3.4
194.10921	1.3
195.11679	8.4
196.12425	0.9
197.11458	0.7
197.13252	13.3
198.13968	0.7
199.13205	1.0
199.14839	6.5
201.16379	2.0
203.17966	0.6
205.10144	0.9
207.11697	3.7
208.12451	0.9
209.13261	10.3
211.14825	9.2
213.14671	0.6
213.16423	4.8
215.17882	0.8
219.11763	1.1
221.13338	4.1
222.14020	0.6
223.14813	6.2
225.16383	5.9
227.18105	3.4
233.13264	1.3
235.14890	2.7
237.16386	4.9
239.14188	0.5
239.18001	3.9
241.19664	2.1
247.14905	1.0
249.16455	2.0
251.17938	3.0
253.19496	1.8
257.18991	0.9
259.20593	0.7
261.16379	0.9
263.17981	1.4
265.19519	2.3
267.21198	1.0
271.20526	0.6
275.20093	1.7
277.19495	1.1
279.20996	0.7
281.19183	0.6
281.22543	0.7
283.20572	0.7
285.22049	0.5
291.21036	0.8
293.18991	0.5
293.22598	0.6
295.20566	0.6
297.22076	1.3
299.20093	1.2
305.22479	0.6
307.20660	0.9
307.24081	0.7
309.22028	1.1
311.20203	0.8
311.23804	1.1
313.21683	0.5
313.25131	0.5
319.20798	0.6
321.22162	1.4
323.23746	1.8
325.21835	0.5
325.25397	1.0
327.23294	0.7
335.23856	1.5
337.25372	1.8
339.26822	0.8
341.24936	0.7
349.25256	1.6
351.26715	2.6
355.26370	1.0
361.25150	0.8
363.26816	1.3
365.24478	0.8
365.28473	1.8
369.27695	0.8
375.26422	0.6
377.28345	0.9
379.25995	0.6
379.30276	1.2
383.29907	0.5
391.30099	1.8
393.27304	0.8
393.31674	1.2
403.30023	0.7
405.31778	0.6
409.31058	0.9
411.28851	0.8
419.33670	0.5
429.31479	0.6
431.32697	0.6
433.30957	0.7
435.32581	0.6
437.34222	0.6
437.76093	0.5
447.32574	2.1
449.34259	1.0
461.33893	1.2
465.33490	0.6
475.35175	0.8
487.34485	0.7
495.34814	0.7
499.39429	1.4
501.35837	0.7
511.37695	0.7
515.37762	0.6
517.40430	15.8
521.35962	0.9
527.37506	0.6
535.41553	8.0
539.37244	1.3
540.38300	0.6
541.38989	0.6
553.42072	1.1
555.41779	0.6
565.42932	0.5
573.43048	2.4
591.44055	16.2
592.43982	0.7
609.45111	100.0
610.45587	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.00966	0.2
55.01866	0.5
55.05504	1.1
59.77832	0.3
60.29646	0.2
67.05224	0.2
67.05508	2.8
69.07054	1.0
71.08617	0.2
71.38195	0.4
79.05491	2.0
80.62053	0.2
81.03409	0.3
81.07052	2.5
83.02312	0.2
83.08621	0.4
91.05479	1.6
93.07038	2.1
95.04956	0.4
95.08602	1.9
97.06549	0.5
97.10134	0.3
99.10387	0.3
105.07040	1.5
107.04948	0.4
107.08588	1.3
109.10136	0.8
117.07004	0.8
119.08572	1.0
120.92422	0.3
121.10148	0.9
123.11816	0.2
129.07004	0.6
131.08589	1.3
133.10152	1.5
135.11676	0.8
141.07042	0.4
143.08549	0.7
145.10121	1.2
147.11687	0.3
149.09602	0.3
155.08502	0.5
157.10164	0.7
159.11731	0.8
163.11198	0.2
169.10089	0.5
171.11757	0.4
173.13214	0.4
179.14330	0.2
181.10118	0.3
183.11713	0.6
185.13245	0.4
188.54985	0.3
195.11684	0.3
199.14760	0.3
209.13338	0.3
211.12300	0.3
223.12309	0.4
224.13272	0.3
257.19067	0.4
275.20108	1.4
301.07108	0.4
377.17566	0.3
387.16187	0.5
388.17169	0.4
389.17709	0.8
390.18359	0.5
391.19293	1.3
392.20029	0.5
393.21088	0.3
401.17847	0.3
402.18347	0.9
403.19257	2.1
404.20288	1.2
405.16412	0.3
405.21039	2.5
406.21664	0.8
407.22476	1.1
415.19406	1.2
416.20422	0.3
417.16785	1.1
417.21887	1.6
418.17880	1.0
419.17682	0.3
419.22827	3.6
420.23343	1.1
421.24103	0.3
428.15909	0.5
429.17154	0.7
430.17020	1.2
431.18173	3.5
431.23560	0.4
432.18579	1.4
433.14670	0.5
433.20242	7.2
434.21036	0.7
435.21811	0.9
443.18243	1.9
444.18945	1.6
445.19757	3.6
446.21024	3.1
447.22012	4.2
448.22934	1.6
449.23761	0.5
457.20313	0.5
458.20999	6.3
459.21878	4.5
460.17676	0.3
460.22800	4.4
461.19754	1.1
462.20169	0.5
463.20944	2.7
465.22791	0.6
471.22235	0.3
472.22321	0.3
473.23450	0.8
474.20752	0.4
475.20496	1.6
476.22034	0.7
477.22946	1.6
479.24338	0.4
487.24887	0.4
489.18066	0.4
489.23727	0.4
490.23798	0.8
491.20764	0.8
503.20956	0.4
503.24966	0.7
505.22165	0.4
516.21527	0.5
517.22540	1.0
517.40411	0.4
518.23108	2.9
519.23895	10.3
521.22406	1.9
521.24872	2.0
531.24036	1.4
532.24585	1.6
534.22772	0.3
535.23572	0.5
549.24908	3.5
563.26489	0.4
577.24030	0.3
579.26111	0.5
591.26038	11.9
592.25952	0.4
609.27051	100.0
609.44733	4.4
610.27136	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05510	0.4
67.05495	0.6
69.07076	0.4
71.37153	0.3
71.37491	0.4
76.40569	0.2
76.80407	0.2
79.05511	0.6
81.07055	0.9
83.08625	0.2
91.05450	0.7
93.07031	0.8
105.07040	0.6
107.08560	0.5
117.07005	0.4
119.08603	0.4
121.10222	0.3
129.06996	0.3
131.08589	0.4
159.11732	0.4
209.10783	0.4
222.11577	0.3
223.12375	0.4
224.13231	0.4
237.13899	0.5
238.14709	0.3
239.15459	0.4
251.15390	0.5
260.35022	0.3
263.11688	0.3
265.74237	0.3
275.20132	0.4
376.17044	0.5
377.17664	0.8
389.18466	1.0
390.18655	1.0
391.19223	2.6
392.19797	1.2
393.20792	0.4
400.16696	0.6
401.17670	0.8
402.18906	0.3
403.19543	0.7
404.20398	0.9
405.21033	2.9
406.21741	1.7
407.22253	2.7
413.17578	0.6
415.19193	1.8
416.19867	0.3
417.20990	0.8
418.21820	0.7
419.17947	0.7
419.22476	1.0
420.23434	0.6
421.23929	4.1
422.24567	0.7
427.19312	0.5
428.20200	0.5
429.20786	2.1
430.21786	1.1
431.18518	0.8
432.19540	0.8
433.19894	2.0
433.24765	0.7
442.21951	0.7
443.22247	0.8
444.23077	1.1
445.20352	1.0
446.21185	0.6
447.18259	1.9
448.18622	0.7
449.24011	0.6
452.22043	0.4
456.19522	0.4
457.24747	1.7
458.25458	0.4
459.22232	1.7
460.22498	1.1
461.19055	4.5
462.20486	2.1
463.20822	1.7
470.21408	0.5
471.17697	0.6
472.22531	0.9
473.19913	0.8
474.20636	1.1
475.21143	7.5
476.21899	7.0
476.27759	0.4
477.22391	4.8
478.23447	0.8
479.24481	0.6
485.23590	5.5
486.20209	2.7
487.20291	0.5
487.25403	0.4
488.22287	1.2
489.22931	4.7
493.21967	0.7
493.26361	0.8
494.26715	1.1
497.23526	0.4
499.21271	3.9
500.22220	1.0
503.24631	6.9
504.21808	0.9
504.25662	0.6
505.22287	0.6
507.23761	1.1
513.22778	1.4
515.24512	5.0
517.22455	2.3
518.22968	0.8
521.26105	3.2
531.23895	8.8
532.24908	0.3
533.25098	0.5
535.23535	0.6
541.22406	0.6
544.21881	0.3
548.24438	0.5
549.24683	1.8
550.25842	4.1
559.23499	4.5
563.26483	1.7
577.24609	2.4
591.26013	14.5
609.27069	100.0
610.27448	2.4
621.67004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1813
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.03929	0.2
54.23933	0.1
55.05508	0.3
57.03439	1.4
61.02913	0.8
66.21449	0.2
69.03412	0.8
69.54886	1.5
70.06580	0.2
71.04990	8.8
73.02931	0.3
75.04467	0.5
81.03403	0.6
81.07053	0.3
83.04967	0.5
85.02902	10.9
85.06522	0.2
87.04446	0.4
91.03943	0.4
91.05472	0.4
95.04948	0.3
95.08578	0.2
97.02888	0.7
98.21481	0.2
99.04424	0.3
107.04961	0.5
109.02848	0.3
111.04446	0.2
119.04932	0.3
121.02853	1.7
125.02338	0.3
127.03914	0.5
129.05472	2.3
133.02853	0.2
137.09700	0.2
141.05400	0.2
145.04936	0.4
145.10132	0.2
147.04388	0.9
147.06499	0.4
151.03894	0.6
167.03419	1.6
167.16003	0.2
179.03412	0.9
197.04491	0.2
199.33392	0.2
212.04771	0.2
227.07054	0.6
245.08047	0.3
255.06462	0.4
257.04520	0.5
258.05255	3.6
272.06909	0.4
273.07611	0.4
286.01828	0.3
286.04706	3.2
301.07056	100.0
302.07474	1.8
307.26233	0.2
311.13153	0.2
313.07227	0.2
367.08038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.80468	0.3
55.46897	0.3
70.22203	1.9
84.09142	0.3
98.20811	0.3
101.84538	0.3
129.15587	0.3
137.39798	0.4
139.10808	0.4
157.10263	0.4
223.12328	0.6
237.13809	0.5
342.13715	0.5
351.17477	0.4
376.17334	0.5
377.17847	1.1
389.18399	0.9
390.18558	0.7
391.19312	2.3
392.19962	1.4
393.20746	0.5
400.16980	0.6
403.19983	0.5
404.20465	1.2
405.16351	0.5
405.21039	3.3
406.21634	1.7
407.22260	2.7
413.17563	0.6
414.18671	0.8
415.19098	3.2
416.20615	0.6
417.21008	1.1
419.18002	0.9
419.22589	1.1
420.23706	0.9
421.23947	2.7
427.19272	0.9
429.20969	2.6
430.21872	1.4
431.18213	0.8
432.19318	0.8
433.20175	2.0
442.21933	0.6
444.23193	1.5
445.20352	1.1
447.17593	2.4
449.23145	0.6
457.24030	1.4
459.21942	1.7
460.22617	1.5
461.19061	4.4
462.20245	2.6
463.21228	0.6
465.22354	0.6
470.21201	0.7
471.17929	0.5
472.22610	0.5
473.19202	0.5
474.20724	1.2
475.21118	7.0
476.21774	4.7
477.22571	3.6
478.23599	0.6
484.19019	0.6
485.23535	6.3
486.20691	1.6
487.25369	0.6
488.22299	0.6
489.22961	3.9
493.21945	0.6
494.26807	1.0
497.23093	0.5
499.21295	1.7
500.22311	1.6
503.24448	3.9
504.25037	1.6
507.24097	0.5
513.22992	0.7
515.24506	5.0
515.62451	0.4
517.22614	0.5
521.25220	1.7
526.32983	0.5
531.23950	12.6
532.23523	0.5
533.25183	0.4
535.23743	0.6
541.22217	0.8
549.24646	2.1
550.25403	3.0
559.23505	5.8
577.24481	1.1
591.26044	35.7
592.26245	1.0
609.27075	100.0
610.27350	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.181
Annotation	Diosmin 
Peak:m/z	Relative Intensity
55.87825	0.4
57.03431	1.8
61.02908	0.4
69.03414	1.1
69.56671	3.3
69.57059	0.6
71.04989	9.3
73.02937	0.4
76.89055	0.5
83.04972	0.8
85.02901	12.5
87.04519	0.5
87.38173	0.4
91.85279	0.4
97.02897	1.0
99.82446	0.5
107.04971	0.9
111.04453	0.7
113.21658	0.4
118.82526	0.4
121.02860	1.4
127.03857	0.8
129.05469	2.8
133.02850	0.5
145.05000	0.5
146.44501	0.4
147.06476	0.5
151.03938	0.8
167.03407	2.2
179.03389	0.7
184.80821	0.4
211.74136	0.4
227.06923	0.7
245.08173	0.4
255.06540	0.7
257.04224	0.5
258.05252	4.3
272.06543	0.5
286.04764	3.3
301.07056	100.0
302.07404	1.8
429.59534	0.4
445.58643	0.4
634.70074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
57.03437	1.5
61.02919	0.3
64.18679	0.3
69.03421	1.1
70.08291	0.6
70.08702	1.0
71.04992	8.9
73.02911	0.4
75.04453	0.2
81.03406	0.4
83.04987	0.5
85.02902	10.1
85.03422	0.5
85.06564	0.3
91.03948	0.5
95.66762	0.3
97.02874	0.9
99.04444	0.3
107.04964	0.5
121.02863	1.1
124.01527	0.3
125.02330	0.3
127.03900	0.5
129.05470	2.2
145.01372	0.3
145.04941	0.6
147.06470	0.4
151.03845	0.5
167.03439	1.6
179.03413	0.6
196.01389	0.3
197.04480	0.4
198.48341	0.3
199.07518	0.3
212.04677	0.4
227.06978	0.7
245.08188	0.5
258.05276	3.4
272.06714	0.7
286.04730	3.3
301.07050	100.0
302.07437	2.5
379.74368	0.3
593.22687	0.3
593.72150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.29
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
84.33396	0.5
160.66125	0.5
190.54814	0.5
229.82613	0.9
249.19894	0.6
261.81058	0.5
388.16681	0.6
389.17380	0.7
390.18616	0.6
401.17853	0.7
402.18414	0.9
403.19153	2.5
404.19861	1.0
405.20883	1.7
415.19391	0.6
416.20245	0.6
417.16107	0.9
417.21362	3.4
418.21634	2.0
419.22174	3.8
431.18130	6.5
431.23846	0.8
432.19016	1.0
433.24014	7.4
434.24731	1.1
444.19095	1.0
445.19940	8.7
446.20746	5.2
447.21655	4.2
458.21109	0.6
459.21710	5.3
460.22440	11.9
461.23352	11.9
473.24072	2.5
474.24005	1.3
477.22861	1.0
487.25314	1.3
492.24954	0.9
505.08478	0.5
505.21664	3.2
515.24341	0.6
518.23364	0.6
519.24249	1.9
520.24567	0.6
532.25006	0.8
547.27026	31.3
548.27032	1.2
575.26880	1.1
579.30402	0.7
607.29095	100.0
608.29449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98486	0.3
94.37481	0.3
155.50134	0.3
176.97949	0.3
182.90195	0.3
210.31082	0.3
361.65445	0.3
387.16074	0.7
388.16785	0.4
389.17487	0.9
390.18555	0.3
401.17676	0.8
402.18399	1.1
403.19034	2.8
404.19797	0.6
405.20703	1.4
415.19534	0.6
416.20111	1.0
417.15860	0.5
417.21259	4.1
418.21811	1.9
419.22327	3.1
429.21045	0.6
430.17514	1.0
431.18198	7.2
432.19312	1.3
432.24158	0.5
433.19156	0.4
433.24106	8.0
434.24442	1.1
443.17920	0.4
444.19046	0.6
445.19836	8.8
446.20541	2.8
447.21674	3.5
458.28751	0.3
459.21201	3.3
460.22546	10.6
461.23297	11.4
473.23737	2.4
474.23981	1.3
477.23151	0.5
487.24890	1.1
488.25684	0.5
491.24826	0.5
492.25613	0.4
504.25333	0.4
505.21832	1.7
518.23181	0.6
519.14630	0.3
519.27039	1.5
532.24524	0.6
547.27008	41.5
548.27234	0.8
575.26440	1.4
579.29633	0.8
607.29083	100.0
608.29584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61094	0.8
53.03929	3.6
55.01865	5.1
55.05508	14.4
57.03431	5.3
57.07074	11.5
58.06583	1.6
59.04977	3.1
61.02913	3.4
65.03928	1.3
67.05502	36.2
68.99784	1.2
69.03423	17.8
69.07066	25.8
70.06635	0.9
70.22698	1.5
70.23102	2.2
71.04986	5.5
71.32312	0.8
73.02904	3.3
79.05062	1.4
79.05491	19.6
81.03409	12.4
81.07051	76.5
83.04965	7.2
83.08617	7.0
85.02905	25.5
85.06539	100.0
87.00823	11.6
87.04447	1.6
91.03959	1.3
91.04897	1.0
91.05472	18.5
93.07039	47.4
95.04966	7.9
95.08601	60.3
97.02887	10.4
97.06519	7.6
97.10172	5.7
99.04446	5.6
99.08076	7.2
101.06001	2.8
103.05436	1.1
104.81614	0.9
105.01858	6.8
105.07027	31.4
107.08587	44.8
109.02863	8.0
109.06500	4.7
109.10149	45.6
111.08057	5.1
111.11733	4.9
113.09653	6.8
115.07553	1.0
117.01872	1.4
117.07003	3.8
117.36887	0.8
119.08576	35.6
121.06509	2.1
121.10136	35.2
122.02284	0.8
123.08048	2.9
123.11703	15.0
125.09619	14.2
125.14023	0.8
127.03909	16.1
127.07575	1.1
127.11157	1.3
129.07002	1.9
130.07784	1.1
131.08572	11.2
133.10129	28.6
135.08072	0.9
135.11684	36.0
137.09613	5.1
137.13243	4.6
139.11162	10.6
142.07722	1.9
143.08516	2.9
143.10661	3.2
144.09360	1.1
145.04924	3.5
145.10117	17.3
147.02928	1.1
147.11681	21.9
149.09662	2.0
149.13257	21.2
151.11189	3.1
151.14795	1.3
153.12723	3.4
155.10645	5.9
157.08818	0.9
157.10161	5.2
157.12204	9.2
159.02840	2.9
159.10500	0.7
159.11676	19.4
161.13248	10.9
163.11201	2.6
163.14839	9.8
165.12740	7.1
167.14250	2.4
169.12300	1.2
171.10341	1.0
171.11705	5.5
173.11884	1.3
173.13277	8.1
175.11122	1.5
175.14812	16.2
177.12671	3.2
177.16374	7.5
179.14293	2.0
180.44548	0.8
181.12190	1.2
183.13770	2.5
185.13164	4.8
187.11169	1.1
187.14812	9.7
189.16344	11.0
191.14326	1.5
191.17892	1.3
193.15878	10.7
195.13795	5.7
195.17455	1.3
199.14824	3.2
201.16414	5.0
203.17926	5.5
205.15829	2.1
207.17378	2.3
209.15338	2.8
211.14961	0.8
211.16908	17.9
213.16406	13.1
215.17812	1.5
217.15842	0.8
217.19411	1.3
219.17366	1.2
221.18987	1.6
225.18437	1.2
227.12854	1.3
227.16142	1.7
227.17989	2.5
229.17709	4.7
229.19870	1.4
231.05043	2.1
231.17514	1.5
243.21016	1.2
245.19176	0.8
249.18416	1.4
257.22659	4.8
259.24231	1.4
261.22141	1.0
263.23505	0.8
269.22632	11.6
275.23676	10.5
283.15387	1.4
287.23682	18.0
288.38156	0.8
293.24731	13.8
305.24747	25.5
307.34244	0.9
311.25690	3.6
323.25781	26.4
329.26813	1.6
341.26855	13.5
359.28009	12.7
634.48767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.0
55.01879	7.9
55.05504	20.8
57.03416	3.7
57.07065	3.4
59.42280	1.5
65.03931	4.2
67.05499	56.0
69.03419	3.9
69.06711	2.8
69.07062	37.7
70.24870	7.1
71.04960	2.2
79.05047	3.0
79.05485	43.8
81.03415	8.6
81.07053	53.7
83.04959	6.9
83.08606	11.4
85.06557	2.2
91.05473	69.4
93.07036	37.9
95.01332	8.2
95.04973	13.2
95.08600	41.5
97.06521	13.3
97.10142	4.1
99.08128	2.4
101.32411	1.6
103.05484	2.3
105.07024	74.6
107.04959	14.1
107.08594	23.4
109.06499	3.5
109.10163	11.4
111.04435	1.5
111.08082	2.5
115.05434	4.0
116.60999	1.9
117.07003	21.7
118.07832	1.8
119.08572	44.5
121.06494	2.4
121.10144	12.4
123.04378	2.1
123.08092	3.6
123.11733	2.1
125.09649	2.4
128.06224	3.1
129.06996	15.0
130.07753	1.6
131.08562	34.9
133.10115	41.2
135.08014	3.2
135.11642	9.5
137.09653	2.0
141.06969	6.0
142.07744	2.8
143.08546	13.9
145.06447	2.7
145.10124	27.9
147.07988	2.1
147.11662	23.3
149.09633	5.6
149.13229	5.3
150.88821	1.7
151.11209	1.9
155.08534	11.3
157.10095	12.3
159.11670	19.8
161.09615	3.2
161.13234	9.6
163.11198	2.8
165.07077	1.7
167.08589	5.0
169.10117	11.7
171.11661	11.7
173.13258	10.2
175.14816	4.3
177.12746	4.3
179.08551	2.7
179.14249	13.8
181.10144	7.0
183.11665	9.2
185.13272	8.4
187.11221	3.0
187.14828	4.5
192.09320	1.8
193.10158	3.1
195.11688	7.3
197.13266	6.6
199.14815	4.1
201.16309	1.6
207.11763	4.8
207.13704	1.7
209.13235	8.7
211.14871	2.8
213.16316	1.6
221.13254	2.6
223.14874	6.1
225.16443	2.3
227.17831	2.0
231.21198	2.4
235.14816	2.1
237.16348	3.3
239.18025	3.7
241.19641	9.4
241.21696	1.5
249.16379	2.3
251.18057	2.5
257.19003	4.4
259.20618	9.6
275.20062	52.6
293.21146	6.6
313.21619	2.0
315.23273	9.9
315.26590	1.5
349.23898	6.9
421.30701	1.6
497.37778	2.5
509.36273	2.7
512.17712	1.7
515.38922	5.3
533.39685	5.1
551.40680	2.0
589.42407	4.5
607.35071	3.8
607.43530	100.0
608.25867	2.1
608.43842	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41961	0.2
55.01871	0.6
55.05519	1.5
57.03417	0.4
57.07096	0.2
64.92956	0.2
67.05504	2.9
69.03407	0.5
69.07055	0.9
71.05001	0.3
71.64302	0.3
75.86115	0.2
76.62176	0.2
79.05491	1.8
81.03422	0.9
81.07060	2.0
83.04950	0.4
83.08615	0.5
85.06544	0.3
91.05476	1.5
93.07034	1.4
95.04948	0.5
95.08596	1.3
97.02901	0.4
97.06541	0.5
98.98449	0.4
105.07020	1.4
107.08581	0.9
109.06509	0.3
109.10160	1.1
117.07042	0.4
118.60979	0.2
119.08575	0.6
121.10116	0.4
123.08099	0.3
129.07013	0.5
131.08556	0.8
133.10126	0.7
135.11676	0.4
142.07733	0.3
143.08546	0.5
145.10118	0.8
147.11784	0.3
149.13235	0.4
155.08569	0.8
157.10152	0.6
159.11703	0.5
163.11165	0.3
165.09119	0.3
169.10098	0.6
181.10240	0.3
183.11693	0.6
185.13284	0.3
197.13272	0.4
204.06601	0.3
221.10684	0.4
223.12328	0.3
275.20331	0.3
335.25336	0.3
371.03680	0.3
375.16183	0.9
387.16095	0.6
388.16888	1.0
389.17548	2.8
390.18402	1.1
391.19180	1.2
397.59827	0.3
401.17990	0.4
402.18500	1.1
403.15518	0.7
403.19565	4.3
404.20074	2.2
405.20697	3.0
406.21167	0.5
415.15015	0.4
415.19678	0.4
416.16306	1.0
417.16147	4.0
417.21109	2.1
418.17728	1.4
418.21860	0.9
419.17667	0.4
419.22482	5.6
420.22974	0.8
428.17398	0.4
429.21524	0.3
430.17484	0.5
430.22345	0.4
431.18274	8.5
432.19138	3.4
433.20044	3.5
435.21881	0.4
435.32343	0.4
437.25446	1.2
443.19040	0.6
444.19614	0.6
445.20267	5.5
446.21078	7.0
447.21777	8.8
448.22537	0.8
456.19968	0.4
458.20764	0.5
459.17285	0.7
459.21890	1.5
459.38763	0.3
460.18427	0.5
461.19464	1.7
462.24423	0.6
463.20706	0.6
463.25760	0.5
473.19641	1.0
474.20288	5.9
475.21109	5.0
476.21661	0.4
477.23038	0.8
478.23572	1.0
487.21579	1.8
488.21933	0.6
490.24072	0.6
491.19907	2.8
501.23053	1.4
503.24570	0.4
503.34299	0.3
504.21411	0.3
505.22537	1.1
506.23050	0.8
509.36285	1.5
519.24066	15.6
520.24200	0.9
529.22534	0.6
532.20868	0.4
533.21552	0.4
535.21893	0.4
547.23315	11.6
547.30536	2.6
548.23907	0.8
549.22028	0.3
551.26892	0.5
561.25146	0.4
575.22839	0.3
579.25891	5.9
579.34430	0.4
580.25854	0.4
607.25421	100.0
607.33087	4.1
608.25861	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	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05445	0.6
55.05682	0.4
57.07003	0.8
59.79292	0.4
67.05405	1.9
69.06988	0.6
69.97130	2.3
70.73486	0.3
71.01212	0.4
71.08537	0.8
79.05388	1.3
81.06950	1.9
91.05357	1.4
93.06959	0.8
95.04871	0.4
95.08485	1.2
95.31372	0.3
97.06448	0.5
98.21481	0.6
98.57851	0.4
105.06924	1.3
107.08533	0.7
109.06423	0.7
110.00948	0.4
113.79747	0.4
119.08463	0.8
121.10071	0.6
131.08476	0.5
133.10030	0.9
143.08406	0.6
145.10002	0.4
147.11569	0.5
209.10551	0.4
219.17363	0.6
221.10600	0.5
223.12199	0.5
233.10730	0.4
275.19965	1.1
276.20242	0.5
322.13531	0.4
325.11557	0.4
350.23810	0.5
373.14188	0.4
374.15036	0.5
375.15933	1.3
377.17679	0.5
387.16187	0.9
388.16730	1.5
389.17728	3.5
390.18317	1.4
391.19025	0.8
401.17493	1.2
402.14099	0.9
402.18430	1.6
403.19449	6.3
404.20053	2.8
405.20810	3.4
415.19647	0.8
416.16129	1.7
416.20764	0.7
417.16141	5.2
417.21024	2.7
418.17581	1.6
418.22144	0.7
419.22418	9.0
420.22937	0.6
429.16629	0.7
430.17468	0.9
431.18332	10.9
432.19070	3.4
433.20117	4.2
434.20929	0.6
445.20294	9.1
446.21094	8.6
447.21716	12.8
448.22598	0.8
459.16956	2.3
459.22760	0.8
460.18750	1.3
461.19290	1.8
462.24149	0.9
463.25092	1.3
473.19614	1.7
473.23984	0.4
474.20444	13.0
475.21124	13.5
476.21643	0.9
477.23068	1.2
478.23462	0.8
487.21399	3.2
488.22009	1.0
490.23380	1.6
491.20493	1.9
491.25146	0.9
501.22693	1.4
503.24603	0.5
504.21368	0.7
505.22726	0.9
506.22821	1.1
518.23468	0.6
519.23993	15.8
532.21014	0.8
535.18457	0.5
547.23364	73.8
548.23645	2.1
561.24872	1.4
575.23199	0.6
579.26019	4.9
589.24384	1.7
607.25476	100.0
608.25543	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	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.4
55.01865	33.3
55.05506	30.6
56.02982	5.2
57.03432	19.4
57.07069	52.5
64.78094	5.0
65.03911	7.1
67.05503	59.3
69.03401	5.7
69.07056	37.7
69.36511	70.1
71.05009	5.4
71.08636	39.1
72.55547	5.4
74.05956	6.5
79.05481	48.4
81.07052	62.8
83.08617	24.2
85.10187	13.7
91.05469	57.7
93.07040	41.1
95.04942	15.2
95.08598	57.7
97.06502	35.8
97.10158	13.8
105.07025	51.4
107.04957	34.2
107.08597	38.9
109.10135	24.9
113.81466	6.2
117.06966	9.5
119.06001	5.8
119.08581	37.0
119.47489	6.0
121.10146	14.5
123.08054	5.9
123.11742	7.8
125.09581	7.7
129.06946	10.0
130.87505	5.5
131.08554	20.8
133.10159	30.6
135.11673	12.7
145.10098	31.2
147.11679	12.2
149.09583	42.9
152.43230	5.6
157.10030	8.2
159.11734	14.5
161.13249	6.5
163.11168	20.1
206.04782	6.1
227.12732	18.4
257.19058	8.3
275.20047	100.0
287.99420	6.7
293.21164	9.9
313.27313	67.3
349.23782	45.4
409.33133	8.0
496.66699	7.8
547.00220	7.1
587.46704	42.4
605.47607	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	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.38343	0.2
69.42741	2.2
87.31900	0.2
98.21481	0.4
101.60651	0.2
102.32710	0.2
201.77373	0.2
207.09317	0.2
209.10774	0.4
223.12381	0.2
236.62520	0.2
237.38069	0.2
251.11928	0.3
263.11728	0.2
287.51495	0.2
311.74692	0.2
373.14542	0.2
374.15375	0.3
375.16122	0.8
376.17261	0.6
387.16241	0.7
388.16922	1.0
389.17575	3.0
390.18207	1.0
391.19379	1.3
392.19833	0.3
401.17725	0.8
402.14590	0.7
402.18594	0.8
403.15356	0.5
403.19461	4.2
404.20029	1.5
405.20700	2.7
406.21542	0.4
407.22327	0.4
415.15051	0.4
415.19925	0.3
416.15588	1.1
416.20932	0.3
417.16327	4.4
417.21094	1.7
418.17810	1.6
418.21970	0.9
419.22415	6.7
420.23181	1.5
429.16647	0.3
430.17905	0.8
431.18317	7.8
432.19043	3.1
433.20120	4.2
434.20535	0.3
435.22028	0.3
441.17166	0.4
443.18530	0.4
444.19763	0.3
445.20117	5.4
446.20990	8.4
447.21716	8.5
448.22360	0.9
459.17477	0.7
459.21994	1.2
460.18179	0.4
460.23489	0.4
461.19293	1.9
462.24820	0.4
463.20270	0.4
463.25208	0.7
473.19412	0.8
473.24048	0.6
474.20303	5.2
475.21005	5.4
476.21921	0.7
477.23398	1.0
478.23657	0.9
487.21353	1.8
488.21713	0.5
490.23608	0.4
491.19958	3.1
501.22858	0.8
504.21832	0.5
505.22308	0.9
509.36130	0.2
518.23224	0.3
519.24066	17.6
520.24445	1.1
532.20941	0.4
546.91107	0.2
547.23395	13.1
548.23730	0.9
551.26666	0.7
561.25073	0.5
575.21899	0.2
579.25983	6.1
589.24573	0.4
607.25482	100.0
608.25763	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	605.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01876	15.3
55.05510	31.4
57.03438	8.5
57.07075	53.0
65.03949	2.8
67.05506	74.3
67.30346	1.8
69.03435	3.3
69.06728	2.6
69.07071	33.5
69.34338	1.8
69.59662	4.4
69.60071	10.3
71.04997	4.9
71.08288	3.0
71.08636	38.4
72.32736	1.8
79.05497	51.4
81.03407	3.4
81.07059	100.0
83.04977	8.3
83.08614	25.2
85.06550	5.0
85.10174	18.4
86.51755	2.0
91.05479	43.9
92.16219	1.8
93.07046	40.0
95.04991	12.4
95.08604	64.3
97.06526	23.0
97.10178	15.9
105.07034	42.4
105.07696	3.7
107.04959	19.2
107.08598	31.9
109.06516	15.4
109.10159	32.6
111.08080	5.8
117.07036	12.7
119.08582	33.3
121.06497	6.3
121.10144	18.2
123.08076	5.2
123.11709	14.0
125.09641	7.6
129.06990	4.4
131.08588	17.1
133.10123	24.6
135.08049	8.6
135.11684	7.2
137.09608	6.9
137.13251	3.3
143.08559	6.4
145.06512	3.8
145.10132	20.3
147.11705	24.5
147.77834	1.8
148.67441	1.9
149.09624	25.6
149.13254	6.9
151.11211	3.9
155.08556	3.6
157.10138	7.3
159.11717	13.0
161.09676	2.5
161.13272	5.8
163.11154	10.3
165.09193	2.0
165.12752	3.8
169.10065	2.7
171.11729	5.0
173.13292	5.6
175.11223	2.3
177.12779	3.0
179.08560	1.9
179.14272	1.7
181.10078	1.9
183.11699	3.5
185.13237	3.1
187.14861	2.2
189.11150	4.9
189.12714	2.1
197.13312	3.7
201.12759	2.8
207.13768	2.2
227.12737	9.8
229.19621	4.0
233.15341	2.5
239.17958	7.8
239.23692	5.5
241.14304	3.3
244.77057	1.9
247.20599	4.9
257.19009	15.0
275.20062	97.8
293.21017	9.5
313.21759	2.5
313.27365	60.5
331.22583	3.3
341.32123	1.9
349.23721	43.6
350.61844	1.8
393.81467	1.8
425.20535	2.1
483.36435	2.5
493.33240	2.0
587.46808	38.8
605.23621	4.2
605.48376	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	604.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04251	0.8
58.06600	1.2
64.13718	0.8
67.05488	0.9
69.90099	5.3
70.06591	2.2
81.07040	0.9
81.86687	0.9
85.02879	1.0
86.09714	1.1
122.97093	0.9
177.06979	1.1
179.08559	2.1
189.07062	1.7
190.41658	0.9
205.06537	2.9
207.08055	14.7
214.40829	0.8
217.06526	1.5
222.06738	2.3
224.08350	1.1
233.05882	3.7
234.06754	2.1
235.07547	26.2
237.09119	2.5
245.07605	1.0
247.07611	3.2
250.06313	4.5
261.05429	3.4
262.06250	7.4
263.07108	6.7
264.07599	1.9
265.08545	7.5
275.06973	1.3
278.05737	2.1
280.07254	1.1
291.06625	1.2
292.07266	27.3
292.10352	1.7
293.05124	0.6
293.08051	25.1
308.06839	5.3
323.09122	100.0
340.11807	18.3
508.69089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.32611	0.3
57.07077	0.6
61.14584	0.4
67.05499	0.6
69.50053	2.6
71.08621	0.5
72.72687	0.3
75.91659	0.3
77.27280	0.3
81.07067	0.8
91.05471	0.5
93.07040	0.3
95.08615	0.8
102.51105	0.3
105.07036	0.6
107.08563	0.3
114.21165	0.4
120.54115	0.3
128.25154	0.3
132.59962	0.3
132.84390	0.3
137.89915	0.3
138.15775	0.3
151.75984	0.3
153.48114	0.3
239.23007	0.3
249.67767	0.4
275.19968	0.5
349.24005	0.6
399.16058	0.4
400.16946	0.4
401.17621	0.8
413.17816	0.9
414.18512	1.5
415.19165	4.0
416.20038	1.9
427.19705	0.5
428.19934	1.6
429.15698	0.6
429.20859	8.3
430.21548	4.7
431.22351	1.3
433.23843	0.5
442.21912	0.6
443.22894	3.7
444.23535	7.7
445.24142	5.0
448.26328	0.7
456.19424	0.5
457.19833	1.2
457.24393	1.1
458.25598	2.6
459.21478	2.4
459.25879	2.4
470.20853	0.5
471.21838	1.1
472.22498	3.2
473.23578	5.4
474.24606	1.9
475.21222	0.4
476.21964	0.8
485.23489	3.2
486.24231	1.5
487.24973	21.3
488.25992	1.8
489.22925	1.1
498.20560	0.4
500.22104	0.6
501.22879	0.6
503.24582	2.3
513.23157	0.7
517.26715	2.7
518.22992	0.6
531.23743	0.8
545.25494	15.3
546.26086	3.3
573.24750	1.8
577.27911	0.6
587.22797	0.4
590.25195	0.4
605.27576	100.0
606.28064	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	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.32611	0.3
57.07077	0.6
61.14584	0.4
67.05499	0.6
69.50053	2.6
71.08621	0.5
72.72687	0.3
75.91659	0.3
77.27280	0.3
81.07067	0.8
91.05471	0.5
93.07040	0.3
95.08615	0.8
102.51105	0.3
105.07036	0.6
107.08563	0.3
114.21165	0.4
120.54115	0.3
128.25154	0.3
132.59962	0.3
132.84390	0.3
137.89915	0.3
138.15775	0.3
151.75984	0.3
153.48114	0.3
239.23007	0.3
249.67767	0.4
275.19968	0.5
349.24005	0.6
399.16058	0.4
400.16946	0.4
401.17621	0.8
413.17816	0.9
414.18512	1.5
415.19165	4.0
416.20038	1.9
427.19705	0.5
428.19934	1.6
429.15698	0.6
429.20859	8.3
430.21548	4.7
431.22351	1.3
433.23843	0.5
442.21912	0.6
443.22894	3.7
444.23535	7.7
445.24142	5.0
448.26328	0.7
456.19424	0.5
457.19833	1.2
457.24393	1.1
458.25598	2.6
459.21478	2.4
459.25879	2.4
470.20853	0.5
471.21838	1.1
472.22498	3.2
473.23578	5.4
474.24606	1.9
475.21222	0.4
476.21964	0.8
485.23489	3.2
486.24231	1.5
487.24973	21.3
488.25992	1.8
489.22925	1.1
498.20560	0.4
500.22104	0.6
501.22879	0.6
503.24582	2.3
513.23157	0.7
517.26715	2.7
518.22992	0.6
531.23743	0.8
545.25494	15.3
546.26086	3.3
573.24750	1.8
577.27911	0.6
587.22797	0.4
590.25195	0.4
605.27576	100.0
606.28064	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	603.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90994	2.1
53.03942	2.6
55.01873	2.5
55.05510	24.1
57.07077	31.3
57.29003	1.7
58.57938	1.6
67.04874	3.4
67.05206	3.7
67.05505	31.9
69.03436	10.0
69.07070	25.2
71.04970	3.3
71.08628	19.8
71.64985	2.6
79.05495	17.1
81.03425	3.3
81.07050	31.6
83.04977	2.9
83.08622	12.6
85.10189	8.7
91.05486	13.3
93.07034	15.0
95.04980	7.3
95.08607	26.8
97.02884	7.7
97.10183	11.5
105.07033	9.3
107.04965	7.0
107.08601	11.7
109.06512	3.1
109.10168	13.7
113.06041	2.1
117.07015	8.6
119.08561	11.4
121.06526	2.1
121.10148	5.7
123.08074	3.2
125.09634	2.9
131.08600	6.2
133.10156	2.6
135.08142	3.1
135.11722	3.1
143.08603	3.2
145.10107	4.3
147.08064	4.2
147.11642	3.7
149.09666	2.2
149.13301	3.0
157.10181	3.3
159.11629	2.3
161.09642	2.2
165.09090	3.6
177.12778	2.9
185.13235	2.2
189.11244	3.8
193.12277	3.1
207.47008	2.2
223.13339	16.8
227.12811	2.5
239.23631	4.2
245.19048	2.3
273.18491	25.8
291.19556	100.0
292.19894	2.2
303.45279	2.5
313.27423	8.2
347.22382	4.9
603.46204	93.8
604.46570	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	603.3164
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03933	10.8
53.10580	2.1
55.01877	16.1
55.05511	28.2
57.03438	15.5
57.07050	2.3
67.05503	39.1
67.55432	2.1
68.99783	2.5
69.03426	11.9
69.07063	15.1
70.06586	3.2
71.01343	2.9
71.04993	7.4
71.63837	3.8
77.03942	2.5
79.05489	56.2
81.03416	76.6
81.07051	42.6
83.04978	23.9
83.08620	23.3
85.02906	32.5
85.06541	4.6
85.85254	2.1
86.85180	2.7
90.09172	2.1
91.05477	54.9
93.07027	31.9
95.04967	63.1
95.08601	22.4
97.02891	12.9
97.06533	10.5
97.10168	15.8
99.04441	2.7
101.11649	2.5
103.05480	8.9
105.07028	39.2
107.04942	23.3
107.08596	16.1
109.02873	25.1
109.06532	8.1
109.10168	9.3
111.04443	16.0
111.08089	10.0
113.06062	3.9
115.05440	12.7
115.43711	2.1
117.07007	23.1
119.04923	7.0
119.08570	27.2
121.02873	10.3
121.06510	20.5
121.10133	14.9
123.04427	8.6
123.08097	9.0
123.11690	2.7
125.05991	2.8
125.09596	11.4
127.03959	3.0
128.06239	10.0
129.07027	22.7
131.04926	20.2
131.08580	23.6
132.28482	2.3
133.06508	21.5
133.10135	11.2
135.04471	4.5
135.08080	9.9
135.11700	5.5
137.02373	7.8
137.05998	7.7
141.07016	4.3
142.07782	4.2
143.08578	9.1
145.06461	24.2
145.10146	14.0
147.04413	14.0
147.08070	14.6
147.11693	14.2
149.06038	9.8
149.09619	10.2
151.03906	3.2
153.09154	4.1
153.12784	5.2
155.08575	7.3
157.06473	11.7
157.10101	14.6
159.04405	3.8
159.08090	9.8
159.11659	5.4
160.05203	4.9
161.05991	24.2
161.09650	8.3
163.03906	2.8
163.11166	13.9
165.07024	4.1
165.09108	7.1
165.12755	3.3
167.08632	5.3
169.06564	2.7
169.10161	6.7
171.08098	8.1
171.11774	4.7
173.05992	35.7
173.09669	9.9
174.06783	6.9
175.04059	2.9
175.07587	6.2
175.11145	13.8
177.05473	3.1
181.10121	6.5
181.12294	5.0
183.08043	6.8
185.06091	3.1
185.09615	5.1
185.13315	4.1
186.06636	3.3
187.07570	14.0
187.11197	2.8
189.05460	32.7
189.09180	4.8
189.11234	5.7
191.10701	5.1
193.10362	3.5
193.12222	35.4
199.07568	6.0
199.11230	4.0
201.09055	5.1
203.07022	4.6
203.10774	2.6
205.12334	3.0
209.09694	3.3
211.13252	42.3
213.09152	6.8
223.13306	2.6
225.09111	3.5
227.12769	7.8
237.12790	4.4
239.10931	3.2
243.13910	3.3
255.13771	11.9
257.15485	6.7
259.13309	2.8
267.15973	13.3
269.12335	3.4
271.13226	3.9
273.14871	31.5
283.13177	16.1
285.14777	11.2
285.17468	18.5
287.16724	2.7
289.14359	6.9
291.15948	3.7
301.14316	100.0
301.17548	5.0
303.16095	8.5
319.15356	18.5
329.16910	2.7
341.17673	3.6
357.17010	7.4
359.18399	4.7
375.18030	21.2
393.19092	11.0
459.27756	3.5
475.24982	3.3
493.25702	3.1
511.26968	5.6
539.29620	3.7
543.29700	3.7
548.04156	2.5
559.28369	2.8
567.29272	14.8
573.30591	19.3
585.30585	86.5
603.31665	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.05504	16.6
57.07062	7.9
65.03912	7.4
67.05481	25.8
69.03425	5.6
69.07037	9.6
70.01033	9.3
70.01453	29.7
70.43292	5.1
73.56634	5.1
74.27848	5.8
76.38105	6.5
79.05486	43.9
81.07043	70.7
85.06573	5.6
91.05470	55.5
93.07035	100.0
95.04937	14.5
95.08606	48.5
96.15196	5.3
97.06525	6.3
98.20828	11.6
98.42336	5.4
103.43088	6.2
105.07023	81.4
106.07352	6.5
107.08581	72.5
109.06558	9.0
109.10157	27.8
111.05843	6.2
115.05482	6.4
117.06999	23.2
119.04896	5.6
119.08566	76.4
121.06456	6.7
121.10130	56.9
123.08034	6.1
123.11703	9.2
125.09621	9.5
127.57249	5.0
128.06151	13.0
129.06964	18.4
131.08549	49.1
133.06468	6.1
133.10115	24.6
135.08055	9.9
135.11676	58.6
141.06961	9.3
142.07770	19.1
143.08522	37.7
145.06462	6.6
145.10124	46.7
147.08064	7.9
147.11684	25.6
153.06931	5.8
154.07808	8.5
155.08571	29.5
157.10092	46.7
159.08109	9.2
159.11679	45.8
161.13235	11.3
165.06949	11.8
167.08565	14.1
169.10107	32.6
171.08099	6.6
171.11644	17.5
173.09621	8.5
175.11197	24.4
179.08578	13.5
180.09349	10.2
181.10121	18.0
182.10889	8.4
183.11647	22.9
185.09627	8.4
185.13226	18.3
187.11276	6.1
187.14880	14.3
192.09320	10.9
193.10114	16.2
194.10936	11.8
195.11659	21.4
197.13243	16.2
199.76549	6.1
203.33501	5.9
205.10168	10.9
207.11720	27.5
209.13206	16.1
211.14742	13.5
212.20058	6.1
219.11632	11.3
221.13194	14.5
223.14752	23.5
225.16360	20.5
229.12218	8.1
232.12448	6.3
233.13248	17.1
234.13966	6.5
235.14873	6.5
245.13161	9.5
246.14139	6.0
247.14777	11.4
248.50153	5.9
249.16313	13.4
255.17371	6.8
261.16333	9.6
263.17932	8.4
265.15585	6.2
275.17865	14.4
277.19366	7.6
279.17593	6.9
287.18005	7.7
289.19592	8.7
343.24112	8.8
376.25122	14.4
401.28351	11.9
419.29279	7.3
542.20654	11.9
550.56677	6.8
590.07123	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	602.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.8
55.01866	3.3
55.05508	20.3
56.98066	2.3
57.07065	4.2
59.73130	2.1
64.19472	2.2
65.03946	5.1
67.05501	31.2
69.07060	16.7
69.44298	15.1
69.44722	9.5
71.04991	4.8
77.03896	2.4
79.05050	4.0
79.05485	44.8
81.03399	3.5
81.06572	5.3
81.07047	91.5
83.04970	4.4
83.08608	10.5
85.06556	15.0
91.05474	59.0
93.07030	100.0
94.07405	2.7
95.04960	14.8
95.08595	56.2
97.06516	5.1
97.10152	3.4
99.08054	3.3
103.05449	5.7
105.04493	4.0
105.07019	98.6
107.04955	3.7
107.08589	71.6
109.06487	10.3
109.10147	27.6
111.08077	2.7
115.05428	6.8
116.06306	2.5
117.06998	24.2
119.08573	76.2
121.06499	5.8
121.10132	88.1
122.10503	2.5
123.08034	4.6
123.11685	18.0
125.09601	4.6
125.92873	2.6
128.06197	12.9
129.07021	27.2
130.07796	3.4
131.08569	50.3
133.06473	6.2
133.10112	40.0
134.17014	2.4
135.08032	8.4
135.11688	33.2
137.06018	3.0
137.09607	4.7
141.06995	9.9
142.07773	28.4
143.08563	41.7
144.09238	8.4
145.06439	4.8
145.10112	55.9
147.08060	6.1
147.11659	25.8
149.09598	5.6
149.13229	10.4
153.06975	8.4
154.07750	6.6
155.08556	30.7
156.09303	9.8
157.06534	3.2
157.10115	66.8
158.10858	3.5
159.08040	7.4
159.11685	54.0
160.08601	2.8
161.09612	6.5
161.13251	8.8
163.11186	4.4
165.06950	8.9
166.07724	4.4
167.08549	12.5
167.10666	4.6
168.09340	10.3
169.10106	44.4
170.10757	3.0
171.08046	5.2
171.11687	32.2
173.05980	3.2
173.09535	12.4
173.13260	11.3
175.11171	31.7
175.12532	3.8
177.09108	3.4
177.12741	10.0
178.07738	4.3
179.08577	16.7
180.09303	8.3
181.10114	23.2
182.10902	9.0
183.11681	33.8
185.09653	8.5
185.13266	17.7
187.07532	3.9
187.11157	9.8
187.14850	5.2
189.09097	4.8
189.12720	4.4
189.16541	2.8
191.08707	3.6
191.10495	3.1
192.07640	2.5
192.09344	7.2
193.08598	4.9
193.10114	24.2
193.11946	4.2
194.10844	10.1
195.11719	25.2
196.12410	6.8
197.09566	5.0
197.13263	19.4
199.11250	6.2
199.14847	11.6
200.15294	2.6
201.09222	3.6
201.12737	3.6
201.16327	7.4
203.08636	3.6
205.10146	10.4
206.10855	11.3
207.11632	22.0
208.12453	5.6
209.09605	2.8
209.13246	24.9
210.13914	2.7
211.11195	5.3
211.14848	13.2
212.65991	3.0
213.12820	4.9
213.16380	2.8
215.10632	3.9
217.10155	7.2
218.10777	4.8
218.16127	3.1
219.11639	16.1
220.12384	7.2
221.13347	27.2
222.13982	6.0
223.11330	2.9
223.14748	21.0
225.12822	4.5
225.16403	17.9
227.10651	4.4
227.17938	10.1
229.12210	8.4
231.11717	5.2
231.13875	3.0
232.12502	8.2
233.13254	12.6
234.13982	4.4
235.14815	15.9
237.12717	3.4
237.16339	10.8
238.13660	3.5
239.14339	3.7
239.17923	5.7
243.11748	4.8
244.12450	3.6
245.13191	13.3
246.13972	4.9
247.14966	14.8
248.15508	3.2
249.16376	16.2
251.14244	4.0
251.17947	12.2
253.15804	14.0
253.19408	4.5
255.17345	13.4
257.13135	3.5
259.14801	9.3
260.15369	4.7
261.16403	17.2
262.16937	4.0
263.14059	2.8
263.17938	15.0
265.15872	6.4
265.19434	10.2
267.17343	4.7
269.15518	4.0
271.16891	10.0
273.16425	8.9
274.17203	4.6
275.17941	10.0
277.16177	5.2
277.19470	12.4
279.17398	5.6
279.21014	3.1
281.18930	3.4
285.16388	3.7
287.17920	4.1
289.19434	8.9
291.20996	5.3
293.18869	7.0
299.17923	3.1
301.19220	4.0
303.21103	6.8
305.18970	3.7
305.22644	2.7
307.20465	3.9
309.18597	3.0
309.22125	3.1
313.19537	3.5
315.20981	8.3
317.22540	5.8
321.18652	3.9
321.22125	4.1
327.20935	4.2
331.20596	4.7
333.18500	3.2
333.22250	5.9
343.24188	7.7
345.25620	3.2
361.21298	3.5
373.21588	4.3
373.28531	3.8
383.27237	9.3
385.28833	8.1
389.24622	3.3
401.28430	26.4
403.30045	7.1
419.29132	11.6
429.27881	13.2
441.88422	2.9
447.29010	15.2
465.29581	3.4
507.30664	3.1
602.42426	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	602.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	0.4
57.29445	0.3
67.05465	1.0
81.07013	1.4
91.05435	1.3
92.09560	0.3
93.07005	0.9
95.08574	0.9
95.26512	0.3
103.05437	0.4
105.07025	2.0
107.08572	0.8
117.07059	0.4
119.08539	1.1
129.06985	0.4
131.08539	1.2
133.10120	0.7
141.07057	0.4
143.08557	1.0
145.10088	0.9
147.07993	0.4
147.11690	0.6
156.09363	0.4
157.10062	1.3
159.11635	1.1
159.69727	0.3
165.06943	0.4
169.10127	0.4
173.09453	0.4
175.11212	0.4
178.07771	5.7
182.10921	0.4
183.07964	0.4
183.11783	0.7
185.13240	0.4
187.11108	0.4
189.06961	2.4
190.07718	2.8
191.08528	1.6
191.10396	0.3
192.09306	0.6
193.10110	0.6
199.14769	0.6
200.14995	0.6
201.12735	0.6
202.07726	1.6
203.08527	0.9
205.06535	1.7
206.07277	7.8
208.08780	3.4
209.09489	0.5
217.06351	0.6
218.07285	4.9
219.07930	1.7
219.09937	0.6
220.08795	1.1
221.09608	34.4
222.09877	0.6
223.11186	3.1
229.12114	0.5
233.09619	4.4
234.06744	7.1
235.07458	1.2
236.08324	1.9
237.08946	0.5
246.06911	0.8
247.07550	0.7
247.13078	0.5
248.08394	1.8
249.09106	24.5
250.09528	0.6
251.10661	1.4
259.08875	0.4
261.09109	18.2
262.09717	1.0
263.07083	0.5
264.07840	2.6
265.08707	0.4
275.09430	0.4
276.15955	1.0
278.11838	0.9
279.10156	100.0
280.10422	2.2
291.10159	4.7
306.11292	0.4
308.12802	25.3
309.13208	0.7
312.14767	0.4
359.59183	0.5
376.25214	1.0
524.24176	0.7
542.25598	4.3
544.22791	0.6
544.82184	0.4
602.27521	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	602.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.7
55.05513	16.0
57.07073	4.2
60.71156	3.2
65.03931	5.8
67.05507	30.8
69.07069	18.3
69.46169	30.9
70.72046	2.8
71.04969	4.0
72.68920	3.3
79.05489	44.5
81.06577	6.1
81.07049	91.0
83.04975	4.1
83.08595	6.4
85.06527	15.8
91.05477	54.0
93.07043	100.0
95.04954	12.4
95.08609	48.9
97.06509	8.8
103.05463	7.3
105.07024	92.4
105.56705	3.2
107.08595	60.7
109.06519	10.8
109.10174	24.8
111.08090	4.2
115.05415	4.2
117.07005	25.1
119.08591	66.1
121.06487	4.2
121.10139	80.7
123.08092	5.8
123.11687	12.1
128.06224	17.2
129.07065	19.0
130.07802	5.1
131.08562	41.5
133.10130	29.6
135.08061	7.8
135.11688	31.4
137.09598	4.9
141.07001	12.1
142.07774	31.1
143.08562	43.2
144.09308	6.2
145.10124	46.9
147.08061	9.4
147.11668	23.0
149.09605	7.6
149.13278	10.5
153.06931	5.6
154.07704	4.5
155.08543	32.2
156.09384	6.5
157.10130	69.8
159.08072	9.8
159.11694	61.7
161.09602	8.6
161.13234	8.0
163.11157	8.5
165.07016	10.8
166.07892	4.3
167.08536	9.6
167.10652	3.5
168.05548	3.6
168.09370	10.5
169.10149	39.7
171.08087	7.4
171.11661	30.5
173.06021	4.3
173.09595	10.1
173.13254	14.6
175.07544	3.9
175.11191	27.4
175.14822	5.9
177.12759	7.1
178.07790	4.7
179.08563	18.1
180.09328	9.8
181.10081	24.2
182.10826	5.2
183.11703	35.7
184.12410	3.4
185.09631	9.9
185.13228	17.8
187.11179	6.0
187.14816	9.1
191.08572	5.7
192.09340	9.9
193.10075	21.5
194.10889	9.0
195.07790	4.4
195.11705	28.7
196.12306	6.1
197.09581	4.8
197.13208	17.8
199.11113	4.2
199.14832	13.2
201.09134	3.7
201.12668	8.1
201.16415	7.1
203.08615	5.4
205.10095	13.4
205.11984	3.3
206.10983	7.4
207.11694	31.4
208.12408	6.8
209.13223	28.7
211.11186	4.8
211.14792	13.1
213.12732	5.3
213.16383	5.6
215.10652	4.4
217.10176	6.0
219.11678	13.1
220.12485	5.3
221.13306	20.3
223.14821	22.1
225.12738	7.5
225.16443	16.5
227.17984	8.8
229.10101	4.9
229.12184	7.8
231.11691	11.9
232.12401	4.9
233.13231	16.2
233.15242	3.8
234.13855	5.9
235.14874	12.6
237.12811	3.7
237.16405	13.6
239.14235	5.1
239.17944	7.9
245.13264	10.3
246.13950	7.2
247.14888	15.8
249.16396	15.6
251.14209	5.1
251.18019	8.7
253.15894	12.6
255.17496	13.5
257.13190	5.8
259.14828	10.9
260.15591	5.1
261.16434	13.4
263.17929	11.5
265.19659	7.0
271.14441	3.9
271.16995	12.2
272.96613	3.8
273.16403	9.4
275.17804	16.6
277.16077	4.4
277.19522	12.4
279.17444	7.8
287.17834	6.2
289.19650	8.8
291.21048	8.2
293.15509	4.1
293.18958	7.7
293.22278	4.2
303.21021	7.5
305.18991	4.0
315.21149	4.5
317.22696	5.2
329.22894	5.0
333.21942	4.4
333.25659	4.2
341.22372	3.6
343.24091	10.1
357.15240	3.8
383.27499	8.2
385.28790	4.3
401.28363	20.1
403.29993	8.4
419.29584	8.2
429.27655	13.4
447.29001	17.9
465.30511	4.5
489.23663	4.0
507.31061	3.6
602.41498	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	601.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
53.03928	7.4
55.01861	7.4
55.05503	20.8
57.03428	3.7
57.07076	27.6
59.04976	2.7
65.03922	6.8
67.05503	33.6
68.26715	2.5
69.03429	14.5
69.07060	25.1
70.22629	12.2
71.04971	3.2
71.08607	13.8
79.05485	35.9
81.02975	4.2
81.03414	57.9
81.07050	51.0
83.04975	19.1
83.08619	22.3
85.06511	7.6
85.10156	7.4
91.05477	62.5
93.07039	79.7
95.01315	2.9
95.04967	28.6
95.08604	49.5
97.06522	13.9
97.10172	5.0
98.21403	4.1
99.08077	3.2
100.01698	2.6
100.47047	2.4
103.05453	7.8
104.06250	4.3
105.07030	100.0
107.04937	9.1
107.08590	81.1
109.06517	18.0
109.10145	33.1
111.08059	7.5
113.09655	6.6
115.05470	12.6
116.06239	4.4
117.06997	25.0
119.08576	93.6
120.08891	3.9
121.06476	11.3
121.10136	84.1
123.08043	16.0
123.11741	13.1
125.05978	4.0
125.09618	13.9
128.06209	17.3
129.06999	19.2
130.07765	9.4
131.04903	6.0
131.08572	45.7
133.06485	12.1
133.10127	63.9
135.08052	15.9
135.11705	22.2
137.05978	4.1
137.09654	13.3
139.11150	5.3
141.06953	7.5
142.07765	20.8
143.08562	43.6
144.09386	12.9
145.06470	5.1
145.10120	70.1
147.04399	6.3
147.08035	14.9
147.11687	24.7
149.09607	18.6
149.13210	3.4
151.07562	9.6
153.06975	3.6
154.07750	2.9
155.08548	22.0
155.10593	3.9
156.09331	17.6
157.10132	52.5
158.10843	4.7
159.04370	6.7
159.08080	14.9
159.11681	43.7
160.05193	11.8
161.05984	25.9
161.09631	18.0
161.13249	9.2
163.11165	8.6
165.07030	4.8
165.09111	18.5
166.07684	2.8
167.08540	9.5
167.10667	55.4
168.09262	5.4
169.10109	30.9
170.10933	7.2
171.08032	4.1
171.11708	30.1
172.12349	2.7
173.05960	15.5
173.09598	7.4
173.13245	22.7
175.11200	12.8
175.14803	14.2
177.09058	2.8
178.07785	2.9
179.08510	10.6
180.09277	7.2
181.10033	16.2
181.12187	5.8
182.10866	6.9
183.11685	30.4
184.12384	3.1
185.09605	6.4
185.13271	18.4
187.07469	7.2
187.11179	7.3
187.14839	7.3
189.09109	4.5
189.12706	7.8
191.14293	4.3
192.09273	3.5
193.10123	10.3
193.12042	3.2
194.10912	9.1
195.11655	22.8
196.12381	5.6
197.09587	4.2
197.13213	22.8
198.13768	3.9
199.11081	4.5
199.14783	11.9
201.12784	4.9
201.16403	8.5
203.10657	6.6
203.14348	13.0
205.10089	5.3
206.10849	7.6
207.11682	17.0
207.13722	6.7
208.12419	5.4
209.13269	27.0
210.13916	3.1
211.14792	13.3
212.15128	3.2
213.12631	3.4
213.16417	3.6
215.14296	7.6
217.10147	2.7
217.15778	3.0
219.11615	5.5
220.12479	2.8
221.13242	14.1
221.15364	37.2
222.13957	4.2
223.14909	13.1
224.15160	3.3
225.16315	6.0
227.14369	5.5
231.11636	4.0
232.12363	4.7
233.13380	4.6
233.15314	25.3
235.14790	9.9
237.12807	3.2
237.16379	8.4
239.18022	2.8
243.13739	8.6
245.13132	3.8
246.13954	3.8
247.14703	4.7
247.16965	2.7
249.16351	5.1
251.17815	7.9
255.17308	5.7
257.18887	2.9
261.16336	4.3
263.17838	4.9
267.17276	3.4
269.18979	10.8
271.13190	30.8
275.17761	3.7
276.18634	2.9
277.19595	3.7
279.17252	3.3
281.18918	6.7
289.14288	10.5
297.22165	2.8
299.20059	5.1
313.27328	25.5
315.34897	2.7
343.24240	3.1
345.16849	10.1
349.25085	4.5
377.24490	3.9
521.35938	2.9
525.20972	5.2
565.40137	6.3
583.40942	9.6
601.22620	16.3
601.41284	78.2
602.23151	3.3
602.40887	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.0
53.03942	7.2
54.43581	2.0
55.01869	3.5
55.05507	26.9
57.07078	13.7
61.92251	1.8
65.03931	7.5
67.05505	38.8
67.55784	1.8
69.03078	2.5
69.03420	16.7
69.07065	24.3
70.35560	3.1
70.35958	5.4
71.04989	5.1
71.08623	7.5
77.03885	2.2
79.05489	35.4
81.03419	14.8
81.07058	55.9
82.07371	1.9
83.04986	20.5
83.08623	17.8
85.06539	8.6
85.10182	3.1
87.04455	5.3
89.06024	2.7
91.05480	66.8
92.05785	2.2
93.07045	83.4
94.07370	2.5
95.04967	29.5
95.08602	47.3
97.06509	10.5
97.10167	4.6
103.05457	5.7
105.07030	99.3
106.07377	2.3
107.04935	6.2
107.07857	4.1
107.08591	84.2
108.08923	2.2
109.06525	13.0
109.10160	35.4
111.08086	5.9
111.11684	2.1
113.09644	4.3
115.05421	10.3
116.06230	3.4
117.07014	25.6
118.07364	2.0
119.04952	2.0
119.08581	100.0
120.08808	2.3
121.06497	15.0
121.10141	96.0
123.08076	19.5
123.11685	7.5
125.06001	4.7
125.09618	17.0
128.06216	11.9
129.07011	19.0
130.07780	10.7
131.08572	44.6
133.06479	9.3
133.08615	3.5
133.10129	61.6
135.08051	19.6
135.11685	21.1
136.08395	2.4
137.09634	12.1
138.45293	2.2
139.11171	6.2
141.06956	10.7
142.07788	27.0
143.08562	42.2
144.09364	11.3
145.06476	3.3
145.10121	74.4
146.07323	2.3
146.10533	3.1
147.08022	16.3
147.11697	25.1
149.09647	24.0
149.13240	7.6
151.07516	6.7
151.11131	3.7
153.06999	4.7
154.07744	3.9
155.08597	15.9
155.10672	4.7
156.09340	20.0
157.10130	53.2
158.10794	8.8
159.08073	16.6
159.11696	40.7
159.73053	2.2
160.05264	2.7
160.08585	2.6
160.12061	2.8
161.06004	5.0
161.09621	15.1
161.13274	11.6
163.11195	8.5
163.14903	2.3
165.06984	5.7
165.09131	20.1
166.07773	4.4
167.08606	10.8
167.10675	57.1
168.09309	7.4
169.10138	29.6
170.10812	8.2
171.11716	34.0
172.08763	2.9
172.12364	5.6
173.05983	6.7
173.09618	7.9
173.13295	23.1
175.11194	10.9
175.14853	14.5
177.09111	2.2
178.07719	2.2
179.08566	14.4
180.09302	6.9
181.10120	15.6
181.12228	6.5
182.10904	10.0
183.11682	27.3
184.12360	5.9
185.13237	20.8
186.13657	2.4
187.07549	2.1
187.11194	4.5
187.14824	13.5
189.12790	8.5
191.14311	5.7
192.09326	4.7
193.04277	2.1
193.10143	12.8
193.11777	2.4
193.15833	2.9
194.10931	10.1
195.11707	22.9
196.08813	2.6
196.12457	9.4
197.09563	4.3
197.13252	24.0
198.13936	2.9
199.11154	6.5
199.14819	15.8
201.12755	7.3
201.16402	7.9
202.13141	2.6
203.10753	2.5
203.14331	9.7
205.10136	4.4
205.15996	2.8
206.10912	7.2
207.11681	16.0
207.13625	4.1
208.12431	7.9
209.13239	28.5
209.15157	3.2
210.14032	6.9
211.11195	3.7
211.14781	15.6
213.12730	6.5
213.16333	5.6
215.14297	6.5
217.10118	3.7
217.15887	4.4
219.11656	5.1
219.17476	2.9
220.12410	4.6
221.13235	13.3
221.15378	43.5
222.13936	3.2
223.14763	18.2
225.12755	4.9
225.16435	7.6
227.14342	3.3
227.17857	2.1
229.15901	2.9
232.12480	4.6
233.13234	6.5
233.15352	32.7
235.14781	12.1
236.15443	3.9
237.12889	3.2
237.16371	8.8
239.14305	3.1
239.17911	4.6
245.13115	2.6
246.14000	3.1
247.14803	5.3
248.15594	3.8
249.12730	2.4
249.16357	9.3
250.16928	2.7
251.17909	5.0
253.15793	3.1
255.17392	3.2
257.19055	3.9
258.13889	3.8
259.14835	4.5
259.20471	2.4
260.15491	3.4
261.16333	5.0
263.17926	5.7
265.19550	8.1
269.18915	6.9
271.13321	6.8
273.18649	3.0
275.17822	5.2
277.19412	4.3
281.19058	3.8
283.20447	5.6
285.18616	3.5
286.19165	2.3
287.20328	4.3
289.19467	2.5
293.18851	2.7
295.20578	4.1
299.20178	4.0
301.21893	3.4
311.20145	3.3
313.27292	8.4
319.20245	2.7
321.22394	2.4
335.23700	3.1
343.24152	2.5
345.16943	3.9
349.25253	4.4
353.24066	2.3
361.25085	2.8
365.24719	2.7
367.26266	3.3
377.24509	2.2
393.27505	2.5
449.87677	2.4
491.35074	3.1
503.34299	2.9
563.04041	2.3
565.40552	5.1
583.41467	12.0
601.41949	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
51.99787	2.1
53.03937	7.1
55.01872	2.1
55.05510	20.0
57.07066	9.2
59.04996	4.9
60.14090	1.8
65.03935	2.6
67.05502	34.4
69.03423	15.0
69.07065	24.6
70.84665	6.5
71.04992	2.8
77.03934	2.9
79.05486	32.3
81.07056	48.3
83.04975	20.6
83.08618	13.4
85.06532	9.2
91.05480	55.0
92.05792	2.1
93.06464	4.3
93.07042	78.3
95.04967	21.1
95.08050	2.8
95.08607	39.7
97.06507	11.6
97.10130	3.4
99.08135	2.5
103.05452	5.6
105.04530	2.7
105.07030	100.0
106.07311	3.1
107.04952	5.2
107.08595	78.1
109.06529	20.1
109.10155	29.4
111.08088	5.3
111.11702	2.9
113.09645	4.5
115.05444	5.9
116.06220	2.3
117.07025	20.9
119.08578	93.9
121.06521	10.4
121.10143	83.8
121.11019	3.7
122.10440	3.9
123.08096	13.8
123.11717	13.0
125.09637	18.8
128.06223	14.0
129.07028	18.5
130.07767	8.7
131.08571	50.1
133.06476	4.9
133.10124	63.7
133.11079	4.5
134.10460	3.5
135.08051	19.2
135.11668	23.7
136.75061	1.9
137.09634	10.4
137.13197	3.6
139.11180	6.8
141.06978	6.5
142.07771	23.1
143.08554	46.0
144.09366	10.6
145.10123	71.5
146.07210	2.5
146.10513	3.2
147.08051	10.3
147.11696	17.5
149.09641	21.6
149.13237	4.5
151.07552	4.0
151.11163	3.3
153.07011	4.5
154.07841	2.3
155.08569	17.8
155.10703	6.6
156.09378	16.3
157.10117	48.8
158.10835	7.7
159.08055	16.2
159.11685	44.3
160.08897	2.2
160.11986	3.2
161.09587	15.6
161.13260	8.0
163.11182	7.9
163.14917	2.5
165.07016	6.0
165.09134	8.2
166.07767	4.6
167.08577	10.3
167.10677	65.4
168.09360	4.6
169.10112	25.8
170.10855	8.9
171.08067	2.6
171.11703	37.5
172.12166	4.5
173.09593	6.2
173.13219	21.7
175.11188	7.3
175.14815	15.8
177.12720	4.8
178.07700	3.4
179.08562	10.8
180.09325	6.7
181.10196	13.3
181.12201	5.0
182.10925	10.4
183.11708	25.1
184.12358	4.1
185.09647	4.6
185.13272	23.4
187.11185	5.9
187.14796	11.0
189.12738	7.2
191.14301	5.1
192.09364	2.9
193.10197	12.3
193.11797	2.9
194.10913	10.1
195.11697	23.0
196.12463	8.9
197.13248	23.6
198.13773	3.9
199.11209	4.8
199.14804	14.7
201.12715	6.7
201.16420	6.3
203.14326	6.0
204.09325	2.7
205.10193	4.3
206.10898	7.9
207.11610	14.8
207.13576	2.5
208.12416	5.9
209.13239	22.6
209.15327	4.9
210.14005	5.8
211.11282	2.7
211.14793	14.8
213.12759	4.7
213.16341	4.5
215.14287	7.4
217.15822	5.0
219.11656	5.1
220.12483	4.4
221.13234	12.1
221.15381	16.4
222.13957	5.3
222.15857	3.2
223.14706	11.6
225.12814	2.9
225.16385	8.4
227.14268	5.5
231.11734	5.0
231.17435	3.9
232.12605	4.1
233.13194	7.1
233.15331	36.2
234.15898	5.2
235.14729	7.4
235.16815	3.0
236.15569	3.5
237.16328	11.0
239.17863	4.4
241.15767	2.4
243.17513	3.0
244.12497	2.3
245.13268	5.0
246.14116	2.6
247.14755	5.4
248.15489	2.9
249.16386	8.6
250.16957	2.8
251.17937	6.5
255.17390	6.2
259.14899	3.2
261.16351	5.8
263.17963	8.1
265.19525	4.9
267.17337	4.8
269.19040	8.0
272.15457	2.8
273.16171	3.5
273.18784	4.0
275.17834	5.0
277.19446	4.3
281.19107	4.0
283.20599	5.8
285.16101	3.1
287.20319	4.4
289.19589	2.4
295.20575	3.5
297.22177	2.7
299.20087	3.0
335.23874	3.4
347.24094	2.8
349.25052	3.4
361.25406	2.7
367.26068	2.3
384.46289	2.4
550.91461	2.6
565.39990	4.6
583.41412	7.3
601.41998	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	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.05513	20.3
55.74696	2.4
57.03444	2.7
57.07063	10.4
58.52965	2.3
59.04991	5.4
65.03943	4.4
67.05502	35.0
69.03434	19.2
69.07059	27.0
71.04982	3.0
71.12548	7.1
77.03909	3.6
79.05490	31.5
81.03399	7.8
81.06582	3.0
81.07053	45.5
82.07381	3.0
83.04984	17.8
83.08605	8.5
85.06552	6.0
87.04465	4.5
91.05466	54.5
93.07040	75.2
94.07353	3.4
95.04954	26.0
95.08598	43.3
97.06516	10.2
97.10171	2.8
103.05453	7.1
105.04536	3.0
105.07026	99.3
106.07324	4.0
107.04974	3.8
107.08591	61.4
108.08955	5.1
109.06484	20.1
109.10155	22.2
111.08069	8.2
111.11688	2.8
113.09682	4.0
115.05461	5.2
117.07021	18.9
119.08577	100.0
120.08854	3.5
121.06506	10.0
121.10139	63.9
122.07313	3.4
123.08080	22.1
123.11671	6.8
125.05975	4.0
125.09624	11.4
128.06204	12.6
129.07005	18.3
130.07770	6.4
131.08563	41.5
133.06487	5.2
133.10127	61.0
134.10486	3.3
135.08040	15.3
135.11674	21.0
137.09608	11.8
139.07507	4.8
139.11168	3.7
141.07033	5.6
142.07777	24.6
143.08566	37.7
144.09293	10.9
145.10117	69.5
146.10460	4.7
147.08034	22.8
147.11676	19.6
149.09615	21.1
151.07552	13.4
153.06982	5.4
153.09160	3.8
154.07773	4.8
155.08542	21.1
156.09311	14.5
157.10120	52.2
158.10725	9.3
159.08034	14.5
159.11693	43.0
160.12044	2.6
161.05949	3.5
161.09601	16.9
161.13240	11.4
163.11162	12.1
165.09114	28.9
166.07730	4.7
167.08522	11.0
167.10686	41.5
168.09375	5.9
168.10966	3.3
169.10132	31.3
170.10857	9.9
171.08054	3.2
171.11671	32.8
172.12158	4.2
173.06009	3.2
173.09653	8.5
173.13234	26.6
175.11174	13.2
175.14789	15.1
176.46037	2.7
177.12753	4.5
178.07784	2.9
179.08575	8.5
179.10640	3.0
180.09262	5.4
180.90135	2.8
181.10098	14.6
181.12163	8.1
182.10855	7.0
183.11702	27.6
184.12196	2.8
185.09666	6.8
185.13206	19.9
187.11188	6.0
187.14799	9.6
189.12767	10.2
191.08644	2.8
191.14259	6.9
193.10124	15.9
193.12050	4.3
194.10797	7.6
195.11720	23.8
196.12347	7.4
197.09633	3.1
197.13239	24.1
198.13766	3.1
199.11165	5.2
199.14764	13.5
201.12743	5.6
201.16420	4.8
203.14233	16.6
205.10115	4.0
207.11667	14.2
207.13841	8.3
208.12355	6.0
209.13243	19.1
209.15089	5.4
210.13997	5.6
211.11295	2.9
211.14851	17.9
213.12811	4.4
213.16454	4.3
214.78687	2.5
215.14290	4.0
217.15773	4.5
219.11723	4.9
219.13782	3.0
220.12535	5.8
221.13225	13.5
221.15302	75.8
222.13811	6.3
222.15741	6.8
223.14848	8.4
224.15402	3.8
225.12701	4.3
225.16403	7.4
227.14299	4.4
232.12399	3.1
233.13211	6.3
233.15355	25.5
234.15909	5.1
235.14807	9.2
237.16550	5.9
239.17867	6.7
245.13081	3.7
247.14674	8.5
247.17033	4.7
249.16476	6.9
251.17969	3.9
261.16400	5.7
263.17938	6.2
265.19415	4.9
269.18958	6.2
271.17105	4.0
271.20294	3.3
273.16095	5.8
273.18726	4.3
275.17722	5.8
277.19312	3.6
279.17520	4.0
281.18958	3.8
283.20325	6.9
285.18579	6.1
286.19327	3.7
287.20032	6.2
295.20331	3.9
299.20184	4.4
300.20496	3.8
301.21591	4.5
303.19629	3.5
304.20078	5.7
313.21555	4.5
317.22369	2.9
325.21606	5.2
349.25064	2.6
352.23956	10.8
353.24335	18.1
365.24734	2.8
431.16229	3.0
491.35486	4.2
508.34915	4.4
509.35342	4.1
521.35663	14.6
547.38098	3.0
565.40112	4.3
583.41492	15.5
601.42261	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.05510	20.7
57.07063	10.6
59.04998	6.9
65.03919	4.0
67.05504	34.8
69.03431	12.1
69.07062	19.9
71.04987	3.8
71.11037	8.4
77.03889	3.5
79.05497	36.9
81.07061	47.7
83.04978	17.6
83.08606	15.8
85.06541	8.0
87.04463	4.8
91.05474	52.4
92.05810	4.8
93.07047	81.5
94.07375	4.1
95.04969	22.1
95.08604	44.4
96.08980	3.4
97.06512	12.1
103.05481	4.6
105.04523	5.7
105.07022	94.9
107.04945	4.2
107.08588	71.0
108.08900	4.8
109.06525	24.4
109.10154	23.2
111.08079	5.2
115.05450	8.7
116.06207	4.0
117.07011	17.1
119.06048	3.2
119.07785	6.7
119.08578	84.1
120.08988	4.2
121.06527	12.1
121.10139	71.7
122.10442	4.8
123.08056	20.8
123.11702	7.3
125.05996	6.4
125.09634	12.3
128.06241	10.9
129.07039	20.4
130.07808	4.6
131.08582	46.9
132.08888	5.3
133.06499	9.1
133.10138	54.2
134.10522	4.0
135.08044	22.9
135.11714	19.7
137.09608	20.0
141.06969	5.8
142.07790	21.0
143.08594	29.4
144.09293	6.4
145.06516	5.8
145.10115	69.8
146.07362	3.8
147.08037	27.9
147.11688	20.1
149.09625	21.3
149.13150	3.1
151.07530	19.3
154.07739	3.7
155.08528	16.0
156.09370	20.1
157.10123	57.4
158.10667	10.8
159.08090	13.2
159.11688	39.4
160.08551	5.0
160.12108	3.9
161.09631	18.2
161.13283	9.5
163.11188	11.8
165.06981	6.6
165.09119	42.9
166.09422	5.4
167.08521	10.1
167.10661	40.2
168.09341	6.3
169.10110	31.1
170.10840	11.2
171.11667	33.7
172.12408	3.2
173.09616	8.4
173.13287	22.2
175.11217	14.7
175.14841	10.4
176.11691	3.1
177.12666	3.1
179.08572	10.6
180.09267	3.7
181.10106	14.2
181.12245	13.1
182.10861	8.9
183.11617	19.8
184.12209	7.2
185.13260	23.9
187.11259	8.0
187.14861	7.1
189.12706	15.2
190.13309	3.0
191.14256	4.3
192.09312	3.9
193.08533	4.1
193.10155	7.3
194.10849	10.0
195.11740	16.8
195.13535	3.2
196.12343	9.0
197.13251	25.8
199.11212	5.3
199.14835	12.1
201.12724	8.3
201.16393	3.2
203.14359	23.5
207.11813	7.3
207.13802	11.1
208.12401	7.9
209.13246	22.1
209.15347	8.4
211.14865	18.4
212.11972	4.3
213.12781	6.7
213.16310	4.2
215.14339	6.9
217.15915	5.9
219.11758	7.7
219.13736	4.3
220.12390	8.0
221.13261	14.0
221.15329	100.0
222.15744	10.7
223.14789	12.2
224.15216	4.4
225.12749	5.9
225.16415	11.0
227.14288	5.3
231.11772	4.4
232.12376	4.2
233.13373	5.9
233.15393	17.0
234.15926	6.3
235.14795	9.8
235.16948	3.8
237.14633	4.5
237.16690	5.8
239.17896	4.5
245.13263	5.0
247.14812	4.6
249.16350	8.4
251.14229	3.6
251.18010	6.5
252.18768	3.5
253.15744	3.7
255.17435	7.8
255.38440	3.4
256.17767	4.2
261.16379	9.6
262.16714	3.9
263.18079	5.0
265.19586	5.4
275.17746	4.5
276.18347	3.1
281.18820	5.6
283.20529	4.8
285.18561	7.2
286.19495	5.6
287.19958	10.3
289.18591	2.9
295.20401	5.4
300.20804	13.3
301.21835	5.7
303.19498	8.1
304.19907	7.3
311.20157	4.7
312.21085	3.9
326.21942	4.8
349.25156	3.7
352.24023	9.9
353.24237	22.5
361.25067	5.5
365.24637	5.2
366.24905	4.5
367.26300	8.0
379.26303	4.3
393.27893	4.8
444.08252	3.5
508.34970	4.0
509.35736	6.3
520.36005	4.2
521.35901	13.8
559.29694	3.4
565.40509	9.9
583.41528	16.1
601.42352	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01865	3.2
55.05506	13.1
56.12941	2.1
57.07069	12.5
59.04983	3.7
65.03950	3.4
66.40297	2.5
67.05511	19.5
69.03413	11.7
69.07056	9.5
69.34527	34.7
72.15188	3.0
76.55483	3.0
79.05491	18.9
81.07049	33.0
83.04965	5.4
83.08617	5.8
85.06551	5.5
89.06049	2.9
91.05475	35.5
92.05807	3.4
93.07038	42.1
95.04966	11.3
95.08598	31.7
97.06526	4.0
98.20789	6.4
103.05476	2.8
105.07028	51.0
107.08588	21.4
109.06513	16.4
109.10166	13.3
111.08029	3.9
117.07028	14.2
119.08573	53.5
121.06493	7.0
121.10128	29.4
123.08064	26.4
123.11705	5.3
125.05994	7.3
128.06215	7.7
129.06995	13.0
130.07845	3.9
131.08575	20.0
132.08858	3.3
133.10138	21.4
135.08020	16.6
135.11687	7.1
137.09601	21.1
142.07780	11.0
143.08543	25.1
145.10109	44.5
147.08058	41.6
147.11699	10.4
149.09634	9.2
151.07530	18.0
155.08565	7.7
156.09331	8.7
157.10129	27.1
159.11711	20.8
161.09615	9.7
161.13281	10.6
163.11122	8.0
165.07034	5.1
165.09105	64.3
165.10490	3.2
166.09541	4.3
167.08441	3.2
168.09219	3.2
169.10106	11.1
170.10889	4.2
171.11668	13.0
171.86952	3.0
173.09668	5.7
173.13251	11.1
175.11205	5.9
175.14868	4.7
181.10106	7.9
181.12201	10.8
182.10921	6.5
183.11623	14.1
185.09612	3.6
185.13231	9.7
187.11105	3.8
187.14795	2.8
189.12799	5.9
193.10156	5.3
194.10767	3.5
195.11710	9.2
197.13232	9.5
199.11136	3.4
201.12701	4.0
203.14316	22.6
207.11882	3.8
207.13843	9.8
208.12224	3.0
208.14424	3.9
209.13281	6.9
211.14856	6.1
221.13362	3.9
221.15361	100.0
222.15712	7.9
223.14819	3.0
230.65436	3.0
233.13203	3.7
235.14766	5.8
243.13760	3.2
247.17026	5.1
273.25528	2.8
287.20013	8.0
300.20679	4.1
333.47003	3.5
352.23907	6.0
353.24237	5.2
367.26315	4.7
387.20026	2.8
399.74463	3.4
403.94485	3.4
441.29846	3.7
491.35153	9.3
509.35983	6.1
521.35803	13.3
583.41217	10.0
601.42377	38.7
629.12286	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
53.34352	1.2
54.85861	1.0
55.05501	5.5
57.07069	8.9
59.04993	2.3
67.05502	10.9
69.03419	7.7
69.07067	5.8
71.57386	1.4
79.05492	10.5
81.07056	16.3
83.04974	3.3
83.08605	2.7
85.06524	3.7
86.81664	1.0
91.05473	20.2
93.07034	32.4
95.04980	7.2
95.08606	20.4
97.06528	4.2
102.32531	0.9
103.05463	1.3
105.07022	30.1
106.07344	1.9
107.08576	17.8
108.05798	1.1
109.06501	10.5
109.10150	9.5
111.08086	2.6
115.05450	2.2
117.07021	9.0
119.08572	36.9
120.08884	2.4
120.84569	1.1
121.06557	5.3
121.10125	19.7
123.08060	16.3
123.11729	2.6
125.05979	4.6
128.06232	3.2
129.07019	5.4
130.07771	3.4
131.07669	1.9
131.08577	15.0
133.06509	2.7
133.10121	22.7
135.08034	11.7
135.08946	1.1
135.11639	6.1
137.06024	1.4
137.09610	13.5
138.09995	1.5
141.07011	1.9
142.07758	6.5
143.08575	12.4
144.09299	3.3
145.10112	31.1
146.10500	1.8
147.08046	16.2
147.11682	6.7
149.09608	6.3
150.09956	1.2
151.07523	11.3
153.09193	1.7
154.07846	1.0
155.08522	5.5
156.09326	6.1
157.10132	19.8
158.10788	3.8
159.08075	1.9
159.11697	16.4
161.09612	5.2
161.13258	6.7
163.11162	10.6
165.06943	2.5
165.09109	44.9
166.09470	2.0
167.08582	2.4
167.10669	1.8
168.09337	2.0
169.10170	8.6
170.10876	2.3
171.11667	10.2
172.12260	1.6
173.09636	4.1
173.13223	5.9
175.11209	3.4
175.14812	5.1
177.09021	1.7
179.08524	1.5
180.09253	1.2
181.10173	5.1
181.12192	10.1
182.10910	2.7
183.11716	9.8
184.12099	1.9
185.09674	1.5
185.13182	6.3
187.11198	2.8
187.14861	5.4
188.11557	1.2
189.12787	4.4
191.10745	2.6
193.10204	3.5
193.12134	2.4
194.10887	2.2
195.11685	5.5
195.13768	2.0
196.12405	2.2
197.09642	1.3
197.13235	6.6
199.11180	2.6
199.14828	2.0
201.16428	2.0
202.13307	1.4
203.14307	16.4
204.14536	2.3
205.10037	1.2
206.10899	1.4
207.11676	3.7
207.13821	8.9
209.13264	5.9
209.15288	3.4
211.11073	1.8
211.14801	5.6
213.12827	1.4
213.16396	3.1
215.14288	1.2
219.11711	1.8
219.13763	2.1
221.13326	3.8
221.15344	100.0
222.15765	7.2
223.14749	2.5
225.16318	2.2
227.14250	2.1
231.13867	1.6
233.13315	1.5
234.16049	1.7
235.14673	2.1
235.16766	2.0
237.16393	2.3
241.15947	1.3
247.14690	1.5
247.16977	4.8
248.17477	1.2
249.16313	1.2
253.15749	1.3
263.17911	1.6
273.16324	1.4
283.20447	2.5
286.19388	2.4
287.20065	7.0
288.20346	1.4
295.20648	2.3
297.22159	1.2
299.20084	3.0
300.20737	3.7
301.21686	5.6
303.21667	1.3
311.19958	1.8
311.86600	1.2
312.20792	2.1
313.21548	2.4
314.21899	1.2
325.21771	1.8
326.22104	1.2
338.22354	1.1
340.23926	2.1
349.25125	1.3
352.23767	2.8
353.24380	2.9
365.24982	1.6
366.25134	2.1
367.26108	7.3
375.26953	2.3
377.24335	1.2
393.27908	4.2
421.30844	1.5
425.30743	1.5
427.28534	1.5
428.28833	1.7
440.29266	2.9
441.29584	6.3
455.32059	1.5
491.35165	10.5
509.36209	5.9
521.35706	5.0
565.40619	2.4
583.41779	10.9
601.42352	38.6
602.42444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76905	2.0
55.05504	7.9
57.03437	5.3
57.07073	13.8
59.05009	3.1
65.03929	2.1
67.05495	14.8
69.03423	6.2
69.07066	10.1
71.08624	8.1
79.05484	11.6
81.07050	26.9
83.04977	6.5
83.08609	5.3
85.10159	3.7
91.05489	17.1
93.07037	32.0
94.07351	2.3
95.04973	9.4
95.08589	19.9
98.20673	4.3
105.07030	25.1
105.52679	2.4
107.04964	8.1
107.08583	17.3
109.06527	9.5
109.10195	11.0
111.04389	3.2
111.08125	2.6
117.06998	6.7
119.08569	37.2
121.06486	5.8
121.10124	20.6
123.08054	11.8
123.11712	3.7
125.05974	3.5
128.06203	2.9
129.06981	4.9
131.08557	15.1
133.10123	19.9
133.16473	2.3
135.08041	13.2
135.11710	11.5
137.06015	2.6
137.09604	10.9
142.07768	4.4
143.08571	13.4
145.10132	28.5
147.08032	17.2
147.11676	8.3
148.08511	2.5
149.09644	6.3
151.07542	9.7
155.08551	5.3
156.09355	4.2
157.10112	20.6
158.10733	5.1
159.08051	3.8
159.11659	16.0
161.09605	4.3
161.13210	6.4
163.11201	9.9
165.06946	2.8
165.09097	43.7
169.10130	8.0
170.10623	2.4
171.08115	2.4
171.11658	13.3
173.09642	3.7
173.13307	5.7
175.11176	4.5
175.14894	3.5
177.12746	5.0
181.10117	3.4
181.12222	12.0
182.12604	2.7
183.11642	7.8
184.12294	3.0
185.13287	6.1
187.11226	4.3
187.14859	3.5
189.12773	6.3
193.10071	2.6
195.11725	5.8
197.13275	3.9
201.12825	4.1
203.14326	15.0
204.14789	3.0
207.13757	5.0
209.13297	7.1
211.14786	7.8
213.12683	3.2
221.15352	100.0
222.15639	13.1
223.14772	4.5
233.15396	8.5
234.16148	2.9
235.14742	3.9
235.16801	3.3
237.16389	3.3
247.16855	4.0
261.18503	4.1
265.19321	2.4
271.17047	6.9
286.19351	2.8
287.20059	8.4
289.17987	19.9
299.19943	5.3
300.20856	5.6
301.21570	7.1
326.22089	3.6
352.23788	5.6
353.24390	7.8
367.26392	3.1
384.74966	2.5
393.27716	5.0
420.29584	3.2
440.29480	4.7
441.29535	7.5
491.35052	7.2
508.35828	2.4
509.35895	5.3
515.71259	2.6
521.35870	9.5
541.23529	3.7
541.55243	2.6
583.41785	13.9
586.37518	3.4
601.25403	9.9
601.42981	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03954	1.3
55.05491	4.7
57.07073	7.5
59.04993	3.4
65.03931	2.2
67.05500	11.8
69.03426	6.0
69.07056	5.1
69.55847	2.2
69.56266	8.2
71.04987	1.7
79.05487	10.7
81.07045	15.8
83.04961	3.2
83.08612	3.2
85.06519	3.0
91.05463	18.0
93.07034	29.1
95.04955	6.8
95.05471	1.0
95.08598	18.5
97.06510	4.3
98.20676	1.0
103.05422	1.4
105.07022	30.2
107.05019	1.7
107.08585	19.1
109.06516	11.0
109.10175	6.7
111.08069	2.9
111.36394	1.1
115.05434	1.3
117.07034	6.7
119.08566	34.7
120.08842	1.7
121.06500	4.1
121.10137	18.9
123.08048	12.6
123.11667	2.3
125.05997	3.9
128.06213	3.2
129.06990	4.6
130.07814	2.8
131.08566	15.4
133.06535	2.2
133.10118	22.0
134.10471	2.3
135.08069	11.0
135.11682	7.4
136.08418	1.3
137.05951	1.5
137.09576	10.9
139.11159	1.6
141.06990	2.7
142.07770	5.5
143.08583	11.3
144.09299	1.4
145.10104	27.5
146.10457	2.7
147.08023	17.5
147.11664	5.7
148.08257	1.4
149.09552	5.3
151.07542	11.7
155.08517	5.7
156.09320	4.2
157.10121	18.9
158.10846	1.8
159.08080	3.7
159.11679	13.1
160.12146	1.6
161.09605	4.4
161.13211	6.1
163.11163	8.2
165.07083	1.7
165.09100	43.2
166.09468	1.8
167.08572	2.9
168.09459	1.3
169.10115	8.2
170.10832	2.5
171.11664	9.6
172.12253	1.3
173.09604	1.8
173.13271	6.7
175.11185	5.0
175.14827	4.7
179.08609	2.2
179.10649	1.5
181.10130	4.5
181.12263	9.3
182.10872	2.6
183.11636	8.9
184.12418	1.5
185.09557	2.2
185.13254	6.3
187.11198	1.9
187.14810	4.2
189.12778	3.9
190.13423	1.6
191.10696	1.3
191.14319	2.7
193.10153	2.5
193.12273	2.4
194.10957	1.8
195.11703	5.7
196.12457	2.2
197.13219	7.5
198.13695	1.5
199.14937	2.3
200.42276	1.2
201.12772	3.5
201.16310	1.5
203.14319	16.7
206.10808	1.5
207.11713	4.2
207.13818	5.4
208.12393	2.6
208.14212	1.2
209.13242	5.4
209.15184	2.4
211.14822	5.1
213.12715	1.9
213.16389	1.7
221.13318	4.6
221.15334	100.0
222.15742	8.9
223.14803	4.0
225.16388	1.6
227.14240	1.7
231.17348	1.9
233.13226	1.8
234.16087	2.6
235.14644	2.5
235.16750	2.5
237.16443	2.8
239.14346	1.4
239.17900	2.0
241.19490	1.6
247.17007	5.7
248.17296	3.0
249.16431	2.3
274.19290	1.8
275.20236	1.3
277.19595	1.2
283.20599	1.5
286.19278	2.4
287.20172	6.3
288.20297	1.2
299.20020	4.2
300.20718	5.0
301.21588	4.7
311.19989	2.2
312.20654	1.3
313.21423	2.7
325.21512	1.5
326.21942	2.1
340.23651	1.8
341.24527	1.5
349.25143	1.9
352.24091	3.7
353.24420	5.1
366.25061	1.6
367.26242	6.7
375.26923	1.8
391.26624	1.7
393.28094	2.8
440.29462	2.4
441.29599	5.9
491.35065	9.4
509.35904	6.4
521.35999	8.2
565.40979	1.5
583.41418	10.5
601.42395	40.0
602.42297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05508	8.2
56.97374	2.8
57.03434	3.7
57.07071	13.5
65.03952	2.6
65.34753	2.7
67.05501	12.9
69.03451	2.8
69.07063	10.5
71.08650	6.2
71.63194	4.8
79.05486	16.9
81.03421	5.0
81.07063	23.2
83.08581	3.3
89.06026	73.6
91.05475	21.1
92.05798	4.1
93.07041	23.3
95.04964	10.2
95.08606	19.0
96.37641	3.2
97.06509	5.8
103.05505	4.4
105.07037	39.6
106.07377	3.8
107.08602	25.9
109.06549	13.4
109.10125	8.1
115.05458	4.6
116.62880	2.7
117.06998	9.9
119.08571	28.2
120.08900	5.0
121.06510	4.4
121.10136	17.7
123.08055	14.0
128.06186	15.6
129.07005	18.5
131.07085	3.7
131.08585	24.8
132.08968	3.5
133.06496	4.2
133.08601	45.6
133.10104	14.6
135.08084	3.5
135.11723	5.9
141.07025	10.2
142.07741	18.6
143.08572	56.8
145.06516	3.5
145.10115	24.5
146.10471	3.2
147.08092	7.0
147.11707	5.6
149.09718	6.3
149.40671	2.9
151.07553	4.9
153.06999	11.5
155.08537	24.1
156.09283	3.4
157.10135	49.7
159.08054	8.0
159.11722	11.5
161.09669	24.5
165.09068	4.3
165.65062	3.1
167.08560	3.6
167.10732	9.6
168.09352	47.7
169.10112	11.2
171.11685	12.3
173.06018	4.3
173.09612	5.0
173.13258	8.0
175.11166	4.9
177.11270	14.5
181.10098	4.7
183.11688	100.0
184.12277	3.9
185.13307	5.8
187.07558	13.2
189.16541	3.3
193.10049	3.9
197.13322	3.9
199.14822	74.3
201.12743	17.0
211.11186	11.9
217.15878	66.6
221.15456	6.3
222.13503	3.6
222.15775	3.5
223.14612	4.2
229.12234	46.7
233.15280	4.7
235.16943	13.4
235.21457	3.0
247.13240	5.1
259.16962	4.6
271.13510	2.9
289.14758	3.7
311.75864	3.0
415.25436	16.7
582.40173	3.6
600.41498	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.8
57.07069	12.6
59.04979	4.8
59.13560	3.4
66.63234	3.5
67.05488	12.6
69.03425	7.3
69.07055	6.7
71.38341	8.3
77.04610	3.7
77.14702	4.6
79.05486	13.3
81.07060	24.2
83.04951	6.2
83.08641	4.4
85.06532	4.8
89.06026	6.1
89.18526	3.8
91.05466	29.1
91.32124	3.8
91.61874	3.9
93.07053	31.3
95.04981	7.5
95.08602	20.5
97.06558	4.5
103.05386	5.8
105.07024	43.1
107.08590	22.6
109.06511	9.4
109.10141	10.1
111.08089	4.2
117.07004	13.3
119.08572	56.9
120.08851	4.5
121.06486	5.8
121.10093	20.9
123.08039	16.0
125.05991	5.4
129.06981	9.9
131.07729	4.2
131.08557	24.6
133.06479	8.6
133.08577	9.1
133.10172	20.8
135.08054	17.8
135.11670	11.6
137.09608	16.8
142.07805	8.1
143.08577	19.1
144.09343	6.4
145.10123	34.4
147.08038	23.1
147.11729	5.0
148.08469	5.9
149.09584	8.8
151.07510	14.2
155.08536	9.8
156.09317	9.9
157.10144	36.2
158.10826	6.5
159.08101	8.1
159.11731	24.5
161.09612	11.7
161.13264	6.5
162.11685	4.3
163.11165	14.0
165.09128	51.8
166.09351	4.4
168.09282	4.2
169.10149	17.4
170.11084	4.5
171.11661	17.6
172.12430	4.3
173.09557	7.6
173.13229	9.6
175.11186	17.3
175.14864	4.5
178.09894	4.6
179.08524	5.1
181.10217	9.0
181.12234	13.4
182.11002	4.5
183.11684	17.0
184.12242	5.2
185.13202	10.9
187.11200	4.9
187.14748	5.4
189.12657	6.0
190.13539	7.4
191.10695	4.9
193.12277	9.8
195.11662	9.7
196.12283	4.9
197.13228	12.1
199.11133	4.8
203.14378	22.6
205.12222	4.2
206.10941	4.2
207.11723	7.4
207.13680	8.2
208.14499	4.5
209.13191	10.8
211.14798	7.8
219.13702	7.4
221.15353	100.0
222.15744	17.6
223.14825	4.3
225.16345	5.3
233.15376	5.0
234.16087	21.2
247.17003	22.4
259.17081	5.4
274.19305	10.3
287.20087	10.3
299.20139	16.9
311.20148	4.7
312.20743	10.6
325.21579	11.1
340.23880	12.0
352.23929	32.8
365.24744	5.7
366.25092	5.4
419.29382	5.1
427.28674	9.2
435.20691	4.2
440.29379	28.5
442.30261	6.0
449.84866	4.3
507.34750	5.3
508.35315	17.5
520.35474	37.5
521.35999	5.1
582.40247	5.8
600.41370	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.3
57.07061	19.2
62.28982	6.7
67.05488	9.8
69.03422	7.8
69.07057	8.6
77.56032	7.2
79.05477	21.8
81.07050	27.6
83.08625	8.1
85.06519	7.2
87.25452	6.8
89.06049	9.0
91.05454	34.1
93.02573	7.0
93.07069	42.9
95.04953	20.6
95.08584	24.0
97.06522	8.9
98.21617	13.0
105.07009	63.5
107.08589	33.0
109.06510	14.2
109.10155	17.2
109.37801	7.5
114.76944	8.0
117.06985	12.7
119.08572	58.3
121.06475	9.6
121.10139	26.5
123.08016	14.1
129.06978	9.0
131.08582	24.4
133.08578	8.3
133.10086	25.4
135.08083	15.2
135.11661	9.1
137.09590	12.8
139.07552	9.3
143.08563	19.2
144.09300	8.9
145.10147	41.6
147.08008	36.8
147.11667	13.1
149.09612	15.0
151.07434	7.5
155.08571	11.5
156.09302	9.1
157.10085	45.3
159.11673	36.8
160.08757	9.4
161.09555	13.8
163.11171	22.8
165.09163	48.4
169.10104	16.0
170.10751	9.0
171.11641	17.0
173.09579	7.6
173.13301	12.0
175.11185	24.2
177.12744	6.9
179.08575	8.6
181.10080	8.5
181.12231	19.0
182.10959	8.9
183.11665	17.2
185.13188	8.7
189.12665	8.9
190.13512	9.6
191.10628	9.8
193.12154	14.3
195.11670	11.5
196.12241	7.1
197.13208	19.5
199.11272	9.9
201.12611	7.4
203.14287	27.1
204.14655	7.3
207.13759	15.3
209.13200	11.0
211.14835	8.8
221.13373	14.1
221.15367	100.0
222.15649	16.8
223.14722	8.7
229.79219	8.1
234.16136	18.5
239.14310	7.4
247.16916	29.3
274.19418	8.9
284.26917	7.2
299.20065	11.1
306.12418	7.8
340.24118	10.9
349.21494	8.8
352.23868	24.5
440.29202	32.1
446.05539	7.4
508.35669	12.5
520.35669	35.7
600.41382	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	601.337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87935	3.1
55.01849	3.6
55.05511	11.0
66.86643	3.2
67.05492	16.4
69.07069	7.3
70.17989	12.3
79.05491	17.5
81.03426	6.8
81.07053	38.5
83.08643	5.3
84.38913	3.7
91.05476	34.5
93.07030	28.8
95.04964	11.9
95.08592	14.4
105.07030	45.9
107.08571	23.9
109.06500	14.7
109.10169	14.0
115.05419	4.3
117.07019	16.0
117.83170	3.4
119.08591	24.1
121.06506	11.0
121.10151	16.1
123.08073	9.5
125.06024	4.3
128.06207	16.8
129.07027	18.8
131.04982	3.9
131.08560	29.9
133.06508	9.1
133.10152	19.9
135.08008	7.0
135.11688	4.7
141.06999	7.3
142.07771	15.1
143.08560	50.1
145.06503	5.5
145.10112	18.2
147.08043	13.9
147.11673	6.1
149.06013	4.6
151.07539	5.1
151.11185	5.7
155.08549	8.0
156.09262	3.8
157.10118	55.9
159.08040	21.6
159.11662	21.7
161.05960	8.3
161.09596	6.0
161.13330	6.5
162.06680	4.0
163.07545	19.2
165.05513	4.2
165.09029	7.5
168.09390	7.0
169.10132	6.7
171.11665	14.5
173.05969	4.7
173.09599	9.0
173.13191	7.3
175.07545	22.1
177.09087	6.1
181.10139	3.9
183.11678	27.4
184.12462	4.2
187.07524	35.1
187.11183	19.0
188.08044	6.6
189.09076	4.4
189.16376	5.3
191.07042	12.3
191.10667	10.1
192.07799	5.9
193.08582	20.4
199.14816	67.4
201.09064	8.0
201.12810	8.9
205.08568	6.7
207.10226	10.9
211.11185	6.9
212.42116	3.7
217.15839	37.6
218.09343	6.9
219.10132	100.0
219.13649	7.1
221.09630	7.5
223.09563	8.9
229.12248	57.4
233.11726	15.1
236.10413	5.2
247.13297	28.3
249.09021	4.7
251.12740	28.6
254.04137	3.9
259.16919	14.5
265.10870	4.9
279.09900	17.1
311.14896	48.9
375.25085	7.5
581.15283	4.8
588.84094	4.3
601.30908	3.7
601.41638	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	600.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66012	4.0
53.41521	4.3
55.05508	11.0
57.07085	7.2
63.20221	4.6
67.05519	26.7
69.03424	8.5
69.07084	22.4
69.20081	4.1
71.52589	5.5
73.36930	4.4
77.40949	4.4
79.05497	26.5
79.89105	4.3
80.05840	4.1
81.07050	56.3
83.04956	4.9
83.08614	9.6
84.04511	9.5
85.06554	7.5
87.48771	4.7
91.05473	36.6
92.05818	5.5
93.07053	49.2
94.07383	4.9
95.04955	27.0
95.08610	47.9
97.06532	12.5
105.07021	65.6
106.07352	9.1
107.04923	7.5
107.08594	46.6
109.06544	25.4
109.10152	23.9
115.05439	7.1
117.07019	19.0
119.08588	48.2
120.08941	5.9
121.06522	11.4
121.10120	46.3
122.10480	12.4
123.08049	30.1
128.06224	17.4
129.07001	23.7
131.08578	41.1
133.06445	6.0
133.10146	29.4
134.10555	5.0
135.08075	7.4
135.11668	6.7
137.09572	7.7
141.06995	11.2
141.17880	4.1
142.07822	26.7
143.08577	93.1
144.09233	8.2
145.06471	7.2
145.10139	40.5
146.10419	7.3
147.08031	16.5
147.11743	6.1
148.08429	5.1
149.09639	8.6
151.07535	15.7
155.08556	19.4
156.09363	14.8
157.10129	91.1
158.10483	6.9
159.08060	16.8
159.11691	34.2
160.11940	5.4
161.09648	20.2
161.13287	5.6
163.11182	6.6
165.09091	11.3
167.10698	41.4
168.09312	18.8
168.10912	12.3
169.10098	19.0
170.10632	5.3
171.07869	4.9
171.11711	21.9
173.05991	8.1
173.09601	8.8
173.13263	20.1
175.11211	8.9
175.14853	5.3
176.22594	4.9
181.10052	5.2
182.71846	5.1
183.11682	54.2
184.12296	9.1
185.13156	5.9
187.07542	13.3
187.11211	27.0
189.12685	5.9
189.16412	7.7
195.11650	7.8
197.13306	12.4
199.14809	100.0
201.12695	24.9
203.14178	6.9
207.13664	6.3
209.13084	6.7
211.11038	7.2
215.14255	5.7
217.15883	95.8
221.13350	9.3
221.15314	36.3
222.15736	11.4
229.12215	66.7
232.51212	4.5
233.15460	15.0
234.15825	6.4
235.16949	6.7
247.13066	26.7
259.16882	16.9
425.18622	5.1
508.35251	6.1
582.40192	9.4
600.41302	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
54.96307	1.8
55.05520	4.8
57.07084	2.3
59.04986	3.3
67.05499	6.3
69.03437	3.6
69.07069	2.5
72.39804	1.7
79.05492	5.6
81.07056	9.3
83.04996	2.3
83.08599	2.5
85.06551	4.6
91.05476	9.5
93.07047	14.8
94.74796	1.7
95.04990	4.2
95.08614	7.7
97.06548	3.7
105.07047	11.3
107.08620	10.0
109.06516	2.2
109.10163	4.4
117.07005	3.1
119.08600	14.4
121.10143	10.6
123.08091	3.9
125.06007	2.2
129.07056	3.3
131.08585	7.9
133.10139	8.2
135.08066	5.0
135.11685	3.3
137.09627	5.3
142.07820	3.8
143.08595	6.2
144.09315	2.0
145.10144	13.3
147.08067	10.8
147.11690	2.8
149.09671	2.3
151.07545	3.1
155.08595	3.8
157.10182	10.7
159.08064	2.3
159.11713	3.4
161.09608	3.9
163.11206	3.7
165.09113	14.2
169.10115	3.3
171.11714	4.0
173.09700	1.8
173.13284	2.6
175.11139	2.4
175.14827	2.6
180.09392	2.0
181.12320	7.5
182.12584	2.3
183.11739	6.3
185.13274	4.1
193.09990	2.5
195.11798	2.5
197.13322	3.1
199.11250	2.0
203.14360	4.5
205.53821	1.9
207.11797	2.3
207.13777	2.1
211.14780	2.7
221.15327	30.1
223.14873	3.4
225.12814	2.2
247.17021	3.9
299.20239	3.0
314.16730	2.6
338.16177	2.3
339.16299	5.7
352.17419	2.9
353.17853	6.0
354.18527	7.3
358.19217	2.4
367.19409	4.4
369.20782	18.1
379.19193	11.6
382.17682	2.3
397.20297	7.9
407.18716	3.5
409.20404	2.7
424.22922	2.7
425.19739	27.4
441.23389	2.3
447.17932	2.2
451.21399	18.0
452.22031	5.6
453.19183	4.6
455.24734	3.9
456.25516	5.7
461.19806	2.7
462.20596	4.1
465.23608	2.5
467.24414	4.3
468.21933	3.1
483.24173	3.7
484.24457	7.5
489.31024	2.3
511.23749	5.0
512.24219	54.5
518.34064	2.7
519.34308	4.8
521.22278	4.4
539.22931	57.8
581.39258	2.8
582.22388	2.6
599.25085	100.0
599.39911	20.9
600.24976	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01872	2.3
55.05511	13.5
57.07065	6.7
59.04993	2.9
65.03933	2.8
67.05514	22.5
69.03425	10.3
69.07058	18.2
69.35191	25.0
71.05008	2.3
79.05490	19.6
81.03403	3.7
81.07056	26.6
83.04981	6.9
83.08618	8.7
83.30601	2.3
85.06532	3.2
89.25117	2.2
91.05482	30.2
92.05778	2.0
93.07039	52.3
95.04974	16.9
95.08604	28.0
97.06540	8.1
97.40620	1.8
103.05512	2.8
105.07033	49.7
107.04974	2.5
107.08596	35.1
109.06532	11.2
109.10159	16.5
111.08066	4.7
111.11745	3.1
114.22978	2.3
115.05430	3.5
116.06195	2.0
117.07032	9.4
118.87081	2.2
119.08575	52.4
121.06503	9.1
121.10139	60.0
123.08054	22.9
123.11716	3.8
125.09626	4.7
128.06219	5.8
129.07031	7.2
130.07761	4.9
131.08582	24.1
133.06499	4.0
133.10120	31.8
135.08028	10.2
135.11621	11.4
137.09637	8.2
139.11209	9.1
141.06982	2.9
142.07751	12.3
143.08543	19.1
144.09314	5.9
145.06393	2.8
145.10118	32.8
147.08057	15.6
147.11656	12.0
149.09593	18.3
151.07538	22.8
151.11172	3.4
155.08560	10.3
156.09367	10.0
157.10133	31.2
158.07349	2.2
158.11011	3.0
159.08055	9.8
159.11716	19.6
160.19809	2.1
161.09651	8.7
161.13274	5.0
163.11203	7.2
165.07011	4.0
165.09088	19.6
167.08624	4.0
167.10666	86.0
168.09377	4.6
169.10129	18.7
170.10852	3.3
171.08028	2.4
171.11661	17.7
173.09628	7.7
173.13245	11.4
175.11182	4.5
175.14841	8.5
177.09155	2.5
177.12822	2.8
179.08650	4.4
179.14313	2.3
180.09407	4.1
181.10179	7.1
181.12273	7.0
182.10910	6.0
183.11688	13.7
185.09662	6.1
185.13269	10.3
187.11192	4.0
187.14865	7.0
189.12769	11.8
191.14278	5.6
192.09251	2.5
193.10167	6.6
194.10890	4.8
195.11737	11.1
197.13274	14.2
199.11221	6.1
199.14830	9.8
201.12794	3.1
201.16386	3.2
203.14345	10.8
205.10027	3.8
206.10895	3.0
207.11728	9.2
207.13843	6.5
209.09549	2.7
209.13304	12.2
209.15244	3.5
211.11203	3.1
211.14862	6.9
213.12807	2.9
213.16331	3.7
215.10590	2.4
215.14243	5.5
219.11836	3.2
221.13220	9.1
221.15413	34.5
223.11282	4.3
223.14917	8.4
225.12810	4.3
225.16411	3.0
227.14217	3.0
229.16010	2.9
231.11679	3.0
233.13263	5.3
233.15343	37.1
234.13994	2.9
235.14888	6.4
237.12758	4.8
237.16542	2.9
239.17970	3.8
243.11571	2.5
245.13229	3.8
247.14848	7.0
247.17119	4.1
248.15811	2.9
249.16397	3.3
251.14207	2.8
251.18002	5.3
258.13980	2.8
259.14880	3.9
261.16394	3.6
263.14536	2.3
263.17889	3.0
279.17297	2.9
285.18613	4.0
287.20035	3.3
299.20163	7.2
311.20157	4.6
365.24713	3.6
377.24902	5.8
391.26529	4.2
393.24097	3.6
507.34680	3.6
543.35699	2.8
553.40564	2.6
563.38971	5.0
571.41718	4.1
581.39685	27.6
599.40900	100.0
618.29803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01871	2.2
55.05505	5.3
56.09122	1.7
57.07067	7.5
59.04992	2.9
67.05511	11.8
69.03436	9.5
69.07076	4.4
75.85361	1.7
79.05490	14.3
81.07059	19.6
83.04997	4.3
85.06525	3.7
91.05490	18.9
93.07039	35.3
95.04969	7.6
95.08599	17.9
97.06519	5.1
103.05442	2.8
105.07034	34.4
107.08616	15.0
109.06525	5.9
109.10148	10.2
111.04402	2.7
111.08070	2.7
115.05445	2.1
117.07023	6.2
119.08583	34.4
121.06515	6.7
121.10143	23.0
123.08104	15.7
123.11720	2.7
125.05991	3.9
128.06232	4.5
129.07025	8.8
131.08582	14.3
133.06474	2.8
133.10118	17.0
135.08070	14.1
135.11678	6.2
137.09608	14.0
139.07512	2.9
141.07048	2.5
142.07765	11.6
143.08604	10.0
144.09322	3.1
145.10107	22.5
147.08046	26.5
147.11662	4.6
149.09630	7.1
151.07550	11.9
154.07718	2.4
155.08575	8.6
156.09361	7.3
157.10130	23.4
159.08110	5.4
159.11751	11.2
161.09608	5.4
161.13290	7.8
163.11145	9.5
165.09117	49.7
167.08554	3.9
167.10693	7.9
168.09396	5.6
169.10159	7.9
170.10892	3.4
171.11658	15.8
173.09662	5.1
173.13284	6.6
175.11191	4.0
175.14824	3.4
181.10167	5.3
181.12239	7.0
182.10896	2.8
183.11670	13.6
185.13283	9.7
187.11188	4.0
187.14828	5.4
189.12782	5.0
191.10674	4.8
193.10158	2.5
195.11737	7.3
197.13251	9.9
199.07509	2.8
199.11136	2.6
199.14835	3.4
203.14326	20.4
206.10912	2.4
207.11711	5.7
207.13881	6.4
209.13286	6.6
211.11148	2.4
211.14885	6.4
213.12793	3.0
215.14285	3.7
221.15358	100.0
223.14728	2.5
225.12717	2.0
231.13893	2.6
233.15279	10.2
235.14806	3.4
239.18037	2.9
247.17001	15.6
263.18033	3.3
281.19089	3.1
285.18985	2.4
286.19116	2.9
287.20117	8.2
293.19034	2.6
297.18622	2.2
299.20078	7.5
301.21747	2.4
311.20038	2.8
340.97382	2.1
365.24939	2.1
391.26379	11.6
419.29483	3.1
427.28546	4.3
507.34946	9.2
519.34406	4.2
539.22589	3.0
570.26434	2.3
581.39911	5.1
599.25098	7.4
599.40930	71.0
613.45898	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	599.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01876	0.6
55.05499	1.4
56.40588	0.6
57.03440	0.6
67.05492	2.3
69.03434	0.7
69.51021	4.7
70.06570	0.7
70.97477	0.5
78.04698	1.5
79.05482	2.1
81.03394	2.4
81.07036	1.8
83.04964	1.1
83.08601	0.7
85.02882	1.6
91.05475	1.7
91.22561	0.6
93.07042	1.7
95.04958	1.2
95.08603	0.8
97.02879	0.8
97.06542	1.1
97.60245	0.5
98.21416	1.3
103.05523	0.9
105.07018	1.8
106.04172	0.7
107.04939	1.2
107.08611	0.8
109.06544	0.7
109.10169	1.7
111.04427	0.6
115.05463	0.8
119.08560	0.7
121.06425	0.7
121.10121	1.0
122.03658	0.7
123.04417	4.2
124.05209	1.5
128.06230	0.8
131.04883	0.7
135.04456	0.7
137.05972	6.4
145.02998	0.6
149.06073	1.0
151.03905	1.7
152.04669	1.6
157.06488	0.5
161.05965	1.2
167.07036	100.0
168.07339	6.0
173.05966	0.7
173.11613	0.7
175.07535	1.4
175.94835	0.5
181.04846	1.1
181.08611	0.9
187.07542	0.7
193.08595	4.8
205.08588	1.2
209.08022	0.7
211.09674	3.5
217.55472	0.7
219.10136	0.6
224.41777	0.6
300.09866	0.8
301.48880	0.6
343.04724	0.5
519.90558	0.7
599.31708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03216	0.3
57.03439	2.7
61.02924	2.3
64.68655	0.3
68.99780	0.4
69.03426	4.2
70.00513	1.6
70.56656	0.3
71.01324	0.7
73.02914	10.8
79.64622	0.3
81.03396	1.4
85.02418	0.6
85.02899	8.7
91.03929	0.4
93.03397	0.5
95.04935	0.3
97.02889	5.0
97.18512	0.3
98.20763	0.3
99.04434	0.3
103.03936	0.3
109.02868	1.0
111.00795	1.0
115.03915	2.5
121.02826	0.6
127.03925	2.1
133.04959	2.1
137.02332	3.7
137.99477	0.3
145.04929	2.5
149.02290	0.3
153.01822	3.7
163.03909	0.8
163.05980	0.4
165.01836	2.2
173.05908	0.5
183.02887	1.0
201.05486	1.7
229.04985	4.9
247.05986	0.8
257.04437	3.4
274.04715	1.0
274.76978	0.3
285.03931	1.2
303.04977	100.0
304.05298	1.2
309.49713	0.3
343.61380	0.3
345.05945	0.9
447.09140	0.4
465.09894	0.9
576.84204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1813
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.26579	3.1
55.01866	8.5
57.03416	4.2
67.05495	4.0
69.03419	10.2
69.31040	3.1
70.06572	8.3
70.11645	16.5
73.02899	10.5
74.56345	3.2
81.03403	7.3
85.02902	31.4
91.05465	5.3
93.03406	9.3
95.04984	5.0
97.02858	17.6
98.68476	3.9
103.03909	3.7
105.03380	4.8
107.04951	19.4
109.02878	16.0
111.04403	9.1
116.07094	3.7
119.04916	9.2
121.02867	19.3
121.06480	5.5
123.04398	11.7
127.03895	5.0
131.04938	5.1
133.02762	4.0
133.06508	4.3
135.04414	14.7
137.02341	5.9
139.03897	6.5
147.04384	23.3
149.02252	5.4
151.03900	7.1
153.01804	5.8
159.04379	11.2
161.05913	4.8
163.03926	9.7
165.01808	9.2
171.04387	5.9
173.02428	3.7
173.05960	6.3
175.00233	3.6
175.03888	6.3
175.11893	9.2
177.01775	16.1
177.05469	9.7
179.03387	4.1
183.02818	4.1
185.06102	3.4
187.03886	10.8
189.01817	17.3
191.03430	16.6
195.02914	34.4
201.01753	5.6
201.05450	16.9
203.03433	10.5
205.01300	8.7
205.05058	7.4
207.02888	41.3
213.05389	3.6
215.03386	12.9
217.01233	5.6
219.02901	75.7
221.00960	4.1
221.04503	6.9
223.02394	11.1
225.03880	21.1
227.03415	6.1
229.04973	20.0
231.02856	45.4
233.04434	23.4
237.03960	23.4
243.02884	23.8
243.06560	7.0
245.04443	6.5
247.05904	5.5
249.03899	15.5
255.02921	5.1
257.04483	17.0
261.03915	92.9
269.04471	5.0
271.06021	4.8
273.03906	30.9
275.05411	4.0
285.03912	42.3
291.05002	26.0
297.03989	12.4
297.07617	11.2
299.05533	9.8
303.05020	100.0
304.05246	5.4
309.07410	5.5
315.05026	8.8
321.06314	17.2
325.06784	4.5
327.04938	40.0
327.08655	22.5
339.08374	36.2
345.06012	10.5
351.04846	4.4
351.08667	17.1
357.05734	6.5
363.07147	31.5
375.07123	7.9
381.09787	32.0
387.07190	10.8
393.09348	26.2
405.08438	32.8
407.79843	3.4
409.08798	3.7
411.10593	11.7
417.09549	7.7
423.10178	23.0
429.11969	29.7
441.11182	32.7
447.11349	23.4
459.13028	25.8
465.11328	8.3
477.11984	4.3
483.12753	14.8
489.11923	8.0
495.12857	13.6
525.13538	11.8
543.14832	8.3
597.23218	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	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13117	2.7
53.03939	5.1
55.01856	8.7
55.05507	54.2
57.03437	15.7
58.24123	2.8
59.04984	5.4
61.02897	6.4
65.03900	2.9
67.05499	100.0
69.03441	7.2
69.07040	10.6
70.06565	2.9
71.04978	6.4
71.66026	5.7
79.05490	30.0
81.03402	16.2
81.07051	31.8
83.04966	10.8
83.08607	22.3
85.02892	29.2
87.04467	8.9
91.05465	15.3
93.07027	16.8
95.04959	11.3
95.08585	12.6
97.02875	6.7
97.06518	6.1
97.09598	4.4
97.10157	36.9
103.03950	16.5
105.07031	11.8
107.04932	7.6
107.08601	22.0
109.10152	70.7
111.04461	4.5
111.08090	5.6
112.07563	3.2
117.07023	3.8
119.08569	10.5
121.10134	9.3
123.08026	3.7
125.09621	42.8
131.08530	5.8
135.11646	6.0
137.09595	5.8
143.10686	6.8
145.10100	7.2
148.65466	3.1
149.09615	3.8
153.12735	9.9
155.10638	5.5
163.11203	19.9
167.07034	2.9
173.09758	2.6
173.10100	3.5
173.11708	41.0
181.04968	3.3
181.12225	9.0
187.35841	3.4
191.10698	4.4
199.13275	9.3
209.11708	12.9
217.14409	5.5
223.30545	3.0
227.12811	15.6
229.14331	62.1
245.13744	4.4
257.13852	25.0
283.15372	16.0
296.38766	2.8
301.16470	36.8
319.17523	7.5
386.96979	3.3
397.02600	3.5
596.33148	4.6
600.86377	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	597.1447
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01860	1.0
57.03433	1.8
59.05000	0.2
61.02924	2.2
68.99795	0.5
69.03069	0.3
69.03426	3.6
70.10624	0.5
71.01333	0.5
71.04981	0.4
73.02914	11.0
81.03423	0.9
85.02901	8.7
87.04446	0.6
91.03946	0.4
95.04956	0.2
97.02892	4.9
98.20899	0.2
99.04428	0.2
103.03914	0.2
107.09544	0.2
109.02870	0.8
111.00801	0.9
115.03926	2.8
121.02862	0.8
123.04397	0.2
127.03905	2.1
133.04962	2.3
135.04343	0.2
135.54622	0.2
137.02328	2.8
137.03284	0.3
145.04958	2.3
145.06256	0.2
145.06488	0.2
147.05374	0.1
149.02315	0.5
151.03845	0.2
153.01834	3.5
161.05978	0.3
163.03867	0.5
163.06010	0.4
165.01819	1.9
166.02580	0.2
173.05956	0.3
183.02861	0.6
183.04343	0.2
187.03899	0.2
190.56815	0.1
195.02847	0.2
201.05479	1.3
219.02968	0.2
219.06505	0.2
223.05930	0.2
229.04958	3.9
241.06976	0.3
247.05977	0.7
257.04431	2.6
274.04794	0.6
275.05417	0.2
277.09122	0.2
285.03894	1.4
287.05444	0.3
299.05331	0.2
303.04977	100.0
304.05359	1.1
326.39090	0.2
333.95529	0.1
345.06100	0.5
405.06787	0.2
440.81268	0.1
447.09207	0.2
465.10535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.05502	13.7
65.03959	3.1
67.05499	21.2
69.03461	2.8
69.07060	10.1
69.39990	28.0
79.05489	18.5
79.35324	3.3
81.07061	41.0
82.33263	2.8
83.08607	3.5
90.09581	2.7
91.05478	47.6
92.04971	2.7
92.67355	3.0
93.07037	42.3
95.04977	5.4
95.08603	30.3
97.06496	3.3
105.07027	79.1
107.04931	3.3
107.08590	39.8
109.06525	3.2
109.10157	11.7
115.03946	33.7
115.05452	9.0
117.07014	27.6
119.08573	55.0
121.06509	5.1
121.10147	17.5
123.11684	3.8
128.06215	19.4
129.07024	29.2
130.07755	5.9
131.08562	46.6
133.10149	27.9
135.08029	5.8
135.11687	8.8
141.06990	11.5
142.07784	27.3
143.08546	73.3
144.09331	8.4
145.10117	66.2
147.11713	21.0
149.13264	6.2
153.06972	7.7
155.08559	37.6
156.09357	14.4
157.10135	72.1
159.11697	54.1
161.09621	3.4
161.13272	22.6
163.11169	9.1
163.14824	4.6
165.07072	7.9
166.07727	3.8
167.08543	14.1
168.09372	7.7
169.10121	26.2
170.10905	5.6
171.11682	36.2
173.09569	3.7
173.13249	17.3
176.19041	3.6
179.08543	8.6
180.09378	3.8
181.10085	16.0
182.10913	18.2
183.11696	31.6
184.12428	6.0
185.13263	29.4
187.14867	15.0
189.12750	3.6
191.10529	3.8
193.10112	5.4
194.10968	7.8
195.11703	28.0
196.12485	7.8
197.13240	59.1
199.11142	4.6
199.14836	100.0
201.12674	4.5
201.16382	28.4
203.14391	4.2
207.11682	9.3
209.13257	21.2
210.14119	3.9
211.14801	17.6
213.12810	14.7
213.16333	22.5
215.14339	19.7
215.17943	11.1
217.15918	12.4
219.11610	7.6
221.09894	3.2
221.13237	6.4
223.14844	7.6
225.16405	11.3
229.15967	3.9
230.10989	3.2
231.13846	8.8
231.17332	4.0
232.12482	3.6
233.13272	6.7
234.14017	3.9
235.14917	11.7
237.16411	12.2
239.17932	8.5
241.16000	5.5
241.19336	3.6
243.17302	3.7
247.14925	5.6
249.16443	16.7
251.18069	15.3
253.19507	3.9
257.15448	6.3
259.16998	10.4
261.16397	5.6
263.17950	6.7
265.19479	5.5
267.17282	4.4
271.14664	3.8
273.16315	4.1
275.18033	3.6
285.16202	4.0
289.19553	4.4
303.21042	3.9
304.31479	3.0
313.19431	4.6
327.20755	5.0
341.22623	7.7
355.24457	3.4
357.25717	6.5
361.28937	9.6
384.51944	3.2
397.28925	41.9
415.30087	25.3
433.30978	13.5
457.31100	26.3
475.32242	21.3
517.33044	12.5
535.34052	47.9
577.35034	4.5
582.21832	3.9
595.36322	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03934	1.2
55.01860	0.6
55.05507	1.3
65.03930	0.9
67.05500	3.2
69.03407	1.4
69.07079	1.0
71.04967	0.5
71.64316	0.6
79.05489	5.1
81.03404	0.4
81.06573	0.9
81.07053	15.7
91.05473	10.5
93.07044	10.1
95.04987	3.1
95.08605	3.5
95.78214	0.4
97.02828	0.4
97.06507	0.4
103.05447	1.3
105.07028	13.3
107.04926	1.7
107.08595	9.9
108.09425	0.5
109.06506	3.2
109.10173	1.0
115.05435	2.8
116.06232	1.0
117.07019	6.1
119.04932	1.7
119.08579	5.9
121.06500	3.7
121.10142	1.4
123.07974	0.5
125.05928	0.4
128.06216	6.3
129.06995	8.0
130.07771	0.7
131.04901	0.8
131.08562	26.7
133.06464	1.8
133.10136	4.6
135.04373	1.2
135.08063	0.9
135.11653	0.9
141.06982	5.8
142.07779	8.1
143.08562	17.0
144.05688	0.6
144.09322	1.9
145.06493	6.6
145.10110	10.8
147.08031	1.9
147.11700	2.6
149.05965	2.4
152.06218	0.6
153.06987	7.1
154.07719	1.6
155.08537	16.4
156.09312	0.8
157.06409	0.5
157.10124	14.2
158.07280	0.8
158.10896	1.7
159.04456	2.2
159.08051	11.7
159.11691	7.3
160.08803	1.0
161.05969	1.0
163.07565	0.7
165.07025	0.9
166.07745	1.0
167.08505	2.0
168.09346	20.8
169.06520	0.6
169.10112	3.2
170.10863	0.8
171.08014	2.1
171.11678	1.4
172.08763	1.4
173.05995	6.2
173.09627	3.8
173.13260	17.8
175.07547	1.2
175.11179	1.7
177.09142	0.6
178.07721	0.6
181.06483	1.8
181.10127	2.9
183.11693	46.8
184.12114	0.6
185.09642	1.3
185.13254	2.4
186.10301	2.1
187.07538	9.1
187.11134	2.8
189.09091	0.5
193.10152	3.6
196.08829	1.8
199.07391	0.5
199.11191	0.9
200.08319	0.5
201.12735	31.4
203.10686	1.0
211.11176	16.0
211.13208	0.7
214.09897	0.4
219.13783	7.7
229.12227	100.0
230.12552	1.5
232.12587	0.4
247.13286	20.7
248.13611	0.5
289.14319	5.0
319.16766	0.4
319.52438	0.4
320.16183	0.5
429.24359	0.5
489.66077	0.6
504.05420	0.5
535.26801	0.6
595.28790	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	595.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.93341	0.4
55.01869	0.6
55.05488	1.7
65.03934	1.7
67.05503	3.5
69.03409	1.6
69.07063	1.4
69.43050	0.5
69.43362	5.3
77.03969	0.7
77.05961	0.5
77.06455	0.4
78.69564	0.4
79.05112	0.5
79.05489	5.3
81.03411	0.6
81.07055	7.9
83.04949	0.7
91.05470	11.9
93.07045	8.5
95.04970	2.8
95.08582	2.1
95.71907	0.5
97.06478	0.6
103.05459	0.6
105.07028	15.3
107.04938	1.3
107.08586	21.4
109.02853	0.5
109.06496	2.9
109.21223	0.4
115.05450	3.1
116.06251	0.8
117.07037	5.0
119.04921	1.7
119.08577	6.4
121.06511	3.5
121.10117	1.1
123.04443	0.9
123.08005	0.7
128.06210	5.5
129.06996	8.7
130.07774	1.6
131.04916	1.3
131.08562	26.5
133.06462	2.7
133.10118	5.7
135.04442	0.7
135.08003	0.9
137.06053	0.6
141.06981	6.9
142.07774	8.8
143.07465	0.9
143.08551	15.8
144.09294	2.2
145.06479	8.9
145.10120	10.3
147.08022	2.3
147.11665	1.6
149.05931	2.4
152.06189	0.8
153.06979	8.5
154.07768	1.5
155.08551	17.0
156.09241	1.1
157.10118	15.9
158.07280	0.9
158.10913	1.6
159.04407	1.8
159.08060	11.3
159.11673	5.6
160.08797	1.1
161.05934	1.4
165.06973	1.3
166.07773	0.7
167.08583	2.3
168.09338	24.1
169.06461	0.9
169.10107	3.3
170.10854	0.4
171.08022	1.7
171.11632	1.6
172.08751	1.2
173.05984	9.7
173.09628	4.5
173.13261	16.1
175.07585	1.1
175.11166	1.5
177.09090	0.4
178.07742	0.9
181.06490	1.8
181.10048	2.6
183.11685	55.2
184.12212	0.7
185.09589	1.3
185.13257	2.2
186.10396	1.3
187.07509	6.4
187.11203	3.7
189.08992	0.5
193.10130	4.6
193.32471	0.4
196.08824	2.0
199.07646	0.7
199.11142	1.1
201.12733	29.2
203.10623	0.5
211.09236	1.0
211.11171	16.8
214.09904	0.7
219.13811	1.9
227.10818	0.7
229.12225	100.0
230.12589	1.2
247.13266	7.2
289.14322	9.7
346.15805	0.5
517.25751	0.7
535.26971	4.4
595.31097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02048	0.7
53.03938	1.3
55.01862	2.4
55.05497	1.5
57.03425	1.2
62.98972	0.7
65.03924	5.0
67.05493	3.5
69.03413	3.4
69.07052	1.6
69.51543	7.7
70.06592	1.6
71.04974	1.0
73.02901	2.9
79.05473	5.9
81.03399	4.2
81.07036	2.4
82.04195	2.1
84.04459	1.0
85.02901	6.3
85.06532	2.1
86.09690	2.9
91.05484	14.3
92.06255	1.6
93.03378	1.0
93.07040	2.0
95.04950	4.0
95.08582	2.5
97.02875	3.2
97.06522	2.7
103.05456	3.9
105.03376	1.3
105.07023	4.9
107.04954	18.4
108.02088	0.9
109.06527	1.3
110.03650	3.0
111.04442	1.3
115.05472	4.7
117.07008	3.8
119.04927	4.0
119.08574	1.9
120.05720	4.9
121.02884	1.1
121.06484	2.6
123.04405	2.3
124.05154	0.9
125.05943	2.6
127.03894	1.3
128.06198	1.1
129.06996	3.2
131.04895	4.5
131.08557	1.2
132.05653	1.5
132.80037	1.0
133.02855	1.5
133.06467	3.5
135.04395	3.9
137.05989	6.3
138.03093	2.1
142.02599	1.8
143.04906	2.1
145.06473	5.2
147.04395	6.5
147.08022	2.3
148.05145	6.5
149.05951	1.7
151.03947	1.5
151.07503	1.5
153.05479	2.5
155.05995	1.5
157.06494	2.4
158.07265	1.6
159.07997	1.4
160.05246	0.9
161.05980	5.4
163.03935	1.9
165.05481	17.2
166.06236	1.7
167.03464	1.3
167.07031	20.6
167.08495	0.8
169.06381	1.2
171.06500	3.1
171.07899	1.1
172.05145	1.4
173.05927	4.4
175.07564	2.1
177.05463	3.2
179.03445	2.4
179.07050	1.2
181.04945	100.0
182.05348	1.5
183.08072	1.6
185.05923	2.0
186.06709	1.2
187.07507	1.7
189.05479	2.1
190.06265	1.2
191.06895	1.1
193.08603	1.0
196.93568	0.9
199.07555	3.3
201.05469	2.7
203.06949	1.1
205.04974	1.4
205.08519	6.5
207.08099	1.4
208.07352	2.5
213.05376	1.6
219.06425	1.1
219.09944	1.0
220.07266	8.4
221.08066	2.4
226.08426	1.3
229.12032	0.8
233.08038	2.4
234.08777	1.9
235.09595	7.5
265.08655	1.3
286.04828	2.2
287.05353	1.6
291.10153	1.7
293.08148	0.9
301.07068	30.9
302.07458	1.3
307.09671	1.3
311.16296	1.4
355.11688	3.5
368.12650	1.7
370.14212	0.9
373.12842	1.2
385.12805	17.0
386.13232	1.5
398.13669	11.7
401.12180	2.4
415.13879	8.1
416.14627	81.1
430.12518	3.9
485.26813	1.4
551.20905	1.9
577.31439	1.2
595.20197	6.1
595.32324	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05509	6.9
55.35434	1.0
57.03439	7.5
57.07063	1.7
65.03929	1.2
67.05168	1.9
67.05506	26.7
69.07074	6.8
71.04978	1.5
71.65024	1.8
79.05491	14.9
81.03407	10.6
81.07055	28.0
83.08646	2.5
85.02886	1.7
88.39053	1.1
91.05477	8.9
93.07042	16.8
95.04968	1.3
95.08602	21.3
97.06533	2.3
97.10139	1.6
98.98462	23.7
99.04436	1.0
104.60567	0.9
105.07029	5.2
107.08604	7.8
109.02864	7.7
109.06491	1.0
109.10152	7.3
109.76275	0.9
117.07015	1.6
119.08575	4.6
121.10120	6.4
123.11706	2.4
123.44893	0.9
127.03929	1.9
131.08566	3.1
133.10097	3.2
135.11674	4.2
145.10068	2.8
147.11678	1.9
149.13249	3.1
155.01045	1.4
159.11714	1.9
161.13226	1.9
163.05914	1.4
173.02118	1.1
173.13249	1.7
175.14850	1.5
261.03769	8.8
261.22131	3.5
317.24744	2.3
335.07425	2.7
335.25800	100.0
336.25943	1.6
375.64618	1.1
466.14758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
58.75533	0.2
61.02911	0.7
62.75038	0.2
69.03423	1.1
69.59039	0.7
69.59444	1.4
71.04993	11.1
73.02928	0.3
75.04472	0.5
77.91172	0.3
81.03429	0.2
83.04970	0.6
85.02901	15.5
87.04478	0.3
88.62003	0.3
97.02869	1.1
99.04433	0.3
107.04975	0.3
109.02895	0.5
111.00806	0.4
111.04408	0.3
121.02848	1.6
127.03906	0.7
129.05482	3.1
136.66539	0.3
137.02325	0.7
145.04959	1.0
147.04401	0.3
147.06526	0.9
153.01848	2.2
157.06531	0.4
165.01842	1.4
183.02901	0.7
185.05984	0.5
213.05457	1.2
231.06540	0.3
240.32153	0.3
241.04982	0.8
258.05237	0.8
259.05893	0.4
287.05490	100.0
288.05762	1.1
329.06470	0.3
353.06372	0.3
424.08051	0.3
449.10788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Tectorigenin 7-O-[beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside]
Peak:m/z	Relative Intensity
55.01859	0.6
57.03438	1.7
61.02926	2.1
65.69395	0.2
69.03425	2.2
70.21651	0.4
70.22065	0.6
71.01331	0.6
73.02913	8.0
75.11612	0.2
77.55302	0.2
81.03403	0.7
85.02899	5.9
87.04424	0.4
87.77496	0.2
88.31547	0.2
91.03966	0.3
95.04959	0.3
97.02892	2.6
98.20812	0.3
99.04423	0.3
103.03941	0.3
105.03410	0.2
107.04971	0.7
109.02873	0.5
115.03909	2.1
121.02866	2.0
123.04454	0.4
124.01563	0.4
125.02347	0.4
127.03921	1.4
133.02805	0.3
133.04965	1.8
145.04965	1.2
151.03883	0.5
163.06078	0.2
167.03395	2.2
179.03358	0.7
191.75156	0.2
197.04274	0.2
199.07607	0.3
212.04626	0.3
227.07045	0.8
241.07088	0.3
245.08116	0.5
255.06520	0.4
257.04211	0.5
258.05215	3.1
272.06696	0.6
286.04703	3.3
301.07043	100.0
302.07315	1.9
343.08170	0.2
390.23782	0.2
391.72699	0.2
559.98474	0.2
593.01813	0.2
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	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
53.03930	0.3
55.01862	0.9
57.03430	1.7
59.04984	0.2
61.02917	1.5
69.03416	2.9
70.13345	0.4
70.13745	0.3
71.01329	0.3
71.04984	0.2
73.02912	9.1
76.71673	0.1
78.06186	0.1
81.03389	0.6
85.02895	6.1
87.04439	0.3
91.03928	0.3
91.05462	0.2
95.04939	0.3
97.02882	3.5
99.04436	0.3
107.04943	0.8
109.02856	0.5
115.03919	1.5
121.02856	1.6
124.01591	0.2
125.02370	0.2
127.03923	1.1
133.02869	0.2
133.04947	1.5
134.03490	0.2
145.04927	1.2
147.04405	0.2
151.03876	0.5
165.05496	0.2
167.03397	2.0
179.03378	1.0
181.05034	1.0
197.04448	0.3
199.07532	0.4
212.04724	0.3
227.07013	0.8
240.04140	0.2
245.08136	0.2
255.06496	0.4
257.04474	0.2
258.05237	4.0
272.06754	0.7
273.07355	0.2
286.04675	3.8
301.07031	100.0
302.07413	2.2
343.08160	0.2
385.13364	0.2
390.18036	0.2
416.14590	0.7
452.76331	0.2
463.12259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03931	1.0
55.01853	1.0
55.05499	1.7
55.42221	0.6
56.69907	0.6
57.03431	3.3
57.40310	0.6
59.72421	0.6
61.02893	0.7
65.03925	1.2
67.05502	0.8
69.03426	4.9
69.07056	0.9
70.06580	1.2
70.76915	2.2
71.04986	14.5
73.02890	3.8
73.06213	0.6
75.04472	1.0
79.05470	2.0
81.03395	2.7
81.07037	1.9
83.04967	1.8
85.02900	25.0
85.06507	1.0
86.09701	0.9
91.05468	2.1
91.51291	0.6
93.07056	0.9
95.04956	2.6
95.08566	0.8
97.02877	6.1
97.06496	1.3
99.04440	2.2
99.08112	0.8
105.07030	0.8
107.04956	1.8
107.08577	0.7
109.02827	0.6
109.10133	0.9
111.04424	2.1
115.03919	3.7
117.06962	1.0
119.04972	0.7
121.02866	1.2
123.04417	2.1
125.09526	0.6
127.03895	1.4
129.05484	6.8
133.06520	1.0
137.02293	3.2
137.05998	0.8
139.03896	0.9
143.08568	0.6
145.04916	1.2
145.06468	0.7
147.04361	1.0
147.06534	2.1
149.05963	0.7
151.03920	1.3
151.07552	1.1
153.05502	0.6
155.08517	0.9
161.06052	0.8
163.03903	1.4
165.05571	1.2
167.03371	2.4
167.07027	4.2
173.05954	1.1
179.03339	1.1
181.04973	5.6
181.06381	1.2
199.07520	2.2
205.08571	1.0
215.07034	1.4
223.11122	0.7
225.07558	1.2
235.09787	0.8
243.06517	3.1
270.16403	0.7
271.05984	1.4
274.04672	2.2
287.05515	1.3
288.05957	0.8
299.05649	1.6
301.07080	6.5
302.04230	1.9
311.16617	0.9
317.06540	100.0
318.06851	1.8
329.06589	3.7
355.08215	1.1
359.07590	3.7
367.08124	0.7
383.07764	3.3
385.12509	1.3
395.07581	2.0
413.08566	4.5
415.14099	1.3
416.14493	5.2
431.09900	1.8
449.10757	2.5
485.26987	1.1
577.31274	0.9
595.21545	1.8
595.32355	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	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05515	0.3
57.03438	1.7
59.04998	0.2
61.02919	0.5
66.02182	0.2
68.99790	0.2
69.03417	0.7
69.43495	0.4
69.43880	1.8
71.04995	10.1
73.02914	0.4
73.16092	0.2
75.04469	0.4
78.90428	0.2
81.03423	0.5
83.04977	0.4
85.02907	14.2
87.04460	0.3
91.03922	0.2
97.02894	1.1
98.21462	0.3
99.04470	0.3
103.03952	0.2
105.03355	0.2
107.04993	0.3
109.02882	0.3
111.00818	0.5
111.04441	0.3
121.02869	1.9
121.06546	0.2
127.03949	0.8
129.05479	3.2
133.02849	0.3
137.02347	0.5
141.07019	0.2
145.04955	0.8
145.06563	0.2
147.04427	0.4
147.06516	1.2
153.01828	2.8
157.06485	0.3
165.01845	1.5
177.87451	0.2
183.02905	0.6
185.06044	0.4
213.05508	1.1
220.68225	0.2
231.06535	0.7
241.05014	0.6
258.05295	1.1
259.06125	0.4
287.05502	100.0
288.05865	1.5
299.05588	0.3
329.06464	0.7
397.09140	0.2
442.58176	0.2
449.10825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.02081	0.3
51.21941	0.3
53.03932	0.4
55.01881	0.3
55.05492	0.4
57.03440	2.5
59.04997	0.3
61.02902	0.8
68.99779	0.4
69.03410	1.2
70.35232	1.4
71.04992	13.7
73.02900	0.3
75.04456	0.3
79.05456	0.3
81.03409	0.8
83.04977	0.6
85.02902	17.9
87.04472	0.4
91.07758	0.3
96.29257	0.3
97.02869	0.9
107.04951	0.3
109.02868	0.6
111.00794	0.6
118.10931	0.3
121.02848	2.5
127.03870	0.7
129.05476	4.2
133.02896	0.6
137.02327	0.7
145.04948	0.7
145.06490	0.4
147.04379	0.4
147.06477	1.1
153.01826	2.4
165.01845	1.6
183.02911	0.7
213.05527	0.9
230.01744	0.3
231.06528	0.7
241.04999	0.9
258.05292	0.6
259.06155	0.5
287.05493	100.0
288.05829	1.4
299.05420	0.4
329.06549	0.5
339.76498	0.3
449.10834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.3
63.51777	0.3
71.36716	0.9
86.54520	0.2
95.57444	0.2
102.02547	0.3
129.91502	0.3
154.52191	0.3
184.84268	0.3
212.39806	0.3
223.12268	0.4
330.02731	0.3
386.15576	0.4
388.16724	0.3
389.17578	1.0
401.17859	0.4
402.18439	0.7
403.19211	2.1
404.20096	0.7
405.20676	1.9
415.15201	0.3
416.19882	0.8
417.16544	0.9
417.21436	2.5
418.21884	1.4
419.17685	0.3
419.22495	3.2
430.17825	0.7
431.18124	6.9
431.23431	0.6
432.18704	2.2
433.24081	7.7
434.24527	1.2
444.19339	0.5
445.19897	8.2
446.20676	3.9
447.21707	4.8
447.26660	0.4
448.22540	0.6
449.23038	0.4
459.21463	3.7
460.22531	16.5
461.23285	14.0
473.23669	2.4
474.24136	1.0
476.26071	1.6
477.21732	0.4
477.27527	0.5
487.25226	1.3
488.25604	0.5
489.26303	1.2
491.23972	1.2
492.25110	1.2
503.21210	0.4
505.21857	6.1
515.23767	0.4
518.23163	0.7
519.23633	0.8
533.25464	53.2
534.26001	1.6
547.26935	0.5
561.25183	0.3
564.23401	0.7
565.27881	0.9
575.26550	0.7
578.25079	0.5
593.27539	100.0
594.27887	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	593.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97531	1.6
53.03936	3.1
55.01866	2.6
55.05518	5.2
57.03440	2.0
57.07066	4.0
58.06586	3.4
65.03944	2.3
67.05510	14.4
69.03428	20.6
69.07053	5.3
70.06593	6.4
71.04981	2.8
71.64937	2.9
73.02905	1.8
74.25490	1.4
77.99853	1.7
79.05476	9.1
81.03420	6.1
81.07056	16.9
83.01371	2.4
83.04964	3.7
83.06091	1.6
84.08112	3.9
85.02901	66.4
85.06531	11.5
86.09739	2.4
91.05447	11.1
91.41288	1.6
93.07030	12.9
94.51097	1.6
95.04981	4.3
95.08604	49.2
97.02877	10.2
97.06535	3.9
99.04446	5.8
103.05482	1.7
105.07037	27.1
107.08588	10.8
109.02878	3.9
109.06506	11.8
109.10156	27.6
111.04436	3.9
113.06025	4.9
117.07041	3.7
119.04913	2.3
119.08573	42.1
120.08080	3.1
121.06528	3.6
121.10160	18.7
123.08064	21.1
123.11703	66.6
125.05984	14.8
127.03899	17.9
129.07053	2.0
129.10265	1.8
131.08569	6.8
133.06502	3.3
133.10138	6.6
135.11685	5.0
137.05978	2.8
137.09619	2.8
139.07594	2.0
141.06996	1.6
143.08578	2.3
145.04994	3.3
145.06523	1.7
145.10135	10.6
147.04425	4.5
147.08049	5.6
147.11673	45.6
149.09590	23.5
151.07533	11.9
156.09369	4.1
157.10124	2.5
159.08046	2.4
159.11647	2.1
161.13219	8.0
163.11195	7.4
165.12785	5.3
167.10664	9.3
171.08109	1.9
171.11682	4.7
174.10419	7.2
179.14352	2.3
189.12732	57.4
191.14322	1.8
207.13797	100.0
208.14099	2.7
225.14844	27.4
251.09070	3.9
255.13687	1.7
264.73434	1.6
291.15836	2.8
291.44977	1.4
296.62500	1.8
333.16943	36.1
345.20767	2.2
351.18036	60.8
369.19077	27.9
387.20105	6.0
395.25833	3.3
399.68930	2.4
411.17114	1.9
593.23706	2.6
593.32971	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	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.6
55.05500	19.3
57.03429	13.1
60.19886	4.3
67.05502	32.4
69.03431	7.8
69.07059	13.9
70.06581	6.9
70.16045	28.9
70.16398	4.4
71.04975	5.1
75.42445	4.9
79.05491	36.2
81.03422	61.8
81.07063	36.6
83.04993	8.8
83.08620	21.8
91.05476	28.3
93.07035	23.4
95.04978	26.5
95.08585	12.5
96.08106	5.8
97.06482	9.9
97.10181	17.4
98.20818	7.5
99.08086	5.3
105.07029	27.6
107.04955	17.5
107.08596	18.5
109.06536	12.6
109.10139	9.0
111.08080	5.9
111.32103	5.1
115.05415	7.3
117.07021	13.9
119.08577	13.6
121.06487	13.2
121.10154	12.0
125.09615	16.3
128.06183	5.6
129.06995	7.8
131.08562	19.3
133.06494	10.0
135.08051	7.2
135.11708	5.7
143.08551	6.8
145.06470	8.8
145.10104	9.3
147.11708	10.3
149.09610	6.5
157.10159	14.3
159.11729	5.7
163.11238	5.7
165.08997	5.3
169.10167	6.4
171.08026	5.9
171.11641	6.1
175.11230	8.0
189.11180	10.7
193.08636	11.8
193.12297	21.6
198.45654	4.5
199.00385	4.4
205.10364	5.0
267.15909	45.3
273.14719	6.0
367.22781	25.5
384.56821	4.9
385.23721	43.2
403.24673	11.2
459.21136	8.2
459.27417	100.0
477.28522	77.9
491.29956	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	593.2751
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.39034	0.9
61.81831	0.7
70.60596	2.0
137.05699	0.7
154.36414	1.0
326.85110	0.8
389.17542	1.3
403.19360	2.3
404.19830	1.6
405.20410	1.6
417.20911	2.8
418.21857	1.4
419.22330	5.1
430.17709	1.0
431.18213	8.4
432.19376	2.7
433.24155	7.6
434.24796	1.4
445.19876	9.7
446.20538	4.0
447.21625	8.1
459.21451	3.9
460.22577	19.2
461.23187	15.4
473.23328	2.7
476.25891	1.8
487.24881	1.3
489.26846	1.2
491.24344	0.9
492.24957	1.5
493.26016	1.0
505.22079	9.3
518.23499	1.1
519.23926	2.8
533.25476	40.3
534.25763	3.0
565.28027	1.0
593.27521	100.0
594.27765	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	592.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11879	1.8
55.05513	24.4
57.03445	10.7
57.07075	24.4
67.05177	3.6
67.05506	40.5
69.03388	2.5
69.07056	9.1
70.18253	10.9
71.08631	18.3
79.05497	9.5
81.07059	16.7
83.04980	3.0
83.08603	14.2
85.02908	10.5
85.06576	2.7
85.10161	8.6
87.04470	5.1
91.05457	3.9
93.07040	4.3
95.08612	17.4
97.06461	2.6
97.10176	18.3
107.08579	7.7
109.10159	30.7
119.08627	2.5
125.09627	16.8
131.81213	2.2
143.10703	2.3
163.11137	3.1
163.74861	2.0
173.11769	13.8
199.13261	12.1
209.11745	2.1
227.12857	4.0
229.14357	36.0
238.25932	2.3
239.23740	2.8
301.16342	10.3
313.27350	84.9
314.27908	2.3
383.89276	2.3
403.18842	3.6
404.19800	2.4
417.20938	5.0
419.22168	2.2
431.18484	9.6
433.23788	8.0
437.36295	4.7
445.19824	15.0
446.20828	5.7
447.21768	7.2
455.37061	8.2
459.21524	3.9
460.22363	13.9
461.23679	10.6
467.37244	12.5
472.03030	2.2
473.23175	4.3
505.22195	5.9
533.25427	38.2
539.39038	3.5
592.26306	3.6
593.27594	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	592.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	3.8
55.05511	47.1
57.03438	23.5
57.07074	57.4
57.62523	3.0
59.04992	4.3
59.54362	3.1
61.38473	2.9
67.05173	5.4
67.05501	77.4
68.05828	2.9
69.07050	13.8
69.32186	14.8
69.32611	23.8
69.36308	3.0
71.04989	6.6
71.08628	39.5
73.99022	3.1
79.05495	20.4
81.07052	43.5
83.04976	4.8
83.08627	27.0
85.02895	18.5
85.10186	21.2
87.04453	8.7
91.05453	9.1
93.07015	8.1
95.05058	3.1
95.08604	27.3
97.10175	29.3
103.02823	3.9
107.08563	14.3
107.73565	3.4
109.10154	54.6
111.27699	3.2
119.08569	4.4
123.11736	4.3
125.09625	31.9
143.94852	3.5
145.10150	3.6
155.10661	3.4
173.11818	16.3
199.13297	19.0
227.12781	5.4
229.14360	48.1
239.23688	6.1
258.63425	3.0
301.16391	14.9
313.27350	100.0
381.03012	4.0
389.12671	4.0
401.66074	3.3
419.21652	3.7
431.18353	6.3
433.23785	5.6
437.36063	6.7
445.20029	10.7
446.21524	3.7
455.37216	8.7
460.22501	6.3
461.23221	4.3
467.37473	25.1
505.21701	5.1
533.25513	34.9
592.25824	4.8
593.18738	5.2
593.27606	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01871	6.5
55.05508	14.8
57.03431	3.9
57.07078	10.4
59.04993	3.0
61.02922	1.5
65.03938	2.8
67.05503	34.6
69.03432	18.0
69.07066	32.5
70.06611	3.0
71.04990	7.3
71.64785	2.1
73.02917	3.7
79.05492	20.2
81.03414	12.4
81.07056	95.7
83.04980	4.4
83.08614	10.1
85.02903	37.2
85.06541	100.0
86.09718	1.3
87.00834	13.4
87.04491	1.6
89.07175	2.0
91.03967	1.9
91.05480	11.9
93.07042	48.3
95.04973	3.1
95.08601	78.1
97.02890	13.0
97.06532	11.2
97.10175	6.7
99.04424	6.3
99.08089	16.0
103.05441	1.3
105.01859	8.8
105.06353	2.2
105.07029	23.1
107.08590	44.8
109.02872	11.3
109.06525	2.8
109.10152	51.8
110.86495	1.2
111.04478	1.4
111.08073	20.7
111.11715	6.4
113.09631	10.0
115.03954	1.1
115.07569	3.2
117.01842	2.7
117.07014	1.8
119.08575	19.1
121.10143	36.2
123.08054	1.4
123.11700	28.8
125.09621	18.1
125.13210	1.3
127.03904	16.8
131.08563	5.7
133.10124	14.3
135.04430	1.4
135.08115	1.1
135.11691	34.6
137.05925	1.8
137.09654	1.7
137.13245	12.0
139.11176	15.0
141.12852	1.3
141.22829	1.3
143.10661	6.3
143.65698	1.4
145.04982	5.2
145.10147	8.4
147.11685	12.4
149.13263	28.7
151.14796	3.8
153.12735	12.3
157.10155	1.4
157.12218	12.6
159.02908	7.6
159.11697	9.4
161.13231	11.4
163.03937	5.4
163.14819	17.0
165.12871	2.4
167.14346	3.1
171.11754	1.7
171.13719	1.9
173.11934	1.3
173.13242	5.9
175.14822	17.5
177.16371	7.7
179.14281	6.1
181.15834	1.9
183.13795	3.0
187.14851	3.3
189.16347	8.0
191.17947	10.8
193.15866	9.4
201.16443	3.7
203.17964	5.6
205.19478	2.1
207.17441	1.4
209.18958	1.5
211.16907	29.0
211.18721	1.8
215.17947	7.0
217.19450	1.3
219.17482	2.3
221.18932	3.1
229.17876	17.0
231.05022	3.3
231.21097	4.0
233.18979	4.3
237.18579	1.9
251.20143	3.1
259.24191	3.4
271.24231	7.1
277.25275	10.0
289.25247	19.2
295.26285	21.5
307.26328	32.9
313.27353	11.7
325.27359	25.1
343.28384	18.0
591.19507	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03939	2.6
54.25186	1.1
55.05506	17.2
57.03227	1.2
57.03434	13.4
57.07072	52.9
65.03923	3.1
67.05499	69.9
67.60883	1.1
69.06721	1.4
69.07067	20.0
70.00748	6.5
71.04976	2.5
71.08628	31.1
72.63947	1.3
78.70844	1.2
79.05486	39.2
81.07051	78.4
83.08618	12.8
85.06521	2.0
85.10165	15.5
89.06027	1.6
91.05469	22.0
93.07038	51.1
95.04939	3.8
95.08599	76.6
97.06519	2.7
97.10143	8.7
98.20856	1.4
99.08064	1.9
103.07565	1.4
105.07024	14.7
107.07861	1.8
107.08585	31.5
109.09451	2.0
109.10151	33.3
111.08077	1.6
111.11706	2.1
117.07013	6.7
119.08582	16.7
121.10125	23.9
123.08065	1.3
123.11690	15.8
129.06979	1.6
131.08569	14.5
133.10115	12.6
135.11703	18.8
137.09605	1.5
137.13287	6.1
145.10121	11.5
147.11658	8.5
149.13248	13.8
151.14680	1.3
159.11678	10.3
161.13246	6.2
163.14824	5.7
173.13246	9.8
175.14812	3.3
177.16371	3.3
187.14786	4.4
201.16405	1.8
233.22653	2.6
239.23590	6.0
243.21106	11.9
257.24741	2.6
261.22128	60.2
262.22491	1.4
279.23178	3.3
313.27356	100.0
314.27756	2.2
317.24698	11.9
335.25793	59.8
336.25922	1.5
499.44763	1.5
573.48737	19.4
591.49988	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	590.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95985	5.9
53.03930	19.3
53.51325	4.9
55.01880	12.4
55.05516	11.6
57.03426	12.3
58.06589	8.8
61.02908	9.3
67.05504	15.2
68.99792	5.1
69.03426	60.2
69.07051	11.7
70.06586	14.4
71.04975	11.8
71.64153	9.7
73.02913	6.6
79.05482	10.9
81.03417	49.4
81.07065	31.7
82.07387	7.3
83.04990	29.2
85.02906	90.2
85.06542	58.2
86.06879	12.6
86.09721	6.9
87.00832	45.7
89.84641	4.7
91.05499	27.2
93.07057	32.7
95.04958	35.8
95.08604	21.8
97.02894	42.8
97.06516	9.2
99.04449	22.2
103.05452	5.1
105.01886	29.6
105.07027	37.8
106.07313	9.1
107.08576	31.5
108.08907	8.2
109.02871	65.6
109.06493	6.8
109.10125	16.9
110.10452	8.3
117.01836	6.3
117.07015	12.7
119.08570	95.5
121.10143	19.1
122.10428	8.1
123.11687	5.9
125.09649	7.4
127.03904	80.3
131.04919	7.2
131.08595	45.0
133.10141	39.3
135.11679	9.9
137.09566	6.7
143.08527	16.9
145.04959	23.0
145.10112	61.1
147.07988	7.5
147.11732	8.7
149.09615	10.5
149.13217	6.6
155.08542	14.2
157.10146	28.5
159.02873	23.1
159.08098	6.1
159.11658	48.5
161.05904	6.4
161.09583	11.0
161.13171	7.9
163.07573	11.3
165.09059	12.7
168.09393	16.6
171.11668	7.1
173.09596	27.9
173.13264	55.8
175.11220	9.1
183.11697	66.5
185.13156	5.5
187.11224	9.0
191.10666	21.4
201.12747	70.5
203.10632	12.9
203.14278	7.1
205.12288	22.2
219.13849	29.1
226.20515	4.7
229.12227	72.1
231.05022	13.5
231.13814	8.2
247.13297	100.0
265.14291	13.0
285.33942	7.2
305.24631	9.9
306.24997	7.0
323.25766	5.4
324.26083	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	590.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.05499	13.0
57.03438	17.8
57.07072	43.8
67.05497	27.1
67.18386	3.6
68.05822	3.5
69.03402	3.1
69.07057	10.3
69.87274	16.6
71.08624	25.2
79.05476	19.2
81.03416	40.6
81.07056	30.0
82.07369	3.9
83.04942	3.2
83.08611	16.3
85.10174	15.8
89.06022	3.0
91.05486	23.8
92.05807	4.8
93.07033	20.6
95.04979	17.7
95.08599	31.7
96.08919	5.8
97.10180	5.7
99.08072	3.3
101.82491	2.9
105.07031	27.0
106.07372	3.8
107.04971	3.1
107.08587	11.0
108.12082	2.5
109.10156	10.3
111.08073	5.5
117.07001	6.8
119.08594	23.9
120.08920	4.6
121.10162	7.3
122.10474	3.6
123.11718	6.2
129.06985	7.7
131.08539	12.2
133.10141	13.2
134.10466	5.1
135.11667	7.9
145.10109	7.3
147.11699	17.6
150.13535	3.4
157.10191	9.5
159.11658	9.3
161.13278	12.5
162.13628	4.2
171.11664	3.7
175.11201	4.8
193.12291	12.8
232.21263	3.4
239.23676	3.7
241.19522	8.5
242.19781	11.7
259.20578	21.4
260.20886	20.6
267.15909	78.1
313.23630	5.2
313.27338	100.0
314.27722	30.2
333.24149	11.0
334.24579	16.9
415.47906	3.0
505.38898	66.3
572.47345	6.1
590.48254	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	591.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
55.01878	6.6
55.05516	20.7
57.03431	5.4
57.07069	9.8
61.02937	4.0
65.03901	3.4
67.05496	30.9
68.22739	3.3
69.03417	16.8
69.07070	46.8
71.04993	5.7
71.64411	7.2
74.07276	3.6
79.05486	22.1
81.03397	19.5
81.07055	100.0
83.04959	4.4
83.08607	14.3
85.02900	43.5
85.06535	33.6
87.00816	11.6
87.27787	3.8
91.05476	14.8
93.07030	43.6
95.04980	11.6
95.08601	89.5
95.09165	6.8
97.02888	11.6
97.06511	6.3
97.10156	8.5
99.04441	7.0
99.08095	16.6
105.01865	12.7
105.07021	28.9
107.08579	36.6
109.02883	13.8
109.10159	53.2
110.86856	3.5
111.08080	5.4
111.11711	7.7
119.08578	21.7
121.10136	41.0
123.08075	4.8
123.11694	21.1
125.09646	6.1
127.03879	21.1
131.08562	5.5
133.10103	23.7
135.11678	32.5
137.09595	4.7
137.13274	9.7
139.11179	14.9
145.05042	6.2
145.10100	7.5
147.11688	24.5
149.13232	24.0
153.12741	11.9
159.02936	9.0
159.11661	15.3
161.13219	16.9
163.14804	14.8
165.12729	8.9
169.12263	3.7
173.13225	8.7
175.14842	5.0
177.16351	25.5
187.14801	8.4
195.17491	14.9
199.56783	3.9
201.16446	3.9
203.17943	5.2
213.18497	27.8
215.17926	4.6
231.04988	6.1
239.68457	3.9
271.24121	8.4
277.25290	14.0
279.01627	3.5
279.10403	4.2
289.25256	34.8
295.26404	17.4
307.26337	36.4
315.13330	8.7
325.27423	13.1
343.28268	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	589.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61387	3.3
55.02878	3.0
55.05511	20.0
57.03429	10.0
57.06820	5.0
57.07076	44.0
61.75475	2.8
67.05505	45.8
69.07062	19.9
71.04987	3.7
71.08631	32.2
71.26111	6.4
79.05492	27.0
81.07056	57.8
83.08628	19.2
85.10170	16.1
89.06007	3.5
91.04963	3.9
91.05481	49.4
93.07047	45.9
95.08048	3.8
95.08610	55.3
97.06507	3.5
97.10162	5.9
97.61156	2.7
98.77009	3.2
99.08074	6.0
105.07034	58.2
107.08586	25.3
109.10168	21.1
113.09620	3.0
115.05492	3.1
117.07003	11.1
119.08574	54.1
121.10150	20.6
123.11651	6.9
129.07002	10.6
131.08562	20.0
133.10127	36.2
135.11661	16.0
143.08609	8.2
145.10136	16.2
146.97058	3.2
147.11688	43.2
149.13271	19.6
151.11185	4.4
157.10107	8.1
159.11693	18.5
161.13266	40.1
163.14861	4.8
171.11664	8.6
173.13217	7.1
175.14865	16.4
181.56584	3.6
185.13257	9.3
187.14896	4.2
199.14778	4.1
215.18085	4.2
217.47800	3.1
231.20996	9.4
239.23729	5.4
241.19534	39.1
259.20578	92.6
277.21478	6.1
279.78708	3.2
305.11499	3.3
307.48856	3.3
313.27374	100.0
315.23163	11.1
333.24246	56.7
517.83490	3.4
571.47083	12.9
589.48474	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	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18983	1.1
53.03930	3.5
55.01872	2.2
55.05259	1.5
55.05511	19.8
57.03431	12.6
57.07072	44.7
65.03921	2.3
67.05501	44.2
69.07063	20.6
71.04991	1.8
71.08630	35.5
71.56532	2.2
79.05486	35.2
80.47246	1.3
81.06570	2.5
81.07053	49.4
83.04974	2.5
83.08611	14.7
85.06516	3.0
85.10179	15.6
89.06019	1.6
91.05476	52.8
93.07041	44.3
95.04956	3.6
95.08602	45.8
97.06505	2.7
97.10160	8.7
99.08100	3.1
103.05447	1.2
105.07023	62.4
107.08585	24.3
109.06482	1.8
109.10153	19.1
111.08066	1.6
111.11712	1.6
113.09649	2.0
117.07012	15.4
119.08576	55.2
121.10132	19.0
123.08069	1.3
123.11683	5.7
128.06235	2.7
129.05441	1.7
129.07001	8.4
131.08554	19.3
133.10129	38.8
135.11682	16.0
137.09630	1.5
137.13220	3.6
142.07861	1.2
143.08609	8.5
145.09039	2.3
145.10109	20.3
147.11679	42.2
149.09592	2.3
149.13257	10.8
151.11148	2.1
157.10121	9.0
159.11673	19.1
161.13248	39.9
163.11137	2.4
163.14789	4.0
169.10133	1.8
171.11717	13.7
173.13280	11.8
175.11076	1.4
175.14828	15.3
185.13246	11.5
186.35403	1.4
187.14848	3.1
189.12723	1.8
189.16380	1.5
199.14825	6.2
209.50446	1.2
213.16377	2.8
215.17899	1.6
217.19458	1.7
231.17331	1.6
231.21017	11.0
239.23709	6.0
241.19479	38.6
243.21060	2.1
257.24796	1.5
259.20566	100.0
260.20828	1.7
275.20038	2.1
277.21603	4.1
313.27344	95.5
315.23157	8.0
333.24237	53.6
344.55176	1.2
349.23569	2.0
350.84009	1.3
351.25241	2.7
497.43350	2.1
516.99298	1.4
571.47137	8.8
589.48297	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	590.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01872	7.0
55.05488	1.3
57.03418	3.8
61.02906	2.7
67.05503	1.8
68.99783	2.6
69.03067	1.3
69.03424	19.2
69.07043	1.0
69.49215	7.5
71.04984	2.0
73.02927	4.9
79.05468	2.9
81.02976	1.4
81.03416	21.9
81.07037	4.0
85.02899	35.0
85.06548	1.9
87.00832	14.1
91.03942	1.0
91.05482	7.5
93.07057	5.4
95.04957	2.2
95.08595	1.1
97.02893	14.6
97.06547	1.0
98.20775	2.1
99.04449	6.5
103.65423	0.8
105.01872	9.7
105.07019	17.6
107.08577	4.1
109.02128	1.0
109.02878	17.9
109.06495	1.1
115.05399	1.7
117.01811	2.0
117.06975	4.3
119.08582	7.9
121.06535	1.6
121.10146	1.2
127.03917	29.9
128.06232	3.2
129.01823	2.2
129.06992	7.3
131.08566	15.4
133.10126	6.6
135.11668	1.0
141.06984	3.5
142.07784	11.5
142.08804	1.5
143.08563	13.1
144.09315	1.9
145.04939	8.6
145.06467	3.3
145.10112	11.0
147.08008	2.2
147.11678	6.0
149.09573	0.8
153.05376	0.9
153.06978	2.3
154.07692	1.1
155.08559	6.4
156.09283	2.9
157.10123	39.1
158.10838	2.9
159.02884	9.5
159.08078	8.1
159.11699	18.5
161.09564	1.3
163.07466	1.1
168.09334	9.3
169.10117	3.7
171.07997	1.0
171.11676	4.7
173.06018	1.7
173.09616	2.3
173.13258	16.1
175.11186	12.5
181.10150	2.9
183.11699	27.0
185.09576	1.1
185.13290	11.3
187.07532	0.9
187.11171	21.1
189.12646	1.5
191.07013	1.5
191.14153	2.1
193.10120	1.2
195.10197	1.2
199.11180	10.1
201.12737	22.0
203.14342	2.1
205.12013	0.9
207.10135	1.7
211.11186	5.7
213.03943	2.2
217.12236	20.5
219.13846	6.8
221.11610	1.1
229.12224	35.3
230.12531	1.1
231.04834	4.6
235.13300	1.6
245.11743	1.1
247.13298	100.0
248.13493	3.1
265.14380	8.5
278.09396	1.9
307.15497	4.5
309.11099	3.0
309.14545	1.1
447.16089	0.9
495.18359	2.8
588.72083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01867	9.9
55.05508	24.6
57.03424	2.4
57.07074	33.4
57.90335	1.3
59.10772	1.4
65.03921	3.7
67.05501	47.4
69.07066	38.3
69.46818	7.1
69.47243	6.7
71.04964	3.0
71.08629	23.5
76.39349	1.3
77.03914	1.7
79.05488	34.7
81.03408	7.1
81.07052	60.2
83.04988	6.7
83.08620	19.2
85.06557	2.7
85.10185	10.9
91.05472	47.0
93.07039	33.0
95.01321	10.9
95.04965	8.8
95.08601	41.4
97.06532	15.9
97.10174	9.4
99.08099	3.3
103.05489	2.0
105.07025	56.8
107.04944	18.1
107.08590	18.1
109.06516	3.3
109.10152	17.8
111.08089	3.5
113.09622	2.2
115.05487	2.5
117.06998	12.0
119.08570	34.0
121.06501	2.5
121.10139	9.5
123.08047	2.8
123.11715	3.3
125.09632	2.7
129.07022	3.0
131.08548	22.4
133.10123	30.1
133.88791	1.5
135.08057	3.2
135.11717	7.3
137.09628	3.3
137.13307	1.5
143.08580	3.5
145.06502	1.4
145.10115	19.9
147.11667	16.9
149.09581	7.0
149.13297	3.9
151.11212	4.8
155.08492	2.0
157.10146	3.3
159.11690	11.4
161.13277	6.1
163.11182	5.4
164.59735	1.4
165.09140	1.4
169.10217	3.1
171.11734	3.0
173.13298	4.2
177.12776	3.5
179.14317	19.7
183.11746	2.2
187.11086	3.4
197.13272	2.1
219.17531	6.3
229.19537	2.5
237.22200	2.2
239.17963	3.1
239.23740	2.9
257.18982	12.9
275.20053	91.0
277.21646	6.9
288.02274	1.5
293.21124	5.8
313.27429	5.5
331.22623	2.2
349.23538	2.0
587.46643	100.0
588.47589	2.2
591.64026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
54.99651	0.5
55.01868	2.6
57.02232	0.5
57.03418	1.9
61.02912	1.8
62.75847	0.5
66.67627	0.4
68.99789	1.5
69.03425	11.9
70.61197	1.2
70.61584	1.2
71.04982	2.1
73.02902	2.4
75.28373	0.5
79.05479	1.9
81.03415	12.8
81.07047	1.5
85.02901	21.6
87.00823	10.0
91.03956	0.8
91.05466	3.7
94.04198	3.4
95.05008	0.6
97.02888	7.2
97.06503	0.8
99.04442	4.5
103.03951	0.6
103.05464	2.8
105.01855	5.1
105.07027	3.3
107.04910	1.1
109.02880	11.7
109.06551	2.4
112.90332	0.5
115.03928	1.0
115.05444	3.8
117.01881	1.7
117.07000	1.5
119.08571	2.6
122.03648	7.6
127.02966	1.0
127.03914	16.3
128.06238	2.3
129.01825	1.4
129.06999	2.3
130.88551	0.5
131.04918	5.3
132.05701	2.2
133.06479	2.4
137.05974	100.0
138.06308	0.9
141.07014	1.0
143.04956	1.0
145.02852	0.6
145.04959	4.2
145.06459	1.0
146.03604	1.5
146.07222	0.7
147.02907	1.2
147.04370	0.9
147.08066	4.0
149.05968	2.0
151.03868	0.7
151.05225	0.5
151.07533	2.6
156.05598	0.8
157.06461	0.7
159.02866	5.1
159.08116	1.2
160.05205	2.2
161.05978	11.4
163.07536	9.7
167.07095	0.7
169.06497	1.5
171.08078	1.2
174.06772	1.0
175.07538	42.8
177.05490	2.5
179.07066	1.3
181.25111	0.5
184.05202	1.8
185.06020	0.6
186.06824	1.3
187.07520	7.4
189.09113	2.2
190.07768	1.0
191.08540	2.8
199.07533	14.2
201.09114	3.2
202.07806	4.2
203.08542	10.1
205.06499	0.7
205.10201	0.6
207.08008	0.7
211.07486	1.2
213.03868	0.8
215.06964	0.8
217.08546	1.4
218.07181	1.0
219.08067	5.2
220.08827	3.1
229.08519	0.6
230.07219	0.8
231.05063	1.8
231.08043	12.4
232.08763	2.8
233.09692	1.1
235.07591	1.2
235.11166	0.8
237.09079	1.2
245.09598	0.9
247.07520	4.1
248.08331	6.2
249.09137	1.7
251.10696	3.5
256.07315	1.0
259.07550	7.3
260.08270	4.0
261.09155	1.8
263.10651	7.7
265.08627	1.9
270.08575	0.6
271.09720	4.3
275.07074	0.8
275.10822	0.6
276.07776	4.3
277.08633	4.1
278.09259	0.6
279.10162	4.2
280.10745	0.9
281.07953	0.6
283.09610	0.6
291.10144	18.1
292.10931	4.9
293.08112	2.3
293.11740	1.5
295.09927	0.8
295.13300	2.2
296.10339	1.2
297.11343	0.7
307.09506	1.2
308.10419	3.6
311.12799	9.1
315.10532	0.8
321.11118	0.7
323.12762	35.5
324.13055	1.2
325.14313	5.1
333.11102	0.7
335.12808	1.1
341.13794	4.6
347.12668	0.9
365.13986	0.8
383.15027	0.7
391.66898	0.6
391.99283	0.5
589.28015	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23156	1.8
53.03948	3.9
55.01863	1.7
55.05510	15.8
56.90408	1.5
57.07074	7.8
59.04992	5.4
65.03933	3.6
67.05495	19.5
67.15355	1.4
69.03413	5.3
69.07066	19.8
70.85833	2.5
70.86193	4.5
75.36669	1.8
79.05490	23.9
81.07056	32.5
83.04974	7.7
83.08617	8.1
85.06545	5.5
86.63138	1.5
87.04457	2.3
91.05473	38.4
93.07040	54.7
93.07615	3.0
95.04967	13.1
95.08602	30.3
97.06542	5.6
97.10202	2.0
103.05458	3.7
105.07025	62.3
107.08585	50.8
109.06491	9.4
109.10150	25.3
111.08070	5.0
113.09694	1.9
115.05441	5.7
117.07014	16.2
118.32544	1.6
119.08574	84.8
121.06513	5.5
121.10136	55.6
123.08063	14.1
123.11698	6.4
125.09611	5.0
128.06238	7.9
129.07011	16.1
130.07805	5.4
131.08560	32.3
131.09515	2.8
133.06477	3.7
133.10130	43.0
135.08035	12.1
135.11687	16.4
137.09633	9.4
139.11221	2.6
141.06996	7.1
142.07762	25.6
142.08760	2.1
143.08551	36.6
144.09351	9.1
145.06500	1.9
145.10118	52.6
147.08055	9.3
147.09067	1.6
147.11697	20.1
149.09569	7.5
149.13268	4.5
151.07518	13.5
151.11217	2.5
153.06958	2.2
153.09138	1.7
154.07742	3.6
155.08537	20.8
155.10655	2.6
156.09344	19.1
157.10123	50.6
158.10884	9.4
159.08076	4.9
159.11682	30.4
161.09641	6.5
161.13277	5.9
163.11177	8.6
165.07056	7.2
165.09093	12.7
166.07787	3.4
167.06270	1.9
167.08592	9.8
167.10660	39.9
168.09338	5.2
169.10117	22.2
170.10875	9.4
171.11684	27.7
172.12390	2.0
173.09644	4.5
173.13263	19.3
175.11203	5.1
175.14818	9.6
178.07805	2.1
179.08554	10.5
180.09343	4.7
181.10159	17.8
181.12253	4.2
182.10931	8.3
183.11690	31.6
184.12491	4.8
185.09683	2.5
185.13249	19.9
187.14825	7.7
189.12726	5.0
191.08603	2.0
191.14383	7.6
192.09361	5.4
193.10141	15.3
194.10918	12.1
194.61082	1.6
195.11691	24.2
196.12511	6.9
197.13251	20.1
199.11118	3.4
199.14824	16.4
201.12811	3.6
201.16359	3.6
203.08698	2.3
203.14250	7.9
205.10123	3.8
205.15804	2.4
206.10999	5.4
207.11717	20.1
207.13809	7.4
208.12544	8.0
209.13248	26.6
209.15137	1.8
210.14015	5.2
211.14781	12.2
212.15582	2.1
213.12758	2.5
213.16455	5.2
215.14359	3.8
217.10063	4.9
217.15891	9.4
219.11702	7.7
220.12480	5.8
221.13268	15.3
221.15417	30.5
222.14058	5.4
223.14755	14.1
224.15666	3.4
225.12589	2.3
225.16389	7.2
227.14340	3.3
227.17915	2.3
229.10239	2.4
229.15836	2.5
230.10863	2.1
231.11757	6.1
232.12465	4.8
233.13242	12.1
233.15443	10.6
234.13924	3.4
235.14812	13.1
236.15565	2.7
237.12770	2.0
237.16391	9.4
239.14406	2.1
239.17899	4.2
243.11766	3.7
244.12387	2.8
245.13298	7.4
246.14070	4.9
247.14787	9.6
247.17015	2.7
248.15674	2.6
249.16301	11.7
250.17326	3.2
251.14520	1.9
251.17995	7.1
253.19565	2.8
257.13269	2.5
257.19077	3.1
258.13940	3.8
259.14841	6.0
260.15652	5.7
261.13870	2.0
261.16299	10.4
262.17102	2.2
263.17865	8.2
265.19498	8.2
267.17349	1.9
269.19070	5.1
271.15036	2.7
271.20648	2.7
273.16321	3.4
274.16995	2.0
275.17865	11.9
277.19501	3.3
279.17529	2.0
283.20535	12.1
287.17841	2.9
289.19525	4.7
291.21045	3.1
295.20502	3.8
297.22073	2.1
299.20193	3.9
301.19333	2.6
307.20676	3.1
309.16205	2.1
309.22083	2.3
311.17902	2.6
315.21066	3.7
325.90619	1.8
329.22626	3.1
331.24243	3.8
343.24167	2.5
347.23883	2.2
348.24164	2.3
349.25269	6.8
357.25723	3.4
361.25473	2.1
375.26868	4.5
377.24622	2.1
403.29916	6.6
421.12488	1.7
427.30060	2.3
491.34818	2.6
503.35568	3.1
509.34363	3.2
547.38971	5.3
565.40387	22.3
566.40619	2.0
574.60089	1.8
583.41437	100.0
584.41858	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	584.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.08724	1.4
55.05502	5.1
57.07061	1.6
65.68671	1.5
67.05502	10.0
69.07059	7.7
71.23802	3.8
72.08160	1.5
75.21808	1.3
79.05497	9.4
81.07053	17.5
83.04980	2.3
83.08595	2.4
85.06522	4.2
89.06024	2.1
91.05470	16.3
93.07040	18.1
94.07370	1.2
95.04968	3.2
95.08609	20.7
100.19879	1.4
103.05436	2.9
105.07032	35.2
107.04939	2.4
107.08594	29.4
109.06516	3.3
109.10143	7.4
111.08051	3.0
115.05488	3.4
117.07023	18.0
119.08585	19.8
121.06529	4.5
121.10166	7.6
128.06209	10.9
129.07019	11.3
130.07761	4.9
131.08569	31.6
133.06474	4.0
133.10130	16.3
135.08052	2.4
135.11656	2.8
141.06979	6.0
142.07811	7.3
143.08566	47.1
144.09341	2.1
145.06528	8.5
145.10133	39.5
146.10448	1.4
147.08051	4.2
147.11687	8.5
149.05945	1.9
151.07521	2.1
153.06995	5.4
154.07744	2.6
155.08557	12.7
157.10146	18.3
158.10703	2.1
159.04529	1.5
159.08072	9.4
159.11700	32.1
159.13013	2.4
161.05998	3.4
161.09624	3.5
163.07523	3.1
167.10651	4.3
168.09351	19.7
169.10088	6.3
170.10628	1.9
171.08072	5.3
171.11699	8.0
173.06018	6.9
173.09586	2.2
173.13278	16.7
174.06215	1.4
175.11151	3.9
175.14891	1.9
181.10129	2.4
183.11696	54.2
184.11984	1.8
185.09593	2.3
185.13292	5.1
186.13794	1.9
187.07545	8.3
187.11194	13.3
189.09125	10.2
193.10101	4.8
195.11595	1.7
197.13257	1.5
199.14810	2.7
201.12752	33.4
201.16382	63.4
205.12225	3.5
210.13664	1.6
211.11159	10.5
213.16312	1.9
219.13750	9.5
220.48250	1.4
221.15344	2.9
229.12241	100.0
236.15273	1.7
247.13295	56.8
256.26236	1.8
261.18500	9.1
265.14322	10.3
289.14301	5.7
307.15442	2.1
311.29358	2.0
323.68698	1.4
324.18011	2.7
338.98746	1.5
431.28168	1.5
542.32086	1.5
584.41193	7.3
584.56055	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01875	1.9
55.05512	17.2
57.07074	11.3
59.04998	3.8
65.03941	3.5
67.05503	25.2
69.03445	8.6
69.07063	18.6
71.12531	3.3
79.05490	26.2
81.07056	36.6
83.04980	11.3
83.08637	9.3
85.06549	7.9
91.05477	52.6
93.07045	62.4
95.04958	13.7
95.08604	40.4
97.06532	6.3
97.10179	2.6
103.05449	3.0
105.07024	74.7
107.08595	51.5
109.06525	10.9
109.10159	25.3
111.08100	3.0
115.05482	5.1
117.07026	18.5
119.08578	94.0
121.06506	6.7
121.10140	58.6
123.08065	18.9
123.11696	5.5
125.06045	1.7
125.09665	2.4
128.06212	13.6
129.07011	16.4
130.07787	10.4
131.08565	39.4
133.06503	3.4
133.10123	40.8
133.11055	3.1
135.08063	7.5
135.11682	17.9
137.09621	13.1
139.11156	4.2
141.06953	9.9
142.07773	23.4
143.08557	42.6
144.09332	9.2
145.10120	59.3
145.11266	3.6
147.08051	19.8
147.11696	17.3
149.09628	7.7
149.13303	3.4
151.07535	18.7
151.11203	2.4
153.06999	4.0
154.07820	4.1
155.08537	18.8
156.09355	20.4
157.10123	59.8
158.10909	11.3
159.08073	5.4
159.11688	34.6
161.09624	6.6
161.13203	8.2
163.11195	9.4
163.14738	1.6
165.07040	9.1
165.09109	35.9
166.07826	4.7
167.08578	10.8
167.10667	14.6
168.09341	11.3
169.10123	28.3
170.10928	11.9
171.11674	34.6
172.12445	3.1
173.09677	4.8
173.13293	26.8
175.11226	5.2
175.14787	11.5
177.09073	2.9
177.12727	2.3
178.07831	1.7
179.08540	14.0
180.09291	10.2
181.10118	18.2
181.12218	7.0
182.10889	8.4
183.11697	32.3
183.13211	2.9
184.12424	5.5
185.13281	20.5
187.11172	4.9
187.14819	11.1
189.12758	7.3
191.08554	2.2
191.14273	8.7
192.09398	7.2
193.10127	17.9
194.10905	13.5
195.11702	30.9
195.13406	3.2
196.12471	5.9
197.13264	29.6
198.13979	2.3
199.11295	3.0
199.14798	20.0
201.12740	4.0
201.16350	3.2
203.14349	20.5
205.10133	4.0
206.09322	1.7
206.10866	10.0
207.11742	20.6
207.13863	9.3
208.12416	9.8
209.13268	29.3
210.14000	4.8
211.11197	2.6
211.14848	16.2
213.12892	4.2
213.16557	3.9
215.14378	3.2
216.09633	1.9
217.10196	3.8
217.15909	15.4
218.10916	4.6
219.11694	8.4
220.12454	9.0
221.13257	18.9
221.15419	74.9
222.14096	4.6
223.14815	14.6
224.15587	3.6
225.12810	2.4
225.16486	5.6
227.14354	2.4
229.09879	2.3
230.10852	2.0
231.11743	6.3
231.17447	3.6
232.12471	6.7
233.13271	15.1
233.15466	5.7
234.14064	4.5
235.14851	14.5
236.15657	2.0
237.12753	2.2
237.16391	8.3
239.18024	6.3
241.15918	2.8
243.11768	4.1
244.12582	3.5
245.13214	8.3
246.14081	5.4
247.14819	11.5
247.17108	2.7
248.15602	4.3
249.16472	10.8
250.17224	4.5
251.18022	5.1
253.19611	2.1
255.17400	2.6
257.13330	2.4
257.19064	9.7
258.14114	2.1
259.14871	5.5
260.15692	5.9
261.16376	11.3
263.18018	7.4
265.19479	10.2
267.17764	1.8
269.19019	5.5
270.14267	1.8
271.14734	4.2
271.20642	5.5
272.15607	2.5
273.16412	5.3
274.16977	2.5
275.17953	16.2
276.18442	2.4
277.19501	3.2
279.17578	1.7
281.19064	3.3
283.14984	1.7
283.20560	16.6
285.16302	3.2
286.19580	1.9
287.20184	5.9
289.19580	5.9
290.20264	2.8
291.20996	3.0
293.19009	1.8
295.20712	4.2
297.16245	2.4
297.22180	3.5
297.80481	1.6
299.20386	2.9
300.20859	3.1
301.19135	2.2
301.22128	1.8
303.21017	2.5
309.22171	3.5
315.21310	2.8
317.22571	3.4
321.22040	2.0
331.24307	7.2
345.22092	1.9
347.23920	3.1
349.25381	8.7
361.25314	3.1
365.24792	4.6
375.26840	8.8
403.29944	9.1
408.70605	1.7
491.35165	7.1
503.35333	5.2
547.39484	3.1
565.40259	19.2
583.41492	100.0
584.42120	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01865	2.0
55.05512	16.8
57.03438	2.3
57.07059	12.6
59.04986	5.8
65.03933	5.4
67.05502	26.9
69.03439	7.9
69.07064	21.6
70.19923	2.6
70.20325	7.3
71.04985	1.8
79.05484	23.5
81.03388	2.2
81.07051	39.4
83.05003	7.4
83.08629	9.8
85.06535	7.2
90.17189	1.4
91.05473	55.3
93.06448	3.7
93.07037	65.1
95.04966	14.1
95.08593	40.4
97.06521	4.6
99.66151	1.8
103.05447	4.2
105.04488	3.3
105.07021	87.4
107.07860	2.7
107.08582	49.7
109.06522	10.8
109.10143	25.4
111.08073	3.8
115.05456	6.6
116.06234	2.7
117.07024	18.5
119.04947	2.3
119.08573	90.1
121.06506	4.7
121.10135	56.1
121.11008	2.7
123.08056	18.3
123.11713	7.0
125.06005	3.6
125.09587	2.6
128.06219	15.9
129.07007	20.9
130.07782	7.6
131.08551	40.6
131.09491	2.4
133.06488	2.6
133.10117	38.7
135.08054	13.9
135.11687	15.0
136.16548	1.6
137.09581	13.2
139.07542	1.5
139.11148	3.2
141.06961	9.6
142.07768	28.2
143.08553	46.1
144.09340	6.9
145.10117	62.8
147.08029	22.9
147.11674	19.9
148.08669	2.3
149.09634	6.7
149.13269	4.6
151.07524	15.6
151.11235	2.0
153.06996	7.2
154.07753	4.0
155.08548	22.2
156.09332	20.5
157.10118	61.9
158.10893	12.3
159.08072	6.6
159.11679	30.9
161.09637	5.7
161.13243	8.8
163.11195	10.1
165.07008	10.1
165.09097	34.5
166.07712	3.6
167.08563	15.2
167.10663	14.4
168.09274	10.1
169.10120	28.5
170.10944	9.6
171.11670	38.0
171.13109	2.5
172.12384	3.4
173.09669	4.7
173.13261	30.8
175.11275	2.4
175.14781	11.5
177.12679	1.5
178.07727	3.2
179.08525	15.9
180.09293	5.5
181.10129	22.2
181.12177	4.7
182.10898	9.5
183.11696	33.0
184.12477	7.7
185.09680	2.5
185.13228	25.7
187.11243	4.8
187.14833	9.9
189.12762	5.9
189.16367	2.6
191.08624	2.7
191.14305	8.8
192.09302	8.1
193.10153	19.5
194.10880	12.1
195.11688	25.6
195.13419	3.1
196.12465	7.5
197.09663	1.9
197.13251	26.2
198.14014	3.7
199.11198	1.9
199.14818	20.0
201.16309	3.2
203.14290	18.6
204.09468	2.8
205.10123	4.0
206.10913	11.5
207.11716	18.4
207.13802	8.4
208.12416	9.9
209.13254	33.8
209.15154	1.9
210.14023	5.0
211.14806	15.9
212.15572	2.1
213.16434	5.1
215.14369	3.1
217.10139	4.6
217.15883	13.0
218.10893	4.3
218.68135	1.7
219.11681	9.8
219.17549	1.7
220.12466	8.4
221.13255	18.2
221.15398	66.4
222.13933	4.0
223.14767	19.9
224.15573	3.0
225.12796	3.0
225.16415	6.9
227.14378	3.9
227.17902	1.8
230.10919	3.8
231.11745	6.5
232.12401	5.4
233.13252	12.7
233.15376	5.6
234.14018	4.5
235.14769	15.5
236.15657	3.4
237.16318	8.4
239.14296	2.1
239.17955	5.7
243.11688	3.7
243.17484	2.0
244.12778	3.7
245.13206	10.8
246.14088	4.9
247.14781	10.7
248.15631	4.5
249.16367	8.9
251.14307	2.8
251.17966	6.6
253.19638	2.3
255.17653	2.5
257.13254	4.6
257.19019	5.2
258.13971	2.6
259.14810	8.0
260.15659	5.9
261.16266	10.0
262.17142	3.4
263.18027	7.2
265.19595	6.9
267.17517	1.9
269.18988	5.1
271.14841	3.3
272.15494	2.1
273.16226	7.5
274.17133	2.5
275.17877	14.1
276.18652	2.5
277.16153	2.7
277.19571	4.6
279.20923	3.1
281.19156	2.4
283.20578	19.6
285.16156	3.1
287.17490	2.7
287.20300	3.7
289.19543	6.2
291.17194	2.0
291.20972	1.9
293.19049	2.9
295.20535	5.5
297.22162	4.3
300.20901	3.7
301.19186	2.3
303.21036	2.9
305.19107	2.1
307.20444	2.9
309.21899	2.9
315.21103	2.8
317.22687	3.0
331.24271	6.8
333.22110	2.0
347.23792	2.7
349.25381	10.5
357.25934	2.5
359.23886	1.8
361.25348	4.8
365.24774	4.1
375.26978	7.5
387.43045	1.5
403.29828	9.6
413.28177	2.1
491.35428	8.0
503.35199	5.1
509.34030	3.4
539.29059	1.6
547.39178	3.1
565.40424	26.7
583.41418	100.0
584.41504	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88499	1.0
53.03947	2.1
55.01846	1.1
55.05508	6.9
55.33875	1.1
57.07079	7.0
59.04997	2.4
67.05502	15.7
69.03430	4.4
69.07063	8.4
70.22631	5.9
70.41019	1.2
79.05486	11.9
81.07055	18.7
83.04976	1.9
83.08612	4.4
85.06546	3.6
89.10325	1.1
91.03474	1.3
91.05475	18.0
92.28840	1.2
93.07043	33.6
93.07618	2.2
94.20710	1.0
95.04941	5.8
95.08602	26.3
97.06517	3.5
97.10149	1.5
98.21391	1.7
103.05458	2.2
105.07026	34.8
107.08595	17.3
108.05799	1.6
109.06524	4.5
109.10157	11.8
111.08077	1.4
115.05494	1.6
117.07013	7.5
119.04783	1.3
119.08576	32.4
121.06516	4.9
121.10142	24.8
123.08070	17.8
123.11722	2.0
125.05988	1.7
125.09631	1.5
128.06236	5.1
129.06995	8.0
130.07800	2.1
131.08578	12.3
133.06572	1.9
133.10124	19.5
135.08049	8.2
135.11710	5.3
137.09599	8.8
139.11211	1.4
141.07030	4.0
142.07753	10.8
143.08553	16.0
144.09360	4.4
145.10117	22.3
147.08041	18.4
147.11691	7.9
149.09660	3.6
151.07538	17.1
153.06993	2.3
155.08516	7.2
156.09341	7.9
157.10106	27.8
158.10933	3.2
159.08066	3.0
159.11656	14.3
161.09634	4.7
161.13258	4.4
163.11206	4.2
165.07060	2.6
165.07654	2.0
165.09105	34.0
165.10478	1.9
166.07791	1.5
167.08604	3.8
167.10643	2.3
168.09373	3.1
169.10139	11.7
170.10938	4.6
171.11690	13.2
172.12402	1.5
173.09662	2.3
173.13277	11.3
175.11163	1.6
175.14833	5.4
177.09145	1.8
179.08557	6.0
180.09357	2.8
181.10072	6.8
181.12280	2.4
182.10915	4.1
183.11679	14.4
184.12453	2.3
185.13255	13.2
187.11240	1.6
187.14886	3.4
189.12698	7.1
192.09288	2.4
193.10173	5.8
194.10912	4.5
195.11694	11.1
196.12453	3.5
197.13258	11.7
199.11229	2.7
199.14841	5.0
201.12766	1.2
201.16496	1.4
203.14336	14.3
206.10918	2.4
207.11711	7.8
207.13843	7.0
208.12529	2.7
209.13251	10.8
210.14023	1.7
211.11180	1.6
211.14746	6.8
213.16396	1.9
215.14395	2.3
217.15927	1.8
218.10942	1.6
219.11656	2.5
219.17532	2.1
220.12521	2.2
221.13243	8.8
221.15308	58.1
222.13948	1.3
223.11305	1.3
223.14816	7.4
225.16449	3.8
231.11646	2.3
231.13832	1.4
231.17590	2.8
233.13254	3.9
234.13908	2.1
235.14871	6.2
236.15590	1.9
237.16409	4.4
239.14331	1.3
239.17995	3.3
245.13171	2.6
246.14111	2.0
247.14799	3.5
247.17001	2.1
249.16444	4.9
251.18056	1.8
253.16022	1.3
253.19482	1.6
255.17384	1.2
257.19095	1.8
259.14911	1.8
260.15680	1.7
261.16351	3.2
263.17896	2.8
265.16522	1.1
265.19547	3.9
269.18936	2.6
271.20490	2.4
275.17911	2.5
277.19656	3.2
279.21088	2.2
281.19086	1.6
283.20660	4.9
286.19574	2.0
287.20258	2.0
293.19119	1.4
295.20670	4.1
297.22226	4.1
301.19342	1.5
309.22388	1.6
329.22729	1.7
331.24185	2.3
333.22272	2.2
347.23721	2.7
349.25439	2.6
352.23932	2.0
357.25821	3.2
365.24875	2.6
375.26660	7.2
385.29355	1.4
403.29843	11.2
463.32257	1.2
485.33447	1.2
491.34894	1.9
503.35275	5.7
509.34442	1.9
547.39355	3.1
565.40381	30.3
583.41467	100.0
584.41705	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01852	1.1
62.69207	0.3
65.03910	0.4
66.21185	0.3
67.05492	0.4
70.06563	0.6
71.24529	0.8
79.05487	4.9
81.07027	0.5
91.05479	4.7
91.65125	0.3
93.07035	0.5
95.04958	1.4
97.06496	0.6
103.05473	3.8
104.06227	0.6
105.07021	22.9
107.04938	1.8
107.08599	0.6
108.05729	0.8
109.06480	1.4
111.04420	0.5
115.05426	1.4
116.01652	0.5
117.07034	0.6
118.04149	5.3
119.04963	2.8
120.05715	1.1
121.06480	2.0
122.03669	0.8
122.07267	1.6
123.04407	0.5
123.08038	1.5
124.05195	1.0
125.05959	0.5
131.04904	1.4
132.05724	0.9
133.06482	21.5
134.07245	1.1
135.04396	2.0
135.08043	3.6
137.04239	0.7
137.05959	7.6
146.03615	0.6
146.06049	0.4
147.02612	0.5
147.04379	1.0
148.05176	1.3
149.05980	2.2
150.01329	1.5
150.06747	11.8
151.07562	3.0
161.05966	2.7
163.03952	0.4
163.07491	0.5
165.03746	2.1
165.09097	15.6
167.07047	6.1
168.07401	0.3
177.03278	0.5
177.05460	0.9
178.06218	1.5
179.07022	1.3
193.03189	2.6
193.08594	100.0
194.09250	2.1
209.08299	0.5
209.10410	0.6
210.11223	1.1
211.09641	51.9
212.09973	0.8
225.05710	1.2
227.07367	0.5
307.45319	0.3
371.12704	4.4
483.28705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55307	1.8
53.03948	5.1
55.01869	2.5
55.05513	15.5
57.07075	10.1
59.04996	6.4
65.03933	4.3
67.05506	28.1
69.03420	7.1
69.07066	26.3
70.34538	4.8
71.05007	2.9
71.51456	1.7
79.05059	3.0
79.05492	30.1
80.40051	1.6
81.03437	3.2
81.07056	42.3
83.04971	12.1
83.08624	10.9
85.06546	8.1
91.04906	2.3
91.05479	57.7
93.07039	74.0
95.04967	17.0
95.08600	41.9
97.06512	9.9
97.10196	2.9
98.21396	2.7
103.05468	4.2
105.07028	84.6
107.08588	57.4
109.06497	11.6
109.10150	28.1
111.08126	4.5
111.11693	2.8
113.09613	2.1
115.05462	5.9
117.07014	22.0
119.04856	1.8
119.08578	100.0
121.06487	5.6
121.10136	68.0
121.11015	2.0
122.10541	1.9
123.08067	16.9
123.10950	1.7
123.11641	9.4
125.06036	2.4
125.09605	4.9
125.52492	1.8
128.06207	14.6
129.07007	23.0
130.07784	10.6
131.08560	42.2
132.09383	2.1
133.06497	3.3
133.07632	2.4
133.10135	59.1
135.08076	9.7
135.11687	20.6
137.09616	9.3
139.11159	5.4
141.06999	10.7
142.07800	24.3
143.08560	51.6
144.09319	6.8
145.06482	3.2
145.10115	66.2
147.08054	11.4
147.11687	24.5
149.09612	14.1
149.13216	4.6
151.07521	9.3
151.11163	2.7
153.06989	5.3
154.07788	6.2
155.08528	17.6
155.10616	3.8
156.09363	17.7
157.10135	63.6
158.10916	10.7
159.08095	9.0
159.11687	34.3
161.09625	5.9
161.13258	10.1
163.11188	9.7
163.14827	2.5
165.06998	9.8
165.09151	12.9
166.07780	4.1
167.08591	12.6
167.10674	47.2
168.09358	6.3
169.10129	33.6
170.10966	10.5
171.11687	35.9
172.12386	2.5
173.09616	7.3
173.13254	28.2
175.11226	5.0
175.14795	16.5
177.09123	2.6
177.12837	3.2
179.08514	16.2
180.09383	6.6
181.10124	20.2
181.12241	5.0
182.10881	10.1
183.11700	28.5
184.12465	6.6
185.09653	2.7
185.13248	16.5
187.11156	4.0
187.14857	12.2
189.12767	8.7
189.16399	2.7
191.08662	2.2
191.10493	2.5
191.14334	7.4
192.09372	6.4
193.10123	15.3
194.10965	13.6
195.11696	28.2
196.12477	8.1
197.13235	30.5
198.14008	2.6
199.11234	3.8
199.14812	20.8
201.12831	3.8
201.16408	6.6
203.08340	2.4
203.14287	10.8
205.10190	5.1
205.16032	2.1
206.10976	7.5
207.11729	22.7
207.13763	5.0
208.12518	7.9
209.13307	27.2
209.15192	2.4
210.13968	6.0
211.11227	4.5
211.14816	13.6
213.12721	3.0
213.16414	3.9
215.14368	6.7
217.15941	14.5
218.10873	3.6
219.11807	7.9
219.17397	2.5
220.12497	8.5
221.13275	16.0
221.15428	29.6
222.14000	3.3
223.14818	16.8
224.15666	2.4
225.12825	2.2
225.16432	8.0
227.14404	3.1
229.10150	2.2
229.85762	2.3
231.11626	8.8
232.12561	4.1
233.13275	9.2
233.15433	14.6
234.14027	5.0
235.14836	13.8
236.15526	2.7
237.12741	3.0
237.16393	9.4
239.17952	4.9
243.11618	4.6
244.12448	4.1
245.13315	7.4
246.14029	3.4
247.11031	2.2
247.14851	10.1
247.17088	3.1
248.15582	2.8
249.16400	7.9
251.18022	7.2
253.15895	2.7
255.17552	2.0
255.20996	2.1
257.13293	2.6
257.19171	5.5
258.14130	4.3
259.14810	7.9
260.15701	4.9
261.16403	8.8
263.17932	6.4
265.19528	7.0
269.13123	2.3
269.18979	3.9
271.14841	3.4
271.20468	3.5
272.15479	2.1
273.16321	6.9
275.17868	11.6
277.16595	1.9
277.19577	6.2
279.17569	2.2
279.21115	2.2
281.19147	3.1
283.20618	13.7
285.18646	5.6
287.17804	4.3
289.19525	4.6
291.20853	2.9
293.18939	3.4
295.20398	3.7
297.22171	2.0
299.20059	6.0
301.19492	4.7
303.21091	3.1
315.20963	3.4
331.24280	4.5
333.22043	2.6
335.23730	2.8
343.24115	3.8
347.23792	2.7
349.25391	7.4
357.25806	2.9
359.23526	2.3
361.25327	3.0
365.24838	3.0
375.27032	4.1
377.24707	2.0
399.09790	2.0
401.28558	2.0
403.30331	3.4
491.35278	8.2
504.35226	2.0
509.34637	2.5
565.40387	18.8
583.41418	85.9
584.41620	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.8
57.07076	14.3
61.94608	8.6
67.05511	21.2
69.07059	19.2
69.38010	100.0
75.75548	8.9
79.05483	18.8
81.07066	44.9
83.04971	12.3
83.08627	8.8
91.05478	41.9
93.07048	48.4
95.08588	34.9
97.06533	15.5
105.07012	58.5
107.08588	45.2
109.06534	13.4
109.10154	24.2
117.06992	17.0
119.08565	91.3
121.10123	30.0
123.08032	17.9
128.06245	12.8
129.07069	9.6
131.08543	28.1
133.10127	43.1
135.11632	17.1
142.07767	18.4
143.08525	31.1
145.10127	45.3
147.11642	12.8
151.26593	9.5
156.09312	16.2
157.10109	33.2
159.11687	25.2
161.13191	12.1
165.09090	24.9
169.10184	24.6
171.11723	23.6
173.13181	8.9
175.11060	9.9
175.14886	16.7
176.02489	9.3
176.13266	9.3
183.11658	21.4
195.11742	11.5
199.15015	9.9
203.14337	12.3
207.11809	9.0
209.13235	17.9
221.15356	31.7
223.14903	13.0
235.72551	10.4
253.04005	10.0
491.35159	36.6
583.41162	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
55.01878	2.7
55.05514	1.2
55.14636	0.7
57.03448	1.0
61.66878	0.6
65.03950	2.8
67.05506	7.5
69.03428	1.7
69.07072	1.2
70.06599	0.9
71.01350	0.9
71.05036	0.8
77.03531	0.8
77.03943	0.8
79.05477	4.3
81.03418	5.3
81.07059	2.7
83.04984	1.6
83.08642	1.2
85.02905	3.7
91.05458	5.0
93.07050	1.8
94.04182	1.5
95.04977	5.6
95.08627	1.3
97.02906	0.7
97.06534	5.5
98.06838	0.9
103.05462	18.5
105.03412	1.3
105.07037	3.6
107.04954	6.0
108.02095	2.4
109.02901	1.4
109.06512	1.3
109.10175	2.6
111.04454	1.7
115.05433	4.4
117.07006	3.5
118.04133	3.9
119.04966	1.6
119.08558	1.2
121.06521	2.2
122.03638	4.3
123.04426	2.7
124.05194	1.3
125.05984	2.3
127.03808	0.7
128.06281	0.9
129.06978	2.0
130.04146	1.2
131.04922	28.3
131.08624	0.8
132.05664	0.9
133.02849	2.7
133.06471	5.2
134.03618	0.7
135.04428	1.5
135.08044	1.5
136.01498	0.7
137.05971	62.7
141.05473	3.6
143.04915	2.6
144.05734	1.1
145.06453	4.5
146.03693	0.7
147.04433	1.1
147.08020	1.5
148.05180	9.2
149.04903	0.6
149.05956	3.7
150.06744	0.7
151.03902	100.0
151.04982	6.5
152.04366	1.0
153.05460	2.9
157.06448	1.0
157.10135	1.0
159.04448	1.0
159.08011	1.1
160.05209	1.5
161.06021	4.1
163.03893	2.8
163.07535	19.4
165.05573	3.4
165.06712	0.8
165.08975	0.9
167.07028	16.6
171.04399	0.9
171.06531	1.0
173.05945	3.2
174.06799	1.0
175.07544	6.9
176.04672	2.1
177.05458	3.8
177.09067	1.9
178.06229	2.5
179.07028	1.0
181.04958	19.1
181.06508	1.4
185.05971	0.8
187.07512	2.4
189.05467	1.6
189.09076	2.3
190.06227	1.2
191.07019	89.8
191.29118	0.7
192.07553	2.0
193.08568	2.8
193.12332	0.9
195.06557	3.3
196.07240	1.0
201.05519	0.8
201.09117	1.0
203.07014	3.3
205.04770	0.8
205.06790	0.9
205.08542	3.7
207.06454	1.0
207.10164	1.5
209.08023	5.0
211.13315	1.2
215.06967	1.0
217.08543	1.8
219.10124	2.4
220.78485	0.7
221.08038	1.3
223.07570	0.8
223.09567	1.6
231.06453	0.8
233.08069	4.8
235.07497	1.7
235.09612	4.7
237.09109	1.8
239.06999	1.2
241.08615	0.8
245.08127	1.3
249.09074	1.8
250.06242	0.7
259.09598	1.5
262.06329	0.8
263.09161	9.5
265.08548	1.6
267.10199	1.0
277.08545	2.5
293.08035	1.0
294.08945	0.9
295.09610	1.5
297.11063	1.2
305.07849	0.9
309.11093	1.2
314.11249	0.8
319.09616	0.8
325.10565	1.7
327.12106	3.0
329.13727	1.9
337.10709	1.3
339.12198	1.0
351.12122	1.3
355.11716	8.8
356.15701	1.0
357.13177	2.5
369.13168	2.7
378.66751	0.7
387.14325	17.4
458.66745	0.7
459.15668	0.9
502.78601	0.8
548.21509	0.7
583.21765	1.1
583.30334	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01857	2.1
55.05503	1.5
58.68781	1.1
60.25069	1.0
64.57471	1.1
65.03938	2.7
66.04710	1.1
67.05516	6.0
69.03424	3.0
70.06593	1.6
70.34531	5.7
78.04714	2.5
79.05498	8.9
81.03411	9.4
81.07046	2.4
83.04981	3.0
91.05466	8.6
93.03396	1.2
94.04179	2.6
95.04943	5.3
97.02915	1.5
97.06518	10.2
98.06802	1.9
103.05463	4.1
105.07018	9.3
107.04953	11.2
107.07701	1.2
109.06526	2.0
109.10129	2.5
111.04409	1.5
115.05454	14.7
117.06993	9.0
119.04911	2.5
119.08569	3.2
121.06512	2.8
122.03665	10.7
123.04433	7.3
124.05193	3.6
125.05947	1.5
127.03948	1.9
128.06206	1.4
129.07010	3.4
131.04913	4.0
131.08578	1.6
132.05673	1.3
133.02803	1.9
133.06503	6.8
137.05966	100.0
141.07022	1.5
143.04909	2.0
144.05652	3.7
145.06474	15.7
147.08037	3.5
149.05954	3.7
151.03888	15.1
151.04971	2.3
151.07552	3.6
152.04672	3.4
153.05472	3.3
155.05983	1.8
156.05659	3.1
157.06476	2.3
159.04401	1.8
159.08037	3.1
160.05145	1.6
161.05972	13.4
163.07558	1.4
165.05479	1.7
167.07039	83.7
168.07246	1.2
173.05978	14.7
175.07509	7.3
177.05490	3.3
179.07095	5.7
179.08395	1.3
181.04985	13.2
181.06415	2.0
181.08551	2.5
187.07507	5.0
189.05525	1.8
189.09081	1.4
190.06247	3.7
191.07036	6.5
192.07671	1.8
193.08536	6.6
195.06505	3.7
195.08109	1.6
197.05936	3.4
198.06784	2.5
201.05434	1.7
203.07066	3.5
205.08621	17.9
207.06488	10.5
207.08112	1.2
207.10182	3.0
209.06053	1.7
209.08028	1.9
211.07687	2.6
213.05453	1.3
214.06152	1.8
217.08597	8.7
219.08243	1.9
219.10184	4.1
221.06062	1.3
221.08072	3.1
223.07552	1.9
225.05464	1.8
226.06139	2.4
229.14291	1.2
233.07968	6.8
234.06732	1.9
235.07507	3.6
235.09630	17.6
237.11179	1.5
239.07014	1.6
241.08507	8.2
243.06520	2.4
245.07991	1.7
247.07474	2.9
247.09691	2.9
251.06941	1.4
252.07837	1.6
254.05576	1.4
255.06442	1.7
257.08054	3.7
259.09711	2.0
261.09152	2.0
263.07004	3.2
263.10580	1.3
264.07977	1.6
267.10141	2.3
268.07321	2.4
269.08096	5.1
271.05887	2.7
273.09067	1.7
274.06244	1.2
276.07901	2.6
277.08588	2.8
278.09415	1.5
279.10156	1.4
283.09616	2.8
288.13235	1.9
289.10864	2.7
290.09344	1.9
291.10019	2.8
292.07272	1.6
293.08197	1.6
293.11804	2.0
295.06244	1.4
295.09613	3.1
296.06763	1.2
297.07449	2.0
301.10693	5.6
305.08176	1.9
307.09720	4.4
309.07446	2.3
313.10608	2.3
314.07849	3.4
315.08817	1.6
315.12225	2.3
321.07712	1.9
321.11243	2.6
323.09219	2.9
325.10739	1.5
327.12088	2.3
329.10251	15.4
330.10925	1.3
331.12000	2.6
332.10202	1.5
333.11127	1.5
335.08896	2.4
337.10559	3.8
339.12177	3.6
349.10699	1.6
351.12286	3.9
353.09760	2.0
353.13852	2.9
355.11697	4.4
356.15622	4.4
357.13464	1.6
363.12201	2.8
367.11688	4.0
369.13086	3.9
373.12769	2.1
379.11618	1.7
381.13406	8.2
383.14618	3.6
385.12698	2.5
387.14191	3.8
393.13260	3.2
395.14905	1.8
397.12759	2.5
399.14304	5.3
411.14407	5.5
423.14304	2.2
427.14130	1.4
429.15384	2.8
441.15372	4.0
459.16434	23.9
535.19342	2.0
547.19916	5.9
553.20612	9.4
565.20782	19.0
566.21631	2.6
583.21552	23.9
583.30011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	53.9
57.03421	1.8
69.03409	4.1
70.06239	4.0
70.06652	6.0
70.98112	17.3
73.82082	1.7
74.97605	2.2
82.78922	1.8
84.96027	6.8
85.02875	3.0
88.99161	12.7
98.97583	39.7
110.97534	11.3
116.98611	22.7
128.98604	20.2
131.00143	1.9
134.99638	7.7
139.00652	4.8
140.98579	3.3
143.00134	9.0
146.99643	13.2
157.01717	7.0
158.99666	13.8
161.01212	15.0
170.99689	15.4
171.03297	4.8
173.01271	7.0
175.02797	3.8
177.00735	15.5
182.99632	12.5
185.01199	3.4
185.02936	1.8
189.00699	18.8
189.02272	2.1
189.02821	2.2
189.04327	16.7
191.02417	2.7
197.01237	3.8
201.00693	58.8
204.16864	1.7
207.05241	3.0
215.02272	41.9
219.01778	43.4
229.03743	2.2
231.01746	3.8
233.03319	100.0
237.02844	17.6
238.03847	5.2
243.01761	12.1
247.04816	2.9
251.04488	9.5
256.04938	6.5
257.03323	37.7
259.01166	2.6
261.02847	41.8
275.04352	26.7
277.02261	3.6
279.03903	22.2
281.03088	2.3
287.04495	14.3
290.30261	2.1
291.03857	6.8
298.05914	5.3
301.02396	4.1
302.05453	2.2
305.05380	3.3
317.05380	7.4
321.04959	18.8
327.03708	2.2
329.05496	2.2
333.04965	2.5
333.08667	2.7
341.05499	2.4
345.04773	3.8
351.05811	7.5
353.09195	4.1
359.06519	27.1
377.07608	15.6
381.07123	3.6
399.07990	5.2
403.05447	5.2
421.06335	6.6
507.10110	5.8
539.12781	24.1
583.11884	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	583.2175
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03933	1.8
55.01862	3.4
55.05499	1.4
56.53072	1.2
62.76777	1.3
65.03937	2.1
67.05489	5.2
68.73190	1.2
69.03418	3.2
69.64291	9.5
70.06577	1.7
73.02875	1.2
74.64109	1.1
78.04711	2.6
79.05496	9.3
81.03421	14.0
81.07034	3.2
82.07717	1.1
85.02884	2.6
90.15720	1.1
91.05475	7.4
93.07034	2.0
94.04166	5.9
94.90040	1.2
95.04950	4.0
97.06541	5.3
98.20670	1.4
103.05452	5.0
105.03365	1.5
105.07008	9.5
107.04955	12.6
109.02868	1.5
109.10196	1.4
111.04465	1.4
111.07996	1.1
114.70245	1.3
115.05457	13.2
117.07004	9.4
119.04891	3.0
119.08598	2.4
121.06524	2.6
122.03648	8.8
123.04427	6.4
123.65390	1.3
124.05221	3.3
125.06038	2.0
126.65359	1.1
127.03870	1.5
128.06247	2.3
129.07014	3.2
131.04941	6.1
131.08560	1.5
132.05679	1.8
133.02838	2.4
133.06525	9.2
133.79358	1.1
135.04440	1.4
136.06172	2.4
137.05972	96.3
140.89850	1.3
141.07043	1.4
143.04826	3.3
144.05702	2.6
145.06482	14.9
147.04416	1.5
147.06378	1.1
147.08044	4.6
149.05981	4.4
151.03918	19.6
151.07542	3.8
152.04671	2.7
153.05463	5.1
153.07024	1.1
155.06026	1.9
156.05640	2.0
157.10220	1.2
159.04411	1.5
159.08044	4.5
160.05151	1.8
161.05977	14.6
163.03918	1.4
163.07516	2.2
164.59969	1.3
165.07013	2.1
167.03362	3.4
167.07036	100.0
169.06537	1.5
173.05971	13.7
174.06612	1.9
175.07542	5.9
176.04735	1.4
177.05464	4.6
179.07033	5.9
180.05563	1.4
181.04959	13.3
181.06419	2.1
181.08569	8.8
183.08037	2.5
187.07555	4.6
189.05510	1.6
190.06255	4.4
191.07030	5.2
193.08572	10.9
195.06520	2.9
197.05934	1.9
199.07529	2.0
201.05522	1.2
203.06960	3.3
205.08606	11.9
207.06467	8.7
207.08284	1.5
207.10214	3.6
208.05176	1.5
211.07520	2.5
211.13309	1.7
215.06964	1.9
217.08566	10.7
217.48616	1.2
219.06279	1.8
219.08195	2.3
219.10176	4.5
221.06094	1.4
221.08049	2.5
223.09685	2.9
226.06273	3.0
227.07054	1.4
231.06337	1.6
233.07965	8.0
233.10069	1.3
235.07541	2.3
235.09651	17.1
237.09030	1.4
239.07068	2.5
240.07776	1.5
241.08566	8.5
247.07454	2.5
248.08281	1.7
251.07054	1.5
254.05600	1.9
255.06616	1.4
257.08099	3.6
263.06979	2.3
264.07755	1.5
268.07239	1.9
269.08054	5.4
271.06152	2.4
276.07846	2.8
277.08627	3.2
279.06589	3.0
279.10132	1.7
279.13028	1.4
283.09741	2.2
288.07462	1.5
289.10953	1.7
291.06778	1.8
291.10123	2.9
294.08878	1.9
295.09601	3.4
297.07623	3.4
301.10815	4.4
306.08856	1.6
307.06271	1.6
307.09662	3.4
309.11288	2.0
314.07761	4.9
318.08951	2.1
320.10251	1.9
321.07526	1.8
321.11130	2.0
323.09015	1.6
324.10162	1.4
327.12347	2.2
329.10181	13.2
331.11722	3.4
332.15704	1.7
335.09140	1.8
337.10690	4.7
339.08438	2.0
339.12402	2.6
349.10709	2.3
351.12311	3.6
353.10098	1.5
353.14001	2.3
355.11615	4.2
356.15836	2.1
357.13168	1.7
363.12393	2.6
367.11633	1.9
369.13266	3.8
371.14999	2.6
373.12946	1.5
379.11728	2.1
381.13477	7.7
383.14813	2.0
385.12823	4.1
387.14331	2.9
397.12482	2.9
399.14148	6.1
411.14148	4.3
423.14185	1.4
429.15228	3.4
441.15274	4.4
459.16541	23.9
510.89093	1.3
535.19318	1.5
547.19763	6.0
553.20892	7.7
565.20593	20.4
583.21588	20.8
583.30408	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01871	8.1
57.03181	1.1
57.03431	5.3
61.02927	4.4
68.99785	2.4
69.03429	38.1
69.03809	1.8
69.88904	5.5
70.06586	2.6
71.01369	1.1
71.04998	6.6
73.02925	4.9
81.03417	21.1
83.01347	1.1
85.02903	100.0
87.00825	14.7
87.04473	2.0
88.07681	0.8
91.03939	1.4
91.05471	5.1
92.68878	1.0
97.02891	22.0
98.20811	1.3
99.04459	15.3
101.02326	1.4
103.03942	1.7
105.01875	8.3
105.07014	1.7
109.02876	25.3
110.07172	1.1
111.04443	1.1
115.03954	1.0
117.01852	1.8
119.04933	3.3
123.04464	2.0
123.42453	0.9
127.03918	55.8
129.01817	5.7
129.07007	2.1
133.06485	1.8
135.04436	1.5
137.05977	26.3
145.04951	25.7
147.02916	4.9
147.04366	5.5
151.07574	4.4
155.07129	1.0
155.49005	0.9
156.07651	0.8
157.06493	2.0
159.02869	6.0
161.05959	5.7
163.03938	5.9
165.05542	2.6
171.02896	3.6
171.07997	1.1
175.07504	4.3
177.05312	1.0
179.07030	16.9
183.02936	1.2
185.06036	1.6
189.03937	5.4
191.31035	1.0
193.21556	0.8
199.07516	2.2
203.07002	7.0
205.08617	1.2
213.03931	4.4
217.08641	2.9
221.08093	17.0
227.07150	2.1
231.04997	49.3
245.08112	16.5
249.06068	26.7
263.09143	36.9
349.09250	2.8
367.10342	8.3
385.11398	2.8
403.84448	0.8
419.42014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.05499	6.4
57.07067	4.3
59.04981	3.6
65.03940	3.7
67.05501	15.5
69.03427	6.1
69.07063	13.4
69.92032	6.5
69.92435	4.4
71.04987	3.5
77.03946	1.7
79.05499	21.5
81.07058	32.7
83.04964	6.1
83.08611	6.4
85.06535	4.1
91.04951	3.4
91.05476	34.5
93.07045	35.9
95.04970	58.9
95.08607	20.0
97.06518	2.9
103.05476	3.4
105.07030	66.9
107.08595	40.2
107.40363	2.0
107.87576	1.9
109.06508	13.4
109.10167	14.9
111.08086	2.5
111.11731	2.2
115.05451	6.9
116.06225	3.6
117.07008	18.7
119.04946	5.3
119.08581	64.1
120.33945	1.9
121.06506	8.4
121.10133	34.1
122.07284	6.8
123.08065	18.0
123.11692	5.9
128.06230	20.0
129.06979	21.4
130.07851	9.1
130.08618	1.8
131.08568	45.5
132.09335	2.0
132.91025	2.0
133.06496	6.4
133.10141	29.4
134.07253	2.8
135.08040	17.1
135.11697	8.1
137.09630	5.2
138.10367	2.6
141.07001	12.8
142.07779	20.7
143.08566	68.1
144.09320	9.5
145.06451	5.6
145.10126	66.0
147.08022	9.3
147.11681	16.5
148.08878	4.5
149.09605	9.6
153.07005	6.3
154.07800	3.7
155.08553	26.8
156.09369	19.4
157.10129	58.8
158.07224	2.5
158.10977	10.5
159.08057	15.9
159.11690	26.7
160.08730	2.3
161.09596	16.0
161.13264	3.2
163.11162	2.0
165.06947	10.2
166.07780	6.3
167.08565	15.5
167.10689	7.1
168.09314	11.3
169.10126	34.0
170.10881	7.3
171.08087	3.5
171.11694	32.0
172.08821	2.8
172.12425	3.2
173.09625	15.8
173.13277	16.1
174.10257	2.2
175.11165	7.5
175.14850	3.3
177.09076	2.1
178.26776	2.0
179.08562	16.6
180.09346	9.0
181.10114	25.5
182.10886	14.5
183.08002	3.6
183.11702	33.0
184.08862	3.2
184.12448	3.9
185.09659	11.3
185.13257	14.1
186.10356	4.2
187.11237	11.5
187.14842	4.7
188.11906	6.5
189.09087	5.9
189.12778	10.1
191.14320	10.7
192.09332	7.3
193.10127	25.6
194.10953	11.7
195.07983	2.6
195.11670	30.7
196.08830	4.0
196.12492	8.2
197.09648	10.6
197.13272	26.2
198.14015	7.3
199.11171	18.5
199.14801	11.4
200.11873	2.0
201.12740	8.0
203.08563	2.5
203.14362	6.4
205.10144	7.3
206.10901	8.5
207.11713	21.7
208.12466	7.3
209.09456	3.5
209.13315	23.0
210.10435	5.2
210.13980	7.7
211.11220	12.2
211.14763	15.6
212.11914	3.2
212.15572	3.1
213.12740	10.2
213.16408	7.1
215.10788	2.8
215.14281	5.5
217.10114	5.7
217.12183	3.6
217.15913	4.2
218.10936	6.0
219.11685	11.6
219.13593	1.9
220.12419	6.3
221.13260	16.6
222.14001	7.0
223.11188	8.3
223.14801	16.0
224.11821	2.8
224.15514	2.9
225.12749	12.5
225.16324	4.6
227.14288	17.1
230.10889	2.4
231.11674	8.3
231.13800	4.4
232.12469	4.7
233.13298	12.2
233.15312	3.8
234.14096	2.1
235.11166	3.8
235.14810	13.0
236.11993	3.0
237.12721	6.0
237.16391	5.3
238.13559	3.1
238.17055	2.4
239.14296	5.9
239.17984	5.2
240.14966	2.3
241.15852	6.2
243.11681	4.9
244.12375	4.3
244.14606	2.1
245.13205	8.9
245.19243	1.9
246.14137	3.2
247.14841	9.7
248.15627	1.9
249.12833	3.7
249.16422	6.3
251.14276	6.6
251.17960	2.7
253.15865	7.8
255.17442	7.8
256.18304	2.0
257.13187	3.1
257.18829	2.5
259.14816	5.0
261.12680	3.3
261.16397	8.5
263.14243	6.4
265.15894	5.9
269.19073	3.9
271.16885	6.1
273.18521	75.3
275.14285	3.1
275.17673	3.6
277.15817	6.7
277.19431	3.3
279.17279	3.3
281.18985	3.7
284.15720	2.9
286.19312	4.5
287.20187	3.2
289.15903	12.3
289.19040	2.8
291.17380	4.8
291.21033	6.4
293.19138	3.5
297.18707	2.0
299.20126	30.5
300.20877	2.5
303.17554	3.1
303.20813	2.3
309.22104	3.7
311.20035	3.0
313.19345	2.2
315.17435	2.2
315.21039	3.7
319.20456	8.8
325.21506	6.1
331.20563	2.2
333.21918	2.8
334.23007	4.0
337.21683	27.3
339.23166	2.6
349.21466	2.9
350.22189	2.4
351.23132	6.2
352.09860	2.1
352.23959	100.0
353.24542	5.2
357.22141	5.0
363.23129	8.6
365.24841	15.4
373.25516	2.1
376.24078	3.8
391.26215	2.4
401.28613	2.0
406.28510	2.9
429.27853	6.3
434.28244	6.1
443.29401	4.9
444.30209	42.0
445.30679	7.4
477.31842	2.0
490.34674	16.4
526.34320	2.5
564.39301	3.5
582.40698	57.3
583.40942	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	582.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01877	11.0
57.03431	5.1
61.02929	6.6
68.99792	3.6
69.03431	33.3
70.06583	2.2
71.04995	4.5
71.62021	2.1
73.02924	5.4
81.03415	20.5
85.02905	100.0
87.00822	16.1
87.04440	0.9
91.03952	2.0
91.05452	5.6
97.02891	22.0
99.04461	14.2
101.02354	1.0
103.03950	1.3
105.01876	9.2
107.04935	1.0
109.02882	29.2
117.01837	1.1
119.04916	5.9
122.37067	0.9
123.04461	2.8
127.03919	57.0
129.01845	7.7
129.07050	1.7
133.06477	1.6
137.05986	30.3
145.04961	23.7
145.06651	1.1
147.02917	4.7
147.04395	6.4
149.05998	1.5
151.07556	3.7
153.01804	1.2
155.07071	1.2
157.06517	2.5
159.02904	6.4
161.05978	6.8
163.03923	3.1
165.05486	3.0
169.40041	0.9
171.02861	2.4
175.07559	4.8
176.12161	1.0
177.05489	1.3
179.07027	14.1
181.06635	1.1
185.06012	1.5
189.03979	5.3
189.05394	0.9
191.07115	1.1
199.07631	2.7
203.07072	8.0
213.03844	5.8
217.08626	2.8
221.08115	17.9
227.07028	2.4
231.02718	2.0
231.04997	33.1
245.08086	17.1
249.06055	20.4
263.09152	40.3
328.38113	0.9
331.08417	1.1
349.09232	3.3
367.10233	8.3
385.11191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1498
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.01881	0.7
57.03432	1.6
57.15850	0.3
61.02922	3.7
68.99776	0.4
69.03418	1.9
70.04563	0.5
70.04972	1.4
70.06580	1.2
70.72006	0.3
71.04985	0.4
72.08127	0.3
73.02914	8.7
74.06041	0.5
81.03405	0.8
84.08167	0.8
85.02421	0.6
85.02899	5.3
86.09696	0.6
87.04433	0.3
91.03961	2.8
97.02887	4.1
103.03973	0.3
107.04964	0.4
111.00796	0.4
115.03929	3.0
121.02842	1.8
127.03893	1.3
133.02875	0.5
133.04936	1.7
133.06474	0.4
137.02341	0.6
137.05971	0.6
145.04951	1.0
147.04466	0.4
153.01846	2.8
163.06015	0.9
165.01831	1.2
177.05415	0.5
183.02881	0.7
185.05968	0.6
193.08722	0.4
211.41034	0.3
213.05418	1.2
231.06451	0.7
258.05212	0.9
287.05487	100.0
288.05841	1.3
299.05505	0.6
325.06824	0.5
329.06223	0.4
353.06799	0.4
382.63138	0.3
428.28986	0.3
445.18753	0.3
449.10748	0.8
581.21954	3.8
600.51093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1495
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03932	0.1
54.93801	0.1
55.01863	0.9
57.03429	2.0
59.04993	0.2
59.06117	0.2
61.02635	0.1
61.02919	1.8
68.99782	0.5
69.03063	0.2
69.03419	3.2
70.06571	0.5
70.70955	0.3
70.71318	0.2
71.01336	0.4
73.02910	9.7
81.03407	0.9
84.01261	0.1
85.02895	8.3
85.07663	0.8
87.04453	0.5
91.03932	0.4
92.94448	0.1
97.02266	0.2
97.02882	4.7
99.04446	0.4
103.03937	0.2
105.03319	0.1
107.04943	0.4
109.02882	0.8
111.00110	0.1
111.00774	0.6
115.03916	2.2
121.02847	2.0
127.03893	1.9
128.11827	0.6
131.40436	0.1
133.02841	0.4
133.04953	2.3
137.02319	0.5
139.03943	0.1
145.04951	2.5
145.06171	0.2
147.04384	0.4
153.01819	2.7
157.06493	0.2
161.05890	0.1
163.05994	0.3
165.01822	1.5
183.02914	0.7
185.05916	0.4
189.05478	0.1
193.04944	0.1
197.05998	0.1
199.04175	0.1
213.05476	1.0
223.05952	0.2
231.06401	0.6
238.33888	0.1
241.04898	0.5
241.07082	0.2
243.06750	0.1
258.05252	0.9
259.06046	0.3
269.04373	0.2
287.05466	100.0
288.05832	0.9
299.05484	0.2
329.06543	0.5
353.06625	0.2
381.21457	0.1
431.09952	0.1
435.96475	0.1
449.10565	0.6
553.70605	0.1
570.77008	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	581.1499
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
55.01873	0.8
57.03434	2.3
59.04979	0.4
61.02914	1.2
68.20603	0.3
68.99788	0.5
69.03424	3.5
69.57196	2.1
69.57613	0.7
71.01334	0.8
73.02915	8.9
75.79558	0.3
81.03394	0.9
82.44585	0.3
85.02902	7.4
87.04440	0.6
97.02899	4.3
109.02868	0.8
111.00802	0.6
115.03921	1.6
121.02858	2.1
127.03911	1.5
133.02853	0.7
133.04956	2.4
137.02338	0.7
145.04930	2.3
153.01837	2.5
157.06512	0.5
165.01849	1.3
183.02928	0.7
201.57857	0.4
213.05438	1.1
231.06563	0.5
241.04854	0.6
258.05319	0.9
280.59671	0.3
287.05493	100.0
288.05853	1.1
299.05563	0.6
329.06473	1.0
373.91095	0.3
383.06857	0.4
448.63458	0.3
449.10611	0.7
464.84189	0.4
528.99481	0.4
529.93182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.05507	11.1
56.92161	1.6
57.07077	3.9
59.04987	3.6
65.03943	3.1
67.05214	2.1
67.05506	23.1
69.03420	8.4
69.07079	13.0
70.89642	3.8
70.90007	4.2
71.05016	3.0
74.73907	1.6
79.05498	18.5
79.69747	1.7
81.03426	3.6
81.07059	26.6
83.04952	5.4
83.08616	8.7
85.06532	4.8
91.05473	31.0
93.07043	38.8
95.04964	13.5
95.08608	28.2
97.06522	5.9
98.21342	2.4
103.05482	2.5
105.04507	2.3
105.07033	49.3
107.04943	3.1
107.08590	28.5
109.06515	8.6
109.10145	15.0
111.08099	3.6
115.05434	5.4
117.07022	12.6
119.08586	47.3
121.06520	4.9
121.10146	47.4
123.08088	18.6
123.11707	6.0
124.97182	1.8
125.09634	2.8
128.06264	7.2
129.06995	12.1
130.07794	4.7
131.08556	24.3
133.06483	4.6
133.10114	45.7
135.08032	10.4
135.11688	15.2
137.09610	7.6
139.11145	4.1
141.06969	6.4
142.07761	13.4
143.08585	22.4
144.09346	4.6
145.10129	35.8
145.11246	2.3
146.07304	2.4
147.08087	14.8
147.11713	11.9
149.09613	19.7
151.07562	20.9
153.07001	2.3
154.07771	3.3
155.08534	10.6
156.09366	10.4
157.10136	37.2
158.10913	3.3
159.08064	8.4
159.11674	22.3
161.09608	7.9
161.13245	8.3
163.11185	6.2
165.07016	7.0
165.09131	21.7
167.08546	7.1
167.10684	32.0
168.09293	4.2
169.10100	17.4
170.10933	6.2
171.11658	21.1
172.12434	3.0
173.09634	9.1
173.13263	20.4
175.11195	2.3
175.14906	4.2
178.07866	2.0
178.22733	2.0
179.08646	10.3
179.14360	2.3
180.09285	4.7
181.10066	11.5
181.12262	4.6
182.10904	5.6
183.11674	15.9
184.12502	3.0
185.09622	5.7
185.13232	12.4
187.11186	4.2
187.14828	12.1
189.12758	8.3
191.10703	2.9
191.14316	4.2
192.09488	2.3
193.10152	10.2
194.10873	5.6
195.11697	16.8
195.13557	3.2
196.12492	6.5
197.13255	12.6
198.10370	2.8
198.14098	2.4
199.11133	4.0
199.14870	8.0
201.12721	4.0
201.16324	3.4
203.14238	9.6
205.10152	2.5
206.10939	6.9
207.11739	10.5
207.13823	7.5
208.12454	7.5
209.09894	2.5
209.13283	11.6
209.15030	2.6
210.10280	3.0
211.11134	2.6
211.14845	13.3
213.12804	4.5
213.16386	4.0
215.14354	5.9
217.10141	2.4
218.10866	4.0
219.11725	7.9
221.13278	9.6
221.15335	43.5
222.13980	3.1
223.11192	2.9
223.14874	7.9
225.12837	2.9
225.16405	5.5
227.14441	3.2
231.11705	4.8
232.12471	4.7
233.13251	6.5
233.15440	12.5
234.14006	3.3
235.14871	6.9
237.12737	2.7
237.16434	6.9
239.14407	2.6
239.17952	4.1
241.15874	3.3
244.12393	2.5
245.13307	5.7
246.13991	3.6
247.14861	6.2
249.16428	5.5
251.14250	2.7
251.18040	2.9
253.19781	2.4
257.13150	3.8
259.14792	4.9
261.16455	5.2
263.17999	4.3
265.15982	3.3
269.19162	2.7
273.16257	4.2
275.17889	4.4
277.15900	2.9
277.19452	4.0
279.17365	3.4
284.15558	2.2
287.20468	2.3
289.19482	3.6
291.17654	2.9
299.20413	2.9
303.20862	2.3
311.20093	3.3
312.20847	10.1
317.19025	2.7
317.22687	2.5
355.24512	2.3
359.23801	3.7
373.25195	5.6
383.27191	2.4
391.52451	2.8
393.24188	4.0
553.40192	4.5
563.39001	14.7
581.30157	5.5
581.39868	100.0
582.40179	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	579.2602
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
51.49262	0.7
53.76825	0.8
67.05499	1.2
67.24277	0.8
71.59576	1.6
84.97578	0.9
90.61530	0.7
91.49117	0.7
98.66624	0.9
131.92764	0.8
202.84686	0.7
214.28145	0.8
231.48074	0.9
274.23962	0.8
356.79019	1.0
363.16107	2.3
364.16788	0.9
375.16513	1.2
377.17596	2.5
378.19006	1.4
379.19223	2.9
389.17587	1.6
390.18906	1.3
391.19263	2.7
392.16000	1.0
392.20639	1.2
393.20859	3.4
405.16702	1.4
405.21185	2.0
406.17834	3.1
407.18155	1.3
407.22562	2.9
408.23169	1.0
419.22559	2.2
420.15479	1.7
421.20084	9.3
431.18436	1.1
433.16666	3.1
434.16803	1.5
435.17175	6.2
435.22577	3.0
436.22650	13.2
437.23746	1.7
445.20322	1.6
447.22037	2.7
448.18982	3.2
449.19223	10.7
450.24683	1.0
460.22693	1.4
462.20825	1.1
463.21048	9.5
464.22089	2.7
467.37628	2.0
474.23987	1.3
475.20847	11.8
476.21799	1.6
477.22891	5.9
491.24554	3.6
492.21503	16.7
503.24496	1.8
507.27853	1.2
519.23755	2.8
522.22400	1.2
523.27112	9.5
533.25409	1.4
535.27124	4.0
547.23682	1.8
551.26563	24.6
552.27734	0.9
579.26031	100.0
580.26233	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	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01863	3.5
55.05506	11.3
55.48027	1.1
57.03422	3.9
57.07062	4.3
67.05499	57.1
69.03417	4.3
69.07060	10.7
70.33717	1.0
71.04979	2.9
71.08596	2.4
71.09899	2.4
73.02902	3.0
79.05051	2.2
79.05487	32.5
81.03413	4.2
81.07051	66.2
83.04965	3.4
83.08605	8.5
85.02882	3.5
85.06538	2.5
91.05476	17.4
93.05485	1.4
93.06463	2.2
93.07038	37.1
95.04975	5.2
95.08597	53.6
97.02876	2.2
97.06516	1.9
97.10159	3.6
99.04456	2.6
99.08074	1.8
105.07008	17.3
107.08586	31.9
109.02870	5.8
109.10148	32.0
110.03643	2.9
111.04411	2.6
111.08028	1.5
113.09618	1.4
117.07034	8.6
119.08575	12.1
121.10131	27.2
123.08006	1.8
123.11691	18.2
127.03883	6.0
129.06993	2.6
130.02029	1.1
131.08560	16.9
132.99478	1.8
133.10132	14.0
135.11682	21.4
137.13234	8.4
139.11177	1.9
143.08443	1.9
145.10126	15.7
147.11678	9.6
149.13255	17.6
151.11215	1.7
151.14836	2.5
153.12730	2.8
155.01128	1.4
155.08546	1.4
155.79906	1.2
157.10146	1.4
159.11708	14.3
161.09641	1.4
161.13211	7.8
163.11128	1.3
163.14796	8.8
165.12828	2.0
173.13252	12.8
175.14809	3.7
177.12643	1.7
177.16414	5.9
179.14302	2.2
187.14838	6.7
191.00122	2.4
201.16362	1.8
205.15936	1.4
209.01241	1.5
215.17957	2.2
229.14375	1.3
233.22665	4.0
241.91147	1.2
243.21080	28.0
261.22119	100.0
262.22440	2.4
263.23712	1.9
279.23135	5.5
303.23178	2.4
317.24789	2.3
335.25800	14.4
353.26855	66.8
369.24142	2.6
372.87738	1.5
377.26736	3.3
443.27661	2.2
451.21637	2.5
561.27197	6.9
579.29401	1.5
579.38220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61910	2.9
55.05501	3.8
57.03437	4.1
59.55357	3.0
61.16361	2.5
62.55318	2.4
64.52855	2.6
66.35426	2.3
67.05509	12.7
67.05803	3.2
69.03425	4.0
69.07066	5.9
69.94540	15.6
70.06568	8.9
71.04987	6.1
74.33707	2.4
79.05495	9.4
81.07044	24.6
83.08604	2.8
84.08133	5.4
85.02903	18.1
85.46291	3.3
91.05474	10.3
93.07032	13.1
95.04951	17.6
95.08599	27.8
97.02890	6.7
97.06519	9.8
105.07024	43.0
107.08563	15.7
109.06518	8.6
109.10152	16.1
111.11697	3.0
119.08573	18.2
121.10136	9.5
123.08036	4.6
123.11671	4.2
125.02298	3.4
127.03875	2.6
131.08574	5.7
133.10129	9.1
135.11703	7.6
137.05972	3.6
137.09607	9.9
145.04939	6.5
145.10143	14.5
147.11681	9.5
149.09596	3.8
153.01756	3.0
159.11725	14.5
161.13249	98.4
163.07475	2.9
163.14803	7.8
167.07037	8.0
173.13274	11.4
191.17915	8.0
201.16368	39.9
215.10799	3.6
219.15431	5.5
219.17432	70.0
237.18478	100.0
287.05450	11.7
347.14404	2.8
363.21817	3.8
406.50317	2.8
579.20581	4.3
604.87903	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.207
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
57.03409	1.0
58.06571	0.4
65.03928	1.0
65.60052	0.3
69.03431	2.1
70.06570	1.1
71.04986	0.9
71.64039	0.5
72.08113	0.5
73.02910	0.4
78.04688	1.7
79.05480	0.6
81.03384	0.6
82.03693	0.3
82.04165	0.5
84.08122	0.4
84.82056	0.3
85.02894	3.9
86.09714	0.4
87.04449	0.6
91.05479	0.9
95.04979	0.9
97.02883	1.2
97.06521	0.5
103.05450	0.9
106.04169	1.4
107.04932	1.3
109.02857	0.5
109.67336	0.3
110.03671	0.7
111.04482	0.8
115.03965	0.5
115.05447	2.9
116.81153	0.4
117.07007	5.9
122.27316	0.5
123.04427	5.1
124.05231	1.8
125.05946	0.4
127.03909	0.9
127.05398	0.6
131.04903	0.5
137.02351	0.4
137.05968	0.6
138.03116	0.5
142.02603	0.4
143.04930	0.7
145.06483	9.4
145.07614	0.5
145.27441	0.3
147.08069	0.5
151.03883	1.1
152.04678	1.2
153.05482	0.4
155.06020	3.2
160.05116	0.5
161.05980	0.5
167.07039	100.0
168.07401	1.2
171.06589	0.9
173.05991	20.5
175.07584	0.5
181.04958	24.0
191.14317	0.4
201.05495	0.6
205.08598	3.8
207.06410	0.4
207.10167	0.4
225.88562	0.3
233.08090	6.6
235.09641	5.4
244.37149	0.4
273.07568	0.4
280.07108	0.5
287.00778	0.4
287.05582	1.5
303.04968	0.8
363.73532	0.4
369.06238	0.5
387.14386	20.7
388.14816	0.4
417.15463	14.0
447.09357	1.0
579.20691	52.0
580.20978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
50.98675	0.5
51.02366	0.7
53.03952	1.0
55.01859	2.0
57.03428	0.8
57.98236	0.5
65.03934	0.7
66.04735	0.6
66.27905	0.5
69.44936	5.6
77.03916	0.6
78.04698	0.9
79.05492	9.4
81.07047	1.1
91.05479	7.8
92.06257	0.8
92.68220	0.6
93.07015	1.0
94.04185	1.1
95.04977	2.7
98.21531	1.0
103.05467	8.4
104.06241	2.1
105.07026	35.7
107.04955	9.4
109.06527	1.4
111.04482	1.0
115.05465	2.9
116.06238	1.0
117.06999	1.6
118.04156	5.4
119.04973	3.8
119.08526	0.5
120.05703	2.0
121.06504	4.3
122.03649	1.0
122.07283	2.3
123.04453	0.9
124.05212	1.3
125.05982	0.6
128.06209	2.6
129.06985	1.4
131.04918	3.1
131.08549	1.2
132.05687	2.1
133.06490	29.8
134.07281	2.7
135.04381	1.9
135.08054	13.7
137.05981	11.9
141.06973	1.2
143.08549	3.4
145.06479	1.3
147.04379	2.3
147.08038	2.0
148.05176	1.5
149.05960	2.1
150.06749	9.5
151.03894	0.6
151.07455	0.8
153.05475	1.1
157.06468	1.6
158.07240	1.4
159.07976	1.0
161.05988	4.0
162.06714	1.1
163.07544	7.0
165.05464	1.8
165.09108	18.1
167.07034	10.7
169.06435	0.6
170.07224	1.7
171.08067	6.7
172.08783	0.8
173.06004	0.6
174.06796	0.7
175.07578	1.2
176.08359	0.8
177.05396	1.6
177.09155	1.1
178.06227	1.3
178.09920	2.7
181.08574	2.0
185.09666	3.0
186.10368	0.8
187.07547	1.6
188.08307	1.7
189.09094	1.6
191.07011	4.0
191.10719	1.6
192.07814	29.5
193.08603	100.0
194.08990	1.3
199.07542	2.6
201.09134	1.5
203.10716	0.8
205.08546	0.8
206.07661	0.5
206.09326	2.9
207.08102	0.9
214.09921	2.2
217.08577	8.5
218.07327	1.0
218.09300	1.0
219.08119	0.8
219.10092	1.0
220.08925	0.6
221.09727	0.8
221.11700	21.3
221.13857	1.1
231.08115	0.9
231.10110	3.6
232.08820	0.9
232.10904	8.7
233.09586	2.7
233.11725	1.5
235.07526	2.1
247.11249	0.8
248.08374	1.2
249.09177	1.9
250.09921	1.9
260.08292	1.0
261.09134	2.6
262.09921	0.6
263.06998	1.9
263.10699	0.8
264.07867	0.9
265.08481	1.3
267.10120	1.1
277.08722	1.1
278.09381	4.1
279.10107	1.7
280.07306	1.0
282.12552	0.9
291.10025	1.0
292.10907	0.8
293.08435	0.8
293.11725	2.6
295.09601	1.4
296.10406	0.7
307.09793	1.0
310.11960	1.5
311.13025	0.7
321.11118	2.9
322.11877	0.6
323.09113	1.3
323.12704	1.2
325.10852	1.1
325.14377	2.1
335.12653	0.5
338.11377	0.9
339.12262	1.6
353.13815	8.8
354.14359	0.8
355.15552	0.9
370.14282	0.9
385.16458	29.9
385.72955	0.6
386.17191	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	578.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01867	1.5
55.05489	0.6
56.39478	0.6
57.03412	1.2
58.99583	1.6
61.02914	0.8
67.05514	1.2
68.99810	0.7
69.03429	40.1
69.07059	3.0
69.74897	4.3
71.04987	2.0
71.38596	0.6
73.02914	0.7
76.02229	4.4
79.05488	1.2
81.03420	5.1
81.07050	4.6
82.60090	0.5
83.04974	2.7
83.08631	0.7
83.46238	0.6
85.02905	11.6
85.06521	2.0
87.00825	4.0
91.05464	2.5
93.07037	3.5
95.08603	6.1
96.83068	0.6
97.02893	3.8
97.06505	2.7
99.04434	1.7
105.01865	2.2
105.07040	3.4
107.08591	10.1
109.02872	4.0
109.06512	3.7
109.10159	2.2
111.08064	2.1
119.08578	3.3
121.06494	1.7
121.10146	11.2
122.02719	10.6
123.08049	2.1
123.11685	5.3
125.09630	12.8
127.03916	9.0
131.08563	4.2
133.10135	3.6
133.68498	0.6
135.08054	8.6
135.11682	4.3
143.08615	0.8
145.04977	3.4
145.10095	3.0
147.08118	0.7
147.11731	3.0
149.09604	6.4
149.13246	3.3
151.11168	1.1
152.05682	1.1
153.09131	4.5
158.10924	2.9
159.02869	2.5
163.11186	1.9
163.14801	4.5
165.12764	2.4
167.10648	1.2
173.13271	16.0
175.40501	0.6
190.05295	0.7
191.14305	64.3
207.06441	0.7
209.15367	100.0
210.15732	1.1
223.11539	3.1
231.04973	1.7
241.12578	3.0
280.05762	0.8
330.17319	5.1
542.17615	0.8
578.22290	2.5
597.90948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.19195	0.7
53.03939	1.3
55.01857	1.7
55.05492	0.9
55.28256	0.6
57.03421	3.1
61.02916	1.6
67.97334	0.7
69.03427	7.8
69.07061	0.9
69.59915	4.6
71.04993	17.0
73.02904	1.7
79.05479	1.2
81.03405	6.0
81.07019	1.1
81.29359	0.8
83.04950	2.1
85.02904	24.6
87.00832	3.7
87.04470	0.8
92.02576	0.8
95.04959	1.0
95.08604	1.0
97.02898	5.3
97.06523	3.1
97.25346	0.7
98.20794	1.3
99.04447	2.0
105.01852	3.0
105.06982	0.7
107.04939	1.3
109.02880	4.2
111.04427	1.5
115.03915	2.3
121.02869	2.0
123.04415	0.7
127.03905	6.0
127.38279	0.7
129.05472	5.4
137.05952	1.0
139.03918	1.0
145.04933	1.9
147.04454	0.9
147.06535	1.5
151.03914	1.7
159.02864	3.4
163.03856	1.2
167.03400	10.2
167.07101	2.0
177.25485	0.7
179.03288	1.1
191.03406	1.7
197.04544	0.9
227.07162	1.0
231.06685	1.3
242.05826	1.0
243.06543	2.2
258.05325	3.4
259.06049	1.5
260.06808	2.2
271.06015	1.6
286.04730	2.4
287.05524	2.3
288.06360	3.5
299.05414	2.2
301.07065	76.7
313.07065	1.9
316.05743	13.4
331.08115	100.0
332.08548	2.7
339.08487	1.5
343.08109	3.1
351.08566	1.7
367.08032	3.0
369.02985	0.7
379.07837	1.0
397.09137	4.2
415.10352	1.3
433.11530	1.0
579.22150	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	579.1709
Annotation	Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.29794	0.5
55.05484	0.7
57.03432	3.0
69.03432	4.1
69.63157	1.1
69.63567	2.7
71.01351	0.8
71.04996	16.0
73.02915	2.8
74.64245	0.4
75.04449	1.0
81.03400	0.6
83.04980	2.5
85.02906	24.3
91.63293	0.5
95.04961	0.7
97.02897	4.6
97.06511	1.1
98.20837	1.1
99.04459	1.3
107.04971	0.6
111.04416	1.1
115.03929	2.7
117.05505	0.8
121.02882	3.1
121.40053	0.5
129.05490	6.1
139.03870	0.6
145.04903	0.5
147.06503	2.0
151.03854	0.8
167.03381	1.9
167.06953	0.7
171.06511	0.8
179.03360	1.0
225.07542	0.8
227.07115	0.6
257.04456	0.5
258.05298	4.0
261.79907	0.5
272.07007	0.7
283.06039	1.5
286.04648	3.5
301.07068	100.0
302.07404	1.5
313.07059	4.0
324.06296	0.8
339.08636	2.3
343.08173	3.6
351.08875	1.1
367.08090	3.9
369.09857	0.5
379.08078	1.9
397.09201	5.5
415.10315	2.3
433.11450	2.8
579.22278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01868	1.1
55.05519	1.1
57.03430	0.7
57.07077	1.3
58.99575	1.0
59.09639	0.4
61.02919	0.7
62.21948	0.4
66.00754	0.4
67.05504	1.7
68.99766	0.4
69.03429	39.0
69.07067	2.6
69.70409	1.6
69.70829	1.4
70.06597	0.9
71.04993	1.3
73.02913	0.8
76.02238	2.8
79.05473	1.9
81.03417	4.4
81.07047	3.9
83.04963	3.1
83.08622	0.9
85.02905	10.8
85.06554	1.4
86.09726	0.4
86.99046	0.7
87.00836	3.8
91.05463	2.3
93.07032	2.5
95.04970	0.4
95.08604	5.5
97.02902	3.7
97.06551	1.9
99.04432	2.4
100.02197	0.9
105.00091	1.1
105.01866	2.7
105.07044	3.3
106.04044	0.4
107.04958	0.8
107.08594	8.9
109.02884	3.8
109.06498	2.9
109.10157	2.0
111.08107	1.9
117.01843	0.8
117.07034	0.5
119.08575	3.1
121.06508	1.5
121.10145	8.4
122.02735	10.2
123.08075	1.9
123.11706	6.4
125.09634	12.2
125.10562	0.8
127.03920	7.2
129.01817	0.4
131.08572	4.9
131.57071	0.4
132.67653	0.4
133.10132	3.0
135.08047	7.5
135.11664	4.2
137.09596	0.5
144.09302	0.4
145.04950	2.3
145.10143	2.5
146.02704	0.6
147.04352	0.6
147.11678	2.2
149.09613	6.8
149.13220	2.4
151.11154	0.9
152.05664	1.1
153.09099	4.6
158.10904	2.6
159.02887	2.5
160.88344	0.3
161.09610	0.4
163.03905	0.5
163.11133	2.2
163.14809	4.7
165.12756	1.6
167.05243	0.9
167.10693	1.4
171.11853	0.4
173.11752	0.7
173.13257	14.2
176.12025	0.5
191.14304	61.4
192.10168	0.5
192.14656	0.9
209.15361	100.0
210.15689	1.1
223.11559	2.4
231.05013	1.9
241.12616	2.1
265.67383	0.4
271.74976	0.4
318.24091	0.4
330.17291	5.4
334.05612	0.6
457.20029	0.5
560.21301	0.5
578.22339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
54.06879	2.3
55.01868	7.7
55.05258	3.9
55.05506	51.5
57.03426	11.3
57.07063	9.0
65.03949	4.1
67.05503	100.0
69.03416	5.6
69.07071	36.7
71.04980	15.1
71.08629	6.2
71.64854	5.1
79.05489	64.9
81.03401	6.1
81.07053	91.2
83.04978	8.2
83.08618	33.4
85.06525	9.1
88.52424	2.7
91.05473	53.9
93.07041	62.8
95.04974	14.0
95.08604	57.3
95.09214	1.6
97.06519	7.8
97.10174	36.0
99.08093	4.6
105.07026	60.0
107.04930	5.9
107.08588	40.2
109.06499	3.9
109.10139	34.2
111.04430	3.3
111.08070	10.2
117.07017	25.0
119.08563	30.9
119.68130	3.0
121.06513	5.9
121.10163	25.1
123.08099	5.9
123.11695	9.7
125.09615	32.4
128.06189	4.7
129.06999	16.3
130.07832	3.2
131.08566	36.3
133.10130	27.5
135.08031	8.3
135.11659	15.3
137.09625	4.4
137.13303	5.3
141.06990	5.9
143.08542	23.0
145.10127	24.4
147.08000	3.2
147.11696	18.0
149.09618	6.7
149.13235	8.7
151.11154	4.7
153.09074	3.1
153.12746	3.9
155.08571	9.5
157.10126	17.4
159.08029	3.9
159.11734	13.7
161.09607	5.6
161.13242	13.5
163.11180	10.8
163.14914	3.1
165.12697	3.5
169.10118	9.5
171.10208	2.3
171.11682	11.9
173.11775	4.8
173.13263	8.2
175.11211	2.7
175.14859	10.0
177.12686	8.2
179.14322	8.4
181.10173	4.1
183.11731	4.0
185.13210	13.5
187.14844	10.4
189.11278	16.7
189.16382	7.1
195.11787	3.5
197.13310	8.5
199.14781	6.6
201.16402	7.4
209.13385	4.1
211.14882	6.0
213.16425	5.5
219.17406	3.7
223.14862	3.1
225.16457	6.0
227.12787	44.9
227.17926	3.7
261.22180	3.1
267.15820	5.0
277.21640	6.6
283.15536	3.8
283.24084	5.7
287.23547	3.8
299.23709	4.2
301.22031	4.9
301.25241	18.3
315.23251	3.5
335.25760	7.0
407.24234	6.7
409.30762	5.2
417.31174	5.0
421.25839	8.9
427.31912	5.9
431.28244	3.7
435.32440	16.2
445.34018	3.0
453.33646	14.4
471.34607	10.4
501.35797	13.8
509.36716	5.2
519.36755	50.2
527.37292	49.3
541.35327	5.0
545.30298	4.5
545.38342	53.4
559.40204	17.6
577.41345	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	577.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21851	2.4
53.03936	5.7
55.01864	8.8
55.05501	18.9
57.03420	11.7
57.07064	10.9
61.02919	5.7
65.03917	2.6
67.05495	35.0
68.99746	2.4
69.03420	40.1
69.07063	55.3
70.03779	2.5
70.89930	2.6
70.90272	6.9
71.04980	7.1
71.08633	4.1
73.02901	6.0
79.05487	31.4
81.03410	38.6
81.06572	6.2
81.07050	95.8
81.22549	2.6
83.04965	8.5
83.08617	24.9
83.20979	2.5
85.02895	76.8
85.06536	9.7
87.00819	32.3
91.05463	15.0
93.07040	23.6
95.04963	4.9
95.08597	100.0
97.02883	26.7
97.06525	90.9
97.10165	22.2
98.06869	4.4
99.04444	9.5
99.08089	5.8
105.01848	25.0
105.07016	11.9
107.04959	5.5
107.08588	20.7
109.02873	28.1
109.06538	7.1
109.10143	50.1
109.10863	1.7
111.04445	5.9
111.08072	4.5
111.11714	18.0
114.82544	2.5
115.03914	2.8
115.05407	3.7
117.06976	4.7
119.04930	4.7
119.08540	11.0
121.10135	14.9
123.04410	3.2
123.11700	25.2
125.09595	2.9
125.13251	8.3
127.03049	4.9
127.03899	47.6
128.06247	3.2
129.01888	3.9
129.06943	4.0
131.08554	8.8
133.10109	6.6
135.11671	10.7
137.05986	13.3
137.13217	13.7
139.14708	3.1
142.07771	3.7
143.08521	7.1
145.04950	11.3
145.10075	5.6
147.04402	9.9
147.11647	3.6
148.04831	3.4
149.09631	3.7
149.13277	19.9
151.07663	3.1
151.14807	21.3
155.08519	3.7
157.10118	4.5
159.02840	5.7
159.08020	5.7
159.11734	4.4
161.05934	2.9
161.13231	2.9
163.07530	3.9
163.14827	12.7
165.05521	4.6
165.09068	3.0
165.16359	8.8
167.08574	3.4
169.10081	4.4
171.08002	5.3
173.09601	3.1
175.07532	3.6
177.09181	3.4
177.16455	4.1
179.17894	6.0
181.04822	3.1
181.06538	2.8
183.17351	3.5
185.09558	2.8
187.07526	5.5
189.03954	3.4
189.09077	6.0
193.08588	12.1
193.19441	2.8
195.07950	4.5
197.09567	6.1
199.07440	6.1
199.18501	2.8
201.09148	4.7
203.10779	3.6
205.08606	3.2
209.09714	3.5
211.11171	10.1
211.12996	2.9
213.03920	4.3
213.09129	7.1
214.09938	4.3
215.10674	18.2
219.21053	5.0
227.10634	4.4
229.12085	4.3
231.04979	11.8
233.11726	23.9
249.06029	3.4
249.25656	7.4
261.11313	4.5
267.13644	5.3
267.26740	4.0
271.13300	5.9
275.27335	11.2
281.28348	2.7
285.14792	6.4
289.14304	25.1
293.28387	21.8
311.16418	15.0
311.29517	17.5
312.49512	3.0
329.17480	18.3
329.30475	5.9
369.17014	4.5
373.18704	2.8
383.29410	3.9
397.16263	9.1
401.30484	3.9
426.93729	3.0
474.02310	3.0
505.31491	4.6
541.20752	4.0
559.22040	3.9
577.22235	6.2
577.31366	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	577.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03929	1.1
55.01865	1.2
55.05507	3.2
57.03432	1.0
65.03942	1.5
67.05502	3.6
69.03409	2.1
69.07086	1.1
71.04981	0.6
71.62663	0.9
77.03906	0.5
79.05483	5.5
81.03407	1.0
81.07056	10.7
83.04946	0.9
85.01913	0.5
91.05478	12.6
93.07037	11.2
95.04967	3.1
95.08607	3.1
97.06538	0.5
103.05470	1.0
105.07030	14.2
107.04938	2.3
107.08591	9.3
109.02831	0.5
109.06500	2.4
109.10143	0.8
115.05453	2.6
116.06223	1.0
117.07027	5.8
119.04922	2.0
119.08572	6.4
121.06490	5.4
121.10147	0.8
123.04404	1.3
123.08047	0.9
128.06233	7.2
129.07004	11.8
130.07829	1.1
131.04910	1.4
131.08566	20.5
133.06447	2.6
133.10130	5.0
135.04384	1.7
135.08055	0.8
135.11696	0.5
137.05882	0.5
141.06976	10.2
142.07782	11.1
143.08562	23.2
144.05661	0.7
144.09348	1.2
145.06470	6.2
145.10124	9.1
147.04440	0.7
147.08047	2.1
147.11678	2.2
149.05992	4.1
151.11186	0.5
152.06213	1.2
153.06985	10.9
154.07768	2.7
155.08554	26.8
156.09256	1.5
157.06462	0.7
157.10127	16.8
158.07246	0.7
158.10881	1.4
159.04390	1.6
159.08058	10.0
159.11681	6.8
160.08791	0.8
161.05937	1.3
163.07524	1.2
164.80447	0.5
165.06992	2.4
166.07829	1.5
167.08560	4.4
168.09344	30.8
169.06456	1.5
169.10110	5.6
170.10880	0.8
171.08070	1.7
171.11659	2.1
172.08827	1.1
173.06001	6.2
173.09616	4.5
173.13245	10.4
175.07599	3.1
175.11200	1.2
178.07759	1.8
179.08589	1.2
181.06483	2.2
181.10109	4.7
182.10945	0.8
183.08125	1.8
183.11696	65.1
184.12183	1.5
185.09628	2.1
185.13249	6.1
186.10403	1.8
187.07538	10.4
187.11099	2.7
193.08583	0.8
193.10138	6.3
195.08150	0.6
195.11650	1.1
196.08798	3.5
197.09622	0.9
197.13184	0.7
199.07579	0.7
199.11133	1.8
200.08279	0.8
201.09010	1.7
201.12740	31.0
203.10648	1.0
205.10146	0.6
211.11172	36.9
212.11598	0.7
213.09146	0.9
213.12895	0.8
215.14214	0.6
219.13768	3.3
225.12840	0.7
227.10654	1.8
229.12233	100.0
230.12654	1.3
235.14745	0.7
243.13834	3.3
247.13281	8.7
271.13351	1.7
281.15457	1.3
289.14340	7.1
396.20529	0.6
411.23224	1.8
429.24225	1.5
439.22461	0.7
457.23752	1.0
472.03180	0.6
517.25824	1.2
559.21466	0.7
577.28009	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	577.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03933	5.2
55.01875	6.7
55.05514	13.4
55.62878	1.0
57.03445	7.7
57.07058	2.4
63.99090	1.0
65.03925	1.9
67.05505	31.8
67.32586	0.9
69.03434	7.2
69.07065	10.4
71.04988	3.3
73.02910	7.4
75.04483	1.3
77.03934	1.3
79.05492	40.0
79.46321	1.1
81.03423	10.6
81.07054	33.9
83.04980	3.0
83.08620	5.4
85.02905	6.0
85.06509	2.7
91.05473	38.3
93.07042	50.7
95.04970	6.7
95.08600	24.8
97.02874	4.2
97.06540	4.2
97.10167	2.1
99.04441	6.3
99.08089	3.7
103.05457	2.1
105.04560	1.4
105.06314	2.2
105.07025	40.9
107.04963	1.4
107.08593	28.6
109.02879	12.5
109.06496	2.3
109.10135	9.9
110.03642	3.8
111.04465	8.4
111.08103	2.1
113.09673	1.9
115.05470	1.1
117.07010	11.5
119.08582	43.0
121.06517	1.3
121.10126	23.7
123.08057	2.1
123.11692	2.0
127.03957	6.4
128.06210	1.3
129.05574	1.1
129.06976	7.2
131.08557	17.5
132.99557	3.2
133.10124	31.7
135.11690	23.9
137.09615	1.4
139.11105	1.3
141.06952	1.7
143.08569	6.9
145.06487	1.4
145.10121	19.1
147.08049	2.2
147.11688	28.5
149.09631	4.0
149.13264	17.5
153.09206	1.4
155.08528	3.2
157.10136	8.2
159.11682	15.5
161.13261	24.6
163.11197	2.3
163.14793	3.4
166.07773	1.3
169.10127	1.6
171.11696	10.1
173.13251	10.4
175.11154	2.8
175.14789	10.6
177.12724	2.5
183.11700	1.8
185.13263	7.8
187.14755	2.4
189.12682	1.3
189.16248	1.5
191.00072	5.0
195.11591	1.3
199.14754	5.8
209.01230	2.0
211.13181	1.5
213.16368	3.9
231.17445	1.8
231.20998	6.2
241.19511	26.3
241.21977	1.3
249.34409	1.2
259.20575	71.7
260.21002	1.9
261.22150	1.6
271.20764	1.4
275.19965	2.6
277.21591	9.4
301.21594	2.0
315.23102	1.5
333.24371	10.1
349.23828	1.4
351.25302	100.0
352.25748	1.5
363.24997	1.6
369.23941	1.8
370.77097	1.1
375.25171	2.2
441.26602	1.8
442.59842	1.2
449.19736	2.3
485.22086	2.3
559.25854	3.4
559.35889	1.6
577.26208	2.1
577.37195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01853	5.4
56.96561	50.9
57.03426	12.3
61.02918	15.2
69.03432	32.5
70.06593	4.2
71.04995	18.0
71.09200	5.6
71.09532	4.6
73.02921	19.5
75.04454	2.9
81.03415	7.9
84.08123	4.0
84.96035	21.1
85.02901	79.2
86.03233	3.5
87.04454	4.3
87.39271	2.6
87.71250	3.2
89.03931	3.3
91.03881	3.1
97.02884	34.5
97.96794	4.5
98.97582	81.2
100.99145	8.8
101.00850	3.6
101.02394	3.8
102.96887	4.2
105.07003	4.1
109.02843	6.4
110.97565	14.1
111.04433	3.3
112.99134	13.5
115.03920	4.9
116.98627	51.2
119.00167	6.1
119.01902	12.6
127.03936	27.1
128.98601	25.1
129.05467	3.7
131.00154	38.1
131.01872	4.2
134.99670	21.4
135.04414	3.5
137.05946	6.6
140.02303	3.4
143.00156	28.2
143.01903	3.4
145.01707	9.9
145.03535	3.3
145.04964	14.9
146.99649	20.6
147.03275	3.7
147.04364	4.6
149.01221	28.6
152.98540	3.2
155.01868	3.4
157.01718	4.8
158.99658	26.0
161.01210	41.4
161.02890	9.5
162.99100	6.0
163.02708	6.4
163.03899	25.9
165.00681	13.9
167.02246	7.7
170.99651	16.9
173.01245	22.0
173.02910	11.6
174.99132	3.3
175.02780	9.5
175.04317	3.8
177.00693	38.2
178.04909	13.5
179.02246	7.1
181.00021	3.5
182.03384	4.0
182.99588	5.3
183.01749	8.4
184.04918	12.2
185.01271	4.5
185.02924	7.2
186.04677	4.2
186.99190	3.7
187.02737	9.2
189.00690	39.2
189.04340	9.9
191.02257	17.7
191.03911	8.5
193.00162	6.6
193.03856	5.1
193.05466	6.5
197.01450	3.7
200.04355	6.9
200.91023	3.3
201.00754	21.0
203.02303	7.2
203.04027	5.7
205.00119	7.4
205.03758	6.5
207.01778	100.0
207.05243	5.0
208.99583	3.9
212.02507	4.2
215.02182	3.9
217.00215	4.0
219.01752	38.5
223.01065	5.4
223.04851	11.6
225.02827	24.4
226.08644	4.4
227.04123	3.7
228.05690	6.9
229.03912	5.2
230.03331	6.6
231.01718	6.9
232.99698	3.8
233.03291	6.2
235.06601	27.5
235.08887	5.5
237.02776	36.5
243.01833	6.9
244.09842	3.8
245.05070	14.5
246.05417	4.6
247.04872	19.9
249.02818	48.5
250.07057	5.2
251.04181	4.4
255.03996	4.7
255.10080	3.3
259.07526	4.0
261.02737	27.6
263.06274	6.2
264.07333	4.1
265.02307	5.2
265.05884	94.8
267.03867	32.9
269.05475	3.4
272.06635	28.6
272.56775	4.7
274.08276	15.5
277.02338	5.3
277.05988	5.0
279.03876	56.9
281.07147	20.8
283.07001	88.9
288.07425	6.3
291.03799	11.7
293.05423	7.3
295.03293	4.3
295.06696	3.4
297.04971	17.7
305.01752	3.8
307.06989	11.0
309.04941	12.5
313.02386	3.1
321.04849	22.5
321.08649	12.4
325.09482	6.6
325.12860	4.5
333.05334	3.7
337.04361	4.7
337.08072	56.1
339.05963	3.8
339.10321	5.0
340.10074	4.3
341.07541	4.5
351.05997	11.0
353.09122	11.1
355.09119	52.0
362.09915	6.9
367.09030	11.8
369.07269	40.0
378.10745	7.8
379.09274	30.4
381.07211	6.7
387.05936	4.6
397.10327	63.6
399.07922	4.0
406.12189	11.9
420.11731	4.0
479.52194	3.1
493.08484	3.6
525.98853	3.2
553.54950	4.0
577.15063	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	576.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.6
57.03438	10.9
57.07063	22.6
61.84076	7.6
67.05493	16.5
67.14390	5.7
69.07055	14.4
70.31787	28.6
71.08619	21.5
71.95093	7.3
79.05495	7.7
81.03418	61.8
81.07040	22.0
83.08619	16.0
85.10190	12.5
91.05460	12.7
93.07037	7.2
95.04956	18.6
95.08589	19.9
97.10134	7.6
109.10150	8.2
109.89060	6.6
118.97652	7.0
129.07005	8.0
145.36205	6.8
146.46533	8.0
193.12300	20.1
267.15927	100.0
313.27396	91.4
348.76782	8.2
380.52979	9.1
412.45743	8.3
437.41577	7.1
439.08456	8.4
505.38940	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
57.03426	11.5
57.07070	28.4
67.05499	19.6
69.07107	7.9
71.08624	14.1
81.03410	59.7
81.07052	25.7
83.08630	15.5
85.10190	14.7
87.45775	6.7
91.05472	12.4
93.07031	10.0
95.04975	20.7
95.08630	15.6
98.20695	13.5
105.06993	12.0
109.10145	12.2
119.08593	7.9
121.10151	9.2
131.08592	11.1
147.11664	7.8
183.14230	6.5
193.12323	20.1
210.22891	7.8
210.45316	6.8
250.29427	6.8
267.15900	87.5
313.27332	100.0
351.65375	7.9
410.26111	7.1
473.08313	7.6
505.38736	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08627	6.0
53.03934	8.7
55.01859	7.8
55.05490	29.8
57.73423	6.2
67.05509	54.8
68.77782	6.6
69.07047	14.8
69.87435	16.8
69.87851	25.1
71.04989	10.8
72.04496	23.4
79.05486	60.1
81.03410	7.9
81.07053	56.9
83.04963	22.9
83.08556	7.2
85.06541	18.9
89.29173	6.0
91.05465	69.1
93.07046	88.6
95.04952	23.1
95.08603	47.6
97.06522	16.5
101.23875	7.3
103.05450	6.7
105.07028	100.0
107.04890	6.5
107.08582	93.2
109.06499	31.6
109.10140	30.4
115.05455	7.1
117.06996	39.0
119.08591	67.6
121.06484	16.2
121.10135	55.9
123.08072	11.6
123.11691	18.0
125.09611	28.4
128.06178	7.6
129.06969	24.9
131.08585	49.4
133.06468	11.3
133.10101	49.8
135.08037	21.6
135.11676	11.7
137.09633	17.1
139.11183	18.4
141.06996	10.2
142.07756	28.8
143.08566	22.2
144.09377	13.4
145.06483	16.8
145.10114	33.8
147.08051	10.3
147.11658	27.5
149.09633	33.0
151.11162	7.6
157.10152	45.6
159.07977	15.4
159.11687	85.0
161.09618	19.2
167.10645	16.4
169.10115	16.9
171.11723	12.8
173.09592	7.4
173.13162	13.3
175.11186	43.3
177.09102	10.2
177.12772	15.0
179.10645	6.6
181.10075	8.2
183.11679	13.0
185.09578	13.3
187.11137	13.0
189.09067	8.8
189.12672	7.9
194.10800	9.4
199.11215	15.1
199.14772	14.1
201.12720	20.8
203.10678	21.0
205.08693	7.2
205.12221	8.1
207.11588	9.3
217.12259	7.9
217.29819	7.0
223.14841	9.4
225.12901	9.8
227.10628	12.8
249.16492	8.4
261.22141	6.7
267.17441	11.1
298.16537	9.5
325.21375	11.2
335.25684	20.5
343.22592	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	576.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
54.78009	4.6
55.01847	6.0
55.05502	24.5
55.98608	5.3
57.03430	5.1
57.07066	10.8
63.41047	4.4
63.70892	5.5
67.05509	31.4
69.03413	8.7
69.07054	15.8
69.42890	54.8
71.04996	12.0
73.28428	5.7
79.05496	43.3
81.03411	9.8
81.07050	65.6
83.04977	20.4
83.08628	7.2
85.06524	11.1
87.04477	33.6
88.04827	7.9
91.05468	68.8
93.07041	73.9
95.04968	22.0
95.08600	35.9
97.06521	16.4
97.10189	10.0
99.04454	7.7
99.08081	15.0
105.07036	82.4
107.04964	9.6
107.08593	100.0
109.06516	19.8
109.10143	31.1
115.05459	9.6
117.07007	26.6
119.08570	62.4
121.06540	13.4
121.10144	51.3
123.08084	26.9
123.11707	18.7
125.09631	39.9
128.06197	13.6
129.07014	19.8
131.08572	59.1
133.06549	9.7
133.10100	38.0
135.08046	21.9
135.11655	15.8
139.03896	6.7
139.11130	12.7
142.07808	27.3
143.08546	24.1
144.09323	13.8
145.06526	11.6
145.10158	34.8
146.07318	12.7
147.08047	19.4
147.11678	32.7
149.09653	31.6
149.13280	10.0
151.11186	7.7
155.08617	8.6
157.10130	53.6
158.10918	6.2
159.08061	17.8
159.11690	84.2
161.09639	27.9
161.13272	9.2
167.00301	4.8
167.08562	6.3
167.10641	15.6
169.10120	11.5
171.08049	10.2
171.11720	19.7
173.09679	12.6
173.13203	9.0
175.11156	36.1
177.09125	12.9
177.12769	12.8
181.10158	7.3
183.11664	20.8
185.09654	19.7
185.13301	10.5
186.10352	8.5
187.11182	10.1
189.09064	6.7
192.68739	5.8
195.10127	11.4
197.13263	8.6
199.11153	8.1
199.14886	8.3
201.12756	17.5
203.10675	27.0
203.14296	8.7
205.08588	7.0
205.12067	7.9
209.13295	9.7
211.14774	8.0
217.12196	8.4
219.13727	6.4
221.11761	7.0
223.14799	8.8
227.10655	18.1
231.10298	5.3
267.17374	7.7
269.15305	5.7
285.18286	8.0
325.21570	9.2
343.22684	17.2
480.16675	6.1
576.39612	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	575.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05507	42.0
57.07073	76.8
65.03953	2.0
67.05503	41.4
69.07064	84.9
71.08626	64.9
71.65224	1.7
79.05482	6.7
81.07053	84.0
83.08614	67.7
84.08955	1.3
85.10181	37.9
87.04475	1.7
91.05497	2.2
93.07028	4.1
95.08601	100.0
96.08920	1.2
97.10165	62.1
99.11716	7.8
103.56421	1.0
107.08601	2.0
109.10150	71.0
111.11713	45.0
113.13261	5.5
121.10183	2.0
123.10807	1.5
123.11703	29.3
125.12437	2.1
125.13265	23.4
127.14823	2.8
135.11685	2.2
137.13245	15.6
139.14810	7.8
141.16365	2.0
151.14821	11.0
152.73004	1.2
153.16377	2.8
155.91895	1.1
165.16380	11.0
167.17952	1.3
179.17970	4.8
193.02435	1.1
193.19597	2.6
207.21060	1.5
214.28705	1.1
221.22879	1.2
291.30542	3.8
305.32083	2.6
313.27567	1.1
359.36435	1.1
361.38342	4.1
437.77383	1.1
448.83292	1.2
474.19507	1.2
482.39285	3.1
540.43347	1.4
557.60284	17.9
563.47888	1.3
575.41992	1.9
575.50134	8.1
575.61066	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	576.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01845	3.5
55.05503	20.0
55.92256	3.0
57.07065	5.2
60.02138	4.1
64.39269	3.2
67.05498	23.8
69.03421	7.7
69.07060	14.7
69.90752	10.2
69.91167	9.8
71.04993	7.9
79.05485	38.3
80.06258	3.6
81.03416	4.0
81.07053	49.5
83.04965	25.1
83.08605	6.4
85.02873	3.6
85.06522	10.7
88.79852	3.0
91.05467	54.2
93.07030	61.5
95.04963	21.8
95.08597	20.2
97.06525	13.0
97.10175	4.4
98.21394	6.4
99.04443	7.6
99.08083	6.8
99.99667	3.3
105.07021	100.0
107.04972	9.8
107.08585	97.9
109.06506	35.4
109.10137	20.0
111.08048	4.0
115.05444	9.9
116.06203	4.2
117.06995	34.1
118.07764	11.4
119.04936	8.2
119.08572	66.9
121.06491	16.0
121.10138	51.1
123.00138	3.4
123.08068	13.1
123.11708	15.2
125.09608	23.6
128.06212	9.8
129.06993	24.6
130.07809	7.8
131.08545	39.5
132.05681	3.3
132.09294	3.5
133.06493	12.1
133.10118	37.8
134.07246	4.6
135.08046	22.4
135.11673	8.3
137.09589	11.9
139.03922	4.1
139.11165	10.3
141.06940	9.7
142.07782	21.6
143.08539	28.9
144.09302	14.3
145.06485	11.9
145.10092	24.5
146.07243	17.0
147.04408	4.2
147.08015	23.6
147.11681	19.2
149.09615	23.7
149.13269	7.6
153.06935	4.5
155.08542	8.7
156.09308	8.5
157.10110	52.7
158.10895	8.8
159.08049	12.6
159.11685	78.7
161.09622	21.3
161.10727	3.7
163.07526	5.3
163.11140	7.9
167.08577	7.8
167.10683	9.4
168.09360	4.1
169.10117	9.9
170.10860	3.6
171.08066	11.1
171.11685	16.0
173.09630	7.2
173.13252	13.0
175.07593	4.2
175.11163	40.3
177.09099	17.0
177.12717	20.4
179.08536	5.5
179.10666	5.0
181.10101	9.8
182.08870	3.3
182.10728	4.3
183.11684	17.6
185.09592	19.2
185.13235	8.5
186.10402	11.8
187.11186	9.7
189.09138	6.0
192.07767	5.5
193.10112	4.4
194.10905	5.4
195.11673	7.5
197.09566	3.6
197.13235	7.2
199.11162	12.8
199.14789	11.1
201.12708	20.6
203.10664	23.7
203.14178	5.3
204.11391	9.5
205.08609	5.3
205.12276	5.2
207.11774	5.1
209.09694	3.4
209.13338	7.2
211.14670	3.8
213.16266	5.2
215.10687	3.6
216.55943	3.5
217.12242	8.1
217.15892	6.7
223.14799	9.5
225.16220	5.2
227.10638	4.7
227.14403	4.1
229.12300	7.9
231.10162	5.2
241.15974	4.8
245.11624	4.1
249.16443	4.2
250.11969	4.4
257.19315	3.4
259.17001	5.5
267.17538	7.7
269.15344	8.0
271.16940	5.0
285.18427	7.2
303.19675	6.8
307.20490	4.3
310.14124	7.7
325.21716	7.7
334.45859	3.5
343.22662	10.7
380.52902	3.9
437.10455	3.4
576.40283	4.4
578.10217	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	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17162	2.4
53.03934	10.1
55.01855	10.1
55.05508	56.3
57.03438	14.7
57.07061	5.2
58.93002	2.5
59.04987	5.3
61.38392	2.5
65.03926	4.8
67.05500	100.0
69.03419	6.6
69.07059	35.7
71.04978	23.0
71.08597	2.6
73.06548	2.6
79.05482	68.7
81.03417	13.5
81.07050	78.4
81.84560	2.5
83.04971	11.8
83.08609	24.1
85.02903	3.1
85.06528	9.4
86.02607	2.9
91.05473	68.7
93.07040	65.5
94.07381	3.6
95.04958	17.4
95.08600	68.2
97.06518	13.5
97.10168	23.9
99.08070	9.9
103.05484	4.1
105.07024	60.8
107.04940	10.7
107.08591	41.9
109.06525	12.8
109.10162	32.0
111.04443	3.4
111.08045	8.6
115.05450	5.1
117.07026	31.4
119.08574	48.8
121.06472	8.9
121.10137	35.3
123.08042	10.3
123.11668	5.7
125.09621	24.1
128.06218	4.9
129.06987	26.0
130.07767	4.6
131.08571	48.1
133.06467	6.8
133.10121	33.3
135.08043	15.3
135.11676	17.3
137.09598	3.7
137.13287	3.5
139.11160	4.4
141.06966	6.5
142.07753	7.1
143.08531	31.3
145.06453	4.9
145.10115	38.5
147.08047	8.2
147.11679	17.3
149.09624	10.3
149.13228	7.3
151.11194	6.7
153.09090	2.9
153.12680	3.2
154.07716	4.8
155.08513	14.5
156.09267	2.7
157.10118	28.5
159.08018	6.9
159.11658	29.7
161.09673	5.1
161.13239	11.5
163.11154	7.9
165.06978	3.7
167.08519	6.5
169.10097	19.3
171.11668	19.9
173.09573	5.0
173.11879	3.8
173.13258	12.0
175.11191	9.7
175.14726	2.6
177.12679	4.7
181.10071	8.8
183.11639	15.8
185.13268	16.3
187.11192	3.9
187.14815	7.6
189.11229	12.1
193.10057	2.5
193.12248	6.8
195.11746	8.1
195.13657	2.8
197.13220	7.9
199.11206	4.5
199.14792	8.3
207.11583	4.0
209.13255	10.0
209.96085	3.3
211.13194	4.4
211.14938	3.2
213.12883	3.4
217.15932	3.2
221.13353	5.3
223.14841	3.2
225.16437	3.8
227.12735	24.5
237.16302	4.4
247.14626	3.0
257.19073	3.9
267.15805	2.8
271.20648	3.4
273.18497	5.1
275.20035	11.6
285.22073	6.0
287.20081	5.5
291.19580	11.1
297.21933	3.7
299.20477	3.5
299.23654	12.3
301.21765	4.5
321.22208	4.2
325.21796	4.9
327.23239	3.0
339.23215	4.8
341.24585	3.4
353.24765	2.8
361.23996	3.4
415.29718	6.5
419.04205	2.9
421.25748	9.3
433.31012	19.8
451.32227	15.2
469.32974	11.7
477.28232	10.2
499.34140	5.0
515.37115	3.2
517.35132	27.1
525.35834	64.3
543.36768	68.8
557.38794	23.7
575.38538	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	2.2
52.09694	2.4
53.03938	10.6
55.01867	30.6
55.05507	62.1
57.03430	18.1
57.07056	3.9
58.01261	2.4
59.04992	4.2
59.67410	2.2
65.03923	5.9
67.05499	89.9
69.03416	11.6
69.07063	46.9
71.04977	10.0
71.08627	2.8
71.65487	2.2
71.65908	5.1
79.05046	5.6
79.05489	86.5
79.05951	4.6
81.03410	42.1
81.07053	100.0
83.01341	4.9
83.04975	25.9
83.08617	40.3
85.02896	13.6
85.06549	5.2
88.55453	2.2
91.05473	86.7
92.14322	2.4
93.06456	5.4
93.07034	79.1
95.01314	2.8
95.04955	37.5
95.08599	53.4
97.02904	7.5
97.06527	26.7
97.10156	24.0
99.08088	2.5
103.05443	4.1
105.07023	79.4
107.04949	33.7
107.08588	49.6
109.06498	24.7
109.10143	29.6
111.04462	6.8
111.08085	9.3
115.05426	6.2
117.07021	29.9
119.04981	3.1
119.08573	57.5
121.06515	12.6
121.10133	29.7
123.08017	14.6
123.11699	8.4
125.09614	26.2
128.06180	3.7
129.06963	18.6
130.07805	2.7
131.08571	35.0
133.06490	6.6
133.10117	42.9
135.08049	13.7
135.11713	20.5
137.09634	8.7
139.17067	2.4
141.06946	4.4
142.07748	4.6
143.08598	11.5
145.06458	6.7
145.10118	52.5
147.04373	4.2
147.08054	9.9
147.11659	32.7
149.09604	26.6
149.13245	7.4
151.11153	5.6
153.09135	5.0
153.12744	4.0
155.08565	8.0
157.10117	18.3
159.08070	6.9
159.11649	19.1
161.09625	7.0
161.13297	7.1
163.11180	33.3
165.09160	5.3
165.12778	6.7
169.10118	8.0
171.10208	3.7
171.11661	11.3
173.07343	2.7
173.09624	6.1
173.13237	7.8
175.11153	15.7
177.12775	5.9
181.10043	2.4
181.12250	5.3
183.11674	9.0
185.13237	2.8
189.08957	2.7
189.09644	2.6
189.11230	18.3
189.12769	3.9
191.10638	4.7
193.12196	21.9
195.11841	3.0
195.13727	2.6
197.13237	3.6
201.12749	6.3
209.11710	7.8
211.11316	6.1
211.13173	22.8
215.14334	5.9
219.13731	3.1
223.13280	9.7
227.12752	29.3
229.12337	2.8
233.15456	3.5
239.17957	3.6
245.18985	3.1
247.20595	4.2
257.19040	12.5
259.20578	4.8
267.15952	18.9
273.18445	24.8
275.20059	68.6
283.15372	35.3
285.16998	4.3
291.19504	70.1
293.20984	7.5
313.21585	7.0
315.19540	4.2
349.23724	26.6
365.23279	8.1
379.21118	3.3
441.11636	2.8
465.29831	4.1
477.28412	10.9
483.30838	5.0
501.32001	4.3
539.33655	11.8
546.76935	2.8
557.34668	52.0
575.35803	75.7
576.36047	3.1
579.30756	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	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01859	4.5
55.05502	16.7
57.03426	8.6
57.07064	9.2
61.02884	3.1
67.05499	18.5
69.03424	28.0
69.07063	100.0
70.06579	5.3
71.04991	6.4
71.64652	2.1
73.02908	5.7
79.05505	12.8
81.03412	27.5
81.07051	54.3
83.04953	5.8
83.08598	9.7
85.02901	49.1
85.06536	9.5
87.00820	21.1
91.03987	2.4
91.05459	9.4
93.07032	22.9
95.04964	8.9
95.08600	42.7
97.02876	20.9
97.06493	12.7
97.10165	3.7
99.04467	13.2
99.08086	9.6
103.05457	3.3
105.01829	10.0
105.07015	22.8
107.08590	18.6
109.02869	24.0
109.06486	3.2
109.10149	33.2
111.08058	4.9
111.11709	23.6
115.05463	3.5
117.01833	2.4
117.07020	2.6
119.08582	15.8
121.06523	2.4
121.10119	18.5
123.08101	2.2
123.11705	17.1
125.09630	2.5
127.03909	39.1
127.11205	6.3
129.01814	3.2
129.07033	3.0
131.04945	5.2
131.08542	4.0
133.06467	5.7
133.10143	9.4
135.07990	2.0
135.11685	10.3
137.05969	5.9
137.09647	3.0
137.13240	5.8
139.11169	26.1
141.06973	2.9
143.08545	2.6
145.04971	8.3
145.10121	7.2
147.02742	2.4
147.11646	5.0
149.05951	1.9
149.13257	9.6
151.07539	3.8
151.11137	2.4
151.14835	7.6
157.10178	2.8
157.12236	12.6
159.02882	9.6
159.11708	6.2
161.05966	7.8
161.13235	6.7
163.03914	6.6
163.07524	5.4
163.11151	2.0
163.14824	4.8
165.12712	3.5
169.06493	4.5
171.11780	2.5
173.13252	6.1
175.07574	4.2
175.14970	2.4
177.05591	2.3
177.12611	3.0
179.14340	6.0
185.13229	2.2
186.06793	9.4
191.17990	2.8
201.09108	10.9
215.03348	2.4
231.05002	6.5
233.09566	2.6
259.09656	2.2
261.09235	2.5
271.24210	2.0
289.25323	8.6
293.11441	2.2
295.26434	9.4
307.26263	73.8
311.04147	4.9
325.14310	19.7
325.27432	15.1
326.06671	4.4
397.27380	2.5
415.28128	3.7
475.26944	2.6
555.31470	8.3
573.32813	2.8
582.05768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.05507	27.1
55.79519	4.9
57.07060	13.6
60.81364	4.9
62.01293	5.1
67.05487	23.8
69.03418	16.6
69.06731	7.9
69.07069	100.0
71.46899	9.1
71.47233	7.7
79.05478	14.9
81.03404	17.6
81.07054	56.9
83.08604	22.3
85.02887	21.6
85.06538	9.1
87.00819	8.2
93.07024	19.3
95.04961	5.1
95.08611	70.3
97.02880	12.4
97.06515	13.8
99.04453	5.9
99.08066	21.7
107.08581	26.3
109.02891	11.0
109.06516	6.2
109.10139	29.0
111.08070	9.5
111.11697	23.1
119.08566	8.6
121.10109	20.6
123.11674	16.7
127.03941	13.4
131.08536	7.9
133.10117	7.5
135.11655	12.6
137.13271	19.8
139.11157	12.3
145.35666	6.3
147.11633	7.6
149.13242	17.9
163.03925	19.1
163.14824	6.7
177.16270	5.6
291.26736	18.4
297.27896	90.3
309.27859	53.5
327.04697	8.4
327.28830	18.6
369.09583	7.5
413.12289	30.8
512.91467	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	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01057	3.6
53.03933	13.0
55.01870	13.9
55.05502	17.0
57.03430	13.2
58.06599	10.0
61.02946	9.5
63.03952	3.9
67.05503	34.9
69.03435	46.5
69.07065	27.0
70.06582	18.1
71.04993	12.6
71.61180	3.6
71.63714	8.8
73.02897	7.3
79.05492	11.7
81.03412	39.0
81.07059	86.7
82.85122	4.6
83.04971	6.5
83.08609	9.3
84.08190	4.8
84.53346	3.8
85.02905	100.0
85.06550	35.5
86.09711	6.6
87.00845	29.8
91.05481	16.3
93.07035	38.0
95.04940	6.7
95.08608	81.1
97.02891	34.4
97.06526	22.1
97.10181	8.9
99.04459	18.9
99.08115	23.3
100.11261	7.6
105.01868	35.4
105.07052	22.6
107.08598	39.7
108.01144	4.0
109.02880	27.3
109.10146	50.5
111.08044	11.9
111.11742	6.6
113.09624	7.8
117.07001	5.6
119.08559	16.3
119.57114	4.7
121.10133	32.5
123.11722	28.2
125.09606	6.3
127.03909	69.0
127.11192	4.5
129.01857	4.4
131.08597	7.6
132.34540	4.1
133.10114	12.2
135.04422	9.4
135.11736	20.6
137.05975	11.3
137.13231	8.4
143.08513	6.9
145.02820	5.7
145.04936	15.7
145.10178	7.4
147.04393	6.3
147.11697	8.5
149.13272	35.8
149.61159	4.9
157.10110	4.9
159.02960	13.5
159.11601	7.0
161.13275	8.6
163.03911	37.7
163.14774	24.6
175.14760	5.2
177.16409	16.5
191.17964	6.8
203.17844	7.2
205.19495	4.9
231.04698	9.5
233.11760	7.2
273.25739	11.2
291.26831	37.0
300.15842	6.7
302.53094	4.3
309.27863	17.4
325.09369	4.9
327.17081	6.8
477.69299	4.6
575.21716	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.63196	1.7
55.05512	19.9
55.09489	2.2
56.05027	5.4
57.07066	7.5
60.04525	100.0
62.83124	2.1
67.05493	21.4
69.07063	20.2
70.06582	3.5
70.85334	5.8
71.08623	3.7
72.04507	5.7
74.06071	4.3
79.05490	13.4
81.03397	4.5
81.07053	24.9
82.06568	3.7
83.08601	13.5
85.10185	3.3
89.06026	5.1
90.05563	3.2
90.79138	1.9
91.05466	13.6
93.07044	21.5
94.06560	7.7
95.04962	3.3
95.07330	3.1
95.08604	19.7
96.08181	2.5
97.10167	7.0
105.07022	8.9
107.08591	5.6
109.10128	9.2
110.12949	2.0
111.08084	2.3
111.11752	2.8
119.08584	7.8
121.10146	5.1
133.08580	3.0
133.10135	5.4
135.11668	2.9
147.11726	3.1
200.09669	1.9
245.22694	5.0
250.25410	4.3
262.25281	38.8
263.23572	5.2
272.25842	6.8
280.26343	33.6
298.27478	13.2
516.47571	5.0
534.48688	17.4
552.49829	77.8
553.50159	2.9
570.50439	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	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01859	4.5
55.05502	16.7
57.03426	8.6
57.07064	9.2
61.02884	3.1
67.05499	18.5
69.03424	28.0
69.07063	100.0
70.06579	5.3
71.04991	6.4
71.64652	2.1
73.02908	5.7
79.05505	12.8
81.03412	27.5
81.07051	54.3
83.04953	5.8
83.08598	9.7
85.02901	49.1
85.06536	9.5
87.00820	21.1
91.03987	2.4
91.05459	9.4
93.07032	22.9
95.04964	8.9
95.08600	42.7
97.02876	20.9
97.06493	12.7
97.10165	3.7
99.04467	13.2
99.08086	9.6
103.05457	3.3
105.01829	10.0
105.07015	22.8
107.08590	18.6
109.02869	24.0
109.06486	3.2
109.10149	33.2
111.08058	4.9
111.11709	23.6
115.05463	3.5
117.01833	2.4
117.07020	2.6
119.08582	15.8
121.06523	2.4
121.10119	18.5
123.08101	2.2
123.11705	17.1
125.09630	2.5
127.03909	39.1
127.11205	6.3
129.01814	3.2
129.07033	3.0
131.04945	5.2
131.08542	4.0
133.06467	5.7
133.10143	9.4
135.07990	2.0
135.11685	10.3
137.05969	5.9
137.09647	3.0
137.13240	5.8
139.11169	26.1
141.06973	2.9
143.08545	2.6
145.04971	8.3
145.10121	7.2
147.02742	2.4
147.11646	5.0
149.05951	1.9
149.13257	9.6
151.07539	3.8
151.11137	2.4
151.14835	7.6
157.10178	2.8
157.12236	12.6
159.02882	9.6
159.11708	6.2
161.05966	7.8
161.13235	6.7
163.03914	6.6
163.07524	5.4
163.11151	2.0
163.14824	4.8
165.12712	3.5
169.06493	4.5
171.11780	2.5
173.13252	6.1
175.07574	4.2
175.14970	2.4
177.05591	2.3
177.12611	3.0
179.14340	6.0
185.13229	2.2
186.06793	9.4
191.17990	2.8
201.09108	10.9
215.03348	2.4
231.05002	6.5
233.09566	2.6
259.09656	2.2
261.09235	2.5
271.24210	2.0
289.25323	8.6
293.11441	2.2
295.26434	9.4
307.26263	73.8
311.04147	4.9
325.14310	19.7
325.27432	15.1
326.06671	4.4
397.27380	2.5
415.28128	3.7
475.26944	2.6
555.31470	8.3
573.32813	2.8
582.05768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74994	2.0
56.96293	3.5
56.96565	56.7
57.03408	2.4
69.03434	6.1
69.48926	4.2
69.49329	13.6
70.06583	2.5
72.06859	2.0
73.02908	2.8
81.03436	2.9
84.96036	11.1
85.02903	9.3
97.02887	4.2
98.20779	4.6
98.97581	61.4
98.98206	3.8
107.23549	2.2
110.97586	22.6
116.83608	2.4
116.98615	32.1
119.01894	2.1
127.00783	2.2
127.03937	3.7
128.98605	24.1
131.00204	2.2
134.61043	1.9
134.99669	7.6
135.04375	4.3
139.00658	4.7
140.98619	6.5
143.00180	9.6
143.01929	2.4
145.01720	3.1
145.02776	2.6
146.99657	17.7
147.04425	5.9
152.98599	2.3
153.79791	1.9
155.01868	2.6
157.01744	13.2
157.03461	3.2
158.99660	21.0
161.01231	17.6
161.02956	4.2
163.03900	24.7
167.02122	2.1
170.01367	2.6
170.99670	25.1
173.01268	4.7
173.02940	3.6
175.02792	44.1
175.04210	1.7
177.00705	19.6
179.02248	4.4
182.99619	21.6
185.02942	3.6
187.02765	3.5
189.00728	31.2
193.03847	26.7
195.01843	2.5
201.00716	90.6
201.02605	4.5
213.00757	4.4
219.01767	100.0
221.03033	2.2
224.02298	3.6
228.05721	4.1
231.01857	5.1
233.03337	2.9
237.02812	36.0
241.05716	2.6
242.03426	4.6
243.01787	45.6
243.10815	2.2
243.63081	2.0
244.99776	8.3
245.03105	2.9
245.05142	5.5
247.05026	2.5
249.02873	4.4
261.02805	67.3
263.00757	35.3
269.03119	2.1
271.04596	2.7
273.02789	14.6
279.03900	36.0
281.01666	2.6
284.04639	2.5
286.98059	3.8
287.01038	13.4
287.03757	2.7
291.03961	16.6
302.05484	2.3
303.03760	10.3
305.01797	10.3
306.16684	2.3
317.01907	6.4
321.04932	30.9
327.04050	2.8
333.04895	6.7
345.04965	20.8
347.02945	6.5
351.06168	8.1
363.05902	13.8
377.07068	3.0
381.07257	8.6
389.03848	21.9
395.11862	7.1
399.08078	8.3
407.04947	32.6
507.10010	5.3
525.11426	18.0
551.09180	5.0
569.10120	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.3
54.17617	0.3
57.07076	7.2
58.06602	2.1
60.04519	0.3
65.03938	0.5
67.05489	0.6
68.05048	0.3
69.07076	0.6
70.06589	17.5
71.04864	0.9
71.08624	2.7
72.08125	0.4
79.05488	0.9
81.03428	0.4
81.07030	0.9
85.10171	1.0
88.07627	22.5
91.05490	0.7
92.59659	0.3
93.07046	0.3
95.04945	0.8
95.08659	0.4
97.06548	0.3
102.09174	16.6
105.03386	16.7
105.07024	0.7
107.08582	0.5
119.08551	0.5
120.74457	0.3
121.09071	0.3
128.36317	0.4
131.04944	0.9
143.43118	0.4
147.04419	0.5
149.02351	11.8
149.05974	67.0
150.06284	0.8
153.06990	0.5
175.03897	0.7
180.04169	0.4
181.06514	2.8
193.04950	11.0
193.06726	0.6
212.23792	0.9
219.06538	1.4
250.46649	0.4
256.26343	53.9
257.26804	0.7
297.07556	14.0
341.10178	59.5
342.10538	0.7
472.35172	1.1
552.33435	0.4
570.34210	100.0
571.34369	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	567.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35197	3.5
52.81065	3.7
55.05496	15.0
57.07064	12.0
65.03940	5.1
67.05502	32.5
69.07060	19.8
70.30155	18.9
71.08620	5.6
71.26734	3.8
74.02760	3.8
79.05488	36.8
81.07052	50.1
83.08615	8.4
85.06526	10.3
85.10133	3.9
91.05470	39.2
91.86373	4.0
93.07045	52.9
95.04955	13.3
95.08601	41.4
97.06529	4.9
97.10204	4.1
98.21435	4.3
103.05441	7.5
105.07026	84.6
107.08590	52.5
109.06505	14.3
109.10149	42.9
117.07011	21.5
119.08586	100.0
121.10140	60.6
123.08025	10.0
123.11705	19.6
128.06184	8.9
129.06992	17.3
130.07779	7.0
131.08565	44.5
133.10118	60.9
135.11674	39.3
141.06990	4.9
142.07797	11.1
143.08574	24.7
144.09326	8.9
145.09052	5.1
145.10127	74.9
147.07983	4.7
147.11696	25.8
149.13235	8.3
155.08542	17.3
156.09328	12.8
157.10138	51.9
158.10738	8.2
159.08057	5.0
159.11694	47.1
161.13290	26.5
163.11198	6.0
165.06979	4.4
165.09074	5.1
167.08537	6.3
169.08887	4.1
169.10114	24.0
170.10861	5.8
171.11691	31.1
173.13293	24.7
175.11086	6.2
175.14815	17.8
179.08505	6.4
180.09328	5.4
181.10115	13.4
182.10861	5.9
183.11700	23.1
185.13213	17.9
187.14763	13.9
189.69092	3.7
191.14302	5.9
193.10059	8.4
194.10876	9.1
195.11702	19.1
197.13252	15.2
199.14731	9.6
201.16388	9.5
203.14384	8.0
207.11694	15.3
208.12462	7.0
209.13268	16.1
211.14812	16.6
219.11641	7.5
221.13231	9.2
221.15341	5.3
223.14777	19.1
225.16307	13.1
227.17953	4.5
233.13130	5.8
235.14813	7.7
247.15047	8.3
249.16301	6.4
251.17967	7.8
253.19585	4.6
261.16296	5.0
263.17871	5.2
266.19992	4.2
267.21176	5.3
279.20853	6.1
289.19437	6.5
343.23904	3.9
345.25748	16.3
346.26526	10.8
463.24774	6.4
475.74799	4.5
549.41028	11.5
567.25934	39.4
567.41846	44.1
568.25909	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45274	1.3
53.03938	2.3
55.05508	13.3
55.27656	1.5
57.07079	8.5
59.04982	2.3
65.03947	3.4
67.05164	1.5
67.05499	20.7
69.03397	1.8
69.07054	14.0
70.06564	2.9
71.43552	3.0
75.03342	1.2
79.05482	27.0
80.06250	4.9
81.07047	34.0
83.04987	2.7
83.08605	4.3
85.06522	4.5
88.07625	3.5
91.05464	42.9
92.06236	1.7
93.07034	58.2
94.07835	2.5
95.04963	41.6
95.08012	2.6
95.08598	27.9
97.06548	2.8
102.09178	2.4
103.05434	4.0
105.07018	94.2
106.07783	5.2
107.08586	48.2
108.09390	3.1
109.06485	6.2
109.10149	19.6
111.08064	2.2
112.77776	1.8
114.35533	1.6
115.05471	4.8
116.06216	2.5
117.07005	25.5
118.07782	3.4
119.08571	100.0
120.09338	6.0
121.06519	2.9
121.10130	33.5
123.08057	16.0
123.11684	6.8
125.09624	1.9
128.06227	7.7
129.06993	20.5
130.07799	10.6
131.08562	53.4
132.09338	10.3
133.06493	1.7
133.10112	59.2
134.10941	7.7
135.08044	6.9
135.11681	18.5
137.09595	6.1
138.10414	8.0
139.11157	3.1
141.06931	7.1
142.07765	23.0
143.08540	45.8
144.09332	14.7
145.10110	89.3
146.10828	5.0
147.07985	2.1
147.11667	23.5
148.41455	1.5
149.09592	5.7
149.13234	2.9
150.97609	1.4
153.06984	3.4
154.07704	3.6
155.08516	17.5
156.09335	18.9
157.10112	54.0
158.10892	11.8
159.08032	1.7
159.10420	2.9
159.11679	44.4
160.12416	2.6
161.09581	6.2
161.13278	9.9
163.11211	2.6
165.06967	5.6
165.12842	2.3
166.07721	3.9
167.08533	9.5
168.09297	6.0
169.10109	26.0
170.10921	9.2
171.11676	34.9
172.12439	6.7
173.13242	28.1
174.13972	2.4
175.11192	2.2
175.14818	20.2
177.12715	5.6
179.08646	8.6
180.09219	3.9
181.10112	16.6
182.10881	8.1
183.11678	29.7
184.12401	4.7
185.13240	23.5
186.14001	7.5
187.14764	13.1
189.12717	5.5
189.16351	1.6
191.14302	9.2
192.09341	2.9
193.10121	8.4
194.10916	10.6
195.11668	19.6
196.12453	8.5
197.13257	28.8
198.13931	6.1
199.14851	12.0
201.12637	3.3
201.16362	8.2
203.14342	2.9
204.15057	1.6
205.10120	1.6
205.15771	2.2
206.10922	4.2
207.11635	10.7
208.12447	6.5
209.13231	22.7
210.13977	3.1
211.14764	18.7
213.16364	5.5
215.14305	2.0
217.10085	1.5
217.15843	5.5
219.11615	3.2
219.17470	4.2
220.12483	3.8
221.13249	10.2
222.13823	2.9
223.14781	10.8
224.15508	3.6
225.16338	8.9
226.17134	3.2
227.17900	2.0
229.15900	2.8
229.54742	1.5
231.11720	2.3
231.17363	3.4
233.13213	3.6
235.14758	7.2
236.15492	2.1
237.16386	9.1
239.17845	5.4
241.19534	3.6
247.14726	4.3
249.16293	4.9
251.17989	5.0
253.19518	2.9
255.17615	2.0
257.18939	2.0
259.14862	2.7
259.20566	4.7
261.16348	4.3
263.18018	4.5
265.19458	5.1
270.19632	2.2
272.21225	3.5
273.16397	2.5
275.17960	3.6
277.19446	4.8
281.18933	2.2
283.20337	3.6
283.26202	3.2
284.29388	3.5
285.22055	2.7
287.17789	1.9
291.21051	2.0
297.21988	2.8
298.22943	1.6
305.22684	2.7
311.29404	3.4
312.32358	1.9
323.23599	6.7
324.24478	2.0
331.24326	2.6
337.25137	3.2
338.26022	43.7
349.25232	3.2
362.25842	1.8
415.29932	1.9
420.30096	2.5
430.32269	15.5
458.35590	2.7
476.36511	17.3
489.36975	2.3
568.42645	24.8
568.56219	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	567.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21279	3.1
55.05499	14.0
66.60148	3.3
67.05494	19.0
69.03432	3.4
69.07061	9.1
75.75600	3.1
78.44096	3.7
79.05476	19.8
81.07056	38.4
85.06532	10.3
91.05473	37.5
93.07029	38.5
95.05018	8.1
95.08609	34.5
97.10158	4.7
105.07021	60.7
107.08589	60.7
109.10166	13.3
115.05446	5.4
115.33461	3.9
117.07005	19.9
119.08582	40.0
121.10139	26.8
128.06221	12.5
128.42654	3.2
129.06998	11.0
130.07825	5.6
131.08557	39.7
133.10091	30.5
135.11710	13.2
141.07025	8.7
142.07764	19.1
143.08539	50.1
144.09323	5.0
145.06468	6.0
145.10118	65.1
147.08089	5.0
147.11681	14.0
148.81200	3.5
149.59222	3.4
155.08580	16.8
156.09380	6.8
157.10124	54.5
159.08055	5.6
159.11684	54.8
161.09573	4.7
161.13252	4.1
165.06975	3.9
167.08580	6.1
168.09361	9.5
169.10141	20.9
171.08025	3.9
171.11673	24.0
173.06018	5.9
173.09624	4.4
173.13240	21.0
175.11125	8.5
175.14891	4.7
180.09317	4.4
181.10101	9.6
182.10945	4.6
183.11714	41.3
185.13300	12.9
187.07568	5.7
187.11195	34.0
187.14832	6.5
193.10295	4.7
194.10896	3.9
195.11644	8.0
197.13271	12.7
199.11020	4.3
199.14809	40.9
201.12733	13.9
201.16385	100.0
209.13261	14.1
211.11237	7.6
211.14839	7.4
213.12843	6.9
213.16383	15.3
215.10730	5.5
215.14307	4.0
221.13271	6.2
225.16499	5.6
227.10760	6.1
229.12268	49.4
229.92488	3.9
231.13840	4.0
233.13408	3.3
235.14810	7.2
237.16467	7.1
247.13411	15.3
255.17479	3.7
259.17096	5.3
261.16162	4.6
261.18524	15.4
271.17059	6.0
273.18567	3.9
274.70825	3.4
275.17978	4.0
301.19641	3.4
331.23984	4.1
342.67535	3.5
343.24295	4.2
383.27469	8.7
401.28339	19.1
405.28223	4.4
419.29428	7.0
428.85062	4.2
429.27835	26.7
447.28845	22.2
461.30096	6.8
471.28998	7.1
489.30066	18.7
507.30853	12.3
567.32245	14.1
567.41272	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	567.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05506	6.4
57.07053	2.5
67.05502	19.6
69.03422	3.2
69.07078	8.7
69.46812	15.7
71.04990	1.7
79.05494	10.7
81.03417	7.7
81.07057	25.9
81.10440	1.6
83.04986	2.0
83.08597	2.7
85.06571	3.2
91.05481	16.1
93.07040	22.2
95.04971	4.7
95.08605	17.4
97.02875	2.3
98.97459	1.7
105.07018	23.0
107.08582	34.1
109.06525	2.3
109.10144	14.0
117.07018	12.4
119.08577	24.9
121.06567	2.8
121.10155	13.2
123.11761	3.9
125.09587	3.2
128.06255	4.1
129.07011	8.6
130.07806	3.1
131.08568	23.8
133.10127	18.5
135.11665	4.3
141.06944	2.1
142.07811	5.5
143.08557	17.3
143.86934	2.1
144.09361	4.1
145.06497	2.9
145.10117	50.6
147.11685	7.7
149.13269	2.7
154.62604	1.9
155.08649	8.5
156.09325	3.8
157.10126	24.4
159.08043	2.3
159.11688	42.7
161.09550	2.6
161.13310	3.0
166.07581	1.8
167.08588	2.9
168.09369	5.1
169.10126	8.5
171.11659	12.0
173.05956	3.7
173.11850	2.7
173.13220	12.2
175.11235	4.2
175.14720	2.9
177.08998	2.0
177.12756	2.3
181.10167	5.5
183.11670	14.8
185.09575	1.9
185.13290	5.7
187.07538	4.8
187.11188	11.2
187.14795	1.8
193.10175	2.2
195.11722	6.1
197.13297	5.6
199.11153	3.8
199.14790	12.3
200.15446	2.4
201.12741	6.9
201.16386	100.0
202.16757	2.1
207.11734	2.4
209.13312	4.6
211.11116	4.8
211.14783	3.6
211.82376	1.9
213.16444	8.6
215.10706	2.4
218.78072	2.0
221.13264	2.6
227.10638	19.3
229.12228	47.4
233.13217	2.5
237.16560	2.2
239.17863	2.1
247.12958	10.2
261.16156	2.2
261.18439	11.3
263.18005	2.0
271.16925	2.8
275.17700	2.3
275.66132	1.8
311.63376	2.0
343.24237	3.6
385.29108	2.5
389.24545	4.0
401.28473	10.7
423.27585	3.7
429.27945	14.9
444.55676	1.8
447.28842	9.9
465.29840	2.0
489.29819	6.3
507.31204	8.4
567.23602	2.4
567.31750	9.8
567.41187	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	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
53.78673	3.6
55.05503	14.0
57.07063	6.8
57.11357	4.1
67.05508	31.3
69.07059	20.0
73.41526	3.9
74.82992	3.7
79.05483	20.9
81.07047	29.8
83.08606	6.7
91.05473	33.0
92.45544	3.9
93.07022	36.8
95.05002	9.4
95.08596	29.8
97.06500	3.7
103.05425	4.3
105.07024	71.9
107.08579	40.3
109.06506	6.7
109.10155	40.9
115.05439	9.2
117.07012	12.4
119.07784	6.2
119.08572	100.0
121.06441	5.7
121.10134	51.3
123.08038	6.5
123.11703	10.9
128.06204	6.8
129.06978	9.1
130.07811	4.9
131.08546	27.2
133.10121	47.1
135.08070	4.7
135.11678	26.3
141.07022	8.7
142.07768	16.3
143.08551	32.9
144.15163	3.9
145.10117	45.7
147.11670	16.5
155.08528	14.0
156.09334	14.6
157.10092	46.4
158.10786	4.9
159.08032	5.7
159.11655	27.3
161.09558	4.0
161.13274	9.4
167.08525	11.1
167.10678	9.1
168.09351	5.1
169.10121	20.6
171.11693	18.4
173.09627	6.0
173.13234	16.4
175.11252	5.0
175.14764	22.2
179.08502	7.2
180.09412	4.1
181.10136	19.0
182.10875	8.5
183.11632	20.9
185.09688	6.5
185.13243	13.9
187.11092	4.4
187.14790	11.3
189.12808	5.6
190.52379	4.0
192.09302	6.1
193.10129	13.6
194.10822	5.6
195.11646	20.1
196.12352	4.8
197.13184	27.9
199.11099	13.0
199.14743	8.9
201.12671	4.4
201.16293	10.7
207.11664	9.6
208.12460	6.9
209.13252	15.2
211.11076	5.6
211.14810	10.8
213.12811	4.8
213.16365	8.8
215.14250	5.7
219.11751	4.6
221.13303	5.4
222.14021	5.5
223.14795	13.7
225.12717	8.2
225.16425	4.9
229.74948	5.0
235.14761	10.5
237.16301	5.3
239.17918	6.5
245.13216	5.9
247.14674	5.2
249.16187	5.7
251.14211	4.7
261.16306	5.0
273.18558	26.6
279.21078	7.7
289.19620	4.5
298.13806	4.1
299.20145	36.8
309.81506	4.2
319.24075	4.9
375.23148	7.3
440.80167	3.8
458.59445	3.9
473.34106	11.0
547.39380	7.4
565.27386	5.8
565.40405	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	565.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01871	4.9
55.05505	15.3
57.03428	6.7
57.07078	23.6
65.03922	3.0
67.05499	42.0
69.03416	6.5
69.07081	23.3
71.01369	3.7
71.08624	12.7
71.64165	2.1
71.64616	3.2
79.05489	27.6
81.03410	21.0
81.07056	41.9
83.04987	7.6
83.08617	11.3
85.06540	3.5
85.10181	7.2
91.05476	39.1
91.06020	3.3
93.07043	40.6
95.04373	3.4
95.04965	46.1
95.08600	38.9
97.06537	7.0
97.10171	9.3
103.29398	2.2
105.07030	49.2
107.04952	9.8
107.08590	33.2
109.02862	7.7
109.06512	9.2
109.10159	20.0
111.08055	4.6
114.70556	2.2
115.05455	5.3
117.07028	15.6
119.08576	56.4
121.06537	6.7
121.10139	40.2
123.04431	47.4
123.08080	9.4
123.11696	7.4
125.09636	3.8
128.06235	6.5
129.06998	15.7
130.07747	5.3
131.08559	23.4
133.06474	2.8
133.10132	40.9
135.08069	6.2
135.11707	20.6
137.05823	2.5
137.09631	5.2
141.06999	5.0
142.07809	9.5
143.08571	27.2
144.09315	2.8
145.06531	2.2
145.10124	42.0
147.08083	10.9
147.11693	14.2
149.09615	8.2
149.13248	3.0
149.88980	2.4
151.07561	3.2
151.11221	3.5
153.06996	3.3
153.09125	5.3
155.08543	13.7
156.09377	7.9
157.10123	31.1
158.10883	6.1
159.08054	3.6
159.11697	15.6
161.09639	5.7
161.13249	5.4
163.11177	14.5
165.07022	3.6
165.09128	6.2
165.12930	2.6
167.08553	7.6
167.10638	10.9
169.10152	16.9
170.10945	4.1
171.11697	20.9
173.09671	6.1
173.13243	12.7
175.14853	6.4
179.08592	5.5
180.09338	4.4
181.10159	11.2
181.12241	3.0
182.10916	2.8
183.11667	14.4
184.12575	3.5
185.13249	11.7
187.14862	8.2
189.12782	13.1
191.10675	3.8
192.09280	4.1
193.10182	9.0
194.10971	5.2
195.11710	14.4
196.12494	3.1
197.13194	13.8
199.11182	4.2
199.14900	6.9
203.14383	3.5
204.13290	2.4
205.10165	3.4
206.10890	5.5
207.11739	7.8
207.13872	11.1
208.12515	5.4
209.13243	17.9
211.14880	9.0
213.16405	2.8
215.14339	5.6
217.12329	6.0
218.11055	2.8
219.11792	4.8
220.12544	4.1
221.13309	10.7
221.15416	14.8
223.14838	8.5
225.16406	3.0
231.11829	4.2
233.13293	7.3
233.15382	4.8
234.14046	3.3
235.13181	58.8
237.16351	6.7
239.17928	5.6
239.23817	3.7
243.11926	3.2
245.13300	5.0
247.14822	5.2
248.15663	2.9
249.16487	6.4
251.18135	4.7
253.19547	4.2
257.13306	2.4
257.54941	2.4
259.14935	3.8
261.16467	4.6
263.18042	5.5
265.19513	5.4
273.16306	4.2
275.18008	5.2
277.19467	5.6
289.19461	4.4
295.20740	4.4
299.20261	2.8
301.19409	3.0
309.16956	35.0
313.27396	58.7
313.31158	2.8
319.67719	2.3
345.25760	3.9
369.25824	2.6
385.28854	3.5
416.80026	2.3
468.40707	2.5
473.34241	6.9
547.39795	49.3
565.40381	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	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.05503	10.1
57.07075	7.0
59.04976	2.0
59.58060	1.6
67.05498	16.8
69.03422	4.3
69.07076	11.6
70.19907	1.6
70.20247	7.4
79.05490	19.0
81.07054	25.3
83.04963	2.7
83.08607	6.1
85.06537	3.8
91.05474	28.5
93.07043	30.2
95.04961	8.7
95.08601	20.9
97.06534	3.6
98.20686	1.6
103.05461	3.1
105.07024	57.2
107.08597	32.0
107.09293	3.0
108.42787	1.4
109.06513	6.4
109.10144	21.6
111.11763	1.4
115.05466	4.4
117.07001	12.0
119.08573	60.5
121.06479	3.3
121.10136	41.5
123.08057	6.9
123.11704	4.1
125.05923	1.7
125.09562	2.2
128.06226	8.1
129.06990	11.9
130.07785	5.3
131.08571	24.6
133.10115	33.1
135.08035	5.2
135.11679	13.0
137.09608	6.8
141.06979	6.6
142.07773	13.5
143.08553	25.4
144.09282	4.0
145.10110	38.0
147.08069	7.8
147.11702	13.0
149.09653	6.1
149.13274	2.0
151.07547	4.4
151.11134	1.6
153.07028	4.7
154.07751	2.7
155.08559	11.8
156.09346	11.1
157.10121	38.3
158.10931	6.7
159.08093	2.9
159.11685	19.8
161.09628	3.4
161.13284	4.7
163.11203	4.7
165.07019	7.2
165.09138	9.3
166.07829	3.3
167.08578	7.9
167.10648	11.3
168.09375	5.3
169.10120	23.9
170.10915	7.0
171.11684	20.3
173.09619	3.7
173.13234	18.7
175.11310	2.4
175.14828	5.6
179.08533	10.6
180.09377	5.7
181.10132	11.6
181.12230	3.2
182.10921	5.5
183.11700	18.6
184.12592	3.8
185.13257	16.0
187.11104	2.3
187.14748	7.3
189.12733	3.9
191.06873	1.8
191.08488	2.0
191.14285	2.2
192.09317	2.9
193.10092	11.6
194.10863	9.5
195.11708	19.1
195.13411	2.5
196.12494	5.1
197.13251	16.8
199.14847	10.2
201.16397	5.3
203.14330	5.3
205.10153	3.7
206.10872	8.3
207.11751	13.0
207.13626	2.5
208.12383	7.7
209.13268	20.7
210.14070	2.7
211.14799	9.9
213.16359	3.1
215.14314	2.4
215.56726	1.7
216.09370	1.6
217.10179	3.0
217.15892	2.3
218.11049	2.1
219.11691	8.5
220.12494	4.5
221.13249	15.9
221.15405	17.2
222.14066	3.2
223.14859	10.5
225.12791	2.4
225.16364	8.3
227.14285	1.6
227.18022	1.9
229.10188	3.0
231.11703	5.5
232.12502	3.7
233.13217	6.9
233.15424	5.5
234.14030	4.3
235.14824	10.0
237.16368	8.0
239.18016	5.5
241.19456	2.3
243.11720	3.8
244.12578	3.4
245.13295	5.5
246.14037	5.6
247.14705	7.4
248.15602	3.3
249.16499	4.3
251.17999	6.9
253.19577	3.7
257.13287	5.7
258.13986	4.2
259.14780	4.9
260.15686	2.0
261.16385	5.6
263.17880	7.0
265.19562	7.1
267.17242	2.1
271.14908	3.3
272.15656	1.9
273.16367	4.5
274.17117	3.2
275.18015	4.7
277.19489	6.0
279.21036	3.3
283.20599	2.4
287.18008	4.0
289.19537	5.2
291.17569	2.3
291.21094	1.9
295.20639	2.3
299.18051	2.1
301.19232	3.2
309.16449	1.8
311.17807	2.0
315.21106	2.9
317.22711	3.5
319.24347	1.8
329.22729	2.3
331.24133	4.0
335.23621	1.9
343.24356	3.0
347.23615	3.7
357.25769	3.9
365.24908	2.8
375.27194	1.5
385.28854	2.5
425.28116	1.9
473.34225	7.3
491.33282	2.2
509.34198	4.1
529.77094	2.1
547.39252	14.7
565.40381	100.0
566.41327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1186
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	1.4
57.03425	0.8
61.02932	0.8
65.03934	0.2
67.01850	0.2
68.99781	0.7
69.03067	0.3
69.03426	5.4
69.40932	1.6
71.01353	0.2
71.04989	0.8
73.02911	1.2
73.09869	0.1
81.03413	6.3
83.01326	0.2
85.02902	8.4
87.00826	4.1
91.03925	0.2
93.03390	0.2
95.04967	0.5
97.02273	0.2
97.02891	2.9
97.06516	0.4
99.04458	2.0
105.01856	1.9
109.02875	4.8
111.04413	0.2
115.03899	0.3
117.01836	0.9
121.02862	0.7
123.04414	1.2
124.01579	0.4
125.02330	0.6
127.03912	6.8
129.01863	0.5
137.02341	2.0
137.05968	0.2
141.05470	0.2
145.04929	1.8
147.02904	0.5
149.02333	0.4
150.02985	0.2
151.03932	1.1
159.02878	2.9
163.03926	0.8
167.03400	3.0
167.04732	0.3
167.07071	0.7
167.08461	0.2
179.03360	1.6
180.04221	0.3
183.04480	0.2
184.05136	0.2
187.07570	0.3
197.04446	0.7
200.04651	0.3
215.06993	1.4
228.04184	0.6
231.05009	0.6
233.08110	0.3
243.06538	3.4
256.03708	0.3
261.07608	0.7
271.06024	1.6
274.04715	2.9
288.06290	0.6
299.05573	0.7
302.04236	2.3
317.06543	100.0
318.06866	1.5
373.16458	0.3
488.47705	0.2
510.75110	0.2
519.79156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
52.72010	0.6
52.72300	0.6
53.77939	0.6
54.11366	0.5
55.01854	1.1
57.03429	5.0
61.02909	0.7
67.05475	0.8
69.03426	4.7
69.07050	0.9
69.68300	5.4
70.06590	1.0
71.01325	0.7
71.04990	25.5
73.02897	2.9
75.04473	1.3
79.07224	0.7
81.03409	0.9
81.07018	1.3
83.04977	1.9
85.02898	31.5
85.06525	2.1
94.74018	0.7
95.04964	0.9
95.08627	1.2
97.02905	4.1
97.03480	0.6
99.04470	1.5
111.04434	1.2
115.03913	2.7
121.02847	4.3
123.11660	0.9
127.03834	0.8
129.05463	7.0
145.04964	1.0
146.51921	0.8
147.04279	1.0
147.06493	2.8
153.01810	2.5
165.01816	1.1
167.07072	0.8
183.02986	1.2
213.05530	1.4
225.07590	0.9
232.98268	0.7
258.05423	1.4
263.05530	0.9
281.24902	1.0
287.05478	100.0
288.05786	2.0
299.05444	6.0
299.25684	0.8
300.06351	0.9
311.05499	1.4
313.06848	1.4
325.07065	2.1
329.06601	6.2
337.06946	1.8
341.06500	1.3
353.06580	6.1
358.33597	0.8
359.07675	0.9
365.06503	2.4
383.07632	7.4
401.08548	3.6
419.09692	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	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05515	9.7
57.07066	7.3
65.03931	2.6
66.12609	1.7
67.05505	26.2
69.07069	21.5
71.65351	2.6
72.22440	1.9
79.05488	17.3
81.07060	38.2
83.08617	8.0
85.06541	2.9
91.04948	3.1
91.05484	32.0
93.07046	40.4
95.04966	6.0
95.08605	37.8
97.06516	2.7
103.05479	3.0
105.07031	65.0
107.04942	2.8
107.08600	49.4
109.06523	6.3
109.09452	3.3
109.10153	45.1
115.05470	3.3
117.07026	14.2
119.08582	100.0
121.06538	2.8
121.09310	4.5
121.10149	65.9
122.20777	2.1
123.08060	5.9
123.11706	17.8
128.06224	8.3
129.07005	14.1
130.07762	6.4
131.08577	34.1
133.10135	44.8
135.08055	4.8
135.11707	31.6
137.09616	2.9
139.11211	3.0
141.06987	8.7
142.07788	18.4
143.08568	30.4
144.09322	7.3
145.09030	4.0
145.10132	51.6
145.11282	3.2
147.08029	4.4
147.11697	23.1
149.09567	4.8
149.13277	3.0
154.07782	5.2
155.08585	13.3
156.09380	11.7
157.08937	4.0
157.10136	54.9
158.10880	5.2
159.08101	5.5
159.11699	27.1
161.09657	4.9
161.13266	12.4
165.06978	5.2
166.07710	3.1
167.08548	10.0
167.10664	10.1
168.09357	5.5
169.10147	30.0
170.10924	7.1
170.43600	2.0
171.11691	24.6
172.12494	2.8
173.09612	7.7
173.13274	21.0
175.11275	5.0
175.14832	39.1
179.08568	7.3
180.09279	3.7
181.10138	14.2
182.10938	10.4
183.11707	23.7
184.12521	3.0
185.09572	4.7
185.13260	13.7
187.11148	5.1
187.14838	12.5
189.12723	2.9
189.16470	3.2
192.09344	2.2
193.10127	11.4
194.10884	5.9
195.11717	20.0
196.12509	4.4
197.13278	33.6
198.13951	3.0
199.11176	11.5
199.14804	4.1
201.12714	3.0
201.16388	9.3
205.10191	4.3
206.10893	6.3
207.11673	12.7
208.12462	5.3
209.09604	2.0
209.13269	17.3
210.14195	3.4
211.11200	7.0
211.14815	7.5
213.12704	3.6
213.16422	8.3
215.14352	6.3
219.11775	3.8
220.12392	2.9
221.13174	11.2
222.13994	5.3
223.11296	2.8
223.14799	18.4
225.12732	7.2
225.16353	4.5
227.14478	2.8
227.18031	3.2
230.10954	2.4
231.11725	5.4
232.12462	3.6
233.13193	7.3
233.15385	4.8
234.13751	1.9
235.11174	2.6
235.14844	6.2
237.16425	6.1
238.17184	3.2
239.17999	4.3
241.15848	3.5
244.12485	3.8
245.13258	4.0
246.13928	2.6
247.14835	6.7
248.15599	2.0
249.16385	4.9
251.14351	4.2
251.17935	3.8
253.19531	3.4
255.17363	5.2
257.13153	2.4
259.14786	4.0
261.16327	5.6
263.17999	5.5
269.18906	2.1
273.15903	3.6
273.18536	45.6
275.17941	5.2
277.15842	3.7
279.21143	11.7
281.18942	2.9
289.15768	2.5
291.20950	3.8
299.17145	3.4
299.20157	55.4
313.21631	2.7
315.20929	2.3
319.24075	3.4
325.21344	2.9
333.22144	2.8
343.24197	4.9
345.25864	4.2
359.24127	2.4
363.23019	5.3
365.24084	2.5
376.20697	2.4
377.24643	3.0
389.24924	5.4
443.29385	5.6
444.29868	3.0
473.34186	10.9
509.33926	5.0
547.39288	3.8
565.40356	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30375	6.1
53.03935	12.6
53.63973	5.7
55.01848	8.1
55.05510	31.1
57.03437	23.5
61.02913	19.7
64.88609	5.4
65.75497	5.5
67.05500	81.8
69.03410	13.1
69.07059	28.0
70.29586	22.9
71.05007	8.7
79.05491	92.1
81.03440	10.3
81.07055	100.0
83.04983	11.7
83.08603	13.9
85.02905	24.3
85.06554	8.9
91.05480	77.4
93.07043	98.9
95.04973	25.1
95.08611	49.2
97.02898	14.6
97.06515	13.2
97.10151	7.3
99.08085	10.8
103.03976	6.6
105.07033	68.6
105.36652	6.2
107.08575	55.6
109.02904	8.1
109.06543	7.5
109.10180	12.7
117.07016	15.0
119.08579	54.9
121.06529	7.6
121.10158	34.9
123.08083	11.5
123.11726	6.7
129.06998	10.5
131.08562	28.5
131.20766	6.0
133.10118	47.0
135.11693	36.6
143.08578	14.5
145.10146	19.5
147.11693	37.2
149.09604	9.3
149.13281	35.8
151.11177	5.9
157.10121	10.5
159.11670	33.0
161.13231	19.9
163.11162	6.6
169.29584	6.2
171.11662	10.2
177.12746	6.6
195.13828	18.1
226.68942	5.6
229.19142	7.0
241.19606	18.3
259.20645	46.0
269.17480	75.7
275.19931	8.7
281.18051	5.9
333.24268	9.0
349.23572	10.8
351.25235	56.7
440.56451	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.4
55.01872	13.2
55.05509	35.6
57.03437	23.9
61.02908	7.9
67.05502	100.0
69.03422	15.6
69.07070	71.0
70.06577	14.4
71.65034	11.8
79.05482	72.3
81.03426	37.3
81.07054	83.0
83.04980	35.9
83.08624	29.6
85.02910	34.1
91.05491	62.2
93.07035	47.2
95.01414	8.4
95.04977	27.1
95.08624	37.9
97.02883	13.1
97.06527	97.1
97.10173	19.5
105.07002	53.8
107.04968	23.8
107.08576	57.3
109.06542	10.9
109.10167	32.5
111.08025	8.3
117.06970	11.5
119.08591	30.1
121.10162	23.3
125.09616	22.4
129.07013	12.5
131.08577	33.3
133.10138	30.5
135.11728	19.9
137.09644	8.3
143.08545	8.5
145.10141	25.3
147.11732	15.7
149.09642	14.6
157.10143	18.0
159.11674	18.4
161.02406	9.8
161.05943	8.4
161.20897	9.7
163.03925	27.9
163.11177	16.4
167.07051	11.5
173.06128	11.3
175.11107	8.7
177.12717	21.4
189.11047	8.2
193.12195	10.0
211.07605	11.2
211.13237	10.9
213.09161	21.6
227.12758	12.0
229.14529	16.7
241.08530	17.4
251.16455	12.3
255.15939	27.7
257.19095	16.6
259.09726	29.5
269.17520	56.1
271.31345	8.6
275.20074	38.6
311.12781	11.5
327.15970	10.7
337.14276	23.9
349.23672	77.8
355.15372	69.8
373.16483	14.7
469.39642	9.0
511.29007	12.7
557.80408	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	562.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
53.73989	3.3
55.01864	5.4
55.05505	18.0
57.03433	15.2
59.33802	2.7
61.66420	2.7
67.05505	31.5
69.03422	5.3
69.07066	7.5
70.55957	4.3
70.56305	10.1
79.05485	22.4
81.03416	89.7
81.07053	26.0
83.04971	15.1
83.08632	22.5
85.02900	13.1
90.98779	2.9
91.05485	36.9
93.07056	15.0
95.04973	22.2
95.08588	10.4
97.06521	6.3
97.10145	7.0
98.21472	3.9
105.07050	23.6
107.04932	9.3
107.08582	11.3
109.06492	5.9
109.10161	9.4
111.08089	12.1
117.06980	4.0
119.08591	22.9
121.06494	5.9
121.10118	9.1
123.08000	3.8
125.09645	3.7
129.07001	13.2
131.08542	11.6
133.06488	3.9
133.10106	10.0
135.11694	3.9
141.92059	3.4
147.07997	6.7
147.11676	9.8
149.09622	7.7
157.10139	12.7
163.11140	3.2
175.11172	13.0
177.65430	3.5
179.46307	3.6
193.12250	33.0
211.13318	18.7
212.19557	3.4
267.15921	100.0
273.14862	4.7
278.64624	3.1
283.15201	3.8
285.16992	16.5
291.12787	3.2
349.21768	4.8
365.23169	4.3
367.22610	10.2
385.23853	16.1
397.38980	3.1
403.24603	4.8
433.25681	6.1
441.26251	5.4
459.27365	45.4
477.28445	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	563.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
60.94650	0.4
67.05481	1.0
70.06577	0.8
71.62550	0.5
71.62908	0.6
77.03926	0.7
78.04694	0.8
79.05470	1.2
81.07072	0.6
83.04961	0.6
84.08128	0.5
85.02910	0.8
86.09691	1.0
89.03893	1.3
90.04655	0.5
91.05479	2.7
93.07044	0.8
94.73164	0.4
95.04945	1.1
95.06070	0.8
97.02872	0.7
97.06518	1.3
99.50919	0.4
102.04668	0.5
103.05460	6.6
104.06244	3.0
105.03372	1.0
105.07011	2.3
107.04922	1.5
109.07619	0.5
115.05412	0.7
117.03390	1.5
117.06980	0.9
118.04163	2.1
119.04909	1.2
121.06506	1.3
123.04382	0.8
125.07138	2.3
130.04161	1.1
131.04927	21.1
131.08537	0.8
132.05707	24.1
133.02838	1.4
133.06427	1.5
133.10126	0.5
135.04398	1.4
137.05951	1.0
145.02834	1.1
145.06454	0.5
145.10002	0.7
146.03647	0.6
147.04410	1.8
148.05157	2.3
149.05992	2.8
151.07544	1.0
153.06653	0.5
159.04436	1.8
160.05193	12.5
161.05984	2.1
162.06767	1.1
163.03876	2.5
163.07506	4.1
164.04576	0.5
165.05478	2.5
165.06749	0.5
167.07051	7.8
173.05994	0.7
175.07574	0.7
176.04672	2.0
177.05470	13.4
179.07059	5.0
180.07805	7.3
181.04968	0.8
182.09319	0.4
187.03889	5.1
191.07025	26.4
192.07805	100.0
193.08345	1.5
199.03941	1.3
207.06493	4.9
207.08154	0.6
208.07332	1.7
209.08049	0.9
210.08975	0.5
217.04971	0.6
219.07999	0.6
221.05963	0.6
235.07532	0.6
237.09161	0.5
247.07492	0.5
251.06970	0.6
263.06940	0.8
265.08612	0.5
269.45157	0.4
275.06912	0.5
279.06628	1.1
280.07208	0.6
293.08212	0.8
293.11670	0.6
295.09772	0.6
296.10327	0.5
311.09097	0.8
321.07462	1.3
325.10583	1.2
341.10028	3.3
344.68066	0.4
353.10175	21.8
371.11234	18.7
371.18866	0.8
372.11475	0.6
415.22098	0.6
431.21790	3.0
471.74832	0.5
480.45010	0.5
519.23328	0.7
563.22430	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	562.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01867	2.4
57.03431	3.6
61.02911	2.7
68.51109	0.9
68.99785	2.0
69.03426	17.9
69.53842	0.9
70.06592	2.7
71.04994	2.9
71.65022	1.4
73.02917	2.5
73.93694	0.9
75.51966	0.9
81.03410	13.5
85.02899	27.2
86.09721	1.1
87.00825	8.8
91.05470	1.1
97.02892	8.8
99.04454	5.2
99.06589	1.0
100.77322	1.0
103.03944	1.5
103.05430	1.1
105.01888	4.4
109.02869	13.1
112.52262	0.9
117.01842	1.8
119.93723	0.9
127.03905	20.6
129.01808	2.3
131.04921	1.4
136.06172	6.1
137.05978	2.2
139.03949	0.9
142.40652	1.1
145.04948	5.0
147.02910	1.2
147.04427	2.6
159.02858	5.0
163.03943	1.4
170.61409	1.0
177.08400	0.9
186.13535	1.0
191.08612	1.4
195.08078	1.1
205.06630	1.4
207.08081	1.5
211.07520	2.4
219.08093	1.5
223.07527	8.3
231.05009	3.1
233.05829	1.3
235.07526	2.6
236.08371	1.3
237.09099	5.0
239.07018	4.2
249.05473	2.1
249.09085	1.2
250.06154	2.2
251.07005	19.1
252.07829	1.9
253.05045	2.5
253.08600	9.7
263.06851	1.5
264.10251	1.3
265.08591	8.1
266.09375	67.3
267.06531	38.4
267.09479	2.2
268.07248	3.2
280.10950	1.5
281.08011	1.7
282.08844	53.1
283.09366	1.2
290.09372	1.0
295.09686	2.0
297.11206	100.0
298.11444	1.8
308.10471	2.2
314.10312	1.7
314.13803	13.8
339.12286	2.2
377.01675	1.0
394.14688	1.0
400.60376	1.2
472.62839	1.1
481.57816	0.9
500.18768	1.2
501.13766	1.8
519.46051	0.9
526.17548	1.1
544.19763	2.0
545.08624	1.7
545.16522	25.5
562.19330	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37894	2.1
53.03931	5.1
55.01874	11.3
55.05505	16.8
57.03431	11.4
61.02935	3.1
65.03939	4.3
67.05505	66.5
69.03415	7.9
69.07072	17.8
70.16714	4.1
70.17119	3.6
71.04974	6.8
73.02921	2.1
79.05058	3.4
79.05490	41.7
81.03030	2.0
81.03417	19.2
81.07053	69.4
83.05000	12.3
83.08619	11.7
85.02887	6.9
85.06554	9.8
91.05478	60.0
93.07033	40.9
94.07349	2.1
95.04977	18.5
95.08607	21.1
97.02886	3.4
97.06507	7.5
97.10156	4.2
98.20810	2.6
99.04440	2.9
105.06387	3.2
105.07032	50.0
106.16393	1.9
107.04932	8.4
107.08588	41.3
109.06496	12.4
109.10156	57.5
111.04337	3.0
111.08086	5.0
113.05939	2.6
115.05401	2.2
117.07016	10.4
119.08588	13.7
121.06496	6.5
121.10136	14.3
123.08073	6.4
123.11685	9.0
125.09606	3.7
127.07542	2.0
129.05505	2.8
129.07007	7.4
131.08577	13.7
133.06476	6.4
133.10132	70.9
134.10478	2.4
135.08014	7.7
135.11693	5.5
137.09572	3.3
143.08537	6.6
145.10097	7.6
147.08040	5.1
147.11652	5.5
149.09631	9.1
151.11176	35.2
155.08485	2.4
157.10126	5.8
159.08022	4.4
159.11708	3.2
160.67694	2.2
161.09601	7.1
163.11224	3.6
165.12733	2.7
169.12221	6.0
171.11635	3.2
175.11232	5.4
177.09067	2.8
179.10690	2.7
181.09901	1.9
183.11571	1.8
189.12811	2.0
193.12274	5.8
211.13263	2.9
215.12820	3.2
227.17964	2.3
229.14229	2.1
245.18999	3.0
253.14355	100.0
263.20078	3.4
267.15900	9.2
271.15369	15.8
273.18463	18.8
285.16937	5.6
291.19507	15.5
347.22141	8.4
347.35071	2.3
365.23224	84.1
366.23590	2.3
383.24191	3.2
459.27603	4.5
477.28537	9.4
527.28424	2.6
562.37598	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	560.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53710	0.6
54.59872	0.6
57.44187	0.6
60.25295	0.6
63.62962	0.6
70.06577	0.9
85.02869	0.8
97.06521	1.3
98.85110	0.8
130.87900	0.6
142.90068	0.6
178.07790	3.2
189.06937	1.9
190.07808	1.2
191.08458	1.0
202.07700	0.9
205.06462	1.2
206.07271	5.2
208.08850	1.4
210.76686	0.6
217.06543	0.9
218.07265	2.4
221.09596	23.4
222.09920	0.9
223.11255	1.2
225.09225	0.6
233.09711	1.4
234.06706	4.5
235.07509	2.7
236.08293	1.4
247.07401	0.8
248.05647	0.6
248.08177	1.4
248.95064	0.6
249.09081	16.5
251.10486	0.8
251.74763	0.8
262.09875	0.6
264.07736	1.6
279.10135	100.0
280.10361	1.6
296.09393	1.6
296.12781	31.9
346.27521	0.6
347.14468	0.6
356.22388	0.6
399.10788	1.0
427.32617	0.7
439.05304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
54.13307	2.1
55.01859	10.5
55.05507	51.9
56.05837	2.7
57.03443	14.5
57.07064	4.5
59.05009	2.8
63.48135	2.2
65.03924	5.8
67.05502	97.0
69.03420	5.1
69.07059	31.0
71.04987	10.8
71.64355	2.0
71.64796	3.6
74.09752	2.2
79.05055	4.7
79.05489	69.7
80.05811	3.0
81.03408	22.3
81.06575	5.0
81.07053	89.5
83.04981	15.4
83.08611	30.5
85.02885	4.0
85.06525	7.0
91.05471	66.3
92.05807	3.0
93.07044	67.7
94.07372	2.6
95.04977	17.7
95.08595	56.2
97.06534	14.9
97.10159	26.4
99.08085	3.6
103.05443	4.1
105.07022	67.1
106.07347	2.5
107.04966	8.3
107.08588	50.4
108.97131	2.1
109.06501	12.2
109.10159	32.3
111.08062	8.0
113.06022	3.0
115.05431	5.2
117.07011	30.5
119.07790	4.1
119.08578	49.7
121.06542	6.3
121.10136	26.0
123.08052	11.8
123.11681	7.3
125.05994	3.1
125.09611	14.8
128.06207	5.7
129.07005	23.3
130.07741	2.7
131.08554	38.7
133.06476	8.3
133.10129	34.0
135.08029	9.3
135.11690	16.9
137.09612	7.5
139.11139	4.9
142.07770	5.4
143.08556	20.7
144.09288	2.5
145.06462	5.1
145.10115	34.0
147.08014	6.7
147.11697	22.2
149.09647	12.8
149.13219	7.4
151.11209	3.7
153.09058	2.7
155.08537	10.7
157.06497	4.0
157.10124	22.9
159.08064	3.8
159.11674	27.8
161.09573	6.8
161.13258	15.0
163.11160	9.7
165.12810	2.9
167.08575	5.8
167.10681	2.2
168.09332	3.5
169.10115	18.3
171.11638	20.7
173.09619	6.0
173.11845	5.4
173.13255	19.2
175.11156	7.6
175.14827	6.5
177.12744	3.7
179.08539	3.5
181.10072	8.0
181.12175	3.8
183.11717	11.2
185.09541	3.4
185.13287	12.6
187.11165	5.1
187.13289	2.5
187.14760	6.2
189.11212	10.8
189.12717	3.7
191.14342	5.4
193.10353	4.0
193.12221	11.4
195.11720	7.8
197.13232	8.5
199.11435	3.1
199.14821	6.1
201.12778	4.2
201.16370	4.1
203.14453	3.5
209.13332	5.2
211.13237	7.2
211.14952	3.4
213.16492	3.4
215.14243	2.4
217.15894	3.9
223.14845	2.6
227.12782	8.6
229.14165	3.7
241.19702	4.7
259.20538	8.0
267.15897	5.6
271.20413	4.9
273.18463	3.7
275.20047	6.4
277.21661	4.5
283.20633	4.0
285.16898	4.6
285.22128	7.6
287.23737	3.1
289.21521	5.4
297.21973	5.1
299.23810	12.8
301.21536	3.0
303.23138	5.5
315.23080	5.2
317.24844	3.5
325.21573	3.0
333.24091	5.2
337.42355	2.5
339.23422	3.9
341.24857	3.2
383.80667	2.6
415.30197	3.0
423.32498	3.0
433.30927	14.1
451.32016	27.6
469.33218	19.9
470.33261	3.2
487.34171	14.0
507.34616	3.9
515.37354	4.5
525.28510	3.1
525.35718	35.4
543.36804	100.0
544.37079	4.7
561.37805	63.8
572.68890	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	560.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62113	0.6
55.01781	1.0
55.02016	0.5
57.03351	1.2
68.52184	0.4
69.03321	6.2
69.03727	0.9
69.06935	0.4
70.06496	0.5
70.31285	1.1
70.31680	0.9
71.01276	0.7
79.05405	0.7
81.03300	1.8
81.06979	0.5
85.02788	4.6
87.00706	2.2
97.02769	3.6
97.06400	1.2
99.04349	0.6
101.02277	1.1
105.01759	1.3
109.02782	1.2
109.30442	0.4
115.03790	1.5
127.03934	2.6
143.03275	1.5
152.16171	0.4
154.07669	0.4
159.02766	1.0
165.06937	1.0
166.07695	1.9
167.08443	0.8
173.11504	0.5
177.06850	0.9
178.07756	5.0
178.10358	0.4
179.08478	1.2
181.06326	0.5
189.06921	1.2
190.07686	1.3
191.08521	0.8
192.05602	0.9
193.08807	1.3
194.07288	5.0
195.08063	2.7
205.06436	1.6
206.07298	4.8
207.08080	2.5
208.08838	3.2
209.09566	4.8
210.10236	0.6
217.06421	0.8
218.07150	1.7
219.08028	1.4
220.08829	0.9
221.06055	0.8
221.09679	19.8
222.06795	2.5
223.07654	5.9
223.09749	1.8
224.08250	1.1
233.09753	1.0
234.06792	4.8
235.07510	1.7
236.08241	2.1
236.10660	7.2
237.09079	3.8
238.09924	2.3
247.07510	1.1
249.05222	0.6
249.09152	14.9
250.09029	0.6
251.06972	0.8
251.09236	3.3
252.07686	0.7
261.09106	0.9
264.07736	1.4
264.10233	4.9
265.05640	0.8
265.08591	44.9
266.09369	77.7
267.10040	2.2
277.08713	0.5
279.10162	100.0
280.10370	1.4
292.09418	0.7
294.11221	33.7
295.12039	10.8
295.15237	0.7
296.12775	4.3
306.11295	0.7
311.70459	0.5
312.12280	14.7
330.17722	0.6
336.12158	0.9
474.17822	0.8
542.16742	0.8
560.17194	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33210	2.4
50.91639	2.8
53.03942	8.5
53.59331	2.3
55.01866	18.5
55.05508	34.8
55.19225	2.6
57.03426	12.2
57.07071	4.8
59.27419	2.4
65.03936	5.6
65.20974	2.5
65.43090	2.9
67.05159	4.8
67.05500	69.1
69.07063	32.2
70.80152	4.6
70.80524	4.6
71.04987	9.8
74.54565	3.0
79.05487	70.5
81.03412	27.1
81.07051	76.1
83.04977	10.3
83.08608	29.8
85.06535	4.1
86.05453	2.5
91.05473	75.8
93.07037	87.0
95.04957	23.1
95.08601	71.9
97.02911	4.2
97.06532	18.5
97.10171	8.3
99.04441	4.0
99.08072	2.9
103.05460	4.7
105.07024	80.5
107.04949	20.6
107.08582	58.8
109.06520	7.3
109.10157	19.1
111.04428	4.0
111.08080	4.2
115.05470	2.8
117.07020	33.9
119.08571	64.2
121.06519	9.5
121.10142	36.2
123.08049	5.8
123.11707	6.4
125.09607	6.8
129.06981	18.7
130.07799	3.7
131.04942	2.8
131.08554	33.1
133.10117	48.0
133.73352	2.4
135.08093	6.0
135.11687	65.1
137.09554	3.1
142.07841	3.0
143.08522	13.4
145.10121	50.5
147.08032	5.9
147.11682	49.4
149.09627	8.2
149.13249	9.7
153.12759	3.9
155.08626	2.8
157.10147	14.7
159.08069	2.9
159.11647	26.1
161.13268	32.5
163.11174	59.0
163.14882	3.7
169.10077	4.0
171.11700	11.3
173.13261	11.9
175.11185	3.0
175.14822	15.1
177.12709	6.2
177.41212	3.1
179.14342	4.5
181.12260	11.2
183.11720	5.0
185.13277	10.0
187.11214	3.0
187.14862	6.1
193.12335	6.2
197.13272	4.4
199.14865	7.5
201.16306	3.4
207.11520	2.4
211.14992	3.1
213.16377	2.9
215.17874	2.6
227.12773	100.0
231.21033	6.9
241.19498	38.1
257.18982	3.2
259.20566	75.2
267.15778	16.5
275.20059	29.5
277.21826	4.8
283.15359	44.2
288.52667	3.1
291.19720	3.2
293.21176	6.1
297.22156	2.4
299.20023	3.7
315.23163	14.8
318.12851	2.7
333.24222	71.4
349.23724	8.3
442.58005	2.7
449.30383	3.5
467.31601	4.1
485.32489	4.6
523.33917	4.6
531.36505	3.2
541.35211	47.7
559.36053	27.2
559.59399	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	558.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
58.06593	4.7
68.04256	3.5
69.03421	10.6
69.80225	8.4
69.80635	17.3
70.06588	10.0
72.08157	3.6
79.05487	8.8
81.03410	10.0
84.08137	3.7
85.02913	25.7
85.07718	4.8
91.05499	20.2
95.04974	3.6
97.02888	10.1
103.05486	20.1
105.07044	18.2
107.04956	38.4
109.02850	4.4
110.07156	19.6
114.38132	4.3
115.05455	4.8
115.83222	3.4
117.06974	6.0
119.04928	11.9
120.16247	3.9
121.06506	9.9
122.28912	4.3
127.03922	8.0
129.06950	5.2
131.04935	30.3
133.02811	12.3
133.06468	21.3
135.08043	9.1
137.05972	100.0
146.07266	6.1
147.04399	16.6
148.05174	6.7
149.05980	16.4
151.03922	4.2
151.07555	29.5
152.49637	3.6
156.07703	21.5
159.08043	5.2
161.05989	78.4
161.09595	20.9
162.06750	6.9
163.07558	73.9
164.04485	4.0
165.05461	5.6
165.09171	7.1
167.07082	8.1
175.07535	16.0
177.09148	9.8
179.07066	22.4
181.08604	14.3
189.09152	41.6
191.07028	8.0
193.10204	4.7
195.08046	3.8
203.06929	7.1
203.10561	4.1
207.10164	84.4
219.10207	5.4
223.07642	4.4
227.10661	4.9
255.10284	4.6
273.11115	5.3
285.11203	6.3
287.12759	10.4
291.12268	11.5
307.71115	3.8
311.12692	5.4
313.14325	14.3
331.15436	36.5
343.15350	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	558.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	33.4
57.03428	47.5
57.07057	66.8
63.97334	24.2
66.28114	21.0
67.05499	61.1
67.80358	22.1
69.03420	30.1
69.07062	35.5
70.82362	80.3
79.05531	28.8
81.03404	76.1
81.07043	86.3
83.04964	33.3
83.08616	58.3
85.02901	34.4
85.10190	31.3
91.05499	55.6
93.07093	26.3
95.04965	50.9
95.08595	27.5
105.07011	31.4
109.10180	24.1
118.20036	21.8
119.08612	49.8
119.33836	28.3
121.10152	30.3
129.06985	32.7
134.73354	20.1
137.34241	20.2
157.10185	32.2
175.11261	25.4
176.25937	23.2
193.12175	54.3
211.13309	86.0
234.48584	28.4
267.16013	27.2
274.55035	23.0
285.16965	72.2
313.27383	100.0
409.74283	22.9
523.39954	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02422	1.6
51.04145	1.6
53.03944	5.4
55.01881	11.0
55.05511	44.4
57.03446	11.4
57.07071	3.4
59.05005	2.1
60.29026	1.7
65.03934	4.0
67.05503	49.4
69.03416	3.0
69.07076	20.1
70.08558	7.8
71.04987	5.2
75.04454	1.5
77.81532	1.7
79.05492	46.9
80.05854	1.6
81.03415	13.6
81.07053	47.1
83.04971	8.8
83.08618	20.2
85.02866	2.2
85.06538	4.3
85.52357	1.7
90.46755	1.8
91.05482	46.0
91.06016	3.5
93.07039	33.8
95.04955	10.7
95.08607	25.2
96.58116	1.7
97.02885	2.7
97.06527	6.4
97.10168	25.8
99.50269	1.9
103.05521	1.9
105.07034	39.4
107.04956	7.1
107.08597	32.4
109.02824	1.9
109.06531	8.9
109.10153	16.1
111.04419	2.1
111.08087	6.2
113.09673	1.8
115.05470	4.3
117.07023	26.7
119.08583	28.1
121.06496	3.9
121.10134	13.0
123.08072	5.4
123.11692	3.1
125.09632	21.3
128.06229	4.2
129.07013	15.7
131.08569	34.7
133.10121	22.9
135.08055	7.4
135.11708	10.7
141.07010	8.1
142.07727	4.9
143.08563	18.0
145.06497	3.6
145.10129	29.5
147.08057	5.1
147.11673	17.6
149.09630	3.3
149.13269	5.0
149.24484	2.0
150.41328	1.7
153.07030	2.2
153.09151	2.5
153.12769	2.8
155.08528	8.3
156.09315	2.7
157.10146	17.9
159.11685	20.4
161.09686	3.0
161.13298	10.1
163.11234	10.2
167.08656	4.2
169.10115	10.1
171.10410	2.2
171.11703	10.4
173.09669	4.3
173.13162	10.8
175.11165	4.2
175.14868	4.6
177.12807	2.0
179.08505	2.1
181.10133	4.9
183.11740	8.1
185.13290	11.0
187.11191	2.4
187.14856	5.2
189.11259	14.2
189.12746	3.9
193.12250	3.0
195.11752	4.0
197.13248	7.8
199.11169	3.2
199.14810	7.8
201.12857	3.6
201.16367	3.0
207.00827	1.6
209.11594	2.7
209.13277	4.7
211.14905	5.1
213.16399	3.8
217.19452	1.9
220.44862	1.6
221.13240	2.1
227.12744	26.7
237.16496	2.5
239.18178	3.6
241.19556	6.5
245.13666	3.6
257.19022	5.8
259.20557	11.1
267.15875	3.9
269.22623	2.3
271.20605	2.4
275.20093	11.5
277.21744	4.0
283.15488	13.7
285.22189	3.7
287.23746	2.5
291.19537	7.3
295.20590	2.7
297.22107	14.1
299.19913	3.4
313.21887	2.1
315.23199	17.5
329.21295	1.8
333.24301	8.5
337.21509	2.8
345.23883	2.1
349.23828	2.5
371.26166	2.3
397.92200	1.8
399.49237	1.7
421.31113	3.6
431.29346	9.0
439.32117	2.2
449.30310	12.7
457.32986	2.0
461.28647	2.7
467.31799	15.8
485.32419	16.2
505.32910	2.3
513.35602	5.6
523.33929	11.7
531.36963	2.8
541.35260	100.0
542.35156	5.2
559.36243	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.6
52.40180	2.4
53.03935	10.4
55.01867	25.9
55.05264	3.0
55.05508	47.8
55.83651	2.2
57.03427	18.7
57.07085	4.2
59.04985	3.9
64.74781	2.1
65.03938	5.9
67.05499	89.7
69.03405	8.6
69.07061	46.5
71.04988	10.9
71.08617	3.5
71.45278	2.9
79.05486	81.2
81.03415	62.5
81.07048	85.1
83.04965	19.7
83.08610	29.4
85.02869	12.9
85.06538	7.8
90.18648	1.8
91.05475	100.0
93.07034	66.8
95.01324	9.7
95.04962	35.7
95.08599	52.8
97.06517	35.4
97.10169	15.8
99.08070	5.6
103.05479	4.5
105.07021	90.9
107.04945	26.5
107.08582	36.5
109.06514	14.5
109.10146	26.4
111.04381	2.6
111.08073	8.6
115.05454	5.6
117.07008	30.3
119.08566	57.0
121.06479	11.3
121.10126	22.2
123.04435	2.5
123.08051	8.4
123.11683	7.4
125.06020	2.2
125.09606	10.6
128.06212	2.7
129.07004	25.9
131.04851	2.1
131.08546	42.8
133.06477	5.2
133.10104	49.1
135.08011	11.2
135.11702	11.6
137.09584	5.2
141.06964	6.0
142.07793	6.2
143.08536	19.0
145.06487	6.6
145.10110	27.5
147.08047	6.6
147.11682	32.8
149.09593	15.4
149.13229	7.4
151.11197	3.3
154.07799	2.8
155.08553	8.9
157.06425	2.2
157.10123	19.4
159.08130	4.1
159.11667	18.0
161.09554	3.0
161.13268	10.9
163.11183	9.6
165.09161	3.5
165.12724	3.6
169.10089	12.6
171.11630	10.0
172.12047	2.0
173.09633	3.5
173.11917	2.3
173.13301	7.3
175.11208	9.5
177.12727	6.3
179.14294	14.0
181.10115	5.4
183.11699	10.1
185.13281	6.8
187.11163	5.1
187.14799	2.3
189.11206	5.7
193.10452	3.0
193.12196	19.2
195.11667	3.0
197.13269	5.5
201.12692	2.3
209.13300	3.6
211.13223	16.2
219.13857	2.7
227.10678	2.3
227.12813	9.2
229.12321	3.4
229.19412	3.4
239.17973	3.2
241.14256	3.4
257.18909	11.0
259.20663	2.9
267.15854	30.6
273.18750	2.6
275.20029	98.0
279.15814	3.1
285.22058	2.3
291.19489	2.8
293.20966	15.3
295.20853	2.4
297.22238	4.2
299.20105	3.7
313.21564	5.9
315.23169	7.5
331.22809	3.7
349.23624	16.6
373.23874	3.2
387.25531	2.7
439.32352	2.7
449.30466	11.4
467.31522	7.7
523.34106	5.5
541.35199	50.0
559.36255	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01859	10.2
55.05505	37.9
57.03441	3.7
57.07079	5.0
63.43622	3.1
63.92080	3.7
65.03943	7.6
67.05499	78.5
67.05826	6.4
69.03403	4.0
69.07061	40.8
69.39159	40.2
70.68991	3.3
71.04993	5.5
72.30390	3.6
75.04443	3.4
77.03956	3.4
79.05490	79.2
81.03415	10.2
81.06574	6.0
81.07052	100.0
83.04994	16.0
83.08620	20.1
85.06511	5.7
85.53847	4.7
89.21571	3.1
91.05476	77.8
91.06000	5.6
93.07042	96.1
95.04973	20.2
95.05474	3.2
95.08604	77.5
97.06506	17.0
97.10177	16.5
98.20699	6.3
105.07031	90.6
107.04971	15.4
107.08593	85.3
109.06509	6.0
109.10155	33.7
111.08160	4.5
117.07020	23.3
119.08582	68.6
121.06525	7.9
121.10149	61.2
121.33946	4.1
123.08040	9.3
123.11720	15.2
125.09612	6.5
128.06204	4.6
129.06956	17.5
131.08563	44.7
132.53888	3.7
133.06424	4.4
133.10123	57.1
135.08073	6.7
135.11673	45.6
137.09645	4.0
141.06966	4.7
143.08575	24.2
145.10129	46.6
147.11705	47.1
149.09563	7.0
149.13257	16.9
155.08548	14.5
157.10120	29.6
159.11696	25.3
161.13243	30.9
163.11206	13.3
163.14888	9.4
164.62341	3.3
169.10143	14.3
171.11655	17.8
173.09555	4.5
173.13242	22.3
175.11285	4.5
175.14847	13.5
179.14503	4.2
181.12178	4.1
183.11673	20.3
185.13269	13.2
187.14809	22.5
189.16380	10.1
193.59511	3.9
195.11699	4.4
197.13255	15.9
199.14832	14.2
201.16353	25.2
203.17998	8.7
209.13387	5.2
211.14848	11.1
213.16345	5.8
215.17786	5.0
225.16345	7.8
227.12814	7.3
227.17946	6.6
237.16534	4.2
239.17949	9.2
253.19453	6.8
259.20493	4.5
261.18579	4.0
265.21680	7.0
267.21057	6.0
273.18475	6.6
275.20026	18.0
277.21631	79.3
287.20142	4.0
291.16107	4.0
291.19559	8.6
291.23160	5.4
303.16357	4.1
303.22986	8.5
317.24789	5.2
331.26196	8.7
345.27969	11.8
355.26456	4.2
357.27905	5.5
369.27951	3.6
395.29306	5.1
451.35733	5.4
479.38849	88.7
539.41040	32.2
557.34369	33.8
557.41913	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	557.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01859	10.2
55.05505	37.9
57.03441	3.7
57.07079	5.0
63.43622	3.1
63.92080	3.7
65.03943	7.6
67.05499	78.5
67.05826	6.4
69.03403	4.0
69.07061	40.8
69.39159	40.2
70.68991	3.3
71.04993	5.5
72.30390	3.6
75.04443	3.4
77.03956	3.4
79.05490	79.2
81.03415	10.2
81.06574	6.0
81.07052	100.0
83.04994	16.0
83.08620	20.1
85.06511	5.7
85.53847	4.7
89.21571	3.1
91.05476	77.8
91.06000	5.6
93.07042	96.1
95.04973	20.2
95.05474	3.2
95.08604	77.5
97.06506	17.0
97.10177	16.5
98.20699	6.3
105.07031	90.6
107.04971	15.4
107.08593	85.3
109.06509	6.0
109.10155	33.7
111.08160	4.5
117.07020	23.3
119.08582	68.6
121.06525	7.9
121.10149	61.2
121.33946	4.1
123.08040	9.3
123.11720	15.2
125.09612	6.5
128.06204	4.6
129.06956	17.5
131.08563	44.7
132.53888	3.7
133.06424	4.4
133.10123	57.1
135.08073	6.7
135.11673	45.6
137.09645	4.0
141.06966	4.7
143.08575	24.2
145.10129	46.6
147.11705	47.1
149.09563	7.0
149.13257	16.9
155.08548	14.5
157.10120	29.6
159.11696	25.3
161.13243	30.9
163.11206	13.3
163.14888	9.4
164.62341	3.3
169.10143	14.3
171.11655	17.8
173.09555	4.5
173.13242	22.3
175.11285	4.5
175.14847	13.5
179.14503	4.2
181.12178	4.1
183.11673	20.3
185.13269	13.2
187.14809	22.5
189.16380	10.1
193.59511	3.9
195.11699	4.4
197.13255	15.9
199.14832	14.2
201.16353	25.2
203.17998	8.7
209.13387	5.2
211.14848	11.1
213.16345	5.8
215.17786	5.0
225.16345	7.8
227.12814	7.3
227.17946	6.6
237.16534	4.2
239.17949	9.2
253.19453	6.8
259.20493	4.5
261.18579	4.0
265.21680	7.0
267.21057	6.0
273.18475	6.6
275.20026	18.0
277.21631	79.3
287.20142	4.0
291.16107	4.0
291.19559	8.6
291.23160	5.4
303.16357	4.1
303.22986	8.5
317.24789	5.2
331.26196	8.7
345.27969	11.8
355.26456	4.2
357.27905	5.5
369.27951	3.6
395.29306	5.1
451.35733	5.4
479.38849	88.7
539.41040	32.2
557.34369	33.8
557.41913	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01866	6.5
55.05504	24.9
57.03419	4.9
57.07062	3.6
65.03924	2.8
67.05499	43.6
69.03423	2.7
69.07056	20.9
69.42582	11.5
71.04975	4.7
77.03910	1.7
79.05479	42.4
81.03398	5.5
81.07045	44.0
81.98821	1.2
83.04980	6.1
83.08603	12.3
85.06524	3.5
91.05471	40.2
93.06451	2.5
93.07031	42.6
95.04958	9.3
95.08035	2.2
95.08597	30.4
96.67072	1.3
97.06523	8.2
97.10159	8.4
99.08067	2.3
101.05994	1.4
103.05445	2.8
105.04530	1.6
105.07016	40.6
105.13085	1.3
106.04168	1.6
107.04936	7.0
107.08587	24.2
109.06493	4.2
109.10146	11.4
111.04462	1.7
111.08066	1.6
115.05420	2.9
117.07004	17.5
119.08572	34.2
121.06502	4.3
121.10137	12.7
123.08032	5.4
123.11681	3.5
125.09582	3.1
128.06212	5.8
129.06982	20.6
130.07764	2.5
131.07562	2.6
131.08545	36.5
131.09502	2.5
133.06499	2.1
133.10120	19.5
135.08014	5.3
135.11700	10.5
137.09579	2.2
137.13339	1.2
139.11148	1.6
141.06982	8.9
142.07776	5.4
143.08542	27.4
145.06451	4.4
145.10100	29.4
147.08035	3.8
147.11678	19.5
149.05945	1.5
149.09604	3.2
149.13232	3.6
153.06931	1.8
154.07756	2.5
155.08531	23.6
156.09334	3.2
157.10117	25.9
157.11374	0.9
159.08029	3.5
159.11667	19.6
161.09630	2.0
161.13220	11.8
163.07561	1.3
163.11160	8.1
163.14761	1.6
165.07001	2.3
166.07735	1.4
166.72647	1.4
167.07137	2.6
167.08563	10.0
168.09337	2.8
169.10107	24.6
170.10904	2.1
171.07971	1.8
171.11668	23.0
173.09593	3.3
173.13245	13.3
175.11116	2.0
175.14769	4.3
177.12675	2.4
178.07823	1.4
179.08531	3.3
181.10095	14.6
183.08063	1.4
183.11664	18.7
185.09618	2.7
185.13228	14.4
187.11099	4.5
187.14792	7.1
189.12764	2.7
192.76491	1.2
193.10129	4.9
194.10919	1.3
195.11679	14.9
197.09557	1.4
197.13237	17.8
199.11151	2.4
199.14803	10.8
201.12733	1.8
201.16357	3.1
203.17882	1.2
207.11679	5.0
207.13802	4.4
209.08095	5.2
209.13222	8.7
211.14815	8.9
213.12711	1.9
213.16393	9.3
215.17995	1.6
219.11678	2.5
221.13272	3.9
223.14796	6.5
225.16399	2.8
227.12679	6.7
235.14752	3.3
237.16350	5.5
239.18001	3.5
241.19560	6.0
247.14729	1.8
247.17038	3.0
249.16257	3.1
257.18964	3.2
259.20572	11.6
261.16406	1.7
263.17899	2.0
265.19281	1.4
271.16925	1.3
275.20053	7.8
277.21820	1.5
279.15826	4.3
279.21112	1.3
281.17471	6.5
287.19986	3.0
291.19623	1.3
295.20511	2.5
297.18469	1.6
297.22025	3.4
299.23688	1.7
307.20627	1.7
309.22125	1.5
311.20145	2.9
313.21539	2.7
323.23657	3.6
333.24323	3.4
335.23560	3.6
337.25024	1.9
339.23297	2.4
349.25317	1.5
353.24603	2.2
367.26456	1.8
419.32986	4.2
429.31876	6.1
435.32477	2.0
437.34131	13.6
447.32544	32.9
448.33002	1.4
455.35107	1.5
465.33719	31.2
483.34641	23.8
484.35336	1.5
485.34534	1.5
493.36557	1.8
501.35623	4.4
503.35327	1.7
511.38028	2.1
521.36157	8.8
527.37054	1.5
529.38940	8.2
539.37329	100.0
540.37354	4.6
556.88275	1.6
557.38647	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95268	38.1
67.05499	55.4
79.05482	58.4
81.07059	81.4
85.06501	40.0
91.57018	45.7
93.07009	55.2
95.08604	73.7
104.10732	46.7
106.02404	37.4
107.08596	61.3
119.08594	54.3
159.11734	45.2
159.90062	39.3
267.15884	49.6
280.72934	42.1
283.26346	65.2
300.29071	56.8
556.53314	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	556.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.7
56.23652	2.5
57.03442	4.9
57.07064	22.9
62.63856	2.3
67.05492	10.0
69.07059	5.2
70.06574	9.8
70.77380	8.0
71.08626	13.5
79.05459	4.2
81.07049	10.5
82.05553	2.9
83.08616	6.0
85.10175	10.3
88.07613	4.2
89.06007	5.5
93.07043	10.6
95.08584	20.4
95.75689	3.0
104.10725	18.9
107.04964	3.1
107.08572	5.9
109.10159	6.0
119.08632	2.8
121.10195	4.7
132.10193	9.2
135.11691	16.6
138.32126	2.8
145.10139	5.9
146.11768	11.4
163.11163	21.6
170.86923	3.0
175.06221	2.7
177.68576	2.8
181.12253	3.9
200.40065	2.6
227.12762	30.4
256.26407	6.5
283.15518	22.2
283.26309	63.7
298.15530	3.0
300.28925	28.7
313.27393	32.0
346.36246	2.8
352.94559	2.8
521.38629	25.1
556.52979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01873	4.1
55.05512	21.6
57.03422	7.8
57.07059	5.4
65.03927	3.3
67.05505	45.1
69.03413	1.9
69.06769	2.0
69.07067	20.1
69.64491	14.2
71.05002	2.9
79.05062	2.6
79.05493	43.2
81.03432	8.8
81.07056	51.6
83.04971	5.9
83.08638	14.3
85.06533	3.6
91.05479	41.2
93.07047	41.8
95.04964	11.6
95.08607	33.3
97.06530	3.4
97.10174	8.8
98.21447	3.6
99.08089	2.2
103.05405	2.1
105.07033	39.7
107.04985	8.0
107.08583	20.7
109.06540	4.5
109.10159	14.6
111.08087	3.8
114.55624	1.7
115.05455	2.6
117.07023	20.5
119.08576	35.5
121.06513	3.6
121.10131	19.1
123.08053	4.6
123.11733	2.8
125.09613	4.2
128.06189	3.2
129.07010	19.5
130.07799	3.7
131.08582	34.2
133.09207	3.0
133.10123	21.3
135.08084	4.0
135.11714	9.0
137.09512	2.7
141.07008	9.3
142.07797	5.8
143.08569	29.6
144.09250	1.7
145.06451	3.3
145.10123	30.1
147.08041	3.6
147.11679	18.5
149.09628	4.7
149.13274	6.0
151.11104	2.2
154.07751	2.7
155.08556	22.8
156.09383	3.4
157.10123	25.9
159.08054	3.8
159.11684	21.8
161.09656	4.2
161.13266	10.1
163.11232	2.9
165.07037	2.3
166.07864	2.0
167.08528	8.0
168.09274	2.2
169.10123	31.3
171.08095	1.7
171.11674	28.3
173.09560	4.0
173.11967	1.8
173.13268	10.5
175.11244	1.8
175.14822	6.7
177.12791	2.6
179.08522	2.4
181.10121	14.9
182.10951	2.1
183.11719	16.6
185.13243	13.5
187.11206	4.4
187.14832	6.0
189.12804	4.5
193.10155	4.7
195.11713	17.4
197.13240	13.9
199.14793	12.3
201.16417	6.1
207.11641	5.6
207.13855	4.8
209.11578	3.6
209.13293	9.4
211.14818	10.8
213.16422	9.8
215.17798	2.1
219.11842	3.1
221.13196	4.6
223.14857	5.3
225.16464	4.7
227.12663	2.4
227.17957	2.7
232.86089	2.3
235.14810	3.9
237.16408	6.5
239.17992	2.2
241.19594	6.9
247.14674	2.2
249.16444	2.2
251.17793	2.3
259.20648	13.3
261.16147	2.2
273.18597	2.0
275.20142	2.9
279.15814	4.1
281.17368	11.8
287.20078	2.4
295.20471	2.6
297.21994	2.3
299.20255	2.3
311.23682	2.2
315.23227	2.6
321.21985	4.0
323.23712	3.8
327.23447	2.4
333.24225	5.4
335.23523	2.6
337.24997	2.2
339.23282	2.6
341.24783	2.5
353.24820	3.1
363.26849	3.3
367.26407	2.7
419.33142	4.3
429.31400	7.3
437.34201	12.0
444.15375	2.1
447.32535	26.1
465.33762	28.3
483.34827	23.6
501.35391	3.7
521.36151	12.2
527.37152	2.8
529.38696	5.8
539.37354	100.0
540.38068	2.3
557.38507	52.9
558.38220	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01873	3.2
55.05259	2.4
55.05508	25.1
57.03436	8.2
57.03686	1.8
57.07069	2.5
60.47399	1.2
60.59792	1.6
62.18583	1.4
65.03941	2.5
67.05505	43.7
69.03437	1.4
69.07065	19.1
69.55547	12.9
71.04990	3.9
76.65264	1.4
79.05494	39.1
79.27024	1.3
81.03403	2.5
81.07057	50.6
83.04984	3.2
83.08624	12.8
85.06547	3.3
91.05476	41.0
93.07042	36.8
94.67451	1.3
95.04958	9.0
95.08606	36.0
97.06539	4.3
97.10159	6.9
99.08073	2.5
99.90849	1.4
103.05477	1.5
105.07029	41.6
106.00963	1.3
107.04980	5.1
107.08612	22.0
109.06533	4.3
109.10143	12.1
111.08089	2.2
115.05457	2.5
117.07027	19.5
119.08577	32.6
121.06506	1.9
121.10153	12.1
123.08060	4.0
123.11741	4.0
125.09646	2.3
128.06232	4.2
129.07004	25.1
130.07800	3.4
131.08566	35.5
131.41556	1.6
133.06470	2.2
133.10126	20.6
135.11671	7.3
137.13184	1.3
141.07021	8.7
142.07782	6.5
143.08554	29.8
145.06485	3.2
145.10129	29.8
147.07993	3.2
147.11687	18.5
149.09610	3.2
149.13293	5.3
151.46837	1.5
153.06973	2.1
154.07741	2.0
155.08540	28.2
156.09302	1.7
157.10135	24.8
159.08087	2.2
159.11700	20.8
161.13264	14.1
163.11185	3.3
163.14911	1.7
165.07060	3.5
166.07869	2.2
167.08566	10.8
168.09406	2.6
169.10120	28.1
171.08109	2.4
171.11684	25.2
173.09561	2.0
173.13272	13.8
175.11159	2.1
175.14838	5.9
177.12634	2.4
179.08588	4.0
181.10120	16.8
182.10808	4.5
183.11685	24.7
185.09708	1.8
185.13258	17.8
187.11253	3.5
187.14864	5.4
189.12779	2.0
192.09499	1.6
193.10167	5.0
195.11696	14.5
197.13205	14.1
199.11272	2.2
199.14767	9.5
201.16403	3.5
207.11728	4.6
207.13734	3.8
209.13240	10.6
211.14827	9.9
213.16298	11.4
217.15919	1.6
217.19379	1.7
219.11926	1.7
221.13268	3.7
223.14804	8.7
225.16379	5.3
233.13393	1.7
235.14935	4.0
237.16457	3.7
239.18025	3.5
241.19579	6.4
243.21201	2.1
247.17088	3.4
249.16464	2.6
255.17413	2.1
257.19028	2.3
259.20508	13.5
261.16516	1.9
263.17844	2.3
279.16034	3.3
281.17169	7.8
293.18854	2.0
297.22101	2.6
299.23608	2.1
307.20642	2.0
309.22055	1.4
315.23465	1.9
321.22092	2.2
323.23611	3.0
327.23151	2.6
333.24374	4.9
335.23718	4.4
337.25443	1.8
339.22861	2.3
341.24670	2.2
349.25339	2.2
353.24841	2.9
363.27283	2.1
365.24490	1.9
367.26266	2.1
419.33252	3.6
429.31546	7.5
437.34238	14.1
447.32593	26.4
465.33752	36.1
483.34744	21.0
485.34460	1.8
493.37027	2.2
495.34399	1.7
501.35904	2.8
509.36185	1.8
521.36328	7.7
527.37061	2.4
529.39111	7.8
539.37366	100.0
540.37903	3.7
557.38440	52.0
558.38898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01865	7.3
55.05497	7.4
57.03432	6.5
57.07067	8.1
61.02925	5.4
65.03937	4.1
67.05502	13.1
69.03425	18.2
69.07053	7.9
70.06593	7.3
71.04971	3.9
71.63286	3.8
73.02900	2.2
78.93288	2.3
79.05484	12.0
81.03412	6.5
81.07053	31.1
83.08598	10.0
84.04486	4.7
84.08140	3.6
85.02904	96.1
86.09706	4.2
87.04466	3.8
91.05481	43.8
93.07043	4.9
95.04963	7.6
95.08595	38.1
97.02896	23.6
97.06509	25.0
97.10163	10.6
99.04443	5.0
103.05460	24.4
105.03394	10.6
105.07021	18.6
107.04933	6.6
109.02869	9.5
109.06529	7.6
109.10153	52.1
115.05439	5.2
115.11221	2.4
117.06982	3.6
119.04934	57.1
119.08554	2.9
120.08090	5.8
121.06489	4.8
122.03622	5.5
123.08051	4.0
123.11693	56.2
127.03897	27.7
129.07045	2.8
130.05013	5.8
131.04922	31.7
132.05731	3.3
133.02829	2.7
133.06470	11.4
135.04401	4.7
135.08029	3.4
135.11691	4.4
137.05969	100.0
137.13239	18.6
145.04950	41.6
145.06071	1.8
146.07295	2.5
147.04419	23.2
147.08113	4.3
149.05971	8.4
150.06610	3.0
151.07539	24.1
152.04617	3.1
159.08028	4.4
161.05992	32.2
162.06700	7.9
163.03946	4.9
163.06024	27.1
163.07538	30.3
163.11150	4.9
165.05478	3.5
167.07126	3.1
167.81224	2.2
167.83282	2.3
175.06113	3.1
175.07506	28.4
177.05441	5.2
177.07846	3.4
179.07031	29.6
179.17946	54.3
187.07541	15.3
191.08629	3.4
192.10207	24.5
193.03204	5.2
193.08597	7.8
197.02670	4.3
197.19002	52.5
205.08606	12.7
213.46198	2.3
215.10736	3.6
217.08571	4.0
219.07942	4.2
235.09668	4.5
239.07306	4.6
251.10638	6.3
263.07492	3.2
263.10797	3.6
263.98172	2.2
279.10181	6.0
289.08902	2.7
291.10175	6.4
309.11234	19.1
311.12659	12.7
323.12585	4.0
341.13882	7.8
346.58844	2.5
359.24026	5.6
392.11514	4.1
409.14230	7.0
481.16550	4.0
556.25397	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	556.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.3
69.03391	0.4
70.06585	0.7
73.61674	0.4
78.04691	1.4
79.05503	2.9
81.03423	0.4
81.07036	0.8
84.08118	0.4
84.09357	0.4
85.02886	0.6
86.09664	0.4
86.88370	0.4
91.05462	2.1
93.03424	0.9
93.07028	0.5
94.04194	0.5
95.04961	1.8
103.05477	1.6
105.07025	7.8
106.04169	1.6
107.04954	1.5
109.06541	0.6
115.05508	0.6
118.04156	1.0
119.03547	1.0
119.04940	1.3
121.06507	1.9
123.04409	4.5
124.05202	2.4
127.93672	0.4
133.06511	5.9
134.07256	0.5
135.04404	0.6
135.08011	0.5
136.06180	91.0
137.04581	1.5
137.05905	3.2
139.07530	1.8
147.04356	0.5
149.05997	1.6
150.06772	2.5
151.03905	1.0
151.07501	0.7
152.04729	1.1
154.45088	0.4
155.07010	0.7
163.03937	0.8
163.07487	0.5
165.09079	6.1
167.07033	100.0
168.07498	0.9
177.05438	1.5
179.07033	1.1
181.08597	0.6
181.42152	0.4
183.06549	1.4
185.23444	0.4
193.08597	53.7
194.09369	21.1
206.94687	0.5
209.08041	2.9
227.09134	19.7
228.09897	5.4
267.10071	0.7
353.10080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04469	35.3
55.37546	30.9
67.05497	74.4
67.43344	34.7
69.07062	46.5
76.14097	31.3
78.29347	34.1
136.82658	34.4
147.11716	46.9
243.84767	35.0
245.05832	39.7
317.28668	37.7
352.21103	100.0
385.66162	40.3
554.40918	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.5
53.74063	1.0
54.96907	1.0
55.01872	34.0
55.05508	26.4
57.03423	4.5
57.07062	3.8
59.05003	1.8
63.03593	1.3
65.03939	5.7
67.05503	76.6
67.72707	1.1
69.03424	3.4
69.07066	36.9
69.37338	1.0
71.04984	3.8
71.08620	2.0
73.06551	2.7
77.03935	1.2
79.05492	79.6
81.03420	14.5
81.07057	72.5
81.07432	0.7
83.04977	15.8
83.08620	12.2
85.06542	3.0
91.05479	91.1
93.07042	66.0
95.01320	14.5
95.04970	27.2
95.08604	49.5
97.02864	1.8
97.06530	61.1
97.10179	6.3
98.98470	6.4
99.08100	2.5
103.05458	4.0
105.07030	96.9
107.04366	0.6
107.04953	28.0
107.08593	29.1
109.02843	1.3
109.06514	8.3
109.10144	12.1
111.04472	1.1
111.08072	4.3
115.05441	4.2
117.07016	22.6
119.08574	48.7
121.06507	5.9
121.10145	10.4
123.04413	3.4
123.08082	6.8
123.11713	3.1
125.09663	1.8
128.06218	4.2
129.07018	12.8
130.07837	1.7
131.08560	23.9
131.46767	1.1
133.06483	3.2
133.10129	38.5
135.08046	6.1
135.11696	9.4
137.09673	2.6
139.07544	2.7
141.07010	3.3
142.07837	2.0
143.08546	10.2
145.06534	4.1
145.10123	21.4
147.08069	3.0
147.11696	32.9
149.09604	10.6
149.13274	4.0
155.01062	8.5
155.08611	3.5
157.10150	3.7
159.08061	1.3
159.11681	14.0
161.09650	5.1
161.13274	14.2
163.11211	6.4
165.09122	4.1
165.12741	1.2
169.10132	4.3
171.11670	16.9
173.13255	4.2
175.11171	2.3
177.12791	4.6
179.14304	20.7
183.11728	2.9
185.13246	2.0
187.11174	4.3
187.14832	1.6
189.12721	6.4
197.13307	2.7
201.12782	1.7
205.12253	1.4
207.13788	11.4
225.14793	1.8
229.19548	2.9
239.17999	2.9
241.14371	2.7
247.20628	4.9
257.19040	8.8
259.20624	2.7
263.16693	1.4
275.20062	100.0
276.20499	2.3
279.15866	6.6
281.17709	1.3
293.21146	11.4
297.17035	2.0
313.27328	5.1
349.23831	4.6
441.19257	2.2
492.13852	1.3
517.14337	1.2
537.35657	4.3
555.22449	6.4
555.36786	53.3
556.36798	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	553.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16518	0.6
53.03945	0.7
55.01868	1.0
55.05512	0.9
55.08591	0.6
67.05488	2.2
69.03422	0.9
69.07046	1.1
70.91293	0.6
71.65070	1.1
79.05498	3.2
79.82806	0.6
81.06627	0.9
81.07047	7.5
91.04938	1.0
91.05468	10.1
93.07034	5.4
95.04945	2.6
95.08591	3.3
97.98738	0.6
100.98502	0.6
103.05413	0.7
105.07029	18.3
107.04929	0.8
107.08575	7.8
109.06499	1.8
109.10124	1.1
115.05443	1.4
116.06181	1.1
117.07000	5.6
119.04929	0.9
119.08580	5.6
121.06509	3.3
121.10160	1.1
123.08018	1.1
128.06209	4.9
129.07001	9.0
131.04944	1.1
131.08557	27.3
133.06454	2.4
133.10112	3.7
134.27165	0.6
135.04341	0.9
141.06978	4.3
142.07762	6.0
143.08546	17.2
144.09322	2.1
145.06465	6.3
145.10118	11.2
147.08014	2.1
147.11690	4.4
149.05957	1.8
149.09583	0.7
152.06116	0.7
153.06963	5.2
154.07774	1.5
155.08543	12.2
157.10118	13.8
158.10838	0.9
159.04401	1.8
159.08051	9.5
159.11687	11.3
161.05981	1.3
163.07542	1.0
166.07709	0.7
167.08537	2.3
168.09337	20.5
169.10078	2.6
171.08005	2.2
171.11638	1.0
172.08842	0.9
173.05991	5.8
173.09683	3.7
173.13245	15.3
175.07561	1.5
175.11186	3.1
177.09070	1.9
181.10121	1.2
183.11678	48.6
185.09688	1.3
185.13223	2.9
186.10374	2.1
187.07532	8.5
187.11172	7.2
189.09132	1.2
191.14308	1.0
193.10078	2.9
196.08813	2.0
196.10503	0.7
199.11125	1.3
201.12735	33.8
202.13351	0.7
203.10739	0.7
211.11169	11.2
212.11685	0.8
219.13782	12.9
227.10641	1.3
229.12221	100.0
230.12555	2.6
247.13280	26.8
255.93025	0.7
289.14270	5.8
299.92755	0.7
442.97897	0.6
485.23969	0.7
553.28430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01868	1.0
55.05502	1.6
57.07064	0.3
65.03937	1.2
67.05501	3.3
69.03421	1.2
69.07065	1.3
71.04982	0.7
71.63657	0.7
77.03887	0.4
79.05489	4.6
81.03415	0.8
81.07053	7.6
83.04991	0.5
83.08602	0.4
85.02875	0.4
85.06547	0.8
85.99741	0.3
91.05474	11.8
93.03436	0.4
93.07036	6.6
95.04961	2.3
95.08595	2.6
97.02906	0.3
97.06537	1.0
103.05446	1.7
105.04551	0.4
105.06296	0.4
105.07027	15.6
107.04942	1.5
107.08590	18.6
109.02878	0.5
109.06526	2.2
109.10152	1.1
111.04499	0.4
111.08035	0.5
115.05441	3.1
116.06239	1.3
117.07021	6.6
119.04938	0.7
119.06074	0.3
119.08576	6.6
119.09367	0.6
121.06496	3.8
121.10126	0.7
123.04410	1.1
123.08089	0.6
123.11784	0.4
128.06212	5.4
129.07002	8.5
130.07730	0.5
131.04909	1.1
131.08562	25.9
133.06487	2.4
133.10121	4.5
135.04369	0.9
135.08023	1.5
137.05968	0.8
138.33231	0.3
141.06990	5.7
142.07777	7.1
143.08553	16.1
144.05711	0.7
144.09349	2.3
145.06487	8.6
145.09039	0.4
145.10117	10.5
146.07188	0.4
147.04416	0.9
147.07993	1.8
147.11674	3.3
149.05991	2.2
149.09590	0.3
151.11208	0.5
153.06985	5.8
153.57732	0.3
154.07800	1.6
155.08540	13.2
156.09270	0.7
157.06439	0.5
157.10123	13.3
158.07304	0.9
158.10895	1.8
159.04439	1.9
159.08052	11.1
159.11684	9.9
160.08827	0.9
161.06007	1.9
161.09596	0.9
163.07494	0.6
165.07048	1.0
167.08549	2.5
168.09335	21.7
169.06473	0.5
169.10107	2.3
171.08051	2.2
171.11722	1.7
172.08873	1.3
173.05978	9.3
173.09625	3.9
173.13255	12.3
175.07532	1.1
175.11166	2.9
177.09126	0.7
178.07811	0.9
181.06537	1.0
181.10094	2.1
183.11685	44.9
184.12105	0.7
185.09666	0.6
185.13223	2.0
186.10429	1.4
187.07535	7.2
187.11143	5.4
187.45122	0.3
189.09105	1.3
191.10641	0.4
191.14468	0.4
193.10112	2.6
195.08069	0.6
196.08844	1.9
199.07556	0.3
199.11203	0.9
200.08211	0.5
201.09001	1.0
201.12744	31.9
205.12245	1.3
211.11172	10.5
211.13205	0.4
214.10019	0.4
215.10617	0.3
219.13792	10.5
227.10631	0.7
229.12225	100.0
230.12567	1.7
247.13272	14.3
265.14343	1.1
289.14331	8.6
338.57901	0.3
364.96902	0.4
383.57819	0.3
442.72128	0.3
535.26642	1.0
553.27808	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	553.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25692	2.2
55.01871	13.1
55.05512	10.4
57.03428	2.0
57.06826	1.7
57.07077	38.2
65.03930	2.4
67.05503	35.4
69.07075	11.2
69.45057	10.5
69.45480	8.3
70.25933	2.1
71.04996	2.4
71.08635	26.7
79.05494	13.5
81.03432	2.2
81.07063	26.2
83.04987	20.6
83.08611	13.8
85.02894	2.5
85.06548	2.5
85.10180	13.6
91.05482	9.3
93.07049	16.0
95.08603	27.9
97.06527	5.6
97.10192	5.1
99.04455	3.2
105.07035	6.2
107.08591	13.7
109.10156	27.6
111.04440	45.7
111.08092	13.1
113.74152	2.1
115.03928	15.4
117.07020	5.7
119.08589	9.8
121.06520	3.8
121.10139	21.6
122.74101	2.0
129.06975	3.2
131.08618	5.7
131.92206	1.9
135.08116	2.9
135.11693	19.4
145.10103	13.4
147.11681	4.2
149.09636	3.0
153.12735	14.3
155.08517	2.7
163.11183	38.2
173.09593	6.1
181.12250	34.2
191.10681	32.0
209.11774	22.2
227.12784	60.7
239.23839	7.1
241.14383	7.0
331.53702	2.2
553.40997	100.0
554.41125	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	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70803	0.4
52.12528	0.5
53.03947	2.4
55.01878	1.5
57.03446	0.8
58.06585	0.5
61.02905	0.5
63.95337	0.5
66.92139	0.5
67.05502	2.7
68.99789	2.2
69.03435	4.1
69.07058	1.5
69.75806	1.0
69.76217	2.5
70.06593	0.9
71.04988	2.2
71.27591	0.4
73.02928	0.9
74.85947	0.4
79.05495	6.9
81.03432	3.6
81.07056	100.0
82.07373	0.5
83.04965	0.5
85.02898	6.7
87.00821	1.3
87.04480	1.1
90.59499	0.5
91.05488	0.6
93.07042	0.7
95.04940	0.8
95.08601	8.8
97.02895	3.8
97.06543	3.1
98.21484	1.0
99.04458	1.6
101.02374	0.5
105.01880	0.8
105.07031	0.9
106.32389	0.5
107.08611	0.6
109.02888	5.5
109.10146	0.6
115.03944	1.3
127.03928	8.4
129.01871	0.6
132.08911	0.6
133.04965	2.0
137.06018	2.0
137.13254	26.8
143.03462	0.6
143.08554	0.7
145.04976	1.6
155.03368	2.9
155.08598	0.5
159.02922	0.7
167.07101	1.4
173.04494	1.5
183.02879	19.1
184.07362	1.2
184.12045	0.6
185.13258	0.8
186.13643	0.7
201.03938	2.5
213.02219	0.4
213.03920	2.8
219.05074	0.7
229.12288	1.1
230.12642	1.2
231.05083	0.8
233.11848	1.9
243.05080	1.1
261.06210	0.7
273.06226	1.5
327.07224	3.3
329.17502	0.8
345.08176	16.7
345.12256	1.1
350.07742	0.6
363.09207	9.6
363.13690	0.5
381.10486	1.3
491.30057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.1
56.05028	4.5
57.07060	3.4
60.04514	3.1
65.03937	1.4
67.05503	14.0
67.30476	1.1
69.07076	7.6
70.06569	2.5
71.08630	2.8
71.64574	2.6
75.91441	1.6
79.05482	9.4
80.05017	3.6
81.05786	1.8
81.07050	12.7
82.06570	8.1
83.08624	5.2
91.02532	1.4
91.05467	8.4
93.07034	10.2
94.06561	20.8
95.04986	1.8
95.07325	8.8
95.08595	9.0
96.08121	4.9
97.10188	2.8
105.07022	5.7
107.08586	5.3
108.08098	2.1
109.10131	2.4
119.08569	5.5
120.84896	1.2
121.10121	5.6
122.09691	2.2
123.11678	1.5
133.10115	5.1
135.11639	2.9
136.11157	1.3
148.69218	1.2
233.22627	5.2
245.22662	4.8
250.25299	11.2
262.25290	100.0
272.25763	4.4
280.26346	8.9
301.96625	1.4
504.47412	1.8
516.47589	5.4
534.48828	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	553.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38491	0.9
56.96557	6.2
58.99862	2.4
64.14448	0.9
66.50277	0.8
69.03446	2.1
69.74292	5.8
70.06609	1.0
71.04987	1.0
77.00896	1.5
81.03426	1.4
82.06558	1.1
82.99856	1.0
84.96044	2.4
85.02924	3.9
89.00896	0.9
97.02924	1.9
98.97594	4.9
101.00882	11.7
103.02416	1.3
106.74653	0.9
109.02867	2.0
112.99203	0.9
113.00884	2.1
115.02438	1.3
116.98624	2.5
119.01919	34.5
127.02405	0.8
127.03860	1.4
128.98622	1.9
131.00272	1.2
131.01915	11.1
133.03488	2.7
134.99773	0.8
135.04459	1.6
137.02974	3.7
137.05946	0.9
139.02396	1.4
141.03964	2.2
143.00153	1.0
143.01888	15.2
145.03485	9.7
146.99651	1.5
147.01361	2.0
149.02998	2.1
153.03923	1.0
155.01892	13.9
157.03461	8.6
159.05054	3.8
161.01399	1.6
161.02956	23.8
163.03787	5.5
167.01920	6.5
169.03519	2.8
171.05057	3.5
173.02953	24.0
175.03018	1.0
175.04472	4.2
177.06114	4.1
179.01936	2.7
181.03497	2.6
183.05016	9.6
184.04584	0.8
185.02953	42.2
187.02890	2.0
187.04550	4.1
187.08229	1.3
189.00722	1.8
189.04327	1.0
189.05960	1.1
192.78589	0.9
193.03653	1.2
195.05019	1.2
197.01274	1.7
197.02972	11.7
199.04512	15.9
201.00710	2.3
201.06076	9.2
203.02306	0.9
203.04027	18.1
203.05937	0.9
207.01797	1.0
208.04552	1.2
209.03046	2.4
210.94087	0.9
211.04495	1.1
213.04008	0.9
213.06030	2.1
214.95357	0.9
215.02217	3.6
215.04050	8.5
217.05484	1.9
219.01816	2.0
219.07047	1.3
221.03152	1.8
221.05086	4.5
223.04546	1.3
225.06056	2.1
226.05659	1.0
227.04018	35.4
228.94141	1.4
229.05673	1.5
233.03308	5.9
237.02826	2.3
237.06090	2.5
239.04021	3.3
239.06108	1.8
243.07135	1.1
245.05083	100.0
246.05289	2.7
246.95341	1.2
251.04242	3.0
253.05690	1.8
255.06981	1.0
257.05319	5.3
261.02948	1.4
263.06149	10.2
267.06949	1.0
268.06494	1.1
269.05106	3.8
270.95242	1.5
271.00507	1.8
271.03015	13.8
271.06000	1.5
275.06168	10.9
281.04962	2.1
283.06927	1.4
286.07712	1.4
287.06436	1.2
289.04019	28.7
293.07242	3.8
295.08762	1.3
299.06140	1.1
301.03842	4.6
305.07211	8.6
311.05945	1.8
312.05637	2.4
313.04034	1.0
319.05060	4.1
329.07373	6.1
331.05136	13.3
335.08258	3.1
347.06219	5.2
349.06180	2.5
355.05118	2.4
359.06555	3.0
363.00027	1.0
365.09436	7.4
373.06155	30.5
391.07196	47.6
392.07724	1.5
409.08429	1.9
433.08170	2.7
493.09680	1.2
516.17456	1.0
535.11334	2.0
553.12427	19.2
554.12317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75634	0.8
53.03958	3.5
55.01880	1.2
55.05510	17.7
57.03437	7.6
57.07078	44.1
59.05011	1.0
65.03930	1.7
67.05504	29.4
67.56615	0.8
69.03432	2.2
69.07063	14.8
71.04996	4.2
71.08630	30.6
75.00829	0.7
79.05496	16.7
81.03416	44.7
81.07054	37.2
83.04988	8.3
83.08617	23.5
83.28542	0.7
85.02908	21.6
85.06530	1.7
85.10182	16.2
91.05482	21.1
93.07042	11.7
95.04970	17.9
95.08601	27.8
97.02876	2.2
97.06526	1.9
97.10172	12.5
98.21514	1.6
99.08118	0.8
99.11732	1.7
105.04558	0.8
105.07024	15.9
107.04974	3.6
107.08570	4.9
109.06529	2.7
109.10159	13.3
111.04450	1.3
111.08070	8.4
111.11738	2.9
113.05996	1.8
115.05472	0.7
117.07032	1.9
119.08578	11.2
121.06493	1.8
121.10122	7.4
123.08088	1.6
123.11726	6.6
125.09657	1.1
125.13349	0.8
129.05583	0.8
129.07014	7.7
131.08589	7.6
133.06534	1.7
133.10106	6.2
137.13232	1.8
142.07790	1.8
145.10129	1.7
147.08112	0.8
147.11688	9.2
149.09656	3.4
151.14845	0.7
157.10118	8.5
165.12814	2.0
167.08592	0.8
175.11180	9.8
193.12251	46.3
201.16391	0.9
211.13290	52.6
212.13719	1.2
249.14871	1.3
249.25793	1.2
267.15878	5.4
267.26862	3.6
285.16977	1.0
341.30475	3.7
533.42218	2.9
551.43127	100.0
552.43384	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	552.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70803	0.4
52.12528	0.5
53.03947	2.4
55.01878	1.5
57.03446	0.8
58.06585	0.5
61.02905	0.5
63.95337	0.5
66.92139	0.5
67.05502	2.7
68.99789	2.2
69.03435	4.1
69.07058	1.5
69.75806	1.0
69.76217	2.5
70.06593	0.9
71.04988	2.2
71.27591	0.4
73.02928	0.9
74.85947	0.4
79.05495	6.9
81.03432	3.6
81.07056	100.0
82.07373	0.5
83.04965	0.5
85.02898	6.7
87.00821	1.3
87.04480	1.1
90.59499	0.5
91.05488	0.6
93.07042	0.7
95.04940	0.8
95.08601	8.8
97.02895	3.8
97.06543	3.1
98.21484	1.0
99.04458	1.6
101.02374	0.5
105.01880	0.8
105.07031	0.9
106.32389	0.5
107.08611	0.6
109.02888	5.5
109.10146	0.6
115.03944	1.3
127.03928	8.4
129.01871	0.6
132.08911	0.6
133.04965	2.0
137.06018	2.0
137.13254	26.8
143.03462	0.6
143.08554	0.7
145.04976	1.6
155.03368	2.9
155.08598	0.5
159.02922	0.7
167.07101	1.4
173.04494	1.5
183.02879	19.1
184.07362	1.2
184.12045	0.6
185.13258	0.8
186.13643	0.7
201.03938	2.5
213.02219	0.4
213.03920	2.8
219.05074	0.7
229.12288	1.1
230.12642	1.2
231.05083	0.8
233.11848	1.9
243.05080	1.1
261.06210	0.7
273.06226	1.5
327.07224	3.3
329.17502	0.8
345.08176	16.7
345.12256	1.1
350.07742	0.6
363.09207	9.6
363.13690	0.5
381.10486	1.3
491.30057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4245
Annotation	Anhydrolutein I
Peak:m/z	Relative Intensity
53.03954	3.7
53.76564	2.1
55.05503	16.8
55.13357	1.7
56.22685	1.9
57.07066	15.3
58.09426	1.8
64.35177	2.2
65.03934	3.3
67.05499	31.9
69.07063	16.8
70.91654	3.5
70.91997	4.3
71.08614	2.6
79.05494	20.0
81.07051	43.3
83.08599	9.9
85.06540	2.9
91.05473	36.7
93.07037	63.4
95.04971	6.9
95.08598	44.0
103.05480	2.3
105.04534	2.2
105.07021	68.1
107.08591	57.5
109.06528	2.7
109.10149	45.2
115.05454	4.4
117.07014	14.4
119.08571	100.0
121.10133	57.6
121.11012	2.9
122.83910	1.8
123.11690	15.4
128.06235	3.2
129.07004	10.8
130.07767	7.6
131.08559	28.8
133.10121	61.2
135.11674	41.0
137.09607	4.1
141.06981	4.6
142.07780	14.6
143.08548	27.6
144.09317	6.5
145.10115	70.0
147.11671	24.0
149.09618	2.6
149.13237	6.5
154.07768	2.3
155.08530	9.1
156.09357	9.8
157.10114	40.3
158.10913	3.7
159.11676	42.9
161.13246	13.9
163.11143	4.2
165.07043	2.4
167.08601	6.3
168.09335	3.6
169.10139	17.0
170.10948	6.0
171.11696	22.7
173.13258	22.7
175.14818	42.5
179.08508	5.0
180.09314	2.4
181.10120	8.9
182.10902	4.5
183.11685	16.4
185.13229	18.5
187.14825	14.4
189.16428	3.7
193.10143	8.9
193.12148	3.0
194.10898	6.1
195.11630	11.7
196.12488	3.8
197.13237	25.6
198.13805	2.2
199.14772	10.4
201.16324	15.3
205.15947	2.2
207.11717	8.4
208.12494	2.8
209.13177	15.8
210.13875	2.1
211.14807	16.7
213.16455	6.4
217.16118	2.0
219.11678	3.4
219.17538	4.9
220.12410	2.7
221.13251	8.7
223.14783	12.7
225.16356	6.1
235.14830	6.3
237.16463	6.0
239.17918	5.2
241.19551	6.3
244.12386	2.3
245.13258	2.4
247.14876	2.4
249.16336	3.6
251.17903	4.0
253.19456	5.2
255.20844	2.2
257.19138	2.4
259.14935	2.7
260.15540	3.1
261.16522	3.3
263.17960	4.7
265.19571	5.7
267.21140	5.1
271.20538	2.2
275.18079	3.8
277.19464	2.1
279.21234	2.4
283.20538	3.9
289.19397	2.4
291.21091	2.2
319.24240	2.8
333.25845	2.2
345.25592	6.5
349.25134	2.0
355.24719	2.4
357.25934	2.2
359.27350	2.1
429.31580	3.3
495.36130	3.4
499.64569	2.2
526.01666	2.3
533.41162	6.9
551.42511	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	551.1033
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.91772	0.2
53.03938	1.8
55.01874	1.7
57.02322	0.2
57.03426	1.2
61.02903	0.7
65.03882	0.2
68.99792	1.3
69.03429	6.5
69.03806	0.4
69.55668	0.2
70.06590	0.3
70.40495	0.4
70.40899	0.9
71.04984	0.8
73.02925	1.5
81.03416	7.6
85.02903	10.8
86.09705	0.2
87.00831	4.8
87.04482	0.3
91.03941	0.3
93.03381	0.3
95.04994	0.4
97.02896	3.6
98.13570	0.2
99.04448	2.1
105.01868	2.9
109.02876	6.9
111.00809	0.7
117.01816	1.2
121.02850	1.0
123.04433	0.3
127.03918	9.6
129.01785	0.6
131.04924	0.3
133.06516	0.3
135.04446	0.4
137.02336	3.1
137.05879	0.2
145.04970	2.6
147.02872	0.6
149.02275	0.2
153.01817	3.2
159.02888	4.2
161.06049	0.5
163.03912	0.7
165.01843	1.8
167.07089	0.5
173.05975	0.5
175.07547	0.2
179.10428	0.2
181.82620	0.2
183.02840	0.6
183.04434	0.4
187.03908	0.5
189.05258	0.2
195.02972	0.4
201.05496	2.1
205.04980	0.4
213.03864	0.3
221.24112	0.3
228.04118	0.3
229.04950	3.6
229.07079	0.4
231.04968	1.2
247.05998	0.7
257.04443	2.9
267.19638	0.3
274.04749	0.6
285.03888	1.5
285.75732	0.2
303.04984	100.0
304.05301	1.1
345.06033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
53.71142	0.9
55.01875	1.7
55.05503	2.9
57.03445	1.0
57.69968	0.9
58.99591	2.3
66.94614	1.0
68.05012	4.5
69.03426	1.2
69.07056	0.9
70.06550	1.1
70.80178	3.2
75.99352	0.9
76.04028	1.4
79.05493	3.1
80.05007	6.6
81.03428	1.5
81.07057	3.3
82.06562	5.8
84.04510	7.9
85.02913	1.0
85.06537	2.2
88.04020	1.9
91.05477	5.4
93.07034	3.2
93.63429	0.9
95.04968	0.9
95.08590	1.8
96.04485	13.0
97.01135	1.6
97.02924	0.9
98.00613	1.5
98.83088	0.9
105.07021	9.9
107.04982	1.0
107.08591	3.7
108.04493	10.7
110.06022	5.3
112.02193	3.4
114.03745	3.8
114.05514	1.6
115.05479	1.6
116.01677	1.8
117.07026	4.6
119.08617	4.5
121.02887	1.2
123.04407	1.2
124.03955	4.7
124.68231	0.9
125.00661	1.2
126.03757	1.2
126.05510	3.0
128.06219	8.2
129.07011	10.8
130.39479	1.1
131.08562	14.3
133.10118	3.5
136.03946	14.8
137.05971	2.4
137.07091	5.9
140.01634	5.3
141.06995	4.9
142.03224	18.6
142.05020	2.3
142.07773	14.7
143.08563	25.8
143.09691	1.7
144.09322	3.0
145.06467	2.4
145.10124	7.5
145.73708	0.9
147.11656	2.2
149.04221	0.9
153.06998	5.1
154.03197	4.2
154.07762	1.2
155.08540	11.2
156.09286	3.3
157.10127	36.0
159.08064	3.2
159.11766	5.7
161.04207	1.8
161.09634	1.1
165.06691	2.1
166.03195	1.5
167.07077	1.3
167.08543	1.7
168.09334	21.4
169.10100	4.4
170.02716	6.6
170.10907	5.2
171.08017	1.5
171.11720	2.4
173.05984	2.2
173.13237	5.0
175.05692	1.5
175.11235	4.6
181.10115	3.7
183.05986	1.5
183.07675	2.1
183.11687	51.1
184.12251	1.4
185.04207	1.1
185.13254	80.5
185.68507	0.9
186.13718	1.5
187.05841	2.3
187.07489	2.1
187.11188	4.1
189.07455	1.5
189.09074	1.2
191.08737	1.1
193.06026	2.4
193.10181	3.5
196.08846	1.2
199.05672	1.3
199.11215	2.5
201.07368	1.4
201.12711	12.1
203.14246	2.1
207.11786	1.3
211.07143	32.7
211.11151	5.9
215.08879	4.7
215.10706	1.0
227.04971	1.6
227.10718	1.4
229.12231	100.0
230.12593	2.0
241.10439	4.1
243.04131	1.8
245.05998	1.9
247.13300	4.4
259.11322	2.0
269.09967	3.1
287.10989	5.9
295.79340	0.9
351.92813	1.0
352.13821	1.3
370.14606	2.3
388.15778	4.6
389.49149	1.2
390.14291	1.0
420.72510	0.9
448.18039	1.7
455.16238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91946	5.5
55.05506	6.9
57.03431	12.0
67.05494	16.0
69.03419	29.6
69.07058	10.9
70.06580	8.5
70.25404	26.4
78.99907	5.7
79.05485	15.3
81.03411	10.6
81.07047	35.9
85.02911	32.2
87.04450	9.6
91.05474	25.9
93.07034	21.9
95.04982	30.2
95.08625	31.3
97.02884	18.9
97.06509	13.5
97.10136	6.6
105.07052	53.9
107.08591	34.3
107.12564	5.8
109.06514	13.4
109.10149	28.5
112.39633	5.9
115.03938	11.7
117.07055	6.3
119.08556	30.2
121.10143	13.1
123.53927	6.8
127.03898	8.7
129.10324	6.4
131.08563	16.6
133.04958	9.9
133.10103	31.8
135.11700	12.4
137.05962	72.7
137.09538	11.7
143.08549	7.6
145.10136	44.4
147.11676	29.0
149.09590	7.1
159.08078	9.3
159.11722	24.6
161.05905	9.2
161.09584	7.6
161.13274	100.0
163.03885	10.0
163.14853	8.6
167.07016	34.2
171.11697	7.1
173.13248	18.5
175.14807	10.9
181.04903	8.5
183.11690	9.9
185.13171	12.8
187.14735	12.1
193.08565	8.2
199.14737	11.1
201.16385	54.5
203.14259	11.2
203.18163	5.5
211.14696	6.3
215.17831	6.4
219.17447	85.3
225.16386	8.5
237.18481	85.5
243.17487	22.0
259.09503	7.1
261.18445	19.1
293.17368	29.1
297.18463	7.7
333.20612	24.0
339.11932	8.0
351.21680	21.8
387.14084	12.4
414.62299	6.4
505.22092	10.1
549.20593	44.6
565.40063	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	549.1237
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02390	0.1
53.03941	1.3
55.01864	1.3
56.77571	0.1
57.03432	0.8
57.26446	0.1
57.89822	0.1
59.61542	0.1
61.02915	0.7
67.36654	0.1
68.99776	0.7
69.03423	5.0
69.83738	0.4
69.84146	0.2
71.04986	0.6
73.02917	1.0
79.05480	0.2
81.03413	5.6
83.01337	0.2
85.02898	7.7
87.00822	3.4
87.04424	0.2
91.03948	0.4
95.04954	0.3
97.02883	2.7
97.06551	0.2
99.04448	2.0
101.02331	0.1
105.01862	1.8
105.03366	0.1
107.04954	1.2
109.02870	4.3
111.04408	0.1
117.01873	0.9
121.02856	1.9
123.00755	0.1
123.04406	0.4
124.01553	0.5
125.02328	0.3
127.03905	6.4
128.65115	0.1
129.01819	0.4
133.02849	0.3
135.04419	0.1
137.05928	0.2
139.03856	0.2
141.05403	0.1
145.04948	1.6
147.02882	0.4
147.04390	0.3
151.03889	0.6
159.02878	2.7
161.05934	0.1
167.03391	2.5
167.07001	0.1
179.03423	0.9
184.05220	0.2
189.09250	0.1
195.02719	0.1
197.04440	0.4
197.06076	0.1
199.07532	0.2
203.07076	0.1
211.07501	0.2
212.04709	0.3
213.03827	0.1
217.08664	0.1
227.07021	0.8
231.04932	0.6
240.04146	0.2
245.08107	0.4
255.06490	0.4
257.04398	0.5
258.05219	5.1
272.06680	0.7
273.07632	0.2
286.04697	4.2
301.07034	100.0
302.07410	1.1
343.07965	0.2
460.16794	0.1
478.16025	0.1
491.85889	0.1
531.22021	0.2
532.18604	0.1
549.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01870	3.1
55.05261	2.9
55.05509	33.1
57.03424	7.4
57.07070	6.6
58.82098	2.1
65.03935	2.0
67.05501	55.2
69.03416	3.0
69.07062	34.6
71.04977	3.2
71.08618	5.4
71.09020	1.8
71.63425	1.8
71.63821	2.3
75.37624	1.6
79.05492	31.0
81.03415	39.3
81.07052	51.9
83.04982	7.2
83.08620	30.8
85.02895	18.4
85.06530	2.6
85.10173	2.2
91.05475	25.9
91.06837	1.9
93.07041	25.2
95.04975	18.7
95.08601	41.8
97.06531	4.6
97.10177	17.5
105.07027	17.5
107.04964	4.2
107.08599	19.2
109.06521	4.7
109.10150	25.0
111.08076	9.3
111.11707	4.8
113.05976	2.8
117.07014	3.4
119.08585	16.1
121.10126	17.1
123.11710	4.8
125.09628	2.3
129.06982	8.3
131.08601	8.7
132.38901	1.6
133.06508	1.9
133.10138	12.8
135.11639	9.6
137.09549	1.8
138.04103	2.0
142.07826	2.8
143.08524	2.1
145.10100	5.2
147.11684	10.2
149.09657	3.7
149.13354	3.4
151.11182	4.3
151.14909	2.6
157.10179	8.9
159.11725	2.7
159.34807	1.7
159.78572	1.8
163.14789	2.7
165.12776	2.1
165.16267	1.9
171.11647	2.1
175.11214	12.4
187.87595	1.9
193.12247	44.3
197.79196	1.6
201.16469	2.0
211.13268	43.9
233.54346	1.9
247.24246	3.7
253.14404	7.3
261.22055	3.3
265.25357	5.6
267.15994	5.9
271.15399	3.6
293.17371	3.0
313.27670	2.1
317.24902	2.5
339.28961	5.3
527.39154	1.9
531.40210	6.8
549.23273	2.9
549.41479	100.0
550.41364	2.0
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 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03932	0.9
57.03424	0.6
59.50484	0.4
69.03124	0.4
69.03424	4.0
69.60999	2.5
69.61412	0.5
71.04977	0.5
81.03415	3.2
81.07050	0.7
83.61349	0.3
84.39212	0.3
85.02893	4.7
86.09736	0.6
87.00817	2.4
87.04440	0.4
91.05490	0.7
95.04955	0.8
97.02885	6.3
97.06524	0.9
99.04435	1.5
100.40521	0.3
103.05474	1.0
105.01836	1.5
105.03374	0.4
105.07050	0.6
107.04941	1.3
109.02893	0.7
109.80447	0.3
117.07017	0.4
118.56821	0.3
119.08605	0.5
121.02846	2.5
121.69879	0.4
124.01510	0.5
127.03915	3.8
131.04927	1.8
133.02792	0.8
137.05975	3.6
141.05428	0.5
141.07039	0.4
145.04947	1.2
145.06570	0.4
147.04373	1.0
151.03830	1.8
161.05891	0.6
167.03407	2.6
167.07021	0.8
175.07738	0.4
179.03392	1.1
184.05328	0.4
184.07291	0.9
191.07068	0.9
212.04785	0.5
227.07071	1.4
231.04979	0.7
233.12775	0.3
255.06407	0.5
257.04251	0.5
258.05240	7.1
262.51343	0.4
272.06757	0.8
286.04724	4.6
297.11111	0.4
301.07047	100.0
302.07327	1.6
517.18506	4.0
531.21674	0.5
549.23065	3.0
575.64966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02361	0.1
53.03942	1.3
55.01865	1.3
57.03435	0.9
57.57459	0.1
59.04976	0.1
61.02919	0.8
67.05520	0.1
68.99778	0.8
69.03424	5.2
69.03800	0.3
69.53556	1.0
71.04993	0.5
73.02909	1.2
79.05466	0.1
81.03412	6.2
81.07047	0.2
85.02899	7.9
87.00822	3.8
91.03939	0.3
94.95887	0.1
95.04975	0.3
97.02888	3.0
99.04446	1.6
105.01856	2.0
105.03410	0.2
105.06998	0.1
107.04953	1.1
109.02874	4.7
111.04414	0.1
115.03942	0.1
117.01843	0.8
121.02846	2.2
121.03712	0.2
123.00774	0.2
123.04376	0.4
124.01538	0.4
125.02316	0.4
127.03910	5.5
129.01826	0.5
129.06929	0.1
131.03751	0.1
133.02843	0.2
134.03659	0.2
135.04419	0.2
137.05995	0.2
137.91200	0.1
139.03960	0.1
141.05496	0.2
145.04956	1.6
147.02878	0.3
147.04425	0.3
151.03925	0.7
159.02884	2.9
167.03395	2.6
167.06975	0.2
175.07547	0.1
179.03401	1.1
184.05212	0.3
185.05934	0.1
191.03348	0.1
196.05321	0.1
197.04449	0.4
199.07535	0.4
212.04675	0.4
213.03839	0.2
217.08456	0.1
227.07031	0.9
231.04951	0.8
240.04163	0.1
241.04962	0.1
245.08142	0.5
255.06516	0.5
257.04465	0.8
258.05228	5.6
272.06851	0.8
273.07532	0.3
286.04703	4.5
301.07040	100.0
302.07391	1.7
343.08157	0.2
380.10410	0.1
479.21362	0.1
505.20590	0.1
549.22479	0.5
566.44995	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	548.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62328	1.2
52.67775	1.3
53.03937	4.7
55.01862	2.3
56.76370	1.5
57.60918	1.2
61.01156	2.1
66.00412	1.1
67.05502	5.9
69.03410	2.2
69.07068	2.2
70.79379	2.7
70.95010	1.5
71.04641	1.5
71.04991	8.6
73.02911	1.4
77.00657	1.7
79.05502	3.8
80.58615	1.3
81.07056	3.0
83.04989	2.0
85.02916	2.1
85.06536	4.5
91.05481	4.6
93.07029	3.3
95.04980	4.9
95.08596	2.6
97.06535	14.8
97.26161	1.2
98.06805	2.7
103.05432	2.4
105.07038	14.7
107.08597	3.9
109.10220	1.9
111.24119	1.2
115.05454	2.4
117.07011	5.5
119.08595	4.6
123.08061	1.4
128.06203	7.9
129.07028	9.0
131.08566	14.3
131.64778	1.2
133.04965	5.7
133.10132	2.5
137.05986	2.4
141.07007	4.9
142.07780	10.9
143.08560	28.3
145.06459	3.5
145.10107	9.6
147.04425	1.7
147.11732	2.0
153.06984	5.2
154.07733	1.6
155.08543	13.4
156.09344	2.5
157.10132	43.1
158.10507	1.7
159.08044	5.0
159.11728	7.9
161.04222	2.3
161.05975	2.2
161.09648	2.6
163.05795	1.6
165.07082	2.5
167.08542	2.2
168.09335	24.0
169.10115	5.0
170.10870	1.6
171.08105	2.4
171.11644	3.6
173.05956	2.9
173.13252	7.2
174.06635	1.3
175.05786	5.0
175.11194	13.1
177.07336	2.0
181.10091	6.5
183.11699	71.5
184.12384	3.6
185.09703	1.9
185.13272	15.6
186.04890	1.9
187.05821	2.6
187.07474	2.1
187.11194	3.9
189.02193	2.1
189.07394	2.2
189.09090	4.8
191.07060	1.6
193.10190	2.0
195.11728	2.1
196.08693	2.3
196.12517	1.8
199.05923	1.4
199.11218	4.3
200.06572	1.8
201.07426	2.1
201.12738	26.5
203.08937	2.0
211.11168	7.7
215.08913	6.7
217.12270	2.2
229.10486	5.5
229.12262	100.0
230.12563	3.2
233.09966	1.7
247.11256	2.2
247.13411	3.9
257.10062	3.7
260.10065	1.9
265.12415	3.0
275.10941	9.3
284.13763	1.7
293.08636	1.2
293.11966	3.1
300.08655	3.7
311.12802	1.9
321.11536	6.6
328.16455	1.7
353.14117	4.1
355.15497	3.8
356.15710	10.5
364.21503	1.5
374.16672	3.0
389.14105	2.6
407.15283	4.4
417.13989	1.4
435.14688	5.0
453.15717	20.7
493.84824	1.5
517.18146	2.4
548.20599	10.1
549.22296	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	547.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01855	2.9
57.47261	0.6
65.03926	0.8
67.05489	2.3
69.03424	1.0
69.07045	1.9
70.33548	0.8
70.59532	1.9
70.59894	1.3
76.21463	0.6
79.05484	4.9
79.93134	0.6
81.03385	0.7
81.07041	1.2
82.61411	0.7
83.04974	1.6
89.03928	1.4
91.05450	3.8
93.03357	0.8
93.07022	0.9
95.04990	4.0
97.05923	0.9
97.06528	12.8
103.05473	5.4
105.07030	25.6
107.04931	2.2
109.10112	0.7
111.04440	0.7
115.05463	6.4
116.06222	1.3
116.10691	0.7
117.03343	0.8
117.07017	1.5
118.04163	2.8
119.04932	4.3
121.06482	1.9
123.04410	1.1
131.04919	6.1
131.08669	0.8
132.05754	0.8
133.02875	3.4
133.06485	20.1
134.07283	1.6
135.04399	2.2
135.07953	0.8
137.05957	3.8
139.56766	0.8
143.04881	1.7
143.05936	0.8
143.86818	0.6
145.02844	1.5
145.06453	4.1
146.03613	1.3
147.04419	6.3
147.07999	1.2
149.05962	1.3
150.06734	1.3
151.07518	4.3
155.04890	1.0
159.04395	0.9
161.05981	8.9
162.06783	0.9
163.03920	8.9
163.07564	2.7
165.05460	2.9
165.06744	0.7
165.09091	2.8
166.02603	0.7
167.07048	15.4
167.08408	1.1
173.05975	4.5
175.07483	1.3
177.05470	2.2
177.09076	1.2
178.06268	5.9
179.06992	10.2
181.04929	5.4
183.04475	1.0
187.02248	0.8
187.03893	12.7
188.04700	4.6
189.05426	2.8
192.07986	0.8
193.08607	41.6
194.09381	100.0
195.08047	1.3
195.09865	1.6
199.07587	1.6
201.03725	1.3
201.05464	14.8
202.07700	0.7
206.07356	1.0
211.07500	0.7
213.09210	1.4
215.07077	1.0
217.08597	0.9
221.05891	0.9
223.07532	0.7
225.09073	1.0
232.79124	0.7
234.06717	1.9
235.07491	2.2
241.08589	0.8
241.12253	0.9
249.09291	0.7
251.07014	0.7
253.08597	0.8
259.09637	2.1
262.06216	1.2
263.07013	1.9
265.12228	0.8
276.07785	1.3
277.08438	3.4
279.06525	0.8
280.07275	10.8
281.08063	1.6
283.13214	0.9
287.12964	0.8
295.09653	6.2
304.07132	0.9
305.08118	1.6
309.14810	1.6
311.12906	1.4
313.10764	1.4
313.14417	1.4
322.08203	1.2
323.08893	1.2
327.12244	0.9
327.15866	1.5
337.10641	3.0
337.14279	1.4
355.11707	71.3
355.15427	7.0
356.12131	1.9
373.16476	2.0
449.25867	0.7
547.20520	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	547.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.01864	5.8
55.05504	16.0
56.03468	1.4
57.03433	12.5
57.07076	3.6
65.03950	2.1
66.06214	1.6
67.05500	67.5
69.03423	3.8
69.07061	17.3
71.04987	8.7
71.64791	1.8
77.03931	1.9
79.05489	39.2
81.03407	4.2
81.07050	60.8
81.07518	3.6
83.04980	10.9
83.08615	5.2
85.02918	2.1
85.06543	8.4
86.33742	1.7
88.85962	1.4
91.05472	75.1
93.07036	45.5
93.81405	1.5
95.04970	8.6
95.08604	23.1
96.32221	1.5
97.06524	5.2
97.10181	2.1
99.04469	3.0
99.08032	1.6
103.05448	2.4
105.07025	75.8
107.07852	3.4
107.08581	48.1
107.09290	3.0
109.06511	5.3
109.10141	65.1
111.08047	1.8
113.05972	2.8
117.07004	11.5
119.08573	37.1
121.10133	15.2
123.08089	4.1
123.11700	13.1
127.07587	2.6
128.06169	1.8
129.07002	7.9
131.08560	17.1
133.10121	100.0
135.08089	1.8
135.11691	15.2
142.07780	2.5
143.08539	8.1
145.10133	16.8
147.11673	31.7
149.09660	2.2
149.13222	7.9
151.11171	41.7
151.12340	2.7
157.10135	4.7
159.11687	14.8
160.21597	1.9
161.09631	2.5
161.13249	29.9
163.11356	1.6
163.14832	3.3
169.10074	1.7
169.12195	10.1
171.11682	8.2
173.13229	11.2
175.14812	13.0
183.11765	1.9
185.13269	8.4
187.14839	3.9
192.42879	1.8
199.14886	4.1
203.14264	3.0
213.16466	4.4
215.12825	3.2
215.17924	2.1
217.19621	1.9
231.17514	2.0
231.21089	5.0
241.19473	33.3
243.21194	1.8
253.11676	3.6
253.14328	74.1
259.20544	60.8
259.23322	1.9
269.11340	2.6
271.15378	56.4
275.19965	2.3
277.21625	5.5
315.23270	6.6
329.13535	7.1
333.24210	32.9
351.25415	2.4
437.30511	3.2
455.31506	4.7
474.35165	1.8
511.34137	8.0
529.35156	21.4
547.38220	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
55.01855	16.7
55.05502	37.9
57.03433	35.9
67.05506	67.0
69.03400	11.6
69.07047	23.3
71.04976	18.3
71.65085	10.3
73.02907	8.7
76.42890	5.3
79.05495	57.4
81.02976	7.4
81.03414	100.0
81.07047	64.1
83.04967	40.0
83.08606	38.4
85.02398	5.3
85.02892	28.7
91.05478	68.7
93.07042	41.2
95.04958	52.0
95.08607	32.6
97.06522	14.8
97.10158	22.0
99.08009	5.7
105.07016	40.7
107.04949	19.5
107.08573	24.6
109.06510	13.8
109.10155	19.1
111.04426	6.0
111.08067	18.7
116.04700	14.2
117.07037	7.6
119.08581	30.2
121.10123	25.4
123.08072	9.7
124.40347	6.4
125.09615	22.7
127.07619	5.9
129.05449	26.7
129.06981	13.1
131.08549	26.3
133.10088	16.0
135.11661	6.5
143.07062	8.6
145.10097	15.3
147.11671	21.1
149.09497	8.2
157.08595	16.8
157.10094	22.5
163.11215	10.8
175.11143	21.9
189.11226	7.4
193.12204	77.8
195.07956	6.7
199.13266	16.1
209.11635	7.1
211.13275	82.8
227.12782	10.2
227.83598	6.4
248.34927	5.7
267.15854	17.9
285.16922	64.0
301.16458	62.2
331.26431	8.5
405.29764	28.4
493.27670	15.7
511.28870	34.3
565.57507	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	547.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01865	3.8
55.05498	1.9
61.02900	0.9
65.03916	1.3
65.38297	1.1
67.05510	6.3
68.00597	1.1
69.03418	2.3
69.07040	2.2
69.53913	6.9
69.54344	2.2
70.06559	1.2
79.05493	11.4
81.07046	1.6
83.04979	3.1
85.02885	2.3
89.03931	1.2
91.05467	4.7
93.06973	1.1
95.04975	10.7
95.08609	2.7
97.06531	41.9
98.21520	2.2
103.05473	7.0
104.20595	0.9
105.07029	32.2
107.04955	1.7
111.04481	1.3
115.05473	7.6
116.06242	2.6
117.03371	2.2
117.06987	1.5
118.04145	4.1
119.04939	4.7
121.06504	3.1
123.04449	1.5
129.07005	1.3
131.04893	6.2
133.02849	4.3
133.06502	20.8
133.10109	1.1
134.07231	2.1
135.04413	3.4
137.05917	5.0
139.52319	1.0
143.04971	2.1
143.06042	1.8
143.08528	1.4
144.05785	1.0
145.02797	1.5
145.06516	1.5
146.03622	1.4
147.04411	7.2
147.08038	1.0
149.05952	1.5
150.06721	2.1
151.03833	1.2
151.07541	4.9
155.87134	1.0
159.04417	1.3
159.11809	1.1
161.02371	2.1
161.05972	11.2
163.03918	13.7
163.07535	3.3
165.05513	5.5
165.09108	2.9
167.07036	11.6
167.08427	2.2
169.79645	1.1
171.08022	1.3
173.06029	3.2
174.06772	3.4
175.07516	2.5
177.05463	4.7
177.09177	1.1
178.06203	5.1
178.07651	1.3
179.07043	8.6
179.08421	1.9
181.04994	4.8
181.06407	1.4
181.08611	1.0
183.08125	1.2
185.05983	2.1
185.09618	2.2
187.03931	10.0
187.07536	2.1
188.04694	3.6
189.05411	1.6
189.09097	3.0
193.06827	2.3
193.08603	42.3
194.09381	100.0
195.08049	3.9
199.07590	2.8
201.05496	12.9
205.06627	1.6
205.08401	1.0
206.07199	1.5
207.08208	1.5
211.07654	1.3
213.09091	6.0
217.08528	1.1
220.05153	1.0
221.05910	1.2
223.07458	1.3
231.10153	2.4
233.06003	2.1
234.06798	3.6
235.07516	2.5
237.09143	1.1
241.08571	3.2
241.12228	1.8
249.09081	3.7
251.06966	1.3
252.07956	0.9
255.10269	2.4
259.07227	1.5
259.09811	6.8
261.05453	1.6
262.06226	3.0
263.07013	3.7
275.07086	1.1
276.07755	9.5
277.08649	5.5
279.06458	1.6
280.07101	3.0
283.13364	2.2
285.14774	2.1
294.08868	3.1
295.09711	3.0
299.12558	2.5
301.14172	1.1
304.07318	1.8
305.07983	3.8
307.05948	1.6
309.14844	4.8
311.12683	3.0
311.16177	1.5
312.09698	1.2
313.14435	2.0
322.08234	3.3
327.15793	2.8
337.10696	21.6
337.14413	3.4
354.51578	1.1
355.11694	72.2
355.15512	21.5
373.16418	8.5
529.20233	3.5
547.20758	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63446	1.7
53.03942	5.2
55.01866	7.6
55.05508	44.8
57.03431	10.5
57.07066	7.5
59.05009	2.1
61.33071	1.7
65.03938	4.4
65.62060	1.7
67.05502	76.1
69.03439	5.7
69.07063	26.2
71.04981	5.9
71.08622	5.3
71.52750	1.8
71.64637	2.8
79.05494	57.3
80.15285	1.7
81.03414	24.6
81.07053	74.7
82.07384	2.0
83.04979	6.8
83.08619	27.6
85.02900	4.1
85.06544	7.5
91.05481	53.5
93.07042	52.9
95.04963	23.8
95.08602	49.8
97.06525	5.2
97.10156	22.8
99.08083	5.4
105.07027	49.2
107.04968	11.4
107.08583	34.2
109.06509	7.1
109.10158	22.2
111.08078	6.8
115.05489	4.1
117.07009	22.9
119.08585	32.5
121.06517	6.0
121.10129	22.9
121.10905	2.1
122.43082	1.8
123.08098	5.8
123.11736	8.6
125.09610	15.4
128.06250	5.0
129.07004	17.3
131.08566	36.5
133.06519	4.1
133.10124	30.0
135.08076	8.2
135.11674	17.5
137.09607	3.2
137.13239	3.2
141.06947	4.9
142.07814	4.2
143.08549	15.8
145.06516	4.3
145.10126	27.2
147.08093	4.3
147.11659	18.5
149.09647	6.3
149.13300	7.2
151.11174	3.1
155.08574	8.4
157.10143	18.2
158.10811	1.8
159.08073	5.2
159.11691	16.6
161.09633	3.3
161.13274	10.2
163.11145	3.8
163.14816	6.6
167.08551	3.0
169.10165	5.7
171.08047	2.6
171.11641	12.1
173.09608	2.9
173.13242	13.6
175.11183	6.0
175.14867	5.6
177.12749	2.9
181.10120	3.7
183.11707	8.5
185.09673	2.7
185.13315	9.1
187.11130	3.2
187.14865	9.0
189.11192	8.5
189.12733	2.6
189.16380	2.5
191.14438	2.8
193.12204	11.1
195.11710	3.7
197.13271	7.8
199.14912	6.9
201.16432	5.9
203.17900	3.6
207.11748	2.9
211.13159	2.6
211.14911	4.8
213.16454	4.9
215.14369	3.4
221.13289	2.8
223.14867	3.9
224.62547	1.8
225.16507	3.6
227.12819	10.3
235.14906	2.5
241.19527	2.4
243.21121	9.2
259.20660	2.2
261.18445	3.0
261.22180	15.3
267.15875	27.8
267.20953	2.2
269.17221	2.4
277.21832	3.2
279.23169	3.6
285.22177	3.9
297.18576	2.4
299.23737	6.4
301.25201	15.1
303.23187	3.3
317.24811	5.3
318.08490	1.9
333.24442	2.0
335.25882	19.3
355.26462	2.6
359.25790	2.8
417.31561	6.1
421.25897	2.4
425.34143	2.7
435.32642	17.7
453.33493	24.5
471.34698	14.3
485.21545	6.4
509.36288	6.2
517.38879	2.5
527.37323	77.4
528.37701	2.4
545.38293	100.0
546.38519	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01860	3.6
55.05510	15.5
57.03427	2.7
57.07067	1.3
65.03944	1.5
67.05505	24.9
69.03423	1.2
69.07068	7.5
69.59862	7.5
71.04996	2.1
71.08631	1.4
79.05494	18.3
81.03430	7.7
81.07057	19.9
83.04974	2.6
83.08616	7.9
85.06539	1.4
86.52069	0.8
91.05470	20.9
91.06001	1.3
93.07039	13.3
95.04953	7.1
95.08598	13.7
97.06517	3.2
97.10185	5.5
98.20736	1.3
99.08094	1.2
103.05463	1.2
105.07033	16.2
105.07686	1.7
107.04969	3.2
107.08589	11.2
109.06550	2.4
109.10160	9.4
111.08092	2.8
115.05444	2.6
117.07018	10.7
119.04948	1.2
119.08566	10.8
121.06537	2.8
121.10122	4.8
123.08080	1.3
123.11700	1.9
125.09628	5.3
128.06209	2.6
129.07007	9.2
131.08574	14.4
133.06494	2.3
133.10133	7.9
135.08075	1.7
135.11681	4.3
137.89391	1.0
141.07033	2.8
142.07808	2.1
143.08534	8.1
145.06508	3.1
145.10115	11.8
147.08078	1.9
147.11705	6.4
149.09692	1.4
149.13274	2.2
151.11278	1.3
154.07933	1.2
155.08568	5.1
157.10146	7.5
159.08087	3.2
159.11678	9.3
161.09625	1.9
161.13242	3.2
163.11208	1.8
165.12708	1.0
167.08553	2.4
169.10117	7.0
171.07968	1.7
171.11649	7.0
173.09627	2.9
173.11858	1.7
173.13155	4.7
175.11162	1.4
179.08568	1.1
179.14369	2.9
181.10130	2.2
183.11603	4.4
185.09668	2.2
185.13275	5.6
187.11221	1.8
187.14804	2.5
189.11217	2.3
189.12755	1.0
193.12321	2.5
195.11749	2.9
197.13258	4.7
199.11203	2.0
199.14825	2.7
201.12747	1.2
201.16438	1.1
209.13327	2.3
211.14966	1.6
213.16371	1.0
216.07611	1.5
217.08234	1.0
217.19560	1.0
221.13388	1.4
223.14868	3.1
225.16626	1.5
227.12820	1.4
237.16565	0.9
241.15854	1.2
241.19522	1.6
259.20651	3.5
265.19653	1.0
267.16003	2.6
271.20657	1.0
277.21704	2.9
283.20538	2.2
297.22247	2.2
299.23822	2.9
301.21826	1.2
315.23187	1.4
325.21609	2.2
339.23260	1.5
357.24048	1.7
391.25497	1.0
396.96176	1.0
405.31775	1.3
415.29871	2.0
423.32315	2.2
433.30975	6.7
451.32181	9.3
469.33075	4.5
507.34851	1.9
515.37000	3.0
525.35828	17.4
543.36847	100.0
544.37354	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	544.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47004	5.5
55.01864	6.3
55.05515	33.6
57.03439	6.2
57.07075	7.0
65.03916	6.0
67.05507	65.7
68.05856	6.6
69.07073	39.0
71.14655	10.5
71.14973	8.6
74.44469	5.8
75.26381	6.7
79.05494	42.0
81.03417	12.0
81.07057	100.0
83.08624	19.3
85.06535	16.9
85.41895	5.7
91.05488	52.9
93.07045	86.6
95.04998	12.1
95.08605	53.2
97.06532	11.4
97.10135	6.4
105.07021	74.5
106.07294	5.4
107.08591	68.2
109.10160	57.0
117.07019	26.0
119.08586	47.2
121.06498	5.8
121.10114	37.8
123.11718	26.2
125.09648	17.1
128.06247	8.5
129.07007	20.1
131.08565	47.3
132.08833	10.3
133.10100	40.8
135.11707	74.6
137.13213	6.7
139.11211	6.4
141.06976	10.1
142.07788	11.7
143.08525	32.6
145.10106	47.7
146.10449	6.7
147.08092	5.9
147.11726	33.9
148.12090	7.4
155.08557	28.8
156.09322	9.0
157.10100	39.6
159.11705	45.3
161.13264	13.4
163.11163	7.6
167.08592	7.0
169.10103	28.2
171.11684	27.7
173.09651	6.9
173.13248	18.9
175.11243	12.0
181.10118	17.7
182.10796	7.2
183.11710	33.9
185.13240	12.5
186.57114	6.1
187.11130	7.6
192.09225	8.3
193.10085	12.9
195.11693	22.3
197.13301	17.9
199.11156	6.9
199.14816	14.0
201.16238	11.2
205.10046	7.9
206.11057	7.5
207.11697	15.4
209.13310	18.3
211.14897	13.4
213.16287	7.8
219.11742	10.8
221.13237	14.8
223.14842	19.3
229.19560	6.3
235.14841	11.2
237.16280	12.1
239.18060	8.1
241.19768	7.4
249.16321	9.9
251.17999	9.8
261.16455	8.0
263.18045	12.7
267.17374	6.1
275.17914	8.1
277.19482	8.7
281.19016	10.1
293.19107	6.1
295.20309	6.9
353.24734	5.7
403.30130	15.9
431.29489	11.3
434.31427	7.1
452.32339	8.1
526.36139	21.0
544.37073	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03941	7.3
55.01865	8.0
55.05509	30.9
57.03434	11.8
57.07074	4.1
65.03932	4.7
67.05502	70.7
69.03425	4.3
69.07061	22.1
70.77430	3.9
70.77799	3.5
71.04997	6.9
71.08610	2.8
78.47954	1.8
79.05488	66.4
79.83941	1.7
80.05820	3.1
81.03417	39.0
81.06571	4.1
81.07052	75.3
83.04976	8.0
83.08613	24.5
85.02914	19.3
85.06535	3.1
91.05479	60.3
93.07040	58.8
95.04962	26.5
95.08599	44.9
97.02885	2.0
97.06539	11.7
97.10172	11.4
99.08099	3.1
105.07027	41.4
107.04950	8.4
107.08594	37.2
109.06522	7.2
109.10146	24.9
111.08058	13.4
112.58942	1.6
115.05474	2.5
117.07018	14.3
119.08578	33.5
121.06512	3.4
121.10129	28.3
123.08070	3.8
123.11719	6.9
125.09653	7.9
129.06996	9.5
131.08566	25.1
133.06493	5.1
133.10121	22.4
135.11705	16.3
141.07034	2.1
142.07808	2.1
143.08559	6.3
145.10110	15.5
147.08017	4.7
147.11667	17.3
149.09587	8.9
149.13266	9.8
151.11217	2.6
155.08554	3.0
157.10133	11.9
159.11702	12.8
161.13260	6.5
163.11168	3.8
163.14853	3.1
165.05473	8.8
165.12807	6.3
169.10112	4.7
171.11734	6.1
173.13312	8.3
175.11198	9.8
175.14850	3.8
177.12807	3.2
179.14293	3.1
181.10074	3.4
183.11664	3.0
184.07280	2.1
185.13243	4.2
187.07524	1.9
187.14911	5.7
189.11270	4.3
193.03358	1.9
193.04982	10.6
193.12221	38.8
197.13243	2.2
201.16443	3.2
211.13274	32.8
217.05127	2.2
224.81580	2.1
227.12837	6.4
229.14197	2.4
247.09700	2.2
259.20551	2.5
261.22183	4.7
267.15912	9.6
269.17514	2.7
277.21719	4.8
285.22055	2.4
291.12289	18.3
291.19281	2.1
301.25290	8.4
334.25812	2.2
335.25867	5.9
425.33551	2.2
435.32690	8.4
453.33682	11.7
471.34695	6.4
509.36261	5.6
527.37152	31.2
527.44434	3.1
545.38348	100.0
546.38849	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
55.05502	1.2
57.03435	1.2
67.02975	1.0
67.05499	1.7
68.01395	3.6
68.48037	1.0
69.03420	2.9
70.06577	1.8
71.04986	1.4
71.65112	1.4
72.08133	1.0
79.05488	4.6
81.07047	2.7
83.04986	1.2
84.08130	1.0
85.02902	3.0
85.06523	1.1
89.03929	1.7
89.42422	1.1
91.05489	4.6
93.07024	1.6
95.04953	3.4
95.08649	1.3
97.02895	3.8
97.06541	4.6
98.06913	1.3
102.98874	1.0
103.05470	6.2
105.07027	10.2
107.04961	9.4
108.05724	2.8
109.06499	1.3
110.03527	29.1
110.08393	1.0
117.03389	2.8
117.06968	1.1
119.04984	1.4
119.08614	1.1
121.06519	2.6
121.10121	1.2
123.04445	2.5
123.08058	1.1
127.03905	1.5
131.04919	1.8
131.08629	1.2
133.06519	3.7
135.04398	10.6
135.08054	21.3
136.05176	2.6
137.05971	8.4
138.28845	1.0
140.04774	1.2
145.02823	5.2
149.05966	5.0
149.09593	1.0
151.03900	1.2
151.07533	2.7
152.04703	1.8
152.08322	13.1
153.04074	100.0
154.02496	2.2
161.05945	1.8
161.09625	1.7
163.03908	45.7
163.07547	17.9
165.05473	59.1
165.09164	3.6
166.06261	31.3
167.07053	8.6
175.07613	2.7
177.09122	1.3
178.09933	1.7
179.07022	1.2
180.07785	4.6
181.08607	2.8
187.05017	2.9
191.07033	2.9
193.08588	21.1
195.10187	1.1
196.10950	1.8
200.36230	1.1
203.10657	7.3
205.12190	1.5
209.08115	2.0
210.08875	9.9
211.09651	13.6
213.11247	2.6
215.04680	2.8
221.11652	2.3
224.10472	1.5
232.07126	1.4
233.11742	3.8
234.11990	2.8
239.12784	74.5
247.07178	3.8
258.04962	1.1
273.62854	1.0
304.16327	3.3
307.10367	83.4
325.09171	5.1
330.17825	3.7
333.11856	7.8
348.18875	2.1
460.75668	1.2
467.76489	1.2
545.33203	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	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03947	1.6
53.91163	0.6
55.01868	2.8
55.05262	0.8
55.05510	14.2
57.03415	2.7
57.07073	0.9
67.05167	1.1
67.05504	21.1
69.03425	1.0
69.07070	7.6
69.45399	6.5
71.04989	1.5
79.05489	15.5
81.03437	3.9
81.07059	17.3
81.39120	0.7
83.04976	3.2
83.08612	6.7
85.06550	1.4
86.50213	0.8
91.05474	12.8
93.07037	12.5
95.04974	5.4
95.08598	9.4
97.06521	1.8
97.10164	7.8
105.06361	1.4
105.07023	13.4
105.07672	1.2
107.04958	2.7
107.08582	9.3
109.06520	1.3
109.10146	7.2
111.08077	1.5
115.05450	1.4
117.07012	10.8
119.08578	11.3
121.06528	2.1
121.10126	4.8
123.08125	1.6
123.11713	1.4
124.59081	0.7
125.09648	5.4
128.06216	1.9
129.07004	6.7
131.08563	13.5
131.26935	0.8
133.06537	1.3
133.10147	5.6
135.08064	1.9
135.11668	2.8
141.06985	3.4
142.07776	2.4
143.08569	7.7
145.06477	3.3
145.10103	10.6
147.08003	1.6
147.11691	3.5
149.09602	1.6
149.13193	1.0
155.07515	0.7
155.08540	4.5
157.06487	1.6
157.10121	7.9
159.08047	3.1
159.11707	7.8
161.09622	1.6
161.13251	3.3
163.11179	1.4
166.07776	1.1
167.08534	2.0
168.09387	1.2
169.10124	5.2
170.10832	0.8
171.08017	1.5
171.11656	6.8
173.09645	2.1
173.11920	1.2
173.13220	4.3
175.11241	1.3
175.14812	0.8
179.25133	0.8
181.10176	3.5
183.11687	5.5
185.09645	1.1
185.13240	4.6
187.11104	1.3
187.14801	2.3
189.11226	3.1
193.12320	0.9
195.11707	2.6
197.13292	3.2
199.11180	1.6
199.14876	3.0
201.12750	1.3
207.11708	1.9
209.13321	2.6
211.11148	0.9
211.14806	1.4
213.12813	1.8
221.13217	1.7
223.14845	2.1
227.12784	2.2
229.14204	1.1
233.13222	1.0
235.14954	0.7
241.15788	0.8
241.19571	0.9
245.15344	0.9
249.16484	0.9
257.18988	1.1
259.20618	3.3
262.76480	0.8
265.16064	0.8
265.19510	1.0
267.15988	3.1
281.22610	0.8
283.20563	2.0
297.18869	0.8
297.22153	2.6
299.23834	4.3
301.21722	1.5
313.21567	1.5
315.23233	1.3
325.21521	1.5
333.24155	1.3
339.23175	1.5
357.24417	1.2
405.31659	0.8
415.29947	2.3
423.32651	2.3
433.31018	7.0
451.32108	7.8
469.33386	5.7
487.34146	1.0
507.34927	1.2
515.37244	2.3
525.28351	1.4
525.35779	16.5
543.36804	100.0
544.37360	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03933	2.0
55.01870	3.5
55.05512	16.4
57.03440	4.2
57.07057	1.3
59.05004	1.7
60.38810	0.6
65.03931	1.4
67.05505	25.7
69.03419	2.0
69.07070	9.0
71.04980	2.4
71.06214	1.4
79.05497	17.7
81.03410	6.5
81.07059	23.6
83.04985	3.0
83.08607	8.2
85.06536	0.9
91.05480	17.4
93.07044	16.7
95.04963	5.7
95.08604	12.9
97.06528	2.3
97.10176	8.5
99.08128	1.3
99.23943	0.7
103.05451	1.0
105.07028	17.0
107.04951	3.0
107.08587	10.0
109.06522	3.4
109.10152	8.3
111.08080	2.1
115.05478	2.2
116.06272	0.9
117.07003	11.5
119.07805	1.1
119.08583	15.0
120.75153	0.8
121.06510	3.3
121.10149	6.2
123.08064	2.3
123.11723	3.2
125.09647	6.6
128.06212	3.1
129.06996	8.7
130.07787	1.2
131.08568	15.2
133.06506	1.7
133.10121	9.0
135.08083	1.6
135.11708	3.1
137.09595	1.3
141.06982	2.3
142.07799	1.7
143.05064	1.0
143.08557	11.0
144.09302	0.8
145.06500	2.4
145.10110	12.2
147.08020	2.5
147.11694	7.0
147.49313	0.8
149.09624	1.9
149.13240	2.1
151.11171	1.1
153.07024	1.1
155.08562	6.1
156.09311	1.2
157.06537	1.1
157.10135	10.3
157.11320	1.1
159.08075	3.8
159.11693	9.4
161.09599	1.6
161.13237	2.0
163.11169	1.4
167.08598	2.5
168.09314	0.8
169.10139	6.1
171.08121	1.2
171.11694	8.0
173.09619	2.7
173.13225	5.9
175.11191	1.7
175.14841	1.5
177.12802	0.9
179.08496	1.2
181.10117	3.7
183.08122	1.0
183.11679	6.5
185.09610	1.1
185.13252	6.0
187.11316	1.4
187.13310	1.0
187.14870	2.7
189.11218	1.7
189.12753	1.0
193.10185	1.4
193.12274	1.7
195.11728	3.1
197.09656	0.8
197.13251	4.1
199.11229	1.5
199.14848	3.3
201.12560	0.9
205.10103	0.9
207.11739	1.6
209.13330	2.0
211.14958	2.3
213.12775	1.7
213.16441	0.9
215.14107	0.8
217.15845	0.7
219.11797	1.1
223.14836	2.2
225.16510	1.6
227.12762	3.2
229.14395	1.6
233.15482	1.1
235.14807	1.0
237.16525	1.0
238.24377	0.7
241.15877	1.1
241.19598	1.2
247.17014	0.7
249.16368	1.0
257.19141	1.0
259.20700	2.8
265.19626	0.9
267.16000	2.4
273.18506	0.9
279.21198	0.9
283.17264	1.0
283.20654	2.0
289.32733	0.7
297.22131	1.4
299.23578	5.4
301.21741	1.8
309.22086	0.8
315.23236	1.4
323.23706	0.9
327.23602	1.0
329.21033	1.1
333.24500	1.5
339.23334	1.6
353.24860	1.6
357.24136	1.9
405.31671	1.0
415.29947	1.5
423.32593	1.9
433.31094	8.3
451.32077	10.5
469.33398	4.9
507.34592	2.3
515.37390	2.2
525.35767	18.7
543.36823	100.0
544.37231	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01855	3.1
55.05509	19.8
57.03428	4.5
59.04993	1.6
65.03940	1.3
67.05168	2.2
67.05502	30.3
69.03433	2.3
69.07060	10.7
70.57404	3.3
71.04967	2.2
77.80143	1.1
79.05049	1.5
79.05486	21.9
81.03426	8.5
81.07050	26.9
83.04969	2.9
83.08620	11.2
85.02885	2.1
85.06522	2.4
91.05474	20.7
93.07047	16.5
95.04967	7.9
95.08601	14.7
97.06525	3.0
97.10154	10.9
105.07027	19.4
105.07669	1.8
107.04954	4.1
107.08583	13.2
109.06493	1.7
109.10133	9.8
111.08060	2.1
115.05454	1.3
116.27434	1.0
117.07014	14.4
117.35499	1.2
119.08574	16.7
121.06537	2.7
121.10131	6.9
123.08054	2.0
123.11709	1.8
125.09618	7.4
128.06221	3.2
129.07001	12.9
131.08549	18.8
133.06494	1.8
133.10141	13.0
135.08032	2.3
135.11697	3.7
137.09572	1.1
141.06990	5.1
142.07773	1.6
143.08536	9.8
144.09306	1.2
145.06483	4.0
145.10115	13.6
147.08026	2.9
147.11673	8.3
149.09624	2.6
149.13257	1.6
151.11119	1.2
155.08556	7.4
156.09325	1.4
157.10104	14.7
159.08086	5.5
159.11696	10.4
161.09616	2.1
161.13251	2.5
163.11151	2.6
167.08565	3.7
168.09377	1.2
169.10118	8.1
171.11665	8.8
173.09616	2.5
173.13251	7.3
175.11250	2.5
175.14828	2.4
181.10124	4.3
183.11699	5.4
185.09615	3.0
185.13249	8.4
187.11244	2.9
187.14828	3.0
189.11208	2.8
193.12292	2.7
195.11723	3.8
197.13252	4.6
199.14798	3.0
201.12776	2.7
207.11745	2.1
209.13248	3.9
211.14897	2.6
213.12747	2.0
213.16522	1.6
223.14937	1.5
227.12634	2.1
241.15996	2.0
257.19058	1.5
259.20636	3.7
267.15857	2.0
283.20587	3.2
295.21033	1.1
297.22195	2.8
299.20349	1.7
299.23755	6.7
301.21680	2.3
309.22031	1.1
313.21573	1.6
315.23196	1.5
325.21619	1.3
330.37936	1.2
333.24219	3.0
339.23056	2.3
371.25558	1.3
405.31555	1.6
415.30051	2.5
423.32489	1.7
433.31152	7.7
451.32007	12.4
469.33124	5.9
481.11444	1.5
507.34561	2.3
515.37732	2.3
525.35791	20.1
543.36774	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	542.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	12.3
55.01870	12.0
55.05511	28.9
57.03427	9.2
59.14026	5.3
67.05502	62.7
69.07058	22.0
69.60755	19.3
69.61182	27.7
71.04949	5.9
79.05488	59.0
81.03408	22.1
81.07055	77.9
83.04977	11.6
83.08606	12.4
85.06557	8.2
91.05475	64.2
91.06004	9.1
93.07032	67.1
95.04963	20.7
95.08601	66.9
96.08988	7.4
97.06520	11.8
97.10143	6.5
98.21557	8.8
105.07028	100.0
107.04919	12.3
107.08583	69.1
109.06527	15.7
109.10155	21.7
117.07003	29.3
119.08547	50.8
121.06514	7.0
121.10156	31.0
128.06224	13.9
129.06990	18.8
130.07794	8.5
131.08551	67.9
132.08835	6.8
133.10097	42.8
135.11679	30.5
141.06960	14.6
142.07779	13.3
143.08545	44.3
145.06451	13.0
145.10110	83.6
147.11664	21.4
149.09624	8.3
155.08578	14.5
157.10126	24.9
159.08049	8.5
159.11690	58.2
161.13274	26.3
163.11185	82.4
167.08485	6.5
168.09348	24.4
169.10214	9.7
171.11644	10.4
173.13237	24.0
175.11130	9.4
179.14305	8.3
183.11697	46.6
185.13278	9.9
187.07523	9.0
187.11214	11.0
189.09192	10.1
201.12752	20.2
201.16357	96.2
211.11134	13.8
219.13971	8.5
219.17430	89.9
227.12907	7.4
229.12259	56.4
236.84109	5.9
247.13304	38.6
257.18497	6.0
265.14279	7.7
275.20001	8.7
369.09601	5.8
451.32050	7.3
482.58276	6.1
536.96655	7.4
542.35590	33.5
543.36877	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	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93566	0.6
52.46585	0.5
55.54884	0.5
70.15677	3.2
70.15958	0.8
100.63164	0.6
115.77306	0.5
128.98668	0.8
173.02957	0.9
181.01807	0.8
186.51108	0.6
189.00723	0.8
213.29388	0.6
214.37297	0.6
218.81850	0.5
219.01953	0.9
232.03337	1.1
235.66937	0.7
270.85547	0.6
351.06104	0.7
356.75833	0.7
363.06921	1.6
381.07968	13.9
412.70758	0.7
543.13220	100.0
544.13519	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04380	0.9
53.03940	4.0
53.04178	0.8
55.01863	4.3
55.05261	1.5
55.05508	18.9
57.03430	6.1
57.07066	1.6
57.15609	0.8
61.40965	0.8
65.03939	1.2
67.05502	30.1
68.32858	0.9
69.03415	2.7
69.07061	9.6
70.09129	4.9
71.04989	2.6
79.05486	24.2
79.59441	0.9
81.03407	6.0
81.07052	30.1
83.04984	2.7
83.08611	11.1
85.06539	2.1
91.05469	19.9
93.07034	22.0
95.04951	6.8
95.08597	20.1
97.06519	2.0
97.10158	11.1
98.21529	0.9
99.08095	1.6
105.07023	21.2
107.04938	2.9
107.08589	15.3
109.06522	3.3
109.10147	10.7
111.08083	3.5
115.05474	2.2
116.06230	1.4
117.07014	14.5
119.08574	17.1
119.09356	1.5
121.06516	2.8
121.10136	8.9
123.08054	3.2
123.11710	2.5
125.09645	8.2
128.06253	2.5
129.07004	12.6
131.08553	21.8
133.06528	2.3
133.10120	11.6
135.08055	5.5
135.11703	5.5
137.09645	2.0
141.06998	4.3
142.07777	3.1
143.08556	13.0
145.06487	3.6
145.10114	17.5
147.08041	2.4
147.11681	5.9
149.09636	1.7
149.13326	1.9
154.07877	1.1
155.08534	7.2
156.09306	1.6
157.06438	1.2
157.10129	11.8
159.08092	3.9
159.11687	11.3
161.09587	2.6
161.13264	3.2
163.11183	2.1
167.08582	3.5
169.10088	8.6
171.08046	1.9
171.11653	11.0
173.09666	2.8
173.13268	7.3
175.11194	2.4
175.14809	1.6
175.28056	1.1
177.12666	1.4
179.08588	1.0
181.10072	4.7
183.11707	7.2
185.09637	2.8
185.13188	7.7
187.11168	2.9
187.14842	3.6
189.11183	4.8
191.08598	1.0
193.12189	1.8
195.11763	5.0
197.13260	6.3
199.11186	2.7
199.14864	4.6
201.12761	1.7
205.12430	1.0
207.11674	1.7
209.13240	3.8
211.14809	2.4
213.12685	1.4
213.16406	1.4
215.14374	1.0
221.13287	2.5
223.14848	2.6
227.12671	6.6
227.17870	1.4
229.16006	1.5
235.14726	1.9
237.16547	1.7
241.15802	1.3
241.19553	1.2
246.13806	0.9
247.16891	1.7
259.20700	3.5
267.15964	2.8
273.18610	1.1
275.20126	2.1
281.22800	1.2
283.20557	3.0
297.22177	2.5
299.20355	1.4
299.23703	7.6
301.21735	2.5
307.20486	1.1
313.21707	1.5
315.23123	2.2
317.24774	1.3
325.21661	2.2
333.24191	1.8
339.23148	1.3
403.24823	1.3
415.29892	1.6
421.25931	1.8
423.32758	1.6
433.30951	10.1
435.27545	1.2
451.32007	15.5
469.33221	8.7
487.34360	1.9
507.34695	2.5
515.37396	2.2
525.35785	31.2
543.36798	100.0
544.36652	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	542.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.0
55.05514	27.2
57.03437	8.6
59.19249	4.8
59.25651	4.6
60.03773	4.5
66.16846	4.6
67.05505	45.9
69.07055	19.2
69.47012	22.0
69.47447	24.6
71.04979	7.8
79.05498	43.3
79.21812	4.8
81.03409	20.3
81.07056	55.1
83.04993	9.6
83.08607	19.8
91.05474	42.3
93.07043	43.8
94.07368	7.7
95.04951	19.7
95.08594	39.0
97.06518	12.3
97.10173	10.4
98.20722	9.2
103.05463	5.0
105.07027	47.6
106.07352	12.3
107.04960	8.2
107.08604	33.2
109.06501	8.5
109.10143	17.4
117.07025	25.8
119.08581	33.8
121.06550	7.1
121.10159	11.3
123.11688	5.6
125.09612	12.1
128.06232	5.2
129.06990	17.6
131.08546	25.6
132.08963	5.7
133.10139	26.9
135.11682	8.3
142.07800	7.1
143.08566	24.1
145.10089	24.1
146.10419	7.4
147.11674	11.6
149.09604	8.5
155.08548	14.5
156.08878	6.8
157.10081	11.6
159.11684	20.1
163.11200	16.8
169.10074	11.3
171.08060	7.4
171.11673	11.3
173.13266	16.2
183.11696	23.7
187.11235	6.2
189.11168	7.3
201.12767	6.5
201.16359	18.2
229.12207	20.5
247.13367	9.4
275.20200	12.6
276.20578	9.9
298.22446	6.8
359.97699	5.3
432.29590	8.0
435.55850	5.3
444.27844	6.7
450.30566	7.6
468.31967	6.3
497.15018	6.1
524.34583	15.7
542.28680	7.1
542.35742	100.0
543.37024	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	542.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81540	0.9
56.96554	2.4
69.03423	1.3
70.06590	1.9
71.61573	1.7
72.08164	1.1
81.03413	1.4
85.02899	2.5
85.63821	1.1
91.05470	1.9
93.07047	1.0
96.04418	1.0
97.02880	2.8
98.97591	1.1
103.05472	6.9
107.04942	3.9
116.98649	1.5
119.04946	2.3
120.08101	100.0
121.08392	1.2
131.04877	2.4
131.37369	1.0
136.06180	4.2
137.05887	1.2
140.07085	1.4
147.04358	2.5
149.05974	2.3
151.27948	0.9
163.03915	1.4
166.08636	48.6
167.07019	2.2
179.06990	2.5
219.01805	1.9
230.93005	0.9
237.02802	2.0
418.32364	1.0
428.03394	1.4
460.40359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01871	2.5
55.05511	17.6
57.03432	3.1
57.07071	9.7
58.18047	1.7
65.03945	2.6
67.05164	2.6
67.05500	33.5
69.07072	13.4
69.37302	9.7
69.37735	8.2
70.06583	5.0
71.04987	3.2
71.08633	4.0
77.66364	2.2
79.05492	29.0
80.29053	1.6
81.03415	2.6
81.07047	24.4
83.04965	2.7
83.08637	8.0
85.06509	1.7
85.10214	1.6
88.07635	5.6
91.05486	23.9
93.07037	24.0
95.04986	5.7
95.08610	18.7
97.06529	3.1
97.10175	6.1
102.09175	5.5
103.05441	1.7
103.45657	1.6
105.07035	17.7
107.05015	1.9
107.08596	14.5
109.10165	6.0
117.07041	8.1
118.69186	1.9
119.08563	14.2
121.10146	7.3
125.09763	2.1
128.06244	4.2
129.06979	12.9
131.08571	15.3
133.10138	7.4
135.11708	4.9
141.06996	4.7
142.07768	2.6
143.08580	16.0
145.10127	16.9
147.11690	8.5
149.13228	1.8
154.07866	1.8
155.08562	11.2
156.09392	3.5
157.10123	13.4
158.10632	1.6
159.11748	7.9
161.13289	3.5
167.08568	3.6
169.10127	13.4
171.11711	11.4
173.13300	4.8
175.11266	1.7
175.14838	2.3
179.08690	2.4
181.10168	4.8
183.11635	8.3
185.13303	5.4
187.14885	3.3
189.12706	1.9
193.10141	1.9
195.11778	5.2
197.09554	1.8
197.13274	5.6
199.14917	4.0
201.16351	2.0
207.11801	3.0
207.13797	3.7
209.13297	3.0
211.14923	5.6
213.12672	1.8
213.16388	4.1
220.37454	2.2
225.16434	3.9
227.18097	2.0
235.14960	2.0
237.16389	2.1
239.18022	2.6
253.19621	2.1
256.26318	11.4
257.26746	5.4
261.22214	4.2
283.26303	1.9
295.20761	2.1
311.29337	9.7
312.29849	9.0
342.83170	1.7
431.33325	5.1
449.34256	16.9
467.35440	5.2
485.36432	3.5
523.37610	10.5
540.53375	11.5
541.38983	100.0
541.53375	27.9
542.39478	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38403	1.6
55.01867	3.4
55.05509	13.9
57.03431	3.2
57.07074	12.2
59.04996	4.5
65.03937	2.4
67.05503	30.8
68.82483	1.9
69.03424	8.4
69.07063	31.7
70.06583	9.9
70.15429	5.8
70.15836	4.1
71.04997	4.0
79.05488	15.7
79.34377	1.7
81.03403	2.8
81.07051	82.1
83.04979	3.3
83.08615	8.6
84.08141	3.1
85.02885	10.4
85.06538	100.0
87.04442	2.5
91.05468	9.1
93.07035	44.9
95.08601	68.9
97.02895	4.6
97.06518	10.2
97.10160	10.1
99.08080	17.5
105.07034	20.6
105.20705	2.5
107.08583	45.0
109.02908	2.8
109.10146	52.1
111.08067	13.4
111.11704	6.8
113.09642	7.0
115.07543	4.3
116.07145	2.2
119.08554	18.2
121.10130	31.3
121.70277	1.7
123.08070	3.1
123.11700	26.6
123.31616	1.9
125.09635	14.0
127.11214	2.5
131.08537	2.1
133.10130	14.6
134.12999	1.8
135.11690	29.0
137.13275	13.2
139.11157	15.3
143.10695	5.7
144.12804	2.1
145.10130	4.4
147.11708	11.0
147.46852	1.8
149.13243	24.7
151.11261	2.4
151.14844	3.2
153.12758	8.1
157.12268	14.8
159.11700	6.5
161.13271	11.4
163.11188	2.0
163.14792	19.3
165.12796	3.0
167.14304	2.5
168.81323	2.0
169.12234	2.5
173.13196	4.8
175.14766	11.4
177.16383	6.0
179.14395	3.1
179.17900	1.9
187.14810	2.8
189.16393	5.5
191.17947	9.5
193.15793	10.3
201.16255	2.6
203.17938	3.6
205.19490	3.1
207.17493	2.9
211.16911	34.3
215.17963	3.9
220.10416	2.0
229.17970	33.5
231.21066	4.0
251.20206	2.0
271.24228	5.6
277.25177	10.4
289.25159	18.2
295.26346	23.9
307.26285	30.1
313.27322	30.7
325.27332	37.0
343.28391	54.4
346.42722	1.9
361.29538	2.7
541.25891	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	541.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01874	4.3
55.05264	1.3
55.05515	21.0
57.03427	3.1
57.07068	1.3
59.04989	0.8
65.03955	1.7
67.05506	25.7
69.03412	2.6
69.07074	8.9
69.37523	9.5
71.04980	1.5
79.05064	1.5
79.05492	19.3
81.03419	5.8
81.07060	19.0
83.04994	4.1
83.08614	10.1
85.06522	1.3
91.05479	17.6
93.07045	15.8
95.04952	7.1
95.08610	10.4
97.06533	3.0
97.10177	12.3
98.20694	1.4
103.05441	1.0
105.07030	14.2
107.04953	3.0
107.08604	10.0
108.59165	0.8
109.06515	2.9
109.10155	6.5
111.08115	1.4
115.05467	2.8
117.07023	8.8
119.08575	11.1
121.06528	2.2
121.10145	4.0
123.08101	1.3
123.11704	1.4
125.09641	8.1
127.73848	0.9
128.06232	4.0
129.07011	11.0
131.08572	13.3
133.06537	1.2
133.10133	7.8
135.08072	3.0
135.11713	2.4
137.09602	1.1
141.07001	5.9
142.07770	3.3
143.08572	15.4
145.06540	2.0
145.10133	9.2
146.98187	1.5
147.08046	1.6
147.11684	3.0
149.09636	1.1
153.07028	2.0
153.09073	1.1
155.08551	7.2
156.09355	1.4
157.06520	2.2
157.10147	11.9
159.08047	1.5
159.11740	6.1
161.09531	1.1
163.11211	2.7
166.07790	0.9
167.08606	4.4
168.09332	1.5
169.10132	9.9
171.08073	2.4
171.11696	9.4
173.09683	2.8
173.13206	4.2
175.11266	1.4
179.08562	2.5
180.09331	1.1
181.10045	5.3
183.08083	1.0
183.11693	8.9
185.09636	2.5
185.13263	8.7
187.11171	1.6
187.14851	1.6
189.11241	6.0
189.12767	1.3
193.10201	2.3
195.11707	3.6
197.09615	1.0
197.13268	5.3
199.11234	2.2
199.14841	3.2
201.12727	1.3
204.25354	1.0
205.10164	1.8
207.11694	3.5
209.09674	0.9
209.13307	3.6
211.11205	1.8
211.14815	2.5
213.12790	2.1
213.16428	2.3
217.15901	1.1
219.11671	0.9
221.13297	2.4
223.14917	2.6
225.12668	1.1
227.12740	6.1
235.14856	2.0
237.16486	1.2
239.18182	1.2
241.16002	1.1
247.14264	1.1
249.16458	1.0
257.19061	1.9
263.17853	0.9
269.18781	1.0
271.17218	1.1
275.20114	3.0
277.19556	0.8
279.21054	1.7
281.19104	2.0
295.20413	1.3
297.18665	1.6
297.22070	9.5
298.22528	0.9
311.20163	1.9
319.20532	1.3
323.19931	1.3
337.21600	1.9
341.21442	1.1
353.24826	1.0
386.62415	1.0
403.30115	1.7
413.28635	1.4
421.30917	1.6
431.29373	6.7
443.28424	1.7
449.30530	12.2
467.31595	8.0
483.24777	0.9
485.32999	2.2
513.35712	1.4
523.34216	14.9
541.35272	100.0
542.35822	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	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53750	0.9
69.03432	1.8
70.06555	1.5
70.67151	3.5
81.03394	1.1
85.02901	2.6
88.11887	0.8
88.70563	0.8
91.05483	3.0
95.05003	1.3
98.21375	1.2
102.97520	0.8
103.05467	6.7
105.07040	1.1
117.06989	1.4
119.04953	1.7
122.03614	1.5
123.08016	1.2
129.07031	2.2
131.04924	15.6
131.05812	1.3
133.06432	1.2
135.08035	1.8
137.05969	26.3
138.06360	1.2
149.05984	1.8
151.07562	14.4
157.06546	1.1
161.04753	1.2
161.05998	3.9
162.06793	2.5
163.07533	37.1
165.09145	1.0
167.08597	1.5
171.08076	0.9
174.06705	1.0
175.07500	5.8
177.09109	100.0
178.09492	1.1
189.09114	3.2
191.24614	0.9
195.08200	1.4
195.10143	2.0
207.10117	1.2
221.11726	13.9
223.07689	1.0
227.10660	1.9
253.08603	1.9
253.12193	1.2
255.10234	3.2
272.28497	1.0
285.11145	2.1
287.12866	6.1
311.12836	2.1
313.14484	6.0
331.15366	16.1
334.13428	0.9
343.15451	1.9
391.66788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.6
58.06605	3.1
60.89543	2.2
67.05492	3.9
69.03411	5.2
69.28028	31.9
70.06580	6.1
79.05507	4.5
81.07056	5.3
83.04974	2.9
85.02901	10.6
85.06532	3.9
86.09693	2.6
87.09200	4.1
91.05459	13.2
93.07060	3.5
95.08602	3.7
95.90065	2.1
97.02882	6.3
99.04449	2.3
101.84315	2.6
105.07062	3.5
107.04988	3.3
108.92828	2.3
109.10145	4.1
117.07017	2.3
119.04932	11.7
122.03629	4.1
127.03894	3.0
127.27118	2.5
129.06990	11.0
131.04950	2.9
131.08575	7.8
133.02826	4.3
135.08125	2.3
137.05972	45.7
141.06953	3.7
145.06497	2.8
147.04485	2.5
149.05959	7.4
151.07544	47.5
157.06480	11.7
159.08044	4.8
161.05963	6.2
161.35013	2.5
163.07533	9.6
165.06915	3.1
165.09178	3.3
167.05165	3.3
167.07140	3.0
167.08539	3.5
169.06519	4.1
174.06841	12.1
175.07565	7.6
177.09146	5.3
186.06718	3.4
189.09094	34.9
192.10179	5.5
195.08076	10.5
201.05536	3.2
201.09097	8.0
206.11803	2.6
207.10144	2.9
209.07945	3.1
219.10161	79.8
219.12289	4.8
221.05984	4.6
221.09624	5.7
223.07527	5.1
225.09053	4.8
227.10654	17.4
237.09174	3.2
238.09529	3.5
253.08659	6.0
253.12306	7.7
255.10173	14.6
256.10904	2.8
269.08185	2.6
281.11768	4.2
285.11218	9.1
287.12787	32.6
305.69824	2.3
308.66595	2.5
313.14334	28.9
325.10709	3.4
331.15393	100.0
355.11615	4.4
427.20047	2.9
540.26245	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	541.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07876	1.5
53.03944	13.6
55.01873	14.4
55.05293	2.0
55.05513	18.9
57.03437	9.6
57.07066	6.3
61.02911	6.9
65.03922	2.4
67.05175	2.7
67.05506	33.4
68.99776	6.9
69.03430	64.6
69.07069	35.9
70.06578	3.2
70.82703	5.7
71.01369	2.0
71.04990	7.1
71.08652	2.4
72.16730	1.5
73.02922	9.1
79.05489	25.1
81.03419	74.9
81.07056	69.1
83.05003	8.2
83.08617	13.7
84.08157	2.4
84.82360	1.5
85.02905	100.0
85.06544	13.2
87.00831	34.3
87.04430	2.3
91.03939	1.9
91.05466	11.8
93.07043	22.9
95.04974	11.6
95.08610	86.0
97.02891	33.6
97.06539	25.5
97.10161	8.8
99.04468	19.5
99.08109	3.8
101.02412	2.4
103.03960	2.2
103.05457	1.8
105.01881	19.4
105.07026	16.8
107.04966	3.6
107.08591	24.9
108.12273	1.6
109.02882	52.5
109.06507	7.6
109.10154	37.3
111.04432	6.9
111.08064	6.0
111.11721	6.6
113.09676	3.3
115.03927	5.4
115.05413	2.5
116.84519	1.7
117.01826	4.7
117.06989	9.3
119.04959	2.4
119.08578	14.3
121.06524	4.7
121.10149	12.5
123.04453	2.1
123.08067	5.4
123.11694	18.2
125.09695	2.2
125.13274	2.5
127.03919	84.1
128.06248	3.4
129.01860	7.8
129.05539	2.0
129.07004	6.4
131.08569	9.8
133.06436	2.8
133.10144	15.0
135.08064	5.6
135.11684	9.7
137.06013	4.0
137.13251	8.6
143.08548	6.6
145.04959	21.1
145.06392	3.7
145.10118	10.1
147.02892	3.5
147.04456	2.3
147.08083	5.1
147.11685	8.1
149.05975	2.3
149.09579	6.1
149.13252	10.6
151.14790	11.4
153.09052	1.9
155.08545	4.2
157.10130	7.9
159.02878	18.8
159.08076	5.3
159.11665	9.3
161.09621	5.3
161.13255	7.2
163.03932	4.3
163.07503	2.7
163.11172	1.9
163.14815	7.2
165.09071	4.1
165.16313	2.1
167.08551	3.1
168.09308	2.0
169.06483	2.2
169.10092	5.0
171.08066	2.9
171.11644	4.8
173.06017	2.0
173.09630	4.0
173.13277	5.1
175.11205	2.0
175.14842	5.9
177.12665	2.5
177.16344	1.9
179.10760	2.0
183.08107	4.3
183.11734	4.3
183.17403	2.4
185.05951	2.0
185.09595	5.7
185.13232	4.1
187.14780	1.9
189.03940	3.9
189.09093	3.4
195.08075	1.9
195.11668	3.7
197.09619	5.4
197.13197	2.8
199.14885	3.8
201.12866	3.2
203.10599	2.3
211.11192	8.9
211.14713	3.4
213.03989	4.7
213.09157	13.2
213.12796	1.7
215.10649	5.3
215.14297	3.6
217.15973	2.0
219.13799	2.0
221.09552	1.9
225.09216	1.9
226.75055	1.7
229.12405	2.4
231.04935	12.8
233.15283	2.2
237.09042	2.0
239.10559	2.3
251.10701	2.0
259.04562	2.5
267.13681	3.2
275.20041	15.2
275.27441	2.2
287.16190	2.2
291.26825	6.1
293.15182	3.8
293.21082	3.6
293.28296	11.8
299.44498	1.6
303.26651	2.2
309.14899	1.9
311.16367	4.1
311.29504	2.3
317.28305	3.3
335.29373	2.4
351.25296	1.8
359.29474	3.0
383.29333	11.9
401.30460	8.6
419.31503	3.5
431.18225	2.0
437.32599	2.5
487.30469	3.8
505.31491	5.7
523.32178	4.6
541.19885	4.8
541.26965	9.7
541.34717	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	540.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01868	0.9
57.03434	0.4
65.03907	0.4
66.04711	0.4
67.05487	0.3
70.54607	0.9
75.04481	0.3
79.05487	4.4
91.05473	4.4
93.07041	0.6
95.04977	1.3
97.06511	0.5
103.05472	3.6
104.06253	0.3
105.07024	18.8
107.04956	1.8
108.05745	0.7
109.06495	1.3
111.04435	0.4
115.05460	1.2
116.06197	0.3
117.07021	0.5
118.03379	0.5
118.04158	5.0
119.03518	1.0
119.04942	2.7
120.05745	1.2
120.89090	0.2
121.06500	2.1
122.03689	0.3
122.07291	1.3
123.04411	0.6
123.08054	1.5
124.05190	1.1
125.05929	0.4
127.07491	0.3
131.04900	1.0
132.05711	0.9
133.06488	18.5
134.07295	1.2
135.04448	1.2
135.08037	2.9
136.06177	99.3
137.04593	1.6
137.05966	6.1
137.09546	0.3
137.92941	0.3
146.03612	0.9
147.04411	0.9
148.05171	1.1
149.05972	2.1
150.05531	0.6
150.06752	11.6
151.07545	3.4
153.05443	0.5
161.05983	2.1
162.06870	0.4
163.07578	1.0
165.09114	14.9
167.07051	6.3
168.07799	1.8
171.95905	0.2
177.05475	0.7
178.06229	1.3
179.07036	2.7
181.08575	0.4
182.28534	0.2
193.08597	100.0
194.09373	24.1
195.09648	0.4
209.08055	0.5
211.09644	67.8
212.10411	8.0
221.77831	0.3
347.16260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
53.76983	1.1
55.01864	2.2
58.06588	1.4
60.76933	1.0
65.03922	4.2
65.59953	0.9
67.05495	1.8
70.06577	3.1
71.64549	1.6
75.04462	4.1
78.04704	2.8
79.05481	3.2
81.03425	1.2
81.07029	1.6
84.31654	1.1
84.70422	1.1
85.02899	5.3
85.06550	1.3
86.06092	1.5
86.09706	1.7
89.03908	1.5
91.05466	12.5
93.03403	13.6
93.07059	5.9
95.04966	4.9
95.08582	1.4
97.02893	7.6
97.06515	2.1
103.05453	6.2
103.24297	1.1
105.04514	1.0
105.07018	1.7
106.04173	28.9
107.04943	3.6
107.08571	1.3
109.02865	1.7
111.04426	2.4
113.67137	1.1
118.04076	1.5
119.04936	1.8
121.06499	31.4
122.03652	1.7
122.07334	1.2
123.04411	2.4
123.08062	2.4
124.05215	1.5
125.05989	10.0
127.03922	2.5
129.07004	1.1
129.85738	1.1
131.04839	1.0
134.03625	4.5
135.04414	1.5
137.05981	7.1
138.06758	1.1
139.07510	2.7
145.04932	2.0
148.05168	3.1
149.05972	49.4
151.07547	2.0
153.05450	8.3
153.09076	11.7
163.07529	3.0
165.05368	1.3
166.06245	1.8
167.07043	3.8
167.85654	1.1
177.05467	22.6
178.92253	1.1
181.08589	23.4
181.12209	1.5
182.09377	3.0
191.07036	2.9
199.13330	1.2
209.08081	100.0
223.04265	6.7
239.92935	1.1
339.51865	1.3
393.04712	1.1
473.18881	1.2
540.25269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01883	4.3
55.05518	31.5
56.37311	3.7
67.05504	62.1
69.07065	31.8
70.68628	14.1
79.05493	43.5
81.07060	75.8
83.08617	16.4
91.05476	30.8
93.07041	72.8
95.04975	5.8
95.08600	77.7
97.10171	8.1
103.05459	4.1
105.07034	47.7
107.04926	3.9
107.08591	59.4
109.10149	37.0
111.39267	4.2
117.07050	17.1
119.08588	50.9
121.10113	31.7
123.11740	9.5
129.07031	13.8
130.07787	5.3
131.08568	41.8
133.10135	40.7
135.11708	24.8
137.96611	4.8
141.07030	4.7
142.07809	6.6
143.08525	28.6
145.10129	53.3
147.11693	31.3
149.13319	12.1
155.08588	18.3
156.09375	4.5
157.10086	27.5
158.10884	5.3
159.11710	42.0
161.13322	24.0
167.08487	4.3
169.10146	18.3
171.11674	30.2
173.13225	20.0
175.14845	9.4
183.11794	21.2
185.13287	21.0
187.14833	18.4
195.11710	9.2
197.13242	21.4
199.14839	19.0
201.16461	23.3
203.17944	13.9
209.13272	6.5
211.14871	11.7
213.16417	17.0
215.17902	6.7
223.17014	5.6
225.16362	13.7
227.17999	9.7
239.18008	13.0
241.19518	10.4
251.20117	6.5
253.19508	11.8
267.21130	9.9
275.20120	5.3
277.21698	32.1
281.22729	4.6
295.24203	6.1
303.23083	8.8
343.26187	6.3
352.87531	5.5
355.26184	7.5
369.28043	9.8
397.31155	6.3
409.31046	6.3
437.34247	7.8
451.35962	4.7
461.38043	4.4
479.38879	100.0
539.41125	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.05508	38.7
56.84142	3.2
57.07062	5.3
60.08738	3.2
65.03919	4.4
67.05164	4.5
67.05502	60.8
69.07063	37.3
70.76546	11.5
70.76920	4.0
79.05487	47.5
81.07054	90.9
83.08609	12.7
91.05482	41.0
93.07035	76.4
95.04960	6.8
95.08601	76.7
97.10164	11.5
105.06372	5.3
105.07030	63.9
106.87187	3.4
107.08578	69.9
109.06527	4.2
109.10143	39.9
117.07024	14.7
119.08569	55.9
121.10136	38.3
123.11693	15.9
128.06197	4.3
129.06978	12.6
131.08549	45.5
133.10117	41.0
135.11676	28.3
137.09653	3.5
137.13263	7.2
141.06961	4.2
142.07761	9.5
143.08533	34.5
144.09331	5.0
145.10124	48.4
147.11674	35.3
149.09538	3.2
149.13264	13.6
155.08522	14.2
156.09357	6.7
157.10121	32.3
158.10805	3.6
159.11690	45.0
159.12886	5.9
161.13274	20.1
163.14789	5.7
165.36145	4.3
169.10103	25.7
170.10889	3.6
171.11691	21.9
173.13245	22.1
175.14835	15.0
181.10123	6.0
183.11684	20.3
185.13234	21.8
187.14818	19.9
189.16273	6.6
195.11671	7.5
197.13248	28.8
199.14845	16.6
201.16396	17.7
203.17932	11.9
209.13344	6.6
211.14795	14.2
213.16347	14.9
215.17932	6.5
223.14752	4.7
225.16357	16.0
227.17943	13.8
233.15425	5.2
239.17763	8.4
239.95859	3.8
241.19539	11.8
253.19496	6.2
263.20206	6.1
267.21033	5.9
273.18436	4.5
275.20071	4.7
277.21765	21.3
281.22549	5.2
295.24329	3.8
301.21613	4.4
315.23178	4.4
331.26251	7.2
355.26175	4.9
357.27670	4.5
369.28040	5.3
383.29187	7.9
409.30823	8.1
437.34238	7.5
479.38788	100.0
480.39264	7.1
507.55109	4.0
539.41058	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86341	1.3
53.00295	1.5
53.03939	4.8
55.01880	11.5
55.05509	26.4
57.03423	6.5
57.07074	60.0
58.30743	1.3
65.03936	2.3
67.05500	48.8
67.23138	1.4
68.05813	1.6
69.03427	2.4
69.07068	21.2
71.01357	3.2
71.04996	4.0
71.08229	1.8
71.08627	35.3
71.64503	1.9
71.64880	2.2
73.02891	3.2
73.43733	1.5
79.05490	26.1
81.03415	9.5
81.07054	50.1
83.04983	19.8
83.08611	24.2
85.02895	6.0
85.06545	4.7
85.10184	22.2
91.05479	20.0
93.07040	27.9
95.04959	9.5
95.08600	43.5
95.09161	3.0
96.08931	2.5
97.02893	7.3
97.06541	7.2
97.10162	12.2
99.00850	2.1
99.04451	4.4
103.03885	1.6
105.07018	9.8
107.04927	7.8
107.08585	19.8
109.02869	3.2
109.06530	3.6
109.10149	22.6
110.84402	1.4
111.04439	28.2
111.08070	4.7
111.11706	2.6
115.05437	1.8
117.07019	6.5
119.08569	14.4
121.06538	2.3
121.10136	13.2
123.08087	3.6
123.11687	6.7
125.05959	3.1
125.09655	6.0
129.07062	2.2
131.08572	12.4
132.40154	1.4
133.10133	6.0
134.10466	2.0
135.08026	4.4
135.11696	17.1
137.13278	2.2
143.08510	1.8
145.06454	2.0
145.10114	17.1
147.08060	3.3
147.11681	2.4
149.09674	4.6
151.11176	1.6
153.12740	16.5
155.08557	4.0
157.10202	1.5
159.11697	2.5
163.11200	29.4
165.08998	1.6
173.09612	7.2
181.12224	20.6
191.10655	21.4
193.08661	3.8
194.09428	1.4
199.13216	3.1
209.11723	45.9
209.13612	2.9
217.15968	1.9
227.12775	34.3
227.14909	2.3
239.23662	14.0
245.13828	2.6
283.15372	25.7
301.16479	2.0
313.27338	16.4
341.26859	2.4
521.38452	13.7
539.39313	100.0
540.39288	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	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.1
55.05511	40.0
55.35158	5.6
57.03426	23.2
57.06818	7.1
57.07074	100.0
58.07377	4.9
67.05499	76.1
69.03419	9.8
69.07063	30.0
69.96243	32.5
71.04995	11.3
71.08625	59.8
79.05479	45.5
81.03395	23.6
81.07052	82.3
83.04965	23.4
83.08607	37.6
85.02882	11.3
85.10199	33.0
87.04469	7.0
91.05470	31.2
93.07040	64.9
95.04951	22.0
95.08603	83.9
97.02883	11.7
97.06501	9.8
97.10159	24.2
98.30044	6.1
102.17222	5.0
105.07038	23.8
107.04958	18.0
107.08592	32.4
109.06526	7.3
109.10134	35.2
111.04453	31.5
111.08064	10.0
117.07012	21.0
118.34555	5.5
119.08561	21.8
121.06548	8.0
121.10134	26.2
123.08025	6.1
123.11710	13.5
125.09595	10.7
131.08577	14.2
135.11671	34.7
145.10146	43.0
153.12712	15.5
155.08401	5.5
158.53847	5.6
163.11183	57.5
173.09615	11.6
181.12204	25.9
191.10619	21.5
209.11725	26.0
211.13272	6.1
227.12724	73.1
239.23717	17.7
245.13962	6.8
254.65294	6.2
283.15417	62.6
304.67719	7.1
313.27362	89.2
521.38428	50.4
539.39319	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
54.82310	3.4
55.01860	10.0
55.05505	41.6
56.16328	3.3
57.03422	13.6
57.07070	47.8
67.05177	3.8
67.05503	58.1
69.07065	28.0
71.08630	28.3
71.65260	5.8
73.44668	3.5
79.05488	51.1
81.03413	10.0
81.07050	64.8
83.04952	11.9
83.08607	25.6
83.60220	3.4
85.02925	4.8
85.06488	3.2
85.10175	18.7
85.15610	3.6
91.05037	3.2
91.05483	37.9
93.07040	46.0
95.04940	12.5
95.05527	3.8
95.08598	59.7
97.02863	3.9
97.06509	4.0
97.10157	11.0
99.04437	7.9
105.07022	35.1
107.04967	9.1
107.08596	35.6
109.06521	5.8
109.10164	20.6
111.04396	8.1
111.08065	5.3
115.05427	4.8
117.07022	20.0
119.08575	18.6
121.06495	5.3
121.10157	21.6
123.11671	5.9
124.28596	3.5
125.09594	8.8
128.06212	3.9
129.06970	14.8
131.08580	19.7
133.10101	14.2
135.11684	37.3
141.06961	5.5
143.08525	13.4
145.10130	38.8
147.11665	8.4
149.09529	3.8
155.08548	16.8
156.09332	4.8
157.10115	10.1
159.11700	10.0
161.13339	5.1
163.11171	36.9
167.08521	8.7
169.10100	18.4
171.11652	14.3
173.13246	7.0
179.08617	6.2
181.10088	7.2
181.12227	12.4
183.11685	14.3
185.13318	8.8
191.10667	6.7
193.10143	5.0
195.11670	11.9
197.13226	12.6
199.13194	5.2
199.14824	5.8
205.09991	4.2
207.11581	5.1
209.11696	10.4
209.13309	9.1
211.14857	7.6
223.14780	6.2
225.16545	4.9
227.12749	72.5
233.13219	4.3
239.23656	8.6
247.53511	3.6
259.20651	4.6
283.15375	31.9
309.22156	5.6
313.27304	59.0
320.78183	4.3
335.23740	4.8
429.31323	5.3
437.80908	4.1
447.32816	20.5
465.33627	11.3
521.38019	34.7
539.37512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01873	6.9
55.05506	30.1
57.03429	11.9
57.07072	58.6
61.09872	3.0
65.03937	5.1
67.05502	56.4
69.03416	6.4
69.07065	24.9
71.04985	5.3
71.08630	44.3
71.65975	4.4
73.02905	5.4
79.05491	42.0
81.03399	11.5
81.07053	65.6
83.04992	16.5
83.08619	31.7
85.02876	5.9
85.06548	5.3
85.10168	23.2
91.05478	25.7
93.07037	45.0
95.04956	12.7
95.08603	66.3
97.02891	10.4
97.06510	9.0
97.10181	14.7
99.04432	3.3
105.07052	18.7
107.04965	14.9
107.08591	31.7
109.02863	4.6
109.06520	3.7
109.10152	26.6
111.04436	20.5
111.08092	8.6
111.11681	3.7
117.07008	15.0
117.07728	2.7
119.08553	17.0
121.06509	6.9
121.10157	17.5
123.11694	8.7
123.54129	3.1
125.09657	4.5
128.06226	5.9
129.06992	6.2
131.08574	6.3
133.10178	4.7
135.08041	4.8
135.11682	36.7
137.09685	2.6
137.13196	3.5
143.08543	9.4
145.10109	38.6
147.11601	3.3
149.09651	5.9
153.12738	11.2
155.08600	7.0
157.10115	4.2
159.11667	10.8
163.11186	49.1
173.09587	7.6
181.12202	23.7
183.11620	3.9
187.07686	3.3
191.10678	21.7
193.08595	4.7
199.14812	6.6
199.97580	2.8
209.11697	37.2
217.15923	11.4
227.12775	100.0
229.12244	8.0
239.23723	13.2
245.13644	3.7
247.13280	4.0
265.14355	6.4
283.15356	47.2
313.27353	69.7
461.45834	3.5
521.38428	44.4
539.31708	4.6
539.39490	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93277	4.1
52.72990	3.7
53.03943	5.1
53.09881	3.8
55.05503	16.1
57.07059	8.5
67.05499	41.4
69.03432	5.8
69.07082	25.5
70.34476	17.6
75.04471	12.5
79.05496	28.0
81.07053	88.6
82.56347	5.6
83.04985	9.5
83.08602	12.9
85.48029	5.2
91.05479	48.3
93.07034	55.2
95.04951	19.4
95.08597	71.6
97.06510	7.2
98.21445	6.3
102.86368	5.3
105.07028	100.0
107.08582	81.8
109.06549	9.8
109.10148	41.1
115.05459	8.5
117.05522	11.0
117.07008	18.5
119.08585	76.9
121.06505	6.0
121.10143	42.9
123.08058	7.0
123.11712	13.4
128.06206	7.2
129.07022	18.3
130.07788	8.3
130.27661	4.5
131.08565	52.9
133.06494	5.8
133.10120	52.2
135.08063	5.1
135.11665	22.2
141.06992	7.0
142.07771	17.6
143.08565	35.1
145.10110	92.4
147.11703	43.5
149.09610	6.6
149.13248	15.2
155.08557	17.4
156.09261	10.1
157.10121	68.7
159.08043	11.8
159.11682	94.8
161.09573	8.1
161.13254	33.5
163.11162	11.7
163.14783	9.1
165.07001	7.3
167.08556	8.6
169.10168	25.0
169.11351	4.8
170.10884	4.6
171.11662	36.6
172.12486	4.0
173.09648	10.3
173.13252	32.1
175.11272	6.3
175.14828	11.7
177.12801	6.3
181.10126	6.8
182.10925	4.6
183.11682	29.5
185.13211	30.1
187.11044	5.5
187.14867	23.6
189.16414	11.2
195.11771	7.0
197.13281	40.3
199.11169	6.3
199.14813	45.9
201.12758	6.6
201.16368	78.5
203.17914	15.3
207.11766	7.4
209.13298	13.5
211.14825	18.2
213.16420	26.4
215.14314	28.1
215.17950	26.3
217.15880	27.5
219.17427	9.1
221.13333	6.9
223.14911	10.1
225.16409	11.0
227.12825	8.6
227.17989	7.0
229.12288	9.5
229.19424	9.7
231.17467	5.9
233.15378	29.5
237.16432	13.4
239.17928	12.5
241.19574	4.7
251.17967	9.2
253.19463	20.6
261.18607	6.3
263.18188	5.9
265.19391	6.7
271.20633	6.9
273.18134	5.6
279.21072	5.7
291.20932	5.2
303.21423	6.7
331.23898	5.4
345.25763	5.3
359.27173	7.1
363.30435	10.1
401.31998	45.0
419.33197	17.2
461.34097	43.0
479.35257	24.5
521.36371	6.9
539.35663	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	40.4
55.05511	36.2
57.03430	6.5
57.07074	84.0
59.66667	1.2
65.03921	3.1
67.05501	50.9
68.75822	1.5
69.03432	15.9
69.07066	26.9
70.33803	2.6
70.34188	3.8
71.04978	2.8
71.08628	53.9
73.02896	7.0
79.05064	2.3
79.05494	30.5
81.03406	8.7
81.07054	54.5
82.04185	9.8
83.04974	15.4
83.08617	26.5
84.05740	1.9
85.02914	2.0
85.06532	4.4
85.10180	27.9
89.06025	5.4
91.05473	22.5
93.07030	20.7
94.04191	1.4
94.07811	1.7
95.04950	15.5
95.08602	55.1
97.02914	4.2
97.06526	10.7
97.10172	16.4
98.07304	10.8
99.08091	1.7
99.11736	2.3
105.07014	9.6
107.04974	6.5
107.08595	9.5
109.06537	4.7
109.10154	24.9
111.04444	4.6
111.08092	5.6
111.11729	3.4
113.06010	1.7
117.07014	4.2
119.08588	8.8
121.06486	3.8
121.10111	6.7
123.08089	5.3
123.11724	9.9
125.09634	8.6
125.13248	1.5
127.03907	1.6
127.11194	6.1
129.07018	4.2
130.07808	1.4
131.08580	5.3
133.08583	2.3
133.10092	6.7
135.08008	1.9
135.11667	4.5
136.08813	1.8
137.09616	3.4
137.13249	4.9
139.11147	1.7
142.07785	1.8
145.10114	3.6
147.11708	4.9
149.09651	2.4
151.14891	1.4
153.12746	2.5
157.10153	3.1
158.05727	9.3
163.11168	4.8
164.12019	1.4
165.16402	1.5
171.06561	18.5
175.11247	4.3
181.12206	2.1
185.08087	5.2
190.04776	1.7
191.10689	1.7
193.12187	1.5
199.09612	1.8
209.11681	7.6
213.11200	3.7
221.22542	1.8
227.12793	12.5
239.23694	16.7
255.15912	11.8
269.17545	5.4
283.15573	4.3
283.18964	2.8
297.20615	2.5
311.22141	9.9
313.27292	11.9
339.25406	2.7
354.27710	3.5
367.24411	2.0
367.28491	23.2
381.30069	6.3
395.31525	18.2
402.23251	1.5
409.33209	6.1
423.34805	3.5
437.36310	2.8
438.36877	10.3
465.36179	1.6
493.38660	4.0
521.38550	4.1
539.39429	100.0
540.39960	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01868	27.8
55.05507	31.2
56.05784	1.7
57.03427	9.5
57.07068	66.4
60.44772	1.5
65.03929	4.3
67.05498	54.9
69.03426	10.8
69.07056	24.2
71.01334	2.0
71.04988	4.3
71.08624	46.5
71.65866	1.7
71.66261	1.7
73.02901	5.6
79.05481	33.0
81.03401	10.9
81.07050	65.1
82.04189	3.8
83.04975	17.3
83.08614	25.7
85.02910	4.5
85.06538	1.8
85.10178	27.3
89.06020	3.2
89.59511	1.6
91.04939	2.9
91.05468	24.8
91.05988	1.9
93.07037	26.9
95.04974	12.2
95.08601	47.8
97.02890	11.3
97.06519	12.4
97.10152	16.0
98.07306	7.8
99.04476	1.8
99.08096	2.3
99.11761	1.5
103.05431	1.7
105.07021	11.1
107.04958	5.5
107.08588	17.5
109.02871	3.0
109.06510	2.7
109.10133	23.2
111.04424	28.3
111.08078	4.9
111.11718	3.7
115.03944	1.9
116.04695	2.1
117.07018	6.6
119.08559	10.3
121.06474	3.6
121.10139	16.1
123.08064	4.4
123.11696	11.6
125.05995	2.0
125.09629	5.6
127.11211	3.0
129.06964	3.5
131.08591	7.6
133.10118	6.3
135.08086	3.7
135.11687	10.4
137.09633	2.8
137.13258	3.9
139.11166	2.1
142.07870	2.0
145.10126	11.1
147.11661	3.4
149.09596	3.6
157.10175	3.8
158.05740	4.6
163.11151	11.3
164.66536	1.7
171.06519	8.5
173.09695	2.5
175.11180	1.9
181.12270	4.6
185.08099	3.3
191.10686	6.9
199.09839	2.4
209.11716	100.0
213.11182	2.8
227.12756	31.1
239.23712	14.6
245.13885	6.9
255.15958	6.7
283.15384	36.2
311.22162	7.0
313.27353	22.9
328.91272	1.7
341.26953	2.4
353.27051	1.7
367.28464	14.6
381.30035	4.2
395.31393	10.7
409.32770	1.8
423.13904	1.6
438.37094	4.5
493.38440	1.7
521.38342	19.8
539.39362	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.9
55.01878	8.7
55.05510	7.8
57.03437	8.4
61.02928	6.0
67.05505	10.9
68.67524	1.3
68.99802	6.8
69.03428	44.9
69.07064	14.3
70.06580	1.2
71.01341	2.5
71.04988	7.0
71.30378	2.4
73.02908	8.0
79.05489	8.8
81.03417	45.1
81.07054	36.8
83.04984	1.8
83.08598	3.4
83.12521	1.3
85.02902	100.0
85.06544	6.3
85.35686	1.1
87.00827	34.7
91.03963	2.9
91.05467	7.6
93.07039	19.5
95.04956	4.5
95.08601	25.1
97.02895	29.1
97.06509	4.7
97.10174	3.0
98.05094	1.2
99.04446	15.1
99.08101	2.1
103.03924	1.5
105.01859	29.7
105.07037	9.9
107.04985	1.4
107.08589	25.5
109.02877	49.7
109.10159	13.7
111.04421	1.9
111.11669	2.3
113.57947	1.1
115.03904	4.2
117.01836	4.4
117.05481	1.4
117.06926	1.5
119.08583	8.9
121.10147	19.0
123.11718	7.7
127.03915	80.7
129.01851	6.6
131.08527	2.9
133.10126	5.9
135.11694	9.9
136.06212	1.7
137.05980	3.7
137.13258	3.8
143.08578	1.4
145.04947	30.0
145.10117	4.8
147.02861	6.0
147.04314	1.5
147.11661	5.4
149.13237	20.3
151.07611	1.6
157.10091	2.1
159.02898	27.8
159.11696	3.3
161.13251	7.1
163.03859	2.7
163.14827	16.7
165.05382	1.3
167.07062	2.5
173.13239	4.5
175.14804	2.7
177.03911	1.9
177.16364	3.7
185.13216	1.9
187.14835	1.9
189.03929	2.1
189.16414	2.5
191.17900	3.0
193.08530	1.2
201.16331	2.7
203.17926	3.4
209.13452	1.3
209.18962	2.0
213.03949	3.4
215.18042	2.3
217.19473	2.8
219.04971	1.4
231.04956	19.4
271.24036	1.7
273.25708	2.6
277.25201	2.0
289.25281	7.9
291.26846	27.7
303.26752	3.1
309.32004	1.3
315.26636	1.6
339.14551	1.5
381.27881	3.4
399.29135	2.0
503.29565	2.3
521.30695	2.5
539.31726	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	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33414	1.8
53.03936	4.3
55.01866	2.8
55.05510	19.6
57.03439	2.7
57.07072	10.0
58.06580	2.1
59.04995	4.0
65.03918	3.1
67.05169	3.0
67.05501	47.5
69.03419	9.4
69.06717	2.6
69.07071	30.2
69.47278	5.1
69.47680	18.3
70.06590	4.2
71.04985	6.7
73.06560	2.4
74.72133	2.0
79.05486	26.5
81.03407	5.4
81.04577	2.3
81.07054	100.0
83.04964	10.3
83.08601	8.2
84.08137	2.9
85.02906	10.4
85.06541	65.8
86.09691	5.0
89.07152	2.6
91.05470	23.1
93.07041	60.7
95.04977	11.8
95.05473	1.9
95.08606	66.2
97.02869	6.4
97.06522	12.3
97.10162	7.9
99.08077	10.9
100.11263	4.8
101.06010	3.1
105.06370	3.8
105.07027	41.1
107.04935	2.6
107.08593	49.6
109.02884	2.6
109.06510	8.6
109.10152	55.6
111.08081	4.4
111.11712	4.6
113.06008	2.7
113.09678	5.1
115.07552	4.0
117.06998	3.1
119.08578	34.7
121.06514	5.4
121.10146	34.3
123.08006	2.8
123.11710	21.1
125.05916	2.2
125.09627	13.9
127.03949	4.9
129.06985	3.4
131.08553	12.9
133.02815	2.6
133.06509	2.9
133.10135	26.8
135.08083	2.4
135.11693	29.9
137.04504	2.1
137.05995	13.1
137.09625	9.9
137.13225	2.7
139.11162	9.0
143.08534	5.0
143.10657	12.0
145.10149	10.5
147.04384	2.7
147.11671	29.6
149.05972	7.6
149.13257	25.2
151.07576	2.2
151.11214	4.4
153.12735	7.4
154.18925	2.1
155.10706	3.9
157.10074	4.2
157.12207	4.5
159.11670	22.5
161.05931	2.5
161.09572	2.4
161.13243	11.9
163.11148	2.9
163.14806	8.3
165.12720	3.9
167.07047	4.2
167.14430	2.2
169.12181	2.3
171.11696	5.8
171.13762	3.6
173.13271	9.1
175.14822	9.7
177.05351	2.4
177.12668	3.5
177.16386	8.9
179.14348	3.6
181.12305	5.1
183.13713	2.7
185.13255	4.6
187.14812	8.1
189.16371	9.1
191.14398	2.7
199.14784	4.0
201.05476	5.0
201.16406	6.5
203.17981	5.6
205.15894	2.9
207.17438	5.8
210.14673	2.7
211.16870	5.4
213.16406	8.6
217.19492	4.7
225.18456	5.7
227.17984	2.8
229.19649	2.5
234.24376	2.3
239.20096	2.5
257.22739	3.8
269.22647	7.4
275.23679	10.6
287.23734	11.4
293.24710	16.0
305.24707	28.4
307.26892	2.1
311.25830	5.6
323.25757	19.0
341.26883	10.4
355.11823	3.0
359.27731	10.0
377.28909	5.9
539.41589	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	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
57.03417	2.4
57.07070	13.1
57.41562	1.8
59.05006	2.1
65.03931	2.5
65.57194	2.0
66.21722	1.9
67.05502	30.7
69.03410	8.0
69.06706	3.1
69.07054	21.5
69.47240	5.7
69.47659	11.1
71.04976	4.5
72.66880	1.9
78.40093	1.7
79.05486	17.4
81.06592	3.2
81.07053	58.6
83.04987	4.5
83.08586	6.0
85.02882	7.6
85.06539	100.0
91.05461	12.8
93.07035	36.6
95.04951	6.2
95.08603	47.1
97.06512	5.6
97.10152	4.8
98.20733	2.2
99.04481	2.0
99.08089	7.1
105.07015	25.6
107.07889	2.3
107.08582	38.2
109.06492	4.8
109.10149	35.7
111.08060	5.5
111.11660	3.6
113.09624	6.3
117.07014	4.4
119.08583	28.8
121.10139	26.1
123.08047	3.7
123.11687	12.3
125.09628	8.4
127.03873	3.0
131.08542	7.1
133.10124	25.5
135.11679	26.3
137.09613	4.8
137.13208	2.8
137.31947	1.9
139.11166	9.6
143.08559	3.1
143.10652	2.7
145.10089	13.2
147.11667	15.2
149.13245	17.5
151.11119	2.3
155.10695	3.8
157.10101	2.8
157.12204	6.0
159.11725	11.6
161.13234	7.0
163.14812	4.1
165.12698	4.6
171.11742	2.4
173.13167	5.5
175.14774	9.8
177.16359	6.4
183.13910	2.7
187.14792	8.3
189.16357	6.6
193.15930	5.6
195.13821	3.3
199.14827	2.8
201.16417	4.0
203.17963	5.3
211.16899	14.7
213.16319	6.8
215.17914	2.2
245.19235	1.9
250.98779	2.1
257.22733	2.6
269.22614	9.3
275.23727	7.9
287.23538	12.5
293.24741	7.9
305.24765	21.0
311.25458	3.1
323.25858	18.1
341.26776	8.0
359.27924	14.6
425.73859	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	15.1
55.01863	13.1
55.05506	26.7
57.03438	18.5
57.07071	63.5
67.05500	82.1
69.07063	25.4
69.23964	9.2
71.00596	11.7
71.00947	23.4
71.08633	41.6
76.09109	11.3
79.05499	89.7
81.07063	65.7
83.04963	17.2
83.08620	24.1
85.10169	9.3
91.05477	84.2
93.07043	100.0
95.04971	34.6
95.08596	56.2
105.07022	56.7
107.08584	14.5
108.45973	8.5
109.06507	9.6
109.10165	16.8
119.08558	26.3
127.88673	10.4
129.07004	17.9
133.10115	14.3
145.10141	10.2
147.11688	39.9
150.55658	9.2
150.77103	9.5
161.13297	15.0
171.11722	23.2
184.78590	10.2
189.12910	12.3
189.48824	10.5
195.95714	8.7
207.13841	31.4
281.17410	42.7
304.66071	9.5
307.08041	9.1
313.27402	78.9
367.08130	8.6
394.64621	8.9
397.31039	11.0
439.65533	10.0
445.70602	9.5
519.40393	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.05510	30.4
57.03426	15.6
57.06826	4.6
57.07079	67.6
60.59072	3.5
67.05507	74.8
69.07074	27.1
70.59166	10.0
70.59522	5.0
71.05002	5.0
71.08633	43.4
79.05070	6.1
79.05495	89.6
81.03408	10.3
81.07058	62.6
83.04981	17.8
83.08614	24.2
85.06517	4.4
85.10193	21.8
91.05478	79.5
93.06479	7.0
93.07044	83.9
95.04964	30.4
95.08609	55.1
96.98479	3.5
97.06560	4.3
97.10169	14.2
99.17928	4.3
102.73398	3.4
105.07031	45.2
107.04955	8.5
107.08607	21.3
109.06513	6.1
109.10146	14.5
117.07004	9.4
119.08596	34.2
121.10166	4.3
123.08049	7.0
123.11665	6.2
128.06248	5.3
129.07040	17.3
133.10112	13.1
143.08542	10.5
145.10117	8.9
147.11684	52.2
150.70905	4.4
161.09642	7.2
161.13258	12.6
171.11708	31.1
187.12407	3.5
189.12766	8.0
207.13814	38.2
239.23705	6.2
281.17542	54.8
285.56104	3.8
313.27374	75.2
335.95987	3.5
351.17728	3.5
519.40515	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	26.9
57.03429	13.2
57.07079	44.2
60.94044	3.6
67.05506	65.3
68.11061	3.4
69.07050	18.3
69.79236	3.1
70.27518	17.0
71.08636	25.5
79.05492	65.2
81.03439	6.5
81.07048	55.2
83.04966	18.6
83.08614	19.0
85.10168	16.2
86.09723	4.4
91.05477	48.5
93.07041	64.1
95.04957	19.2
95.08599	43.3
96.36997	3.4
97.06511	4.8
97.10183	7.2
99.11708	3.8
105.07034	42.5
107.04935	9.1
107.08585	15.8
109.06564	5.6
109.10159	21.9
111.08034	3.5
117.07020	7.7
119.08594	25.3
121.10165	6.3
123.08062	5.6
123.11652	4.6
124.93222	4.4
129.06999	16.6
133.10086	13.8
135.87080	3.6
137.39427	4.2
143.08578	10.5
145.10100	11.3
147.11699	37.1
161.13213	13.2
161.14575	4.5
171.11679	31.6
181.67532	3.7
189.12717	12.0
207.13792	28.8
223.65175	3.7
239.23752	6.2
263.87500	3.6
281.17502	86.3
313.27374	66.3
362.07867	4.1
519.40503	100.0
537.37518	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	539.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01865	9.3
55.05510	23.5
57.03429	4.3
57.07065	9.6
59.67800	2.2
61.02907	2.5
65.03918	2.7
67.05510	26.3
68.99785	6.9
69.03426	48.5
69.07065	57.1
71.04987	12.0
71.08643	2.7
71.64745	3.6
73.02921	7.0
79.05489	21.5
80.01918	2.8
81.03415	64.8
81.07049	70.6
83.04983	11.3
83.08608	20.9
85.02900	71.0
85.06541	7.7
85.10168	3.2
87.00821	26.6
91.05468	20.5
93.07039	48.8
95.04942	12.1
95.08602	67.3
97.02885	24.3
97.06519	12.1
97.10160	14.7
99.04467	21.3
99.08099	4.5
103.03947	2.5
105.01839	15.4
105.07025	29.3
106.06489	2.8
107.04958	3.9
107.08585	32.4
109.02875	50.6
109.06533	7.5
109.10144	42.4
111.04445	11.3
111.11703	16.8
112.18621	2.5
115.03924	5.9
117.07011	5.2
119.08578	24.1
119.89605	2.3
121.06573	4.0
121.10156	24.7
123.04443	4.6
123.08064	5.5
123.11700	11.5
125.09628	2.6
127.03909	100.0
129.00797	2.2
129.01842	4.2
131.08551	7.6
133.10138	13.1
135.08038	3.1
135.11690	23.4
137.05971	6.5
137.09621	5.5
137.13242	8.6
139.11166	6.2
142.07809	2.5
143.08534	7.3
145.04922	13.2
145.06544	3.1
145.10129	14.2
147.02773	3.2
147.08047	7.3
147.11688	17.9
149.09601	2.8
149.13264	30.3
151.14749	4.5
155.08530	2.9
157.10144	4.6
159.02908	13.3
159.08041	3.2
159.11665	15.2
161.09695	3.4
161.13258	10.8
163.14845	9.4
169.04953	2.4
171.11705	8.3
173.09647	6.4
173.13217	5.8
175.14822	5.5
177.16388	5.0
179.08681	3.2
183.11668	5.8
185.13268	3.5
187.11082	3.5
187.14899	4.0
189.03906	3.5
189.16429	4.7
197.04410	3.3
201.04048	3.1
203.17934	5.0
209.13176	3.2
213.04007	12.0
217.19489	5.4
225.53162	2.4
227.14342	3.5
231.05020	15.3
247.23912	2.9
256.57040	3.0
273.25739	16.7
289.25159	6.3
291.26852	22.1
303.26788	3.1
309.27921	7.9
315.26944	3.8
333.27753	3.1
336.91843	2.5
371.29395	3.1
381.28018	6.9
399.28802	11.1
417.30048	7.9
430.07986	3.7
435.31055	6.1
503.30011	5.7
521.30829	8.9
523.59174	3.0
539.31909	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	538.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47539	1.9
55.01864	2.6
57.03427	3.6
58.57779	1.9
59.97420	1.7
62.87942	1.8
65.29389	1.8
65.71162	1.8
69.03424	4.4
69.41686	18.0
70.06554	3.0
71.04977	2.8
79.05473	3.2
81.03413	6.9
85.02906	14.6
86.09682	2.3
91.05488	7.3
93.07030	4.9
95.04966	2.9
97.02892	21.6
97.06548	2.0
98.21484	2.6
103.05476	10.2
104.05311	3.9
105.07044	10.6
107.04972	2.1
107.08601	5.8
109.02898	4.2
115.05489	2.8
117.06989	4.3
119.08606	6.8
121.06529	5.2
121.10203	3.7
122.03652	5.5
127.03902	7.4
129.06999	3.2
131.04938	15.0
132.05753	4.0
133.06450	4.7
133.10095	2.4
136.06198	8.8
137.05975	100.0
138.06319	5.0
139.14516	2.3
145.04951	4.3
145.10094	3.1
147.08026	5.7
149.05997	2.3
149.09641	2.2
154.44220	1.9
159.08031	3.5
161.06029	13.2
163.07515	23.3
163.11226	9.7
167.07077	2.2
175.07544	69.0
179.06969	2.0
187.07576	7.2
191.08620	3.6
191.10692	6.6
193.08640	4.8
199.07513	5.9
203.08646	3.0
203.10513	2.0
209.11687	2.0
219.08089	5.8
227.12846	6.7
231.08006	4.9
247.07541	3.5
248.08241	2.0
251.10762	9.3
260.08255	2.8
260.10748	3.3
260.53860	2.1
263.10797	2.4
279.10202	8.4
291.10156	6.7
296.10413	2.6
311.12741	25.5
323.12445	14.8
325.14380	4.6
379.41956	2.3
425.70239	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.6
58.06617	0.6
60.08160	6.1
60.89046	0.2
67.05499	0.9
70.57008	0.4
70.57403	0.4
71.07372	3.2
71.11671	0.2
79.05473	0.6
81.07051	0.5
86.09699	31.7
93.07051	0.4
95.08601	0.7
98.98463	2.6
104.10737	3.2
124.99996	21.0
126.16622	0.2
143.01015	0.5
152.54282	0.2
167.05540	0.4
180.46339	0.2
184.07329	100.0
185.07597	0.4
185.36862	0.2
258.11096	0.2
299.06073	0.5
348.40063	0.2
351.25415	0.2
435.26566	0.2
500.30841	0.8
518.32471	5.0
553.06293	0.2
561.00482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	20.4
68.05872	8.7
68.48563	8.7
69.03416	16.9
69.07069	11.8
70.06597	100.0
71.13168	8.4
71.63608	8.6
72.08165	21.7
79.05486	13.5
81.03410	17.4
81.07067	15.3
84.04468	15.0
84.08145	25.8
85.02916	55.9
86.09700	28.2
87.00789	12.8
93.07040	24.9
97.02892	29.4
105.01886	13.1
105.07072	22.9
109.02879	14.0
109.10182	9.7
117.06989	12.0
119.08613	25.8
127.03926	21.5
131.04955	14.1
133.10098	12.4
136.07599	15.6
137.05974	34.2
143.08531	12.5
145.05003	11.2
149.05911	9.7
153.01886	12.0
153.05476	15.3
157.10130	14.1
159.11688	78.0
161.09518	13.0
161.13261	50.3
163.03934	11.0
167.07007	11.8
174.33299	9.2
175.14886	12.4
177.12732	17.5
189.16360	11.4
199.14842	32.2
205.08617	35.4
217.15901	89.4
235.16911	59.5
253.17987	16.4
299.05920	12.2
357.13315	27.2
519.93213	10.5
537.19739	12.9
537.27710	9.6
538.23828	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	537.3035
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05516	0.6
67.05496	1.1
69.07066	0.4
70.01099	0.6
70.01493	0.9
79.05484	0.4
81.03422	0.4
81.07043	0.7
83.08617	0.3
84.09704	0.3
91.05441	0.3
93.07031	0.6
95.05032	0.3
95.08604	0.5
97.10153	0.4
105.07026	0.6
107.08601	0.3
107.93350	0.3
109.10162	0.4
119.08614	0.3
121.10121	0.4
131.08606	0.4
133.10104	0.3
156.65076	0.3
157.30141	0.3
164.46136	0.3
167.05606	0.5
185.04181	0.3
301.20245	0.7
470.29767	0.3
537.30328	100.0
538.30792	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	537.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	5.9
53.03938	2.9
55.01878	4.1
55.05509	25.4
57.03430	1.5
57.07073	46.9
58.35549	0.7
59.04982	2.3
65.03949	1.8
67.05499	32.1
69.03416	2.6
69.07065	15.4
70.40575	3.2
71.01340	2.7
71.04968	1.6
71.08628	34.5
72.09006	0.7
79.05487	15.9
81.03425	5.7
81.07052	39.1
83.04984	3.6
83.08614	27.1
85.06546	2.0
85.10177	19.3
91.05473	26.6
93.07036	17.4
93.87096	0.8
95.04965	6.8
95.08598	34.4
97.02874	5.3
97.06554	3.1
97.10159	9.7
99.00813	17.4
99.04489	1.1
99.08091	0.9
99.11719	1.3
103.05465	2.0
105.06297	1.1
105.07021	20.9
106.07353	0.8
107.04945	7.2
107.08587	8.2
109.02871	9.9
109.06506	4.3
109.10152	19.4
111.04442	2.5
111.08074	4.1
111.11700	2.3
115.03920	2.8
115.05436	1.3
117.07005	4.4
119.04927	1.2
119.08568	9.7
121.06493	7.3
121.10142	2.8
123.04429	2.3
123.08039	1.2
123.11705	9.6
125.13253	1.2
127.03912	2.2
128.06230	2.4
129.06999	1.1
131.08566	2.2
133.06462	1.8
133.10127	36.6
135.08098	2.0
135.11728	2.4
137.06003	1.6
137.09608	1.7
137.13280	1.9
139.07539	3.2
141.48174	0.8
143.08566	5.1
145.06494	1.4
145.10114	1.4
147.08038	1.3
147.11656	0.9
151.11192	11.2
151.14766	1.1
161.09621	20.3
163.11157	1.1
165.09114	1.0
171.08026	4.0
179.10677	13.8
189.09102	13.5
197.11682	4.9
207.10089	6.4
209.11752	1.1
221.22708	1.8
225.11215	20.7
236.42662	0.9
239.23668	10.4
243.12282	4.2
281.13730	5.1
302.76874	0.8
309.20966	0.8
313.27258	1.0
335.11478	0.9
452.18311	1.1
537.37848	100.0
538.38269	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	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
53.30859	2.0
53.34043	1.7
55.01862	2.4
56.05038	2.4
57.03443	3.3
58.11337	1.9
58.83573	2.1
64.39143	2.0
67.01891	1.9
69.03427	9.5
70.06594	3.0
71.04992	8.7
74.06073	6.1
77.24850	1.7
79.05466	2.4
81.03410	9.6
81.07040	2.8
85.02917	15.2
86.09708	90.2
87.00840	3.2
87.05577	3.7
91.05482	8.1
93.07034	6.0
95.08589	3.0
97.02892	59.8
98.20718	4.5
99.04460	24.0
103.05457	3.8
105.07033	79.6
107.08587	3.5
109.02895	10.0
119.08562	4.6
120.08104	100.0
121.06606	2.7
123.08035	4.3
126.05538	5.3
127.03937	20.6
128.04214	2.4
131.08546	2.4
133.06177	12.2
133.10127	56.6
135.11693	2.4
137.05997	4.8
145.04953	8.7
145.10158	4.6
147.04359	2.1
151.07579	4.5
160.58199	2.0
161.09610	52.2
163.11185	32.7
167.05647	2.0
171.08133	2.6
179.10684	47.8
185.08116	4.1
189.09113	23.8
192.73824	1.9
199.63110	1.9
204.24094	2.0
207.10187	15.8
213.07535	2.5
223.14520	2.0
225.11269	3.5
233.16528	5.4
239.13913	35.0
257.14944	12.9
261.15961	5.4
263.10242	9.4
265.14404	3.2
275.12680	3.0
280.12964	16.1
287.05533	14.0
288.05881	22.8
293.13821	22.0
299.06223	4.1
305.13605	3.5
311.14771	2.5
321.13312	7.7
333.13321	7.6
339.14407	8.7
351.14417	28.1
404.21872	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	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
53.93528	1.5
55.01867	3.6
55.05496	2.4
57.03436	2.4
58.06594	4.0
69.03422	11.4
69.69643	2.3
69.70060	8.8
70.06578	4.6
71.04984	16.6
72.08141	2.7
73.84534	1.5
79.05489	5.4
81.03421	5.0
81.07050	8.4
84.08141	2.8
85.02905	9.0
86.09686	3.8
91.05456	13.3
93.07059	8.5
95.04955	2.4
95.08594	3.5
97.02893	19.6
98.20757	3.2
98.38708	1.4
99.04449	35.8
103.05467	3.2
103.76031	1.4
105.07025	98.9
107.04967	2.7
107.08589	7.1
109.02879	7.3
109.06541	2.9
109.10152	2.9
111.08074	2.8
113.46131	1.7
117.06974	1.9
119.04945	3.3
119.08578	4.5
121.06520	3.5
123.08071	3.8
126.80848	1.7
127.03928	8.2
128.06213	4.1
129.66653	1.5
131.04926	2.1
131.08566	4.1
133.04938	4.9
133.06502	10.7
133.10123	75.2
135.11705	2.1
137.05975	12.3
143.08543	9.0
145.04959	2.3
145.10123	6.7
146.07288	3.3
147.08051	2.8
151.03880	9.2
151.07574	5.0
151.11194	3.4
161.09610	100.0
163.11180	20.8
171.08167	3.3
179.10658	32.8
183.06566	2.4
185.08113	5.2
189.09093	43.4
203.07065	3.2
207.10164	18.8
213.07570	9.4
225.11197	22.8
231.08669	5.4
248.73120	1.7
265.14319	4.0
275.12732	4.3
293.13812	41.5
299.06094	2.7
303.12189	8.0
311.14883	3.4
316.92114	1.9
321.13364	17.6
333.13358	5.5
339.14362	13.7
351.14420	8.2
503.30093	2.0
536.21991	3.5
554.00769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80633	1.8
53.03944	2.0
55.05510	7.0
60.08168	1.9
67.05518	12.1
69.07056	4.0
69.46674	14.9
79.05506	14.2
81.07053	25.0
83.08606	2.1
86.09707	6.6
91.05476	22.7
93.07046	23.2
95.04956	5.2
95.08607	17.2
97.06514	1.7
105.07029	42.5
107.08583	25.9
107.09225	2.9
109.06544	3.0
109.10162	7.9
115.03925	25.8
115.05441	3.0
117.07040	12.4
117.56081	1.6
119.08586	35.3
121.10107	9.4
123.08103	2.8
123.11729	1.8
125.00015	3.5
128.06219	10.0
129.06999	15.4
130.07718	2.8
131.08551	28.5
133.10126	16.0
135.11691	6.0
137.99985	1.7
141.07010	6.9
142.07758	16.6
143.07501	3.0
143.08563	39.9
144.09315	4.1
145.06479	2.6
145.10117	36.7
145.11264	2.0
147.11699	13.8
149.13252	3.5
149.24617	2.2
153.07037	6.7
155.08560	21.1
156.09387	8.3
157.10124	41.7
158.10922	2.8
159.08017	3.9
159.11679	31.5
161.09666	3.0
161.13255	14.6
163.14824	2.6
165.06982	5.4
166.07758	2.2
167.08556	9.4
168.09395	3.8
169.10139	23.6
170.10936	3.0
170.39571	1.8
171.11713	20.1
173.09727	2.8
173.13208	11.3
175.06120	3.1
175.14738	3.1
178.13969	1.6
179.08598	5.1
180.09337	4.4
181.10092	14.1
182.10887	8.9
183.11674	14.8
184.07339	18.7
184.12430	3.1
185.07773	3.1
185.13254	22.6
187.14804	9.1
193.10175	8.1
194.10931	3.5
195.11700	26.2
196.12370	3.6
197.13258	62.7
197.15042	3.4
199.14816	100.0
201.16380	21.4
205.10144	2.8
207.11731	7.7
208.12602	3.4
209.13222	11.4
211.11275	2.0
211.14804	14.6
213.12816	6.7
213.16405	14.8
215.14351	18.7
215.17986	2.7
217.15973	4.9
219.11734	5.7
220.12411	3.9
221.13411	4.9
223.14914	6.6
225.16444	7.6
227.14333	2.8
229.15900	2.9
231.11673	2.2
233.13293	4.8
235.14836	8.6
237.16417	10.0
238.17178	2.3
239.18027	4.4
245.13237	3.4
247.14908	6.1
249.16379	10.7
251.17981	15.9
253.19601	4.9
261.16293	2.4
263.17953	6.4
265.19528	3.9
273.16544	3.3
275.17874	3.6
277.19574	3.1
285.16461	3.4
287.17828	4.5
289.19446	4.8
291.20987	2.7
299.17886	2.4
301.19571	3.7
313.19778	2.4
315.21198	3.3
329.22638	2.2
335.18552	2.7
341.22623	3.1
345.25842	2.5
355.24356	2.3
359.27435	4.3
361.29034	6.9
367.24438	2.9
369.25839	3.0
397.28906	33.8
397.33643	3.3
415.29987	22.6
433.31018	4.9
457.31128	11.6
475.31992	10.9
479.87836	2.1
517.33032	10.5
535.34186	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.3
55.05507	27.7
57.03433	6.6
57.06818	3.8
57.07074	56.5
64.59095	2.9
65.03947	5.2
67.05172	3.1
67.05505	60.0
68.53456	2.7
69.03436	3.2
69.07059	22.5
71.04985	4.3
71.08632	37.1
71.66427	4.7
79.05495	33.2
79.99731	3.0
81.03422	18.2
81.07047	47.0
83.04974	7.7
83.08617	26.1
85.10196	22.3
91.05469	21.7
91.16637	2.7
93.07043	25.0
95.04965	36.0
95.08602	42.8
97.06537	3.4
97.10162	12.4
98.11652	2.8
101.12489	2.9
102.62543	3.0
105.07034	11.8
107.04966	20.7
107.08585	15.5
109.06514	6.0
109.10137	18.8
117.07031	8.8
119.08570	5.0
121.06478	7.4
123.08128	3.7
123.11707	5.8
125.09639	6.2
131.08563	8.4
133.10139	5.7
135.07999	4.0
135.11682	6.2
145.10089	3.9
149.13197	3.6
159.11725	10.3
169.10117	3.5
177.12823	7.3
187.11298	5.7
205.12224	11.0
223.13278	77.5
227.12979	2.9
239.23656	10.2
241.14421	5.0
252.79887	3.2
279.15906	14.1
305.07025	3.1
313.27353	14.1
338.03027	2.8
443.35172	3.6
517.39362	3.5
535.32349	6.3
535.39954	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	535.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20172	0.4
53.03933	1.0
55.01857	1.1
55.05492	1.7
65.03924	1.0
65.90025	0.4
67.05499	2.3
69.03409	1.0
69.07056	0.9
71.64982	0.4
79.05493	3.7
81.03367	0.6
81.07047	6.2
83.04966	1.1
85.06527	0.4
86.09684	0.5
91.05472	11.2
91.64364	0.4
93.07034	5.9
94.36920	0.4
95.04953	2.4
95.08574	1.7
98.98173	0.4
103.05435	1.1
105.07018	13.5
107.04931	1.3
107.08584	17.2
109.06506	2.3
109.10132	0.7
115.05440	2.8
116.06208	1.4
117.07040	4.4
119.04907	0.9
119.07897	0.5
119.08579	5.4
121.06519	2.6
121.10132	0.5
123.04390	0.5
128.06204	6.8
129.06992	7.7
130.07785	0.9
131.04892	1.0
131.08560	23.5
133.06459	2.0
133.10123	4.2
135.04373	1.0
135.08104	0.5
141.06978	6.4
142.03000	0.4
142.07755	9.1
143.08553	15.5
144.05672	0.7
144.09343	2.3
145.06474	7.2
145.09024	0.6
145.10117	8.9
146.07230	0.5
147.04391	0.5
147.08015	2.3
147.11685	1.1
149.05956	2.3
152.06137	0.6
153.06966	7.9
154.07771	1.8
155.08545	14.2
156.09338	1.1
157.06543	0.6
157.09119	0.5
157.10115	13.0
158.07227	0.9
158.10890	1.1
159.04448	1.9
159.08047	10.8
159.11684	6.0
159.12877	0.7
160.08797	1.1
161.05952	1.3
165.07051	0.5
166.07736	0.9
167.08551	2.7
168.09332	22.5
169.06441	0.8
169.10165	2.1
170.10802	0.6
171.08028	1.8
171.11642	1.3
172.08847	1.0
173.05972	6.8
173.09622	3.8
173.13242	10.7
175.07516	1.1
175.11189	1.5
178.07759	1.0
180.76978	0.4
181.06459	0.9
181.10097	2.4
183.08139	1.2
183.11684	48.1
184.07320	1.0
184.12109	1.0
185.09630	0.4
185.13240	1.7
186.10408	1.1
187.07544	6.1
187.11154	3.2
193.10085	3.0
196.08763	2.0
198.46935	0.4
199.11163	0.5
201.09001	1.0
201.12729	23.1
211.11162	12.8
213.08908	0.5
214.09920	0.9
219.13777	1.1
229.12216	100.0
230.12541	1.5
236.22768	0.5
247.13228	3.7
289.14319	7.2
389.19632	0.8
535.26898	11.2
536.26245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
51.77247	0.2
53.03935	1.2
55.01857	0.4
55.05506	9.5
55.28511	0.2
56.04786	0.4
56.05034	6.3
57.06816	0.3
57.07072	4.4
58.02941	0.4
58.06586	0.8
60.04516	4.2
65.03936	1.2
65.76106	0.2
67.04221	0.7
67.05499	16.5
67.61314	0.2
68.05024	1.7
69.07061	10.6
70.06584	2.3
70.96899	0.4
70.97276	0.4
71.08629	1.9
72.04520	0.2
72.08130	0.2
77.03898	0.3
79.05486	13.8
80.05016	4.6
81.03406	0.4
81.05798	2.0
81.07049	14.2
82.06571	11.0
82.07067	0.5
82.07295	0.2
83.04953	0.7
83.08134	0.4
83.08613	6.1
84.08119	0.5
85.10181	1.0
86.06050	0.5
91.05472	12.5
93.05775	0.8
93.07034	13.0
94.06559	22.5
95.04965	1.9
95.07341	11.1
95.08597	10.4
95.09232	0.3
96.08117	6.0
97.06500	0.6
97.10163	3.2
97.67922	0.2
98.06049	0.7
100.07599	0.7
103.05428	0.2
105.04518	0.4
105.07021	8.0
106.06551	0.3
107.07323	0.8
107.08578	6.2
108.08110	4.4
109.06530	0.3
109.09442	0.4
109.10137	4.6
110.09671	0.4
111.11700	0.9
112.07610	0.3
117.06973	0.4
119.08571	6.9
120.08051	0.5
121.08833	0.7
121.10124	7.2
122.09662	2.7
123.11687	1.5
124.11198	0.3
131.08568	0.3
133.10114	4.4
133.79193	0.2
134.09616	0.3
135.10463	0.7
135.11671	3.9
136.11192	1.4
137.13245	0.6
147.11652	1.8
148.11034	0.3
149.12173	0.2
149.13197	1.0
150.12762	0.3
151.14754	0.6
161.13254	1.2
163.14793	0.4
165.16357	0.2
170.19099	0.3
175.14812	0.3
182.19002	0.4
189.16440	0.3
191.17918	0.7
193.19456	0.3
217.19507	0.3
219.21082	0.7
220.20592	0.3
232.88510	0.2
233.16498	0.2
233.22647	4.5
234.22163	0.8
245.22656	4.1
245.25211	0.3
250.25275	9.6
254.24678	0.9
260.23773	0.3
262.25272	100.0
263.23291	0.5
263.25690	0.8
266.24603	0.3
272.25803	5.1
280.26324	10.7
310.27597	0.3
504.47794	2.5
516.40265	0.4
516.47766	6.6
534.48700	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	535.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.4
55.05507	10.2
57.03453	11.8
64.01357	7.0
67.05510	18.6
69.03418	25.4
69.96414	5.6
70.06598	30.7
71.04971	8.9
71.15446	13.2
72.08169	9.3
79.05503	19.5
81.03412	17.0
81.07047	40.2
84.08120	7.6
85.02898	59.2
85.06554	6.6
87.00822	24.0
91.05479	27.3
93.07031	26.7
95.08609	23.8
97.02887	29.3
97.06509	10.7
99.04435	9.7
105.01870	13.0
105.07032	55.0
107.05016	8.1
107.08582	27.4
109.02863	14.7
109.06533	13.4
111.04345	6.4
117.07005	46.9
119.08609	50.4
121.06506	10.1
121.10159	10.8
123.07932	5.9
125.26385	6.1
127.03889	29.3
131.08556	45.2
133.10139	26.9
135.11743	13.4
137.06015	8.5
142.07751	11.3
143.08543	20.9
144.09230	6.8
145.10120	45.2
147.04407	14.7
147.08055	9.0
147.11655	11.4
148.04781	6.8
155.08546	28.7
156.09291	9.0
157.10124	40.9
159.08047	13.1
159.11678	86.2
161.09544	6.9
161.13231	33.4
163.03896	13.1
164.72543	8.0
169.10130	22.4
171.11717	25.3
173.09630	7.6
173.13242	32.9
175.11244	9.2
177.12704	43.2
182.10904	18.6
187.14845	37.9
189.12592	8.0
191.14462	7.5
197.13287	41.1
199.14868	15.0
201.12599	6.4
203.14359	11.9
205.15782	8.6
215.14326	96.8
217.15826	31.6
233.15381	78.1
235.16971	44.1
251.16440	100.0
269.17505	55.9
284.09058	8.1
287.18439	8.4
337.14777	7.3
465.29306	8.4
535.18488	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01873	2.0
55.05488	0.3
57.03443	1.2
61.02932	1.2
67.05500	0.5
68.99792	1.4
69.03429	7.3
69.07037	0.4
69.54996	0.7
69.55418	1.5
70.06577	1.0
71.04989	1.6
72.08143	0.4
73.02924	1.7
79.05492	0.6
81.03416	8.1
81.07047	1.2
83.04963	0.8
84.08142	0.4
85.02901	11.4
86.09711	0.8
87.00823	4.8
87.04462	0.7
91.03967	0.3
91.05469	0.6
92.58031	0.2
93.07038	1.0
95.04943	0.9
95.08608	0.6
97.02887	4.5
97.06499	0.5
98.20791	0.4
99.04446	2.7
105.01859	2.8
105.03399	0.4
105.07050	1.3
107.04940	0.6
107.08605	0.6
109.02880	6.7
109.10155	0.5
110.92297	0.2
111.00806	0.8
111.04448	0.3
111.08090	0.5
115.03953	0.5
117.01853	1.0
119.08587	0.5
120.08096	0.2
121.02847	3.5
121.06476	0.5
121.10116	0.7
122.02371	1.2
127.03915	9.1
129.01805	0.9
129.05473	0.4
131.04883	0.4
131.08543	0.4
133.02834	0.6
133.04955	0.4
133.10088	0.6
135.08064	0.5
137.02310	0.8
137.06024	0.6
145.04956	2.8
145.06107	0.3
145.06454	0.3
145.10014	0.3
147.02948	0.4
147.04381	0.7
147.11682	0.7
153.01833	4.0
157.04956	1.5
157.06439	0.5
159.02893	4.3
161.05959	0.5
163.03893	0.4
165.01843	2.0
165.12799	0.5
169.12234	0.8
171.04414	0.3
175.06079	2.0
175.11154	0.6
177.05389	0.4
183.02884	1.0
185.06015	0.5
189.09210	0.3
193.12219	0.7
207.13879	0.3
211.13283	0.7
213.05531	1.5
215.07143	0.4
217.12321	0.4
231.04813	0.6
231.06824	0.4
235.55408	0.3
241.04987	1.2
254.11557	0.3
258.05331	1.3
259.06012	0.6
287.05493	100.0
288.05908	1.2
329.06519	0.4
377.90735	0.3
410.24823	0.3
535.15564	0.5
535.22742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	2.5
55.01867	2.1
57.03440	1.5
61.02918	0.8
68.99788	1.4
69.03081	0.4
69.03428	6.2
69.07031	0.3
69.32352	0.9
69.32780	2.1
71.04976	1.1
72.56489	0.2
73.02927	1.5
80.48457	0.3
81.03416	8.8
82.76261	0.2
83.01334	0.3
85.02902	11.8
87.00827	5.4
91.03948	0.6
97.02891	3.9
98.21494	0.7
99.04446	3.1
105.01868	3.4
105.07024	0.6
107.04956	0.7
109.02876	6.7
111.00797	0.9
111.05640	0.3
117.01834	1.0
121.02869	3.1
121.06490	0.4
123.66693	0.3
127.03915	9.2
129.01811	0.9
133.02853	0.5
133.10141	0.5
137.02338	0.6
137.05968	0.7
145.04964	3.0
147.02853	0.5
153.01833	4.0
157.06485	0.6
159.02904	4.3
161.05942	0.5
165.01834	1.4
167.06995	0.3
171.04449	0.3
173.34897	0.3
183.02910	0.9
185.05980	0.4
212.88060	0.3
213.05478	1.0
228.35313	0.3
231.05020	1.0
241.04994	1.1
258.05267	1.0
259.05975	0.5
287.05493	100.0
288.05853	2.1
293.86484	0.3
311.75272	0.3
329.06403	0.5
340.35382	0.3
482.57101	0.3
493.90808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05512	6.6
56.05031	1.3
57.05818	1.2
58.06573	0.4
60.04222	0.7
60.04524	11.5
65.68000	0.4
68.05025	0.5
69.03443	0.8
70.06589	3.7
71.04980	0.7
71.25089	1.0
72.08155	100.0
73.08488	0.8
74.06072	2.5
75.87598	0.4
78.11912	0.4
80.76410	0.4
81.03426	0.7
81.07070	0.4
84.04505	0.9
84.08150	0.6
85.02901	1.8
86.09707	34.5
91.05480	0.9
93.07072	0.4
95.04989	0.6
97.02889	0.8
97.06519	0.4
98.06064	4.3
98.09712	0.7
99.25273	0.4
99.37454	0.4
101.07168	1.0
107.04961	1.8
112.03992	2.7
115.05515	0.4
116.07089	15.6
125.07160	0.7
126.05562	0.6
127.03918	0.8
130.05035	0.6
131.52292	0.5
134.04494	0.5
137.05992	1.0
141.06599	0.5
143.08128	5.4
145.04980	0.6
147.04425	1.5
153.06624	0.6
155.11836	0.9
157.10161	0.8
159.11351	0.9
161.09212	5.6
163.03914	1.0
171.07652	21.5
173.12851	2.7
174.05623	0.5
175.07506	0.7
176.05673	0.4
183.11375	0.9
185.13322	1.1
185.16498	5.6
189.08694	9.6
201.12355	1.1
213.16005	7.3
225.12378	1.9
226.06949	0.6
241.09717	0.4
242.14978	2.3
243.13280	0.7
247.12906	12.9
269.11835	0.9
270.14493	33.5
271.14651	0.6
286.14572	1.3
288.15533	21.4
323.40024	0.4
342.06879	1.0
346.19852	2.5
356.21780	0.6
372.12759	1.4
373.24542	2.4
374.54889	0.5
383.22952	1.1
401.23969	5.5
490.21039	0.5
534.19763	1.6
534.29156	2.3
545.08240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.1
57.03431	8.5
57.07047	10.3
67.05180	6.4
67.05506	79.4
69.07066	29.2
70.32572	9.8
70.32967	8.2
71.08633	7.6
74.87881	4.4
79.05486	23.4
81.07057	100.0
83.08621	26.2
85.02904	5.0
85.06516	4.8
86.09698	8.1
88.52310	3.5
91.03993	4.3
91.05482	14.4
93.07037	28.4
95.08605	92.1
97.06510	7.9
97.10147	15.8
104.10735	15.7
105.07014	12.7
107.08572	18.5
109.10156	39.6
111.08081	6.7
119.08551	13.3
121.10161	21.6
123.11697	19.9
127.55895	3.5
133.10153	20.9
135.11713	16.9
137.09618	4.6
137.13242	9.6
141.12727	4.2
147.11694	9.5
149.13254	17.8
151.14853	4.8
155.14354	3.9
158.97054	3.8
161.13257	12.5
163.14824	7.5
165.16389	8.9
175.06465	3.5
175.14816	16.5
179.17941	4.9
184.07364	11.2
212.04454	3.7
245.22641	71.1
263.23703	77.3
309.24103	4.7
337.27341	69.0
355.28186	8.6
497.33841	3.5
544.76727	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03925	1.9
53.84681	0.6
55.01859	1.9
57.03415	0.9
60.91890	0.5
61.02914	2.6
69.03424	8.2
69.86457	2.5
69.86870	1.3
70.06576	1.0
71.04966	0.8
73.02888	0.7
78.04701	2.8
79.05489	10.2
81.03416	3.0
81.07066	1.4
85.02900	13.7
87.04462	1.1
91.03940	0.8
91.05480	4.9
92.75523	0.6
95.04963	2.4
97.02895	4.6
98.20840	0.9
99.04453	1.0
103.05456	3.0
104.06238	1.2
105.04551	0.7
105.07028	7.0
106.04160	1.8
107.04949	21.3
109.02853	2.1
115.05420	4.7
116.06217	0.7
117.06997	1.9
118.04102	1.3
119.08575	2.8
121.02776	0.8
121.06503	1.7
122.03658	0.9
123.04433	5.9
124.05215	5.1
125.05968	1.5
127.03878	3.5
128.06236	4.1
129.06984	5.0
131.04884	4.3
132.05710	4.4
132.23642	0.6
133.06462	5.9
133.10141	1.0
134.03638	0.8
137.05956	2.3
141.06966	2.0
143.04970	0.6
144.05661	1.2
144.34914	0.6
145.04938	1.2
145.06448	1.5
146.05965	0.7
147.04378	1.1
147.08014	4.1
149.05960	1.0
151.03873	1.8
152.04657	2.7
153.05423	1.8
155.04874	0.8
156.05647	1.2
157.06491	1.1
159.08015	6.0
160.05185	2.9
161.05963	7.3
163.07544	1.0
166.08636	1.5
167.07033	100.0
168.05728	1.0
168.07297	1.6
169.06500	1.7
171.08006	2.4
172.05138	0.9
173.05884	0.9
175.07538	35.8
176.04669	1.6
176.06244	0.6
176.07845	0.8
177.05473	0.8
178.06374	0.8
178.07790	1.0
179.07036	1.0
181.06483	0.9
184.05179	2.1
185.06044	0.7
187.07527	13.2
189.06981	1.9
189.09074	1.7
190.07768	2.4
191.07011	12.0
191.08456	0.8
192.07779	1.1
193.08592	13.3
193.10281	1.1
199.07518	12.4
201.09026	3.3
202.07797	2.5
203.08601	3.7
204.09299	0.7
205.06587	0.8
205.10167	1.0
206.07291	1.4
207.08037	2.1
209.08066	1.1
215.08629	2.7
217.06499	0.8
217.08545	1.2
218.07291	5.7
219.08031	3.6
221.09662	3.1
223.07460	0.8
229.06554	1.5
231.08115	3.1
232.08833	1.9
233.09573	6.0
234.06705	2.2
235.07425	3.7
243.08040	1.6
245.05942	1.0
246.06824	2.9
247.07571	2.8
248.08376	0.8
249.09120	4.7
250.09882	1.4
251.07086	1.5
252.07951	0.6
257.06000	0.9
259.07480	1.6
260.08307	1.8
261.09064	6.5
262.06311	0.5
262.09708	1.2
263.07031	2.3
263.10651	0.9
266.09323	1.2
273.08966	0.7
274.06219	1.4
275.07123	1.8
275.10608	0.8
276.07709	1.1
277.05789	0.6
277.08530	3.3
278.09317	3.3
279.10104	0.9
281.11658	5.2
289.08585	7.1
290.09299	1.8
291.06564	1.6
291.10178	1.7
293.11685	3.9
294.08871	1.0
295.09601	1.1
305.08185	0.8
306.08990	3.1
307.09515	3.0
309.11118	5.5
321.11191	12.9
322.11905	4.0
323.09119	1.4
323.12701	1.3
325.10806	0.7
325.14340	2.5
326.11273	2.9
338.11539	1.7
341.13788	14.3
342.14020	0.6
353.13818	21.1
355.15164	2.0
368.09659	1.0
402.15427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01725	0.1
55.05515	0.2
56.05040	0.3
58.06622	0.5
59.07389	0.3
60.08160	6.8
66.77694	0.1
67.05493	0.5
70.06590	0.3
70.40779	0.1
71.07368	3.5
71.07748	0.3
71.64702	0.2
73.05857	0.1
79.05479	0.4
79.32555	0.1
79.72202	0.1
81.03393	0.2
81.07053	0.4
86.09699	33.3
87.10024	0.3
91.05482	0.5
93.07037	0.5
95.08584	0.2
95.33781	0.1
96.48915	0.2
97.06526	0.2
98.98452	3.0
104.10741	4.1
105.07035	0.2
107.08631	0.3
109.10188	0.2
111.03487	0.1
116.99485	0.2
121.10179	0.1
124.99997	23.0
126.12177	0.2
140.35486	0.1
143.01024	0.6
143.49954	0.2
160.93336	0.1
162.97369	0.1
166.02701	0.2
184.07329	100.0
185.07660	0.6
218.78815	0.2
242.97206	0.2
258.10962	0.2
266.20764	0.1
349.42889	0.2
398.70538	0.1
516.30945	1.0
534.32288	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01863	3.4
55.05510	31.1
57.03439	13.4
57.07076	3.8
65.03934	3.8
67.05505	69.3
69.07073	26.5
71.01357	2.5
71.04982	6.6
71.62820	3.5
74.09684	1.9
75.84429	2.1
79.05495	59.0
81.03385	2.2
81.07058	67.3
83.04977	7.8
83.08624	15.0
85.06533	4.5
85.59893	2.0
91.05482	51.5
93.07042	64.1
95.04946	7.4
95.08607	39.1
97.06522	10.9
97.10149	12.0
97.11564	2.3
105.07028	58.2
107.08595	46.5
109.06563	4.1
109.10152	23.2
111.08097	4.8
117.07003	20.1
119.08584	48.7
121.06527	2.4
121.10139	23.6
123.08062	3.9
123.11717	6.7
125.09618	7.2
128.06242	6.1
129.06993	19.1
131.08574	46.8
133.10127	45.8
135.08104	3.3
135.11702	36.2
137.09578	2.6
141.06969	5.0
142.07727	5.0
143.08569	25.9
144.09334	2.5
145.10126	45.7
147.11688	37.1
149.09660	3.3
149.13252	7.1
151.11212	6.7
155.08542	9.0
157.10121	30.5
159.11687	35.5
161.13263	22.4
163.11209	4.9
167.08553	3.8
169.10161	11.7
171.11687	23.5
173.13263	23.6
175.11180	2.6
175.14796	13.0
176.31190	2.0
177.12798	3.1
177.38904	2.2
181.10059	3.4
181.12241	4.3
182.06772	2.1
183.11691	15.6
185.09746	2.9
185.13249	21.1
187.14809	13.8
189.12711	2.9
193.01268	2.5
195.11711	7.5
197.13225	12.7
199.14789	11.1
201.16443	3.9
203.64641	2.4
209.13354	4.4
211.14803	6.1
213.16393	5.2
223.14789	6.1
225.16391	2.8
231.21086	3.6
239.17957	2.9
241.19608	16.9
243.20987	2.7
253.14362	9.9
255.15906	26.0
259.20605	39.6
261.22174	8.6
269.19174	4.3
269.22406	2.2
277.21725	2.5
285.21991	3.5
297.22238	3.8
299.23752	3.1
311.23767	3.1
315.23328	5.7
333.24185	11.1
337.24899	2.4
365.24823	2.6
379.83725	2.1
393.31589	5.0
403.29761	6.3
409.31165	5.4
411.32733	12.3
421.31027	26.1
429.33566	3.4
439.32047	18.8
457.33255	20.9
485.36194	10.1
495.34537	8.4
501.35745	9.1
503.37231	38.2
513.35779	100.0
531.36859	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01859	6.6
55.05508	27.4
56.35981	3.0
57.03419	8.7
57.07058	3.1
61.02896	4.0
63.37474	3.1
65.03947	3.9
67.05497	91.0
69.03421	19.7
69.07060	19.2
69.90139	6.7
69.90555	11.0
71.04963	5.0
72.76688	2.8
79.05482	68.1
81.03395	13.7
81.07044	100.0
83.04945	7.5
83.08591	12.4
85.02882	18.0
91.05466	42.8
93.07033	89.6
95.04949	9.7
95.08032	5.8
95.08595	75.2
97.02870	12.6
97.06515	6.6
97.10109	6.0
98.21319	4.6
99.04441	6.1
105.07017	34.9
106.04903	3.3
107.04930	4.4
107.08578	48.6
109.02875	4.3
109.06517	8.0
109.10139	36.0
111.04395	6.2
117.07017	17.1
119.08556	29.8
121.06481	4.9
121.10123	48.2
123.08060	5.5
123.11686	14.1
125.09619	3.9
127.03880	5.2
128.06186	3.4
129.05470	3.7
129.06975	6.9
131.08562	32.9
133.10107	28.7
133.75404	2.9
135.08076	3.8
135.11665	32.3
137.09549	3.1
137.13237	6.8
139.11174	3.6
141.06985	4.7
143.08519	5.9
145.10117	31.5
147.07932	3.2
147.11670	21.5
149.09608	3.6
149.12212	3.6
149.13213	22.1
157.10110	4.2
159.07944	4.0
159.11678	21.9
161.13252	17.2
163.14816	10.5
169.10083	3.9
171.11687	8.3
173.13281	18.1
175.14745	7.2
177.12753	3.4
179.14278	4.2
183.11723	3.4
185.13286	5.6
187.14781	12.5
197.13150	3.7
199.14822	4.7
243.21069	24.8
247.17229	3.5
259.20535	5.9
261.22131	74.2
273.21988	4.1
277.14209	4.0
277.21512	4.7
279.23160	3.9
291.23276	4.2
301.21426	4.3
303.23224	11.8
313.21432	6.1
315.23181	6.1
319.22675	5.7
335.25754	6.6
341.25000	5.5
345.24332	3.6
351.23044	11.5
352.13440	3.1
353.26859	15.6
359.25842	3.4
369.24069	24.2
387.25165	22.0
405.26361	23.0
414.00766	3.4
423.27359	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	530.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01852	0.9
57.03423	0.5
62.01667	0.4
68.99790	0.4
69.03423	3.4
70.06574	0.8
71.04947	0.5
71.22108	1.0
72.08148	0.7
73.02908	0.4
74.06045	0.4
81.03409	2.9
84.08117	1.1
85.02894	5.1
86.09686	1.2
87.00805	1.1
97.02891	1.6
99.04435	1.1
100.67352	0.4
103.03864	0.4
105.01828	0.6
109.02878	2.5
127.03918	4.4
129.01779	0.6
130.34502	0.4
145.04936	1.4
147.02870	0.4
159.02864	0.8
178.07739	0.5
179.08554	2.1
181.10089	0.8
187.06081	0.7
189.06953	1.8
190.07755	0.5
191.08525	2.3
193.06505	0.4
194.07253	1.1
195.08028	0.5
203.08521	0.4
205.06425	0.8
206.07219	0.7
207.08038	31.9
208.08458	0.6
209.09641	3.3
217.06461	0.8
218.07310	1.2
219.08034	4.8
221.05974	0.7
223.07526	1.0
231.04993	0.7
231.08076	0.7
234.06812	0.5
235.07526	26.3
236.08017	0.8
237.09120	2.3
238.06207	0.4
245.07094	1.1
247.07503	1.6
248.08266	1.5
249.09256	0.8
259.07474	0.5
263.07034	0.4
264.07761	0.5
265.08575	100.0
266.08936	2.2
277.08569	1.2
279.10040	0.6
282.11234	10.8
282.14362	0.7
289.08527	0.8
307.09634	2.6
307.41205	0.4
331.09637	0.8
339.09335	0.3
427.13672	1.1
439.13773	0.7
444.16641	0.4
468.16437	0.5
469.14908	7.8
503.94333	0.4
513.13904	30.7
514.14093	0.8
530.16522	18.0
530.24530	0.9
545.87866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01851	6.5
55.05511	21.0
57.03417	5.1
57.07059	4.8
65.03921	5.5
67.05503	100.0
69.03423	4.0
69.07067	21.7
71.04985	8.3
71.38581	2.1
71.38890	1.9
79.05491	60.0
81.03388	2.8
81.07054	85.6
82.07372	1.6
83.04984	9.1
83.08610	9.6
85.06516	6.6
87.04455	5.4
87.86078	1.9
91.01128	1.8
91.05475	64.0
93.07039	69.9
94.07408	2.1
95.04974	8.5
95.08601	41.4
97.06505	6.4
97.10130	2.6
99.04419	3.5
99.08076	2.9
105.04469	1.9
105.07029	63.4
107.08591	59.4
109.06510	8.5
109.10153	84.2
113.06005	3.6
117.07008	8.5
119.08584	15.2
121.10134	23.9
123.08067	3.1
123.11711	12.1
127.07529	3.5
128.06180	1.9
131.08559	15.9
133.10126	95.1
135.11708	16.5
137.09619	1.8
143.08534	2.8
145.10118	8.9
147.11655	7.1
149.13232	10.3
151.09943	2.9
151.11179	55.1
157.10063	2.4
159.11716	9.0
161.09575	1.9
161.13245	4.9
163.11197	1.8
163.14798	3.0
169.12230	15.8
171.11623	1.8
173.13220	8.1
175.14864	2.5
179.14293	1.9
185.13127	2.3
187.14865	3.6
201.16414	2.2
215.12720	7.2
233.22586	1.7
243.20984	6.2
253.14342	87.3
261.22110	24.0
271.15411	3.3
277.21387	3.6
317.24689	5.5
355.74182	1.7
421.30835	2.4
439.32089	6.2
457.32916	8.1
503.37109	2.3
513.35852	15.4
531.36743	85.2
533.76117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01869	5.8
55.05512	25.1
57.03424	6.4
57.07064	4.2
59.66746	3.3
65.03923	5.2
67.05503	100.0
69.03430	6.3
69.07062	27.1
70.20028	3.5
70.21195	15.3
71.04977	9.9
79.05495	63.3
81.03406	10.4
81.07053	94.1
83.04964	9.7
83.08611	7.2
85.06535	8.7
87.04453	13.5
91.05481	71.1
93.06485	3.9
93.07045	62.1
95.04962	12.7
95.08602	36.7
97.06511	4.9
99.08070	3.5
103.99649	3.2
105.07024	57.3
107.04966	4.0
107.08590	62.9
109.06525	10.5
109.10151	75.7
113.06010	5.2
117.07029	7.3
119.08566	19.5
121.10121	25.9
123.11710	14.1
127.07529	6.5
129.07031	5.8
131.08562	14.5
133.10127	93.7
133.80409	2.9
135.11676	16.6
143.08557	3.8
145.10103	10.1
147.11714	5.4
149.13258	7.9
151.11176	52.9
158.54054	2.9
159.11696	5.0
161.09567	3.7
161.13258	4.8
169.12224	12.0
171.11652	3.4
173.13196	4.1
179.14333	3.3
190.04601	3.0
190.21474	3.2
215.12767	5.9
253.14355	85.6
261.22162	24.9
317.24780	7.7
330.29114	3.4
421.30621	3.9
439.31827	7.1
457.33014	6.7
513.35687	13.5
531.36871	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01879	2.3
55.05511	15.0
57.03427	3.2
57.07065	4.4
65.03928	3.4
65.04235	0.9
67.05503	51.3
69.03431	1.2
69.06721	1.1
69.07067	15.0
71.04992	2.7
71.64732	1.6
75.42458	0.8
79.05495	35.6
80.05839	1.3
81.03418	7.9
81.07058	56.1
83.04984	2.9
83.08617	10.6
85.06529	2.6
86.23823	0.9
87.04466	19.8
88.07642	1.1
91.05478	28.5
93.07041	44.9
95.04963	6.6
95.08606	29.4
97.06523	5.9
97.10161	2.7
102.09196	1.2
105.07027	17.6
107.04961	1.6
107.08591	22.5
109.06499	2.2
109.10157	12.6
111.08099	3.5
117.07015	11.4
119.08584	15.6
120.08954	1.0
121.06544	1.6
121.10139	16.8
122.10379	1.0
123.08060	1.8
123.11711	4.3
125.09654	2.0
128.06270	1.3
129.07028	5.1
130.07829	1.0
131.08577	16.7
133.10127	14.4
135.08130	1.0
135.11688	10.1
137.09602	1.4
141.06981	1.6
142.63907	1.1
143.08554	5.6
144.09146	1.0
145.10123	9.9
147.11693	6.7
149.09584	1.8
149.13258	13.0
155.08612	1.8
157.10165	5.4
159.11690	12.6
161.13280	4.0
163.11174	1.3
167.08620	1.0
169.10117	1.5
171.11688	3.1
173.13258	3.7
175.11314	1.8
175.14929	1.4
177.12820	1.5
181.10216	1.9
183.11761	1.9
185.13263	3.8
187.14839	3.2
189.16455	1.4
193.12325	2.9
195.11772	1.8
195.13838	3.8
197.13258	2.2
199.14891	2.6
209.13344	2.0
213.16505	1.6
225.16632	1.2
227.18033	1.4
256.26395	8.4
261.22180	2.2
275.20139	1.2
285.22238	1.8
299.23892	1.4
317.24796	1.3
325.25278	1.3
419.33249	2.4
437.34152	7.4
455.35294	4.2
473.36084	2.0
511.37881	5.0
529.38953	100.0
530.39185	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
53.03943	5.3
55.01867	4.8
55.05508	18.3
55.91282	1.2
57.03442	16.2
65.03903	1.1
67.05507	26.6
69.03403	4.3
69.07074	6.6
71.04992	3.8
71.62656	2.1
79.05065	1.9
79.05490	26.2
80.52738	1.3
81.03417	70.7
81.07055	27.0
82.03790	1.2
83.04982	21.7
83.08620	20.8
85.02909	23.6
85.06546	3.1
91.05484	34.2
93.07044	17.7
95.04970	30.6
95.08603	10.4
97.02886	4.4
97.06512	3.4
97.10188	4.2
99.08093	2.0
105.07031	24.1
107.04979	6.3
107.08588	9.3
109.06502	7.3
109.10151	2.0
111.04446	2.5
111.08070	13.0
113.06042	2.5
115.05448	1.8
117.07028	2.0
119.08579	19.5
121.10124	7.8
123.08076	3.7
123.11733	2.1
129.06993	12.2
131.08562	15.0
133.06493	3.1
133.10130	15.0
137.09605	2.9
140.63483	1.2
142.07758	2.6
145.10118	2.5
147.08017	2.9
147.11681	16.5
149.09651	7.9
157.10141	19.1
163.03947	1.5
163.11156	2.4
164.11391	1.2
165.12772	1.8
175.11192	19.4
193.12242	73.5
211.13281	100.0
267.15900	28.7
285.16962	89.8
285.20203	2.4
286.17712	2.1
350.24258	1.6
367.22574	1.9
385.23605	2.1
459.27158	8.0
477.28488	9.4
495.29517	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	528.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23092	3.6
53.03938	4.5
53.57234	3.8
55.05507	14.0
57.07061	3.8
57.10371	3.8
59.92870	3.7
67.05503	46.8
67.12137	3.8
69.07066	25.4
79.05478	24.9
81.07055	100.0
83.08628	5.2
85.06530	7.8
88.11061	4.3
91.05484	18.5
93.07043	39.5
95.04980	7.7
95.08599	70.2
105.07027	44.9
107.04964	4.6
107.08597	38.1
109.10159	74.7
111.08009	4.3
117.07001	11.3
119.08582	40.6
121.10160	14.2
123.11713	18.6
129.07034	7.4
131.08600	27.3
133.06554	4.2
133.10103	21.6
135.11729	15.2
137.13228	20.6
142.07832	8.6
143.08546	17.5
143.19637	4.5
145.10100	21.3
147.08061	5.5
147.11716	14.0
149.13359	5.5
155.08545	10.7
157.10143	27.8
159.11691	32.1
161.09561	5.1
161.13275	7.5
167.08519	5.2
168.09250	4.8
169.10115	12.4
171.11703	13.1
173.09662	6.8
173.13321	6.7
175.11212	18.9
181.10143	8.2
183.11752	11.2
185.13304	7.5
187.11156	4.6
193.10188	6.5
195.11749	14.0
197.13344	8.1
199.14827	8.4
207.11823	7.2
209.13342	12.2
211.14841	11.9
216.20847	4.2
223.14825	8.8
225.16389	8.1
229.12273	4.2
235.14900	4.7
237.16492	5.4
239.18149	5.2
251.17940	5.3
253.19382	7.1
269.18933	15.3
283.20541	5.1
297.18576	8.3
405.31531	11.6
433.30981	9.2
451.31686	4.8
507.03934	5.0
528.37512	17.4
529.38947	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	1.7
55.05267	1.0
55.05512	13.8
57.03418	3.8
57.07065	2.6
61.82667	0.9
65.03921	1.3
67.05502	27.4
69.07063	11.2
71.04974	1.8
79.05057	1.6
79.05488	18.5
81.03419	1.5
81.06583	1.9
81.07050	30.5
83.04984	2.5
83.08614	7.1
85.06533	2.5
91.05479	20.6
93.07041	19.4
94.76550	0.8
95.04965	2.9
95.08603	19.9
97.06516	3.5
97.10165	3.7
98.21499	2.1
99.08069	1.5
103.05488	1.0
105.07030	21.5
106.63318	0.8
107.08600	12.2
109.06541	1.5
109.10153	11.4
111.08063	1.4
113.67730	0.9
115.05412	1.4
116.87502	0.8
117.07020	13.5
119.07693	1.1
119.08573	18.8
121.06544	1.2
121.10150	7.0
123.11682	1.8
125.09621	2.3
128.06210	3.2
129.07001	13.2
130.07738	1.0
131.08566	24.3
133.06421	0.9
133.10124	13.0
135.06467	0.9
135.08011	0.8
135.11690	5.0
139.11122	0.8
141.06984	4.5
142.07758	3.4
143.08553	20.1
144.09375	1.1
145.10115	18.6
147.11681	5.1
149.09644	1.1
149.13245	2.9
151.11163	1.2
154.07733	1.4
155.08546	11.6
156.09358	1.9
157.10129	17.9
159.08055	1.3
159.11700	12.0
161.13286	2.3
167.08600	5.2
169.10121	14.7
171.11668	14.6
173.13226	8.7
175.11230	1.1
175.14793	1.3
177.12642	1.1
179.08519	1.6
181.10133	7.9
183.11694	13.9
184.51266	0.8
185.09717	1.1
185.13269	9.2
187.14861	3.3
193.10178	2.9
195.11751	5.8
197.13266	9.0
199.14807	6.5
201.16356	1.9
207.11720	3.0
209.13303	5.8
211.14870	4.6
213.16396	3.2
219.11676	1.0
221.13257	3.0
223.14774	4.2
225.16307	3.9
227.18001	1.6
235.14810	2.8
237.16370	2.8
239.17981	1.5
241.19557	1.0
249.16438	1.1
251.18069	1.3
256.26419	1.6
259.20670	1.1
263.18066	1.6
279.21341	1.1
283.20560	1.4
285.15186	1.0
285.18378	1.4
295.20572	2.0
297.22238	0.9
309.22052	2.3
311.23737	2.3
313.21487	1.7
323.20203	0.9
323.23633	3.3
325.21545	1.1
325.25491	1.0
327.23196	1.5
329.24661	1.2
335.23862	1.1
337.25183	1.2
341.24567	1.3
349.25217	1.2
417.31586	4.6
425.34296	1.1
435.32565	19.4
436.33240	1.0
453.33569	10.0
454.33939	1.0
471.35080	4.4
473.34027	1.5
491.35236	1.2
509.36197	10.5
510.36789	0.9
527.37286	100.0
528.37622	4.5
528.75708	0.8
540.48920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21354	5.4
55.05496	25.3
57.07064	15.2
57.17047	5.8
67.05503	44.2
69.07076	43.8
69.59361	47.5
70.06602	8.2
71.08637	8.9
72.62862	6.3
79.05502	31.2
81.07051	100.0
83.08641	12.8
85.06524	10.2
91.05470	38.1
93.07040	49.1
95.04974	12.2
95.08606	56.9
105.07005	42.0
107.08591	33.3
109.06479	8.3
109.10124	26.6
117.07008	20.6
119.08583	32.1
121.10065	13.2
123.11739	12.4
124.77515	7.7
129.07028	15.4
131.08557	29.6
133.10112	24.7
135.11678	13.2
137.13199	15.2
142.07748	16.9
143.08557	13.5
145.10107	23.1
147.11661	12.6
149.13246	11.7
155.08566	23.2
156.22713	7.0
157.10117	21.4
159.11684	39.3
160.98317	6.3
161.13333	9.0
169.10097	15.6
171.11734	8.5
175.11212	17.6
181.10194	7.4
183.11751	14.8
185.13304	7.8
197.13171	11.5
199.14760	9.5
213.12750	6.9
221.12968	6.1
223.14828	8.0
249.16234	8.2
263.17804	5.9
268.45456	6.2
272.25885	14.5
283.26309	25.2
320.79214	6.7
347.27301	6.4
405.31613	13.6
498.07428	6.3
528.49939	37.8
529.38452	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	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
53.40601	2.6
55.01867	12.4
55.05509	31.8
57.03437	23.0
59.04990	4.7
59.44406	2.1
67.05505	32.8
69.03412	4.1
69.07053	8.1
71.04979	7.4
74.03245	2.1
74.27084	2.2
75.58981	2.4
79.05073	3.3
79.05492	41.8
81.03414	84.9
81.07053	45.2
83.01330	8.5
83.04985	25.8
83.08623	32.2
85.02903	26.4
85.06538	3.4
91.05476	44.8
93.07037	35.9
95.04967	34.0
95.08584	14.6
97.02882	5.0
97.06521	9.5
97.10168	6.8
99.04473	5.1
105.07026	34.1
107.04956	13.8
107.08578	19.5
109.06521	11.2
109.10147	5.8
111.04417	6.1
111.08072	12.6
117.06998	11.1
119.08583	30.6
121.06465	3.8
121.10143	12.9
123.08043	10.5
123.11610	2.3
125.09614	3.8
129.06964	9.9
130.07779	4.0
131.08580	13.7
133.06485	3.0
133.10114	12.9
135.11694	12.0
137.09641	6.1
142.07811	2.9
145.10130	18.0
147.08012	7.7
147.11697	14.2
149.09605	7.6
155.08450	2.9
157.10114	13.9
163.11198	31.3
165.12776	3.3
165.52505	2.2
175.11241	15.3
181.12209	5.7
191.10620	4.4
193.12234	51.8
204.29846	2.4
206.45476	2.6
209.11699	8.5
211.13281	87.5
227.12810	4.8
233.37144	2.3
267.15942	14.4
283.15390	100.0
285.14056	4.2
285.16962	59.9
383.22101	4.4
457.25717	3.4
475.26740	10.2
493.27954	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	527.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.3
55.01854	7.5
55.05508	48.6
57.03431	4.0
58.51222	3.3
67.05159	6.3
67.05499	83.9
69.03434	3.6
69.07066	29.3
69.48154	36.5
71.04978	4.6
72.08160	5.5
76.87051	3.8
79.05487	50.3
81.03419	10.2
81.06567	5.6
81.07050	100.0
83.04968	11.8
83.08620	25.3
85.06528	10.2
91.05476	50.5
93.07034	63.1
95.04955	9.8
95.08027	6.1
95.08601	72.9
97.06532	13.7
97.10160	19.7
99.08100	6.3
105.07026	75.1
106.75125	3.4
107.04948	4.2
107.08588	72.1
109.06527	6.5
109.10149	44.0
111.08096	4.8
117.07003	22.7
119.08563	61.6
121.10119	35.3
123.08004	6.6
123.11681	8.1
125.09616	15.3
128.06194	7.1
129.06982	19.3
129.39011	3.7
131.08560	43.2
133.10124	31.5
135.07991	4.5
135.11703	24.4
137.09618	5.3
141.07011	4.1
143.08556	26.6
144.09332	4.5
145.10110	52.3
147.11670	31.4
149.13242	12.2
155.08546	11.4
157.10095	25.9
159.11674	33.4
161.09529	5.4
161.13229	23.0
163.11115	8.9
163.14845	20.3
167.08556	5.7
169.10101	14.2
171.11678	17.8
173.11824	4.4
173.13205	12.9
175.14803	6.0
181.10190	10.5
183.11731	17.7
185.13216	15.0
187.14835	13.0
189.16367	8.0
193.12415	4.1
195.11658	7.0
197.13252	10.4
199.14830	13.8
201.16336	24.3
203.12677	5.6
203.17931	4.8
209.13229	8.2
211.14766	7.9
213.16376	10.1
215.17976	4.4
219.17448	7.0
227.17957	5.5
228.91641	3.5
239.17888	4.5
241.19492	3.9
275.20236	4.5
285.22095	4.9
289.21780	8.9
303.23120	6.6
383.24673	5.4
397.30847	7.3
411.32428	6.2
435.32495	11.1
453.33615	10.4
477.37039	8.3
482.15500	6.7
491.38904	9.4
495.37970	6.5
509.40469	8.4
527.28406	7.3
527.37372	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	1.7
55.05507	16.0
57.03424	4.0
57.07065	2.3
65.03928	1.9
67.05499	33.8
69.03424	1.0
69.07059	13.3
71.04966	1.9
71.08613	0.9
79.05045	1.5
79.05486	22.5
79.05939	1.2
81.03404	3.1
81.06569	1.5
81.07052	28.4
83.04968	2.5
83.08616	7.4
84.37704	0.7
84.74581	0.7
85.06511	1.7
89.05982	1.1
91.05476	23.5
93.07032	24.5
95.04955	4.6
95.08600	19.4
97.06528	3.5
97.10159	3.1
99.08092	0.9
103.05466	0.8
105.04548	1.0
105.07023	26.9
107.08596	14.0
109.06503	1.6
109.10154	7.7
111.08106	1.7
111.83289	0.7
115.05437	2.4
116.06219	0.9
117.07012	12.5
119.08575	19.3
119.09441	1.1
121.10117	9.3
123.08061	1.9
123.11700	2.5
125.09628	2.2
128.06207	3.2
129.07002	13.7
130.07774	1.5
131.07565	1.2
131.08565	24.7
133.10114	15.0
135.11694	5.2
141.06984	4.5
142.07784	4.2
143.08549	18.7
145.10115	18.1
147.08005	1.0
147.11668	6.9
149.09610	1.3
149.13239	2.5
153.50098	0.9
154.07793	1.6
155.08528	11.9
156.09363	2.0
157.10126	16.3
159.08051	1.1
159.11694	12.5
161.09584	0.9
161.13263	3.5
165.07024	1.1
166.07794	1.2
167.08586	4.3
168.09361	1.4
169.10120	14.7
171.11684	15.8
173.13261	7.8
175.14819	1.0
179.08487	1.5
181.10095	6.9
182.10796	1.2
183.11671	12.7
183.13155	1.1
185.13283	9.2
187.11118	1.2
187.14833	2.8
191.10547	0.9
193.10143	1.7
195.11661	4.9
197.13251	8.5
199.14859	5.3
201.16466	1.1
207.11728	2.2
209.13133	4.3
211.14885	4.2
213.16441	2.0
221.13150	1.4
223.14821	4.4
225.16370	2.7
235.14864	2.5
237.16373	2.1
239.17995	1.2
251.17958	1.4
259.20676	1.5
265.19617	0.9
269.19150	1.2
273.18344	0.9
283.20581	2.1
287.19992	0.9
295.20605	1.2
297.22086	1.2
309.22095	1.4
311.23639	1.8
315.23083	1.9
323.23737	2.2
325.21582	1.4
327.23065	1.1
337.25220	1.7
339.23331	1.2
341.24701	1.0
347.23624	0.8
363.73245	1.0
367.26270	1.3
401.26978	0.9
417.31604	6.8
435.32553	17.7
453.33633	10.3
471.34842	4.8
473.34268	1.3
483.34592	1.2
491.35260	2.5
509.36227	9.2
527.37286	100.0
528.37823	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	526.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22248	1.1
57.03435	3.8
61.66892	1.2
64.29083	1.2
69.03422	2.1
69.07065	18.6
69.94855	4.8
71.48513	1.1
79.05481	7.9
81.07047	5.2
83.04961	1.5
85.02892	7.7
91.05473	11.0
97.06527	29.8
98.20827	2.2
98.59481	1.2
103.54064	1.1
109.06519	1.7
119.04962	7.4
127.03919	3.0
137.05969	78.2
138.06319	1.4
143.08539	2.2
157.06593	1.6
159.08040	1.7
161.06027	2.4
163.03844	2.0
163.07538	1.9
169.10124	2.6
171.08015	1.5
175.07642	1.6
176.08408	1.4
177.09023	1.5
185.09604	3.6
187.07494	3.2
187.11197	3.4
189.09093	2.4
197.09613	2.5
201.09148	3.1
203.10670	1.6
205.08424	1.2
213.09084	2.8
213.21661	1.4
214.09874	2.4
215.10678	23.1
227.10738	1.9
229.08725	1.9
231.09947	1.7
232.10957	2.2
233.11708	100.0
234.12080	1.7
243.10167	1.7
255.13889	2.2
261.11197	1.4
283.16885	1.4
287.12878	7.0
293.15448	2.5
301.18176	1.6
311.16483	8.4
322.46014	1.2
329.13513	3.0
329.17453	59.2
330.17795	3.0
347.18253	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	526.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62701	1.3
55.05501	1.7
57.03420	2.6
65.39379	1.4
67.05492	1.9
69.07059	10.3
70.19381	4.3
70.19773	2.6
79.05464	6.1
81.07030	3.2
85.02886	5.8
91.05484	8.6
97.06526	56.0
114.40151	1.6
119.04914	4.1
127.03992	1.4
135.04401	1.4
137.05966	51.6
146.08449	1.3
147.89937	1.2
157.10110	1.6
159.08115	1.8
169.10104	1.4
185.09724	1.7
187.07539	2.3
189.09094	3.5
191.07001	1.6
197.09581	2.1
199.07591	1.5
201.09018	2.3
205.12321	1.5
213.09111	2.4
215.10649	15.7
229.12122	2.2
231.10081	2.0
233.11708	100.0
239.10728	1.7
267.13718	1.5
285.14719	3.7
287.12772	2.1
311.16559	7.8
320.63309	1.3
329.17438	46.9
330.17859	1.5
347.18549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
51.02389	1.9
53.03939	7.4
55.01889	9.4
55.05509	33.8
57.03439	15.7
59.04993	2.4
61.02929	15.3
61.78739	1.8
65.03951	2.9
67.05502	45.2
69.03429	26.0
69.07072	21.2
71.01356	4.2
71.04990	6.2
71.64276	2.6
73.02908	7.7
79.05495	33.2
81.03415	32.9
81.07051	35.4
83.04990	11.9
83.08607	18.5
85.02905	27.0
85.06526	2.8
91.03945	5.9
91.05479	23.3
93.07038	21.5
95.04972	17.6
95.08621	19.5
97.02898	28.4
97.06530	7.1
97.10161	21.8
99.04446	5.8
101.02391	7.2
103.03951	3.5
105.07021	21.4
107.04976	11.3
107.08595	18.8
109.02854	9.9
109.06539	3.8
109.10155	22.2
111.04436	6.4
111.08072	6.4
115.03923	2.3
115.05447	2.8
117.06984	10.3
119.08580	19.7
121.06533	7.3
121.10152	7.4
123.04408	3.3
123.08082	7.6
125.09622	19.4
127.03926	14.1
129.06987	4.6
131.08546	11.5
133.06535	2.5
133.10138	9.1
135.08026	7.2
135.11674	4.9
143.08598	4.3
145.05032	2.0
145.10121	8.4
147.08040	6.6
147.11703	3.7
149.09619	4.5
151.07578	3.3
153.09143	4.2
155.08530	3.4
157.10103	5.7
159.11691	3.9
161.09688	3.1
163.11203	5.6
165.09119	2.0
171.10240	3.0
173.09604	2.1
173.11732	4.9
175.11232	5.6
177.12695	2.2
183.06551	2.5
189.09676	2.7
189.11230	16.0
193.12265	10.7
194.82666	2.1
201.09361	2.0
205.12291	2.7
209.11792	2.9
211.13268	6.9
223.13240	17.1
227.12834	5.8
229.14365	2.3
249.14815	3.1
273.18503	19.2
283.15451	3.7
291.19534	100.0
347.22168	5.4
365.23236	25.4
393.22717	2.7
423.79526	2.0
446.32767	2.2
509.27762	2.6
527.19128	6.1
527.28467	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	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.01870	9.9
55.05509	9.9
57.03430	3.8
67.05493	13.2
69.03423	12.9
69.07064	13.4
70.06593	15.9
70.93427	4.9
71.04980	15.6
79.05503	21.9
81.07053	35.2
83.04974	4.4
85.02919	7.7
85.06537	10.1
86.09723	3.2
87.04459	14.6
91.05482	16.1
93.07044	78.9
95.04955	10.1
95.08607	11.4
97.02870	6.6
97.06532	19.0
99.04436	15.0
100.11241	7.9
105.07030	49.0
107.08595	77.5
109.02836	2.8
109.06522	34.0
109.10143	7.1
111.08082	13.5
113.06019	4.2
115.03965	3.8
117.07026	6.2
119.08573	20.4
121.06505	33.8
121.10147	61.9
122.10345	3.0
123.08047	9.5
127.07594	5.3
129.05479	11.8
130.07777	3.3
131.08582	5.2
132.57944	3.1
133.04950	12.3
134.50378	2.6
135.08031	18.0
135.11664	24.3
137.05954	3.4
137.09662	3.5
139.07596	3.2
139.11168	7.9
145.10115	48.1
147.11674	8.4
149.09608	44.7
151.07536	8.7
157.04961	59.7
163.11183	100.0
167.10670	67.5
169.08604	12.5
173.09601	10.5
175.06033	94.3
175.07333	2.6
177.05356	2.8
181.12236	22.7
183.06471	3.5
185.11752	32.1
191.10667	70.5
209.11697	31.4
213.07550	6.9
227.12785	76.7
233.11684	4.5
239.03017	2.8
281.13770	12.9
283.11771	15.1
295.15405	10.2
299.14850	44.3
305.13907	13.4
313.16412	6.6
317.16031	6.7
323.14847	45.7
341.15945	69.2
455.19104	6.7
502.88510	4.0
502.96854	3.1
526.43359	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01873	10.0
55.05509	25.4
57.03435	14.0
57.07077	1.9
59.04992	1.7
61.02924	13.9
65.03940	1.5
67.05159	2.3
67.05500	37.7
69.03424	24.0
69.07059	26.9
70.04546	9.0
71.01339	3.6
71.04977	4.9
73.02912	8.7
79.05486	31.9
81.03414	28.0
81.07050	29.8
83.04974	10.9
83.08607	13.2
85.02903	30.9
87.04472	2.0
91.03948	8.0
91.05478	20.7
93.07039	22.3
95.04974	14.4
95.08604	14.5
97.02890	27.8
97.06521	19.2
97.10172	18.5
98.06868	2.6
98.20811	2.8
99.01456	1.4
99.04453	5.5
101.02378	6.0
103.03912	4.0
105.07017	13.8
105.62478	1.6
107.04951	9.5
107.08587	16.9
107.92056	1.5
109.02872	9.0
109.06501	6.6
109.10165	13.5
111.04433	3.5
111.08072	6.8
115.05454	1.9
117.06995	8.6
119.08592	15.3
121.06487	6.7
121.10149	7.3
123.04387	3.7
123.08050	12.8
125.09616	15.6
127.03915	12.0
129.05455	3.8
129.06996	6.5
131.08563	9.7
133.06459	3.0
133.10121	7.4
135.08015	5.2
135.11670	4.9
137.05962	2.7
137.09546	4.6
143.08492	2.2
145.04970	3.5
145.06514	2.4
145.10115	8.3
147.08031	6.8
147.11667	5.1
149.09581	5.2
149.13249	3.2
151.07532	3.4
151.11136	2.5
153.09071	2.7
153.12611	1.9
157.10081	4.5
159.07924	3.7
159.11629	4.9
161.09579	3.6
163.03963	2.1
163.11195	3.5
165.09096	3.4
169.10027	2.2
171.08081	2.3
171.11688	3.2
173.04440	3.1
173.09665	1.9
173.11716	2.3
175.11203	6.2
181.12230	2.3
183.06662	1.5
185.13261	2.6
187.11107	1.7
189.09415	2.0
189.11253	14.9
193.12212	8.5
199.11237	2.0
199.13194	1.5
202.40594	1.7
205.12227	3.2
211.11537	1.8
211.13214	9.2
215.10587	2.9
223.13298	19.1
227.12799	5.9
233.11705	2.0
234.12074	5.1
235.13179	3.1
249.14804	3.5
255.17349	2.4
263.19971	2.3
267.15982	2.4
273.18491	20.9
291.19504	100.0
298.90515	1.6
315.19135	2.4
329.17395	5.8
330.17801	19.0
347.22034	6.8
348.19031	1.7
365.23230	29.5
393.22803	3.2
395.14532	7.1
407.23993	3.3
417.22861	2.1
429.21317	2.2
435.23642	2.2
481.17966	2.6
491.26569	2.9
509.18112	2.0
509.27298	5.8
527.11584	3.0
527.18695	30.2
527.28308	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	526.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86523	0.6
58.32666	0.7
58.36475	0.6
67.05518	0.6
69.07060	0.7
69.64490	4.2
69.64893	1.0
70.06608	0.7
79.05479	3.5
81.53124	0.5
91.05468	4.3
93.06989	0.7
95.04926	1.1
103.05476	4.1
104.06269	0.8
105.07030	20.8
107.04956	2.0
108.05667	1.0
109.06521	1.3
111.04453	0.6
113.96809	0.6
115.05460	0.8
117.07031	0.8
118.04147	4.4
119.04965	1.7
120.05725	1.1
121.06499	2.4
122.07269	1.3
123.08038	0.9
124.05186	1.0
131.04884	1.5
132.01123	1.2
132.05682	1.3
133.06485	17.5
134.07314	0.7
135.04413	1.2
135.08025	3.6
137.04221	1.5
137.05971	5.7
146.02678	1.0
146.03712	0.8
147.04463	0.8
148.05186	1.1
149.05998	2.9
150.01361	1.1
150.06749	10.2
151.07512	2.8
161.05968	1.7
165.03700	2.5
165.09116	13.5
167.07039	4.8
175.07565	0.7
177.05569	0.8
178.06187	1.1
179.07047	1.1
184.70990	0.6
193.03265	3.0
193.08600	100.0
194.09247	2.7
210.11214	1.6
211.09656	50.8
225.05765	0.8
231.74998	0.6
233.11845	0.8
282.21490	0.8
314.10663	5.9
367.88400	0.6
376.20587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2437
Annotation	Mer-WF-1726
Peak:m/z	Relative Intensity
57.65751	0.5
58.06575	1.8
65.03932	0.6
67.05484	0.5
69.03414	0.7
70.06563	1.4
70.10157	2.0
81.03421	0.6
81.07046	0.5
85.02890	1.3
86.06045	1.1
87.04505	2.0
91.05471	3.2
93.07009	0.7
94.04171	0.5
95.04959	0.5
97.02888	2.0
104.07094	3.1
115.05466	2.8
117.07059	0.4
119.04919	3.1
121.06538	0.7
122.03631	1.2
125.06020	0.6
127.03899	0.9
131.04860	0.6
132.08032	0.4
133.02826	1.0
136.05167	0.4
136.06221	0.7
137.05974	15.1
138.06366	0.5
143.03906	0.7
143.04921	7.9
147.04399	2.6
148.07539	0.5
149.08331	1.7
151.07544	3.3
153.07013	0.6
160.05202	0.9
160.07567	1.1
161.05956	1.4
162.06726	0.5
163.07538	0.8
167.08571	0.8
175.07535	5.4
176.07198	0.6
177.07860	20.2
178.05807	0.4
178.08519	0.4
179.08508	0.7
181.06412	0.5
185.08113	0.5
190.08572	0.5
191.09215	0.4
192.10182	100.0
193.10516	1.4
195.08057	1.5
197.06027	0.6
205.06439	0.9
207.07971	1.2
209.09789	0.4
211.07451	0.7
217.21671	0.4
223.07466	1.0
225.09184	1.2
233.06023	0.4
235.07596	0.8
237.09143	1.2
239.07356	0.5
239.10591	1.1
241.08557	4.5
243.10129	1.3
250.06117	0.4
253.08688	0.8
253.58627	0.5
265.08499	2.4
267.10065	0.9
277.08655	0.4
285.11185	1.2
286.12170	0.6
297.11182	1.3
299.12769	1.3
323.12927	0.6
328.15536	1.4
329.16312	1.3
341.16104	1.1
355.35754	0.5
368.81598	0.4
370.16422	0.7
388.17566	10.0
478.22220	2.0
501.74463	0.5
508.22873	2.7
526.24371	31.4
527.24774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01875	8.5
55.05505	6.6
63.49827	2.9
67.05505	11.4
68.99215	2.4
69.03429	14.7
69.07055	9.8
69.51118	4.9
69.51529	21.1
70.06580	12.2
70.48530	2.8
71.04990	13.0
79.05500	17.1
81.07048	35.8
83.04986	3.7
85.06544	8.3
87.04472	13.7
91.05441	12.6
93.07036	73.0
95.04970	8.3
95.08590	8.5
97.02885	6.0
97.06528	15.7
99.04438	11.4
99.26749	2.4
105.07012	36.6
107.04945	4.8
107.08592	72.9
109.06515	29.0
111.08089	8.5
113.05992	6.9
115.03912	4.7
117.06999	5.5
119.08582	14.5
121.06494	28.6
121.10135	58.0
123.08051	8.9
124.76633	2.8
126.19206	3.2
127.07527	3.1
129.05476	10.6
129.06958	2.7
131.08554	5.2
133.04958	10.9
135.08069	13.6
135.11662	20.9
137.05959	4.0
139.11185	5.8
143.03363	2.9
145.10114	44.7
147.06444	4.4
147.11703	7.1
149.09613	34.6
151.07555	5.2
157.04948	53.0
161.62892	2.5
163.11177	100.0
167.10669	67.3
169.04956	4.1
169.08592	14.6
173.09630	10.5
175.06006	76.4
181.12248	23.0
183.06607	3.3
185.11717	27.3
191.10666	64.4
191.12309	4.4
209.11681	34.7
213.07564	7.6
216.60037	2.7
227.12752	63.7
227.14908	4.2
239.45866	2.5
255.12207	3.8
268.10638	3.3
281.13885	7.8
283.11713	12.1
295.15399	11.4
299.14844	33.3
305.13818	15.4
313.16388	6.3
317.15872	4.3
323.14807	37.4
341.15939	64.6
388.94012	2.8
455.18939	3.0
473.20364	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	525.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01872	2.7
55.05514	14.7
57.03428	3.8
57.07068	2.3
57.23428	1.5
65.03911	2.0
67.05166	1.7
67.05502	25.0
69.07069	11.5
69.73557	3.2
69.73969	7.9
71.05000	2.4
74.91388	1.4
75.86959	1.5
79.05487	22.0
81.03400	2.3
81.07053	24.1
83.04964	4.6
83.08620	7.0
85.06549	1.7
85.88390	1.2
90.08007	1.3
91.05480	26.6
93.07042	18.1
95.03202	1.4
95.04964	6.6
95.08596	15.4
97.06563	4.8
97.10203	1.6
105.07020	20.0
107.04964	3.3
107.08587	8.5
109.06493	1.5
109.10152	5.2
111.08120	1.9
115.05429	1.7
117.07012	10.8
119.08575	15.0
121.06545	1.8
121.10166	4.7
123.11736	1.8
125.09544	1.5
128.06206	3.9
129.06993	11.4
131.08557	20.2
133.10132	11.7
135.11652	3.1
137.09642	2.7
141.07007	10.0
142.07819	4.3
143.08569	16.7
145.10120	14.6
147.11702	4.7
153.06953	2.8
154.07787	2.1
155.08582	16.6
156.09401	2.6
157.10109	13.1
159.08081	1.7
159.11688	11.2
161.13234	2.5
165.07027	4.7
167.03365	2.0
167.08554	8.0
168.09392	2.3
169.10130	18.9
171.11702	14.1
173.13304	6.9
175.11166	2.7
177.12660	1.6
179.08617	4.5
180.09242	1.9
181.10069	15.2
182.10895	2.6
183.11690	17.1
185.13203	7.3
186.64702	1.6
187.14830	2.1
193.10178	6.6
195.11688	12.6
197.13326	11.9
199.14775	7.1
201.16481	2.3
205.10236	2.6
207.11729	5.2
208.12383	1.7
209.13249	9.5
211.14809	6.4
213.16396	2.5
219.11644	2.4
221.13303	4.0
223.14856	7.2
225.16342	4.7
227.14384	2.7
233.13310	2.2
237.16484	3.7
239.18024	2.5
241.19669	2.4
242.40825	1.5
249.16487	2.2
251.18002	1.8
263.17953	3.6
313.21732	1.9
317.22781	1.8
321.22134	3.2
323.23929	1.8
335.23770	3.5
339.23492	2.0
351.23047	2.9
353.24695	2.3
365.24802	1.8
366.72211	1.4
405.31851	1.7
415.30081	6.7
433.30991	24.5
446.60422	1.5
451.32224	11.5
469.33224	3.3
471.32480	1.7
489.33505	2.6
507.34808	12.2
525.35773	100.0
526.36194	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	525.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78464	4.4
55.05495	15.0
65.03913	5.2
66.11970	4.1
67.05514	21.5
67.81812	4.5
69.07053	17.6
70.24330	23.2
71.07543	4.4
79.05481	34.5
81.07058	44.2
83.08641	5.5
85.06526	10.4
91.05464	41.8
93.07036	53.7
95.04951	13.9
95.08612	53.7
97.06509	6.9
98.21394	7.3
105.07021	94.5
107.08599	57.3
109.06530	4.6
109.10135	18.9
115.05453	5.3
117.07032	26.7
117.07762	4.2
117.20341	4.1
119.08578	56.4
121.10138	20.4
123.08076	9.0
127.69212	4.9
128.06250	14.2
129.07002	22.4
130.07764	5.1
131.08568	60.9
133.06499	6.9
133.10126	35.1
135.11674	16.7
139.11107	5.6
141.07024	8.5
142.07774	16.4
143.08557	64.7
145.06442	8.5
145.10127	81.6
147.08067	5.3
147.11664	16.5
148.59602	4.3
153.07004	6.3
155.08543	27.5
156.09296	9.5
157.10133	58.3
159.08058	10.1
159.11694	64.6
161.13228	21.0
163.11108	22.6
163.90744	4.5
165.07036	6.1
167.08583	8.1
168.09399	10.5
169.10126	27.7
171.08061	7.7
171.11740	24.1
173.05984	7.1
173.09592	9.8
173.13277	21.9
175.11197	14.0
179.08586	8.2
181.10138	13.7
183.11696	49.0
185.13254	18.8
187.07579	10.5
187.11156	40.0
187.14841	7.4
189.09143	5.9
195.11728	21.1
197.13268	13.8
199.11082	5.6
199.14778	29.9
201.12762	24.5
201.16386	64.8
204.85408	5.2
205.12187	6.0
207.11679	10.7
209.13213	10.8
211.11185	9.8
211.14879	6.0
213.12758	5.9
213.16428	10.1
215.10686	6.0
217.15910	8.8
219.11633	4.9
219.13803	6.7
219.17444	25.4
223.14839	8.5
225.16452	6.3
229.12267	100.0
231.13803	9.1
235.14885	5.0
243.17659	4.8
247.13181	26.4
257.13019	4.6
265.14459	9.0
383.27396	6.4
401.28299	10.9
407.25970	7.1
415.29953	6.8
419.29541	11.2
429.27948	26.2
433.31070	9.6
447.29068	36.0
465.29898	12.0
507.33218	4.3
525.36499	48.0
526.36115	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	525.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.5
57.07076	8.4
65.03920	5.5
67.05492	29.9
69.07061	23.6
69.99808	10.9
70.00215	17.1
72.77998	4.8
79.05498	34.9
81.03465	5.6
81.07050	76.4
83.04961	6.0
83.08611	11.5
85.06549	15.5
91.05482	53.3
93.07040	68.2
95.04944	13.2
95.08604	48.3
97.06563	8.1
98.21471	5.5
105.07024	100.0
107.08587	44.3
109.10159	19.6
115.05435	12.7
117.07035	29.1
119.08568	73.9
121.06483	5.9
121.10135	49.0
123.11734	11.7
128.03151	4.5
128.06213	17.9
129.07005	34.4
131.08563	64.0
133.10129	57.4
135.11719	30.2
141.06995	12.0
142.07770	44.6
143.08542	59.9
144.09346	5.7
145.10104	54.3
147.07961	5.8
147.11674	16.7
149.13290	9.1
155.08557	39.7
156.09349	13.1
157.10129	86.8
158.10808	7.3
159.08087	7.1
159.11670	79.6
161.09572	6.6
161.13281	15.5
163.11169	5.8
165.06990	7.8
166.03046	4.6
167.08600	8.3
168.09383	10.4
169.10083	44.3
169.11110	4.5
171.08014	6.0
171.11699	32.2
173.09575	11.1
173.13293	17.2
174.09091	4.9
175.11136	46.3
177.12747	15.8
179.08545	12.9
181.10175	18.3
182.10849	6.9
183.11673	32.8
185.13269	23.2
187.11209	12.9
187.14832	11.2
189.12718	4.6
192.09363	5.3
193.10133	15.1
194.10876	6.7
195.11684	29.3
197.09602	5.1
197.13203	23.1
199.14818	19.7
201.12686	9.3
201.16306	9.8
203.10654	5.3
205.10211	10.9
207.11682	18.3
209.13292	16.7
211.11229	8.9
211.14783	7.1
213.16438	10.9
217.15855	10.3
219.09895	6.2
219.11803	7.7
221.13332	13.7
223.14845	18.6
225.16309	28.8
227.10716	5.6
227.17937	8.6
229.12173	9.7
231.00952	4.8
231.11714	10.6
231.13716	33.4
233.13318	15.8
235.14900	15.3
237.16278	8.7
239.14270	5.8
243.17184	7.4
247.14980	8.7
249.14622	10.1
251.14360	6.4
251.17984	9.2
253.15927	11.0
255.17494	6.0
257.13065	6.2
261.16452	8.8
263.17908	10.3
265.16089	9.3
265.19275	6.9
267.17545	7.0
271.16980	23.8
273.16113	6.0
275.17950	12.7
279.17194	4.8
283.17096	6.0
287.17593	5.1
289.19293	8.5
301.19382	5.6
311.16696	5.6
317.22501	6.5
329.22617	7.2
331.20792	9.5
333.22174	7.6
343.23944	5.5
351.32297	5.5
383.27075	7.6
385.28842	7.0
401.28467	26.9
401.72171	4.9
411.11414	4.5
412.04462	5.9
419.29630	15.7
429.27835	11.4
447.28760	28.8
465.30066	10.6
507.30151	7.1
525.35254	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	525.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01862	5.7
55.05508	26.0
55.07580	4.1
57.03426	8.9
65.03927	5.1
67.05504	46.4
69.03429	4.6
69.07059	16.0
70.15393	20.0
71.05010	5.5
71.59464	3.9
79.05495	45.8
81.03406	8.5
81.07060	69.6
83.04990	8.0
83.08612	11.9
85.06537	8.8
91.05479	56.6
91.26658	4.1
93.07037	64.3
95.04968	85.9
95.08598	50.1
97.06523	13.2
97.10168	6.8
103.05527	4.4
105.06387	3.4
105.07024	100.0
107.04945	7.5
107.08595	58.7
109.02869	4.1
109.06520	71.0
109.10124	27.3
111.08077	8.6
111.11668	3.7
115.05481	5.7
115.63950	4.3
117.06983	29.5
119.08586	74.3
121.06479	11.3
121.10138	35.2
123.08044	37.2
123.10021	3.9
123.11750	9.1
123.99605	4.0
125.09630	7.2
128.06226	9.1
129.06993	26.5
131.08556	48.5
133.06476	5.7
133.10123	39.2
135.08029	21.0
135.11691	19.1
137.09619	8.7
141.06993	15.2
141.08081	5.2
142.07767	20.4
143.08568	42.1
145.06496	10.5
145.10107	52.6
147.08022	12.8
147.11673	32.6
149.09589	16.0
149.13246	7.5
155.08580	21.1
156.09296	7.6
157.10120	72.6
159.08099	15.6
159.11678	69.5
161.09642	21.7
161.13263	13.2
163.07695	5.2
163.11145	21.1
167.08571	9.4
168.09319	10.4
169.10109	32.8
171.11684	40.8
173.09636	12.7
173.13268	17.7
175.07503	5.9
175.11174	61.3
175.14748	5.2
177.09128	4.4
177.12752	8.6
181.10123	18.7
183.11684	30.4
185.09654	9.8
185.13248	17.2
187.11205	16.4
187.14828	13.8
189.12740	12.4
195.11714	14.3
197.13275	18.6
199.11185	5.6
199.14816	18.0
201.12720	10.0
201.16368	6.9
203.14441	6.3
205.11981	4.6
207.11624	9.2
209.13260	13.1
211.11253	5.4
211.14833	10.7
213.12851	6.2
213.16379	16.5
215.10864	4.9
215.14297	15.5
217.15883	17.2
219.11642	4.8
221.13301	8.1
223.14847	10.3
225.12793	5.2
225.16473	9.0
229.12152	10.1
229.15916	16.6
231.17430	5.2
235.14796	5.3
237.16382	7.8
239.14230	4.5
243.17403	7.0
249.16431	4.6
263.17966	6.4
271.16949	4.4
273.16321	5.4
283.15366	27.1
401.28360	7.0
407.25513	12.9
419.29483	24.6
421.30701	5.7
429.27884	13.3
433.31122	9.6
447.28986	44.9
451.32077	6.8
465.30151	60.0
491.26556	8.3
525.32269	75.2
544.12006	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	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	2.8
60.89088	3.3
65.56531	3.4
70.06583	14.4
71.63685	5.7
72.08137	7.7
79.05487	13.8
81.07056	7.2
84.08138	5.5
86.09698	6.4
86.12743	3.3
91.05470	8.7
95.04971	5.8
95.08638	3.4
105.06965	4.0
107.04974	29.4
123.04443	3.1
124.05202	4.7
125.06006	5.9
131.08563	10.6
137.05978	6.3
147.04369	5.5
151.64804	3.7
159.08093	10.2
167.07030	100.0
167.08438	5.9
169.13411	5.4
175.07570	4.1
180.30991	3.5
181.08600	6.9
185.06055	3.8
187.07573	14.7
197.12794	4.0
204.07820	4.1
208.08846	3.9
211.72156	3.4
218.07333	4.5
219.10150	7.0
221.06010	4.8
224.08287	16.1
225.09123	4.6
231.10049	7.9
233.09657	6.6
239.10641	4.6
248.08321	3.9
251.10657	4.0
252.07823	5.0
263.07098	7.2
264.07770	7.6
265.12152	4.0
267.07001	5.4
267.10168	92.0
269.08026	4.3
277.08542	5.5
278.09421	5.3
279.10129	12.9
281.08145	15.6
281.11621	3.2
282.08832	21.0
293.11624	5.0
296.10345	13.3
297.11136	39.4
310.08411	3.8
311.12839	18.4
315.08624	3.8
321.11282	4.4
328.09555	6.3
330.11240	8.5
343.11835	40.9
353.13806	8.9
385.16458	69.3
427.14871	3.5
443.63629	3.9
445.16577	8.6
524.21191	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	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.08698	0.3
55.05512	0.7
56.05042	1.5
57.03441	0.5
57.07073	3.7
58.06331	0.3
58.06598	1.1
59.07378	0.3
60.08158	17.3
67.05500	0.9
67.18980	0.3
69.07050	0.7
70.89774	0.6
70.90112	0.3
71.07372	7.0
71.08620	2.6
79.05481	0.7
80.54551	0.3
81.03421	0.7
81.07046	1.4
82.03732	0.3
83.08603	0.8
85.10167	1.3
86.09700	52.1
92.05811	0.3
95.04942	0.5
95.08591	1.7
97.10168	0.5
98.98463	3.9
104.10737	96.1
105.11032	0.5
107.08591	0.5
109.10147	0.9
119.08582	0.4
123.11708	0.4
124.99995	28.7
127.14713	0.3
143.01045	0.5
159.11685	0.3
163.01559	0.8
166.02788	0.3
166.39594	0.3
184.07327	100.0
193.12207	0.4
194.12512	0.5
212.13629	0.5
218.87689	0.4
258.10989	1.2
267.15668	0.4
298.50238	0.3
300.04593	0.3
340.85477	0.3
341.30368	1.6
447.28339	0.7
506.35992	9.8
524.37012	27.8
525.37640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74712	0.8
52.25838	1.0
53.03929	3.3
55.01867	1.4
55.05256	1.3
55.05506	19.6
57.03434	8.3
57.07072	49.5
58.18347	0.8
64.46359	0.8
65.03941	1.8
67.05499	36.0
67.38017	0.8
69.03432	2.2
69.07062	13.6
71.04976	4.3
71.08627	39.3
74.09756	1.1
79.05488	19.8
81.03412	49.2
81.07049	42.5
83.04979	11.2
83.08614	32.4
85.02899	27.3
85.06544	1.9
85.10176	19.5
91.05474	27.2
93.07039	13.0
93.47446	0.9
95.04961	20.6
95.05541	1.3
95.08595	40.4
97.02883	3.1
97.06532	2.4
97.10151	10.7
98.21526	1.7
99.08064	1.3
99.11758	1.1
105.07029	16.5
107.04949	3.9
107.08594	5.6
109.06513	3.3
109.10151	16.2
111.04421	1.9
111.08055	8.1
113.06001	3.2
114.26022	1.0
115.05439	1.4
116.06298	0.9
117.07021	1.6
119.08589	14.6
121.10133	8.3
123.08033	1.7
123.11704	7.2
123.39293	0.8
125.09596	2.0
129.07008	8.4
131.08574	9.1
133.06470	1.9
133.10146	8.1
135.11626	1.0
137.09663	2.2
137.13263	2.4
142.07800	2.1
145.95563	0.8
147.08040	2.1
147.11673	11.3
149.09628	3.7
151.14891	1.1
157.10123	9.2
163.11092	1.2
165.12804	2.9
175.11179	12.4
193.12225	49.8
211.13283	50.9
221.22679	1.2
229.53862	1.0
239.23685	6.8
249.14789	1.1
267.15906	6.7
280.48804	0.9
281.40158	1.3
285.17142	1.3
313.27307	5.8
435.86533	1.1
505.38605	1.6
523.39929	100.0
524.40277	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	524.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65466	0.2
69.38243	2.2
69.55250	0.2
79.24419	0.2
85.11249	0.2
107.08569	0.2
110.49923	0.2
117.98369	0.2
133.28275	0.2
137.05988	0.9
137.09547	0.2
155.88614	0.2
156.45856	0.2
160.87140	0.2
163.92172	0.3
165.07028	0.4
167.07022	1.5
171.08025	0.3
177.07025	0.4
178.07715	1.5
178.81117	0.2
179.08539	0.6
181.06470	0.7
185.05983	0.6
189.07024	0.4
192.05721	0.5
194.07210	1.5
195.08055	1.1
196.08841	1.9
197.70026	0.2
205.06453	0.3
206.07240	1.4
207.08116	1.4
207.09807	0.2
208.08878	1.1
209.06021	1.2
209.09610	1.0
211.07678	0.3
218.07239	0.5
219.08086	0.4
220.05232	0.8
221.06061	0.2
221.09602	2.8
223.07559	0.7
224.08328	16.5
225.08890	0.4
234.06821	1.2
235.07500	3.0
236.08380	0.3
237.09084	0.8
238.09882	1.0
239.10727	1.6
249.09117	3.7
250.09769	0.5
251.07077	0.6
251.10612	0.8
252.07817	5.0
253.08385	0.5
264.08209	0.2
265.08600	1.0
266.09375	1.3
267.10153	100.0
268.10449	2.3
277.08456	0.3
278.09415	0.3
279.10101	0.7
280.10968	1.4
281.08362	0.5
281.11722	4.5
291.10278	0.4
294.08722	0.3
296.10492	0.7
304.10989	0.3
308.12790	0.8
309.10916	0.4
311.12869	0.5
320.10501	0.3
335.12827	0.4
338.13705	0.5
349.79779	0.2
352.11060	0.2
395.12851	0.6
415.15274	0.5
426.38791	0.2
427.15268	0.9
445.16339	2.2
446.16568	0.3
507.19955	0.5
524.22412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44299	0.2
70.06570	0.2
70.37769	0.9
81.59566	0.2
85.02898	0.4
107.04931	0.3
120.08198	0.2
149.05959	0.2
153.07022	0.3
161.09537	0.3
163.04007	0.2
165.07025	0.6
166.07758	0.3
167.07030	1.7
171.08046	0.3
178.07700	1.3
179.08591	0.4
181.06497	0.9
185.05946	0.6
189.07007	0.2
192.05650	0.5
194.07234	1.3
195.08028	0.6
196.08823	1.5
205.06343	0.4
206.07272	1.1
207.08084	1.1
208.08839	1.1
209.05916	0.7
209.09535	1.0
211.07428	0.2
218.07173	0.2
220.05214	0.8
221.09563	2.3
223.07486	0.6
224.08302	16.2
225.08806	0.3
234.06670	0.8
235.07520	3.1
236.08298	0.3
237.09210	0.4
238.09932	0.7
239.10643	1.9
239.45523	0.3
249.09103	2.9
251.10574	1.1
252.07809	4.2
264.07733	0.2
266.09293	0.7
267.10141	100.0
268.10538	2.4
269.11774	0.3
277.08560	0.3
279.10059	0.3
281.11713	3.7
291.10071	0.5
298.14374	0.4
308.12909	0.3
335.10788	0.2
338.13794	0.4
349.12286	0.3
369.11224	0.3
380.82156	0.2
395.12671	0.4
415.15411	0.6
427.15451	0.8
445.16418	3.1
524.22235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
54.55625	0.7
55.01872	2.5
55.05507	19.0
57.03437	9.7
57.07073	48.5
58.07040	0.7
65.03930	1.8
66.60033	0.7
67.05503	37.0
69.03416	2.4
69.07065	14.3
70.00108	0.7
70.68589	2.3
70.82424	0.6
71.05002	4.7
71.08629	30.7
72.45808	0.8
79.05492	18.6
81.03416	44.8
81.07057	39.3
83.04978	9.4
83.08613	29.4
85.02420	1.5
85.02905	22.3
85.06519	2.0
85.10179	17.2
91.04902	0.7
91.05478	22.5
93.07042	15.0
95.04970	20.4
95.08605	34.3
97.02869	2.0
97.06549	2.1
97.10175	8.4
99.08106	1.0
99.11690	0.9
105.07023	20.0
107.04951	4.2
107.08585	7.1
109.06522	3.2
109.10155	14.3
111.04424	1.7
111.08077	8.4
111.11693	1.5
113.06007	2.0
115.05460	1.5
117.07020	1.3
119.08580	16.8
119.09383	0.6
120.08926	0.7
121.06505	1.0
121.10143	9.9
123.08066	1.1
123.11675	8.1
124.61919	0.7
125.09617	1.1
128.06189	1.4
129.07018	8.7
131.08586	9.5
133.06522	1.5
133.10132	7.9
137.09683	1.2
137.13271	2.9
142.07793	3.0
142.40511	0.7
145.10158	2.0
147.08044	2.2
147.11687	13.1
149.09615	8.2
157.10141	11.7
165.12735	2.0
175.11183	13.2
193.12236	50.0
199.14813	1.6
211.13283	49.7
217.15807	1.2
239.23715	7.1
249.14725	0.8
252.69519	0.9
266.32712	0.8
267.15903	14.0
285.16946	0.9
313.27368	18.9
384.36963	0.8
478.27124	0.8
505.38745	4.8
523.39923	100.0
524.40106	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
53.10709	1.5
55.01849	2.3
55.05299	1.4
55.05513	14.6
56.24765	1.6
57.03436	8.6
57.07072	37.2
59.86546	1.3
61.26352	1.4
66.13850	1.3
67.05171	1.9
67.05502	26.7
69.03426	3.0
69.07070	13.0
69.32231	18.1
71.04969	2.6
71.08629	28.1
79.05487	12.5
81.02915	1.7
81.03410	35.7
81.07053	35.3
83.04961	8.0
83.08614	28.2
85.02904	18.9
85.06548	1.8
85.10186	15.7
91.05470	23.2
93.07051	13.4
95.04958	17.6
95.08607	34.0
97.02900	2.9
97.06527	2.6
97.10160	6.3
98.24181	1.4
105.07014	12.0
107.04964	2.7
107.08614	4.2
109.06539	2.3
109.10127	13.5
111.04428	1.8
111.08091	6.7
113.06057	2.2
115.05446	1.7
119.08564	13.0
121.10145	6.0
123.08087	1.9
123.11698	6.2
125.13314	1.7
129.07005	5.2
131.08574	8.3
133.10120	5.7
135.11771	1.7
137.09547	1.6
142.07861	1.6
144.40669	1.5
147.08113	2.7
147.11673	9.6
149.09598	4.5
149.41866	1.3
157.10138	7.7
162.16588	1.4
162.84801	1.3
163.11130	1.8
175.11169	11.2
193.12234	48.4
211.13293	49.2
211.15260	2.9
239.23767	8.7
266.37164	2.1
267.15918	7.4
313.27402	6.0
313.50211	1.5
318.56467	1.6
523.39941	100.0
524.40143	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98128	0.6
53.03938	2.2
55.01856	2.7
55.05508	15.6
57.03437	7.5
57.07075	49.0
58.07399	0.8
65.03933	2.0
67.05505	31.4
69.03413	2.7
69.07064	13.8
69.56796	5.8
71.04994	3.8
71.08632	31.0
71.08966	0.4
75.91750	0.6
79.05489	18.5
79.07121	0.6
81.03417	44.5
81.07057	40.4
83.04983	7.8
83.08619	28.3
85.02905	21.7
85.06540	2.0
85.10181	18.4
91.05482	21.8
92.01028	0.6
93.07045	11.5
95.04972	16.5
95.08607	36.4
96.08952	0.7
97.02875	1.7
97.06518	3.6
97.10160	7.0
98.20748	1.3
99.08076	1.8
105.04514	0.8
105.06373	1.2
105.07030	14.5
107.04970	3.8
107.08590	6.2
109.06518	2.8
109.10153	14.6
111.04438	2.4
111.08086	9.0
111.11744	1.5
113.06004	1.5
113.13308	0.7
115.05441	1.1
117.07007	1.3
119.08578	15.6
121.06490	1.2
121.10130	8.0
123.08080	2.2
123.11713	6.4
125.09610	0.8
125.13248	0.9
129.07014	7.8
131.08563	8.2
133.06480	2.8
133.10132	7.1
135.52492	0.6
137.09641	0.8
137.13242	2.4
142.07814	1.8
145.10133	1.2
147.08055	1.7
147.11678	11.9
149.09634	5.2
151.14806	1.3
157.10110	10.0
165.12764	2.2
171.20801	0.6
175.11189	12.3
193.12241	51.0
211.13293	48.0
221.22609	1.2
239.23740	6.6
249.14874	1.4
267.15915	6.9
278.35489	0.6
285.16849	1.0
313.27374	9.1
318.31665	0.6
337.28711	0.7
341.56372	0.6
348.92496	0.6
380.60950	0.9
382.34128	0.6
383.64832	0.7
505.38904	3.6
523.39966	100.0
524.40338	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01862	1.6
55.05509	13.2
57.03436	6.6
57.07075	41.3
65.03909	1.2
67.05177	1.8
67.05505	24.4
69.03419	1.8
69.07067	11.1
70.59058	2.9
71.04990	3.7
71.08632	28.0
79.05489	15.1
81.03416	38.8
81.07052	34.1
83.04980	6.7
83.08613	23.7
85.02901	18.9
85.06567	1.7
85.10175	13.4
86.57496	1.0
89.21807	0.9
91.05487	15.7
93.07037	9.8
95.04961	16.0
95.08602	27.6
95.18654	1.3
97.02889	1.8
97.06540	1.9
97.10165	8.2
103.05558	1.1
105.07027	13.2
107.04976	2.6
107.08594	5.2
109.06527	3.3
109.10149	11.9
111.08079	7.0
111.11710	1.0
113.06008	2.4
117.07041	1.3
119.08582	11.3
121.10139	6.2
123.11694	6.6
125.09631	1.1
129.06967	6.8
131.08548	7.5
133.06541	1.3
133.10135	3.7
137.13257	1.6
142.07813	1.3
147.08041	2.7
147.11690	7.9
149.09624	4.1
151.14873	1.2
157.10144	6.6
165.12709	1.6
165.16667	1.0
175.11192	9.8
193.10484	1.3
193.10898	0.9
193.12241	41.8
211.13286	47.5
227.12788	1.1
239.23677	5.9
264.48260	1.0
267.15964	5.9
313.27310	4.5
400.07635	1.0
430.73462	1.0
505.39084	2.9
523.24799	8.4
523.39917	100.0
524.25049	1.6
524.40344	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.5
57.03426	7.3
57.07073	41.3
59.00730	2.9
65.03926	3.0
67.05501	32.0
69.03424	3.4
69.07077	12.7
69.33012	27.0
71.04992	5.6
71.08627	32.9
79.05486	21.7
81.02970	4.5
81.03410	50.5
81.07053	35.6
83.04974	9.3
83.08611	28.5
85.02887	21.2
85.06534	3.3
85.10181	14.1
89.96301	2.4
91.05466	23.3
91.61869	2.5
93.07027	10.9
95.04961	17.3
95.08598	35.2
97.02858	2.8
97.10160	7.9
102.99498	2.2
105.07024	15.0
107.04930	3.3
107.08583	6.8
109.06486	3.1
109.10156	13.1
111.08086	9.6
113.05982	3.2
119.08597	11.9
121.10123	5.6
123.11698	7.6
129.07008	8.7
131.08585	6.3
133.10104	6.6
137.13226	2.9
138.79106	2.5
142.07748	3.1
147.08047	3.5
147.11702	8.8
149.09613	5.1
157.10110	7.0
160.88861	2.7
175.11137	13.3
178.52164	2.8
190.28752	2.6
193.12231	54.2
208.34421	2.3
211.13272	51.9
239.23727	8.7
267.15897	7.9
285.95978	2.9
298.09210	2.5
313.27359	11.9
448.83344	2.6
505.38770	3.6
523.39868	100.0
524.39557	2.6
547.47656	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66513	3.8
52.85802	3.5
53.03938	6.8
55.05509	20.6
57.03434	15.1
57.07071	65.6
67.05515	30.7
69.07060	17.9
71.08629	50.3
71.64848	5.2
79.05498	18.5
81.03415	93.1
81.07048	45.2
83.04974	7.8
83.08619	49.6
84.00945	3.5
85.02910	22.3
85.06568	4.1
85.10169	28.1
91.05488	24.8
93.07035	16.2
95.04965	34.1
95.08614	33.9
97.02902	4.0
97.10172	7.3
105.07034	21.5
107.04946	7.8
107.08538	6.0
109.06474	5.7
109.10140	20.9
111.08092	10.5
113.05975	4.3
119.08578	12.9
121.10179	11.6
123.11736	8.4
129.07002	11.8
131.08548	12.3
133.10153	8.7
137.09605	4.3
141.53085	3.3
142.07771	4.6
147.11684	13.6
149.09589	3.5
157.10139	12.0
160.05812	3.6
165.12726	6.1
165.16328	3.8
175.11177	22.2
193.12227	76.4
211.13286	61.1
237.63060	3.5
239.23714	11.3
262.33063	3.9
267.15918	53.1
313.27338	55.0
320.43692	3.5
380.87875	4.2
503.00339	3.7
505.38840	31.9
523.39893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84838	10.5
66.83481	11.2
67.05494	27.8
69.07061	34.0
69.11619	9.1
69.54732	89.9
78.16691	10.0
79.05496	26.0
81.07066	100.0
85.02892	14.6
85.06543	14.4
91.05441	16.1
93.07036	29.5
95.08604	75.6
97.06502	19.6
97.10114	12.7
98.20746	23.3
99.08092	19.5
105.07022	28.2
107.08587	30.9
108.08936	10.4
109.06568	13.4
109.10155	35.6
119.08584	30.6
120.08958	10.0
120.97415	10.7
121.10139	37.4
123.11720	17.6
127.98929	10.0
133.10168	25.1
135.11729	29.5
137.06001	49.3
147.11656	9.7
149.13264	17.2
161.13304	13.7
175.14795	19.1
176.15100	12.0
177.16394	21.4
195.17479	16.9
213.18495	28.4
267.10153	15.0
268.10507	10.1
289.25305	17.9
307.26285	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	23.2
57.03428	23.1
57.07078	53.8
57.31993	3.1
67.05499	44.0
67.21476	3.7
69.07066	17.9
69.48456	18.7
69.48884	18.4
71.08629	43.2
78.12884	3.2
79.05504	23.3
81.03411	100.0
81.07054	41.7
83.04991	10.1
83.08611	39.1
85.02892	17.3
85.10170	17.0
86.09708	4.6
88.76978	3.9
91.05473	33.3
93.07050	18.5
95.04971	31.1
95.08593	43.8
97.10162	10.0
104.10732	9.7
105.07001	22.1
107.04969	5.7
107.08595	9.5
109.10155	21.7
111.08078	13.0
113.06013	4.1
115.05435	5.1
117.07047	5.2
119.08585	14.3
120.43387	4.9
121.10130	12.7
123.11697	5.5
126.04885	4.0
129.06999	9.2
131.08557	14.1
133.10107	12.6
135.02019	4.0
135.11652	4.4
135.86749	3.5
147.11691	15.9
149.09572	8.8
157.10162	10.9
175.11162	15.0
179.14282	4.1
184.07405	10.8
193.12247	70.3
207.78528	4.3
211.13237	34.9
212.22496	4.5
223.68349	4.4
229.14381	6.9
239.23727	10.2
241.22362	4.7
243.25819	3.9
249.14848	4.5
267.15906	48.1
277.21634	6.8
313.27374	60.4
336.33298	3.8
391.37149	4.3
494.18335	4.9
504.53662	4.1
505.39291	35.6
523.39893	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.05028	0.6
57.03434	0.3
57.07063	0.2
58.06626	0.5
59.07381	0.2
60.08158	6.5
63.96412	0.1
67.05495	0.8
69.07063	0.8
69.76176	0.1
70.06615	0.1
71.07367	2.9
74.09668	0.1
79.05490	0.4
81.03416	0.4
81.07053	0.8
83.08601	0.6
85.02891	0.1
86.09696	30.7
87.10003	0.2
91.05486	0.3
93.07037	0.4
95.04942	0.3
95.08605	0.6
97.06504	0.1
97.10165	0.3
98.20727	0.3
98.98450	3.1
102.50137	0.1
104.10732	3.0
105.07049	0.1
107.08618	0.2
107.25078	0.1
107.82836	0.1
109.10094	0.2
111.08139	0.1
116.99480	0.1
119.08588	0.1
120.62343	0.1
121.10157	0.3
121.73092	0.1
124.99990	21.7
135.11676	0.2
143.01086	0.3
143.08534	0.1
149.09557	0.2
163.01459	0.1
166.02672	0.1
184.07320	100.0
185.07692	0.5
193.12201	0.2
194.12463	0.1
209.26385	0.1
211.13159	0.2
212.13504	0.1
258.11151	0.2
277.24606	0.1
313.76205	0.1
339.28824	0.1
444.36932	0.1
454.42303	0.1
472.24344	0.1
504.34384	0.9
522.34985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
56.05042	1.8
57.03437	0.5
57.07059	1.3
58.06571	1.8
60.08157	18.2
60.08465	0.9
67.05500	2.8
69.07052	2.7
71.07371	8.3
71.08620	0.7
71.65109	0.5
71.71117	0.4
78.03582	0.4
79.05486	1.2
81.03418	0.5
81.07053	2.0
83.08624	2.0
86.09698	59.0
90.35812	0.3
93.07030	1.7
93.07554	0.4
95.08595	2.0
97.06529	0.5
97.10135	0.9
98.98463	5.0
104.10735	94.6
105.07059	0.7
105.11063	0.5
107.08568	0.8
109.10141	1.2
111.04388	0.5
121.10125	0.7
124.99993	33.3
126.39748	0.4
133.42760	0.3
134.86308	0.4
135.11687	0.7
143.00995	0.6
163.01563	0.5
172.95175	0.6
174.95241	0.4
184.07326	100.0
185.07651	0.6
190.96306	0.5
193.12268	0.5
210.97699	0.4
258.11096	0.8
280.61673	0.4
339.28949	1.3
504.34509	7.4
522.35443	22.5
523.35858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07800	2.1
53.03942	3.0
55.05499	9.2
55.91187	2.1
57.03430	2.4
59.04969	2.3
64.50254	2.0
67.05240	2.0
67.05501	22.2
69.03413	3.6
69.07056	8.9
69.33998	1.9
69.75370	5.1
69.75778	10.6
70.06551	2.3
71.04980	4.9
75.95988	2.3
77.03899	2.1
79.05505	17.7
81.07054	29.8
83.04980	4.1
85.06528	4.6
91.05480	28.7
93.07048	26.4
95.04961	13.9
95.08604	18.4
97.02911	3.0
97.06542	6.7
97.10181	2.5
98.21484	3.4
103.05447	2.8
104.26337	2.2
105.07029	39.5
107.08587	24.3
109.06490	10.9
109.10154	22.1
111.08100	2.8
115.05463	6.0
117.07038	15.8
119.08570	27.6
121.06514	8.5
121.10111	11.2
123.08054	6.1
123.11670	2.1
124.46893	2.5
125.09577	3.0
126.60233	2.2
128.06172	10.0
129.07031	11.8
131.08559	22.3
133.06512	3.7
133.10135	20.0
135.08064	2.4
135.11717	5.3
137.09651	3.4
141.06956	5.6
142.07765	13.4
143.08556	29.5
144.09334	3.8
145.06541	2.0
145.10129	29.8
147.08055	4.7
147.11694	14.9
149.09590	10.9
151.11290	4.6
153.06996	4.0
154.07814	3.4
155.08569	11.5
156.09337	8.8
157.10127	36.6
159.08051	8.9
159.11678	31.1
161.05977	3.3
161.09587	14.1
161.13278	6.6
163.11137	8.1
165.06949	5.4
167.08545	4.4
168.09338	7.0
169.10106	14.2
170.10880	3.6
171.08058	3.0
171.11673	16.8
173.09648	5.1
173.13231	10.9
175.11220	7.8
179.08551	4.6
180.09381	3.0
181.10133	13.0
182.10843	4.3
183.08130	2.6
183.11670	19.9
185.09625	3.3
185.13239	15.1
187.07539	7.6
187.11234	4.9
187.14804	17.2
189.16394	5.0
193.10168	6.0
195.11691	8.6
197.13245	10.5
199.11145	16.0
199.14828	20.7
200.15642	3.1
201.12740	6.1
203.14294	8.1
205.10123	2.7
207.11684	4.6
209.13264	3.5
211.11162	2.6
211.14743	5.4
213.12752	2.8
213.16374	4.0
215.10809	2.6
215.14328	4.0
217.15858	38.1
218.16666	2.8
221.13287	4.3
223.14777	3.7
227.10646	31.9
229.12289	16.9
229.15897	4.8
230.12708	2.3
231.13837	2.7
232.07074	6.8
233.13243	3.1
235.42305	2.1
241.15678	2.3
245.11781	3.3
251.18280	2.1
259.14917	2.5
307.16895	2.2
325.27753	2.2
375.23187	3.9
383.27396	2.6
387.23141	2.6
399.26874	3.0
427.26343	9.7
430.77908	2.2
445.27411	16.8
463.28445	7.4
493.29660	7.2
505.29532	7.5
523.30457	100.0
524.30560	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01871	3.1
55.05507	28.2
57.03447	8.0
57.07084	8.3
61.42428	1.2
64.74584	1.3
65.03949	1.6
67.05502	43.1
69.03424	2.2
69.07069	30.9
69.96166	7.8
71.05002	3.7
71.08627	6.4
79.05484	26.5
81.02923	1.7
81.03413	34.9
81.07053	48.6
83.04982	8.0
83.08614	30.2
85.02899	18.5
85.06547	2.9
85.10170	4.5
91.05470	22.6
93.07037	25.3
95.04965	17.8
95.08603	28.5
97.02871	1.9
97.06522	3.3
97.10166	10.8
98.20846	1.9
99.08111	1.5
105.07036	14.5
107.04955	4.5
107.08594	13.3
109.06513	2.6
109.10148	11.3
111.04421	2.2
111.08067	8.2
111.11728	2.5
112.24254	1.3
113.06055	1.9
117.07034	1.7
117.89368	1.2
119.08578	11.7
121.06520	2.0
121.10142	20.4
123.08131	2.3
123.11712	5.7
125.06033	1.5
125.09660	2.1
129.07013	6.3
131.08574	6.1
133.10135	5.3
135.11682	12.4
137.09592	2.3
137.13225	4.2
145.10042	3.0
147.08102	2.9
147.11665	8.6
149.09644	5.0
149.13286	3.7
153.12740	1.9
157.10114	7.6
161.09433	1.3
163.11357	3.1
175.11279	8.3
193.12233	40.9
209.11710	6.5
211.13301	49.7
211.15288	2.9
219.21112	2.2
225.04170	1.3
227.12854	4.8
237.22148	7.1
239.23842	2.2
267.15967	5.5
311.25876	3.3
429.33356	1.5
503.37399	4.6
521.38397	100.0
542.56079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01860	4.0
55.05256	1.7
55.05505	17.5
57.03424	4.0
57.07074	30.8
65.03932	1.5
67.05500	25.7
69.03423	1.3
69.06761	1.4
69.07070	14.7
71.04977	3.3
71.08275	1.6
71.08631	22.4
79.05487	25.3
81.03405	8.3
81.07052	29.9
83.04974	4.2
83.08617	15.2
85.06514	1.4
85.10175	8.2
91.05462	9.6
93.07037	31.8
95.04962	7.2
95.08604	44.9
97.02879	5.3
97.06520	2.7
97.10162	6.8
99.04448	4.0
103.05483	1.4
105.07033	7.5
107.04938	9.5
107.08593	23.5
109.06516	1.8
109.10130	8.5
111.04438	1.5
111.08071	2.5
111.11684	1.7
117.07012	7.8
119.08572	8.2
121.06501	4.1
121.10136	12.6
123.11697	3.4
125.05993	2.3
125.78526	1.1
130.07788	1.3
133.10121	3.3
135.08026	1.8
135.11691	33.7
145.10114	22.6
150.66522	1.4
163.11182	54.1
181.12213	11.8
193.12236	2.3
209.11765	4.5
227.12779	100.0
229.72575	1.6
231.91750	1.3
239.23732	4.1
267.15948	4.3
311.25693	2.4
334.04822	1.4
503.37891	1.5
521.38373	70.8
522.38580	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	522.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
56.05042	0.2
58.06572	0.4
63.39228	0.2
67.05503	0.2
69.03422	0.6
69.51650	1.7
69.52055	0.4
70.06585	2.6
71.04992	0.3
72.08140	0.2
79.05473	0.4
81.07038	0.3
85.02892	0.7
86.09693	0.9
91.05465	0.5
93.07053	0.5
95.04965	0.3
97.02863	0.4
97.06516	0.5
98.20803	0.3
100.07579	0.4
103.05450	0.3
105.07019	0.7
107.04919	0.4
107.08529	0.3
109.06483	0.2
119.08549	0.7
119.16769	0.2
120.08077	0.8
121.06522	0.3
127.03899	0.4
129.10257	0.2
131.04897	0.3
133.10121	0.4
136.06175	0.3
137.05988	0.8
145.04857	0.3
153.07014	0.4
155.08217	0.3
165.05548	0.3
165.06940	0.7
166.07559	0.3
167.06999	0.9
171.07954	0.4
173.59712	0.2
175.07588	0.3
177.05452	0.3
178.07797	1.3
179.07074	0.4
179.08534	0.5
181.04964	1.0
181.06508	1.0
185.06007	0.5
190.07765	0.3
191.08546	0.4
192.05768	0.4
192.07623	0.3
194.07185	1.7
195.08051	0.7
196.08797	2.0
205.06534	0.3
206.07236	0.5
207.08090	1.8
208.08818	2.0
209.05957	0.8
209.07835	0.3
209.09540	1.1
220.05185	0.8
221.09631	1.3
221.12933	0.3
223.07574	0.6
224.08311	18.2
225.08876	0.5
229.15489	0.9
235.07518	3.1
236.08260	0.7
237.09045	0.6
239.10703	1.8
249.09090	0.7
251.10670	8.0
252.07806	6.7
253.08456	0.5
265.08533	0.6
267.10147	100.0
268.10513	3.4
279.10117	0.5
281.11636	0.8
286.17435	0.3
288.16907	0.3
295.09607	1.4
296.12958	1.4
297.64404	0.2
443.14404	0.3
505.18481	1.4
522.21545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90582	0.7
52.85940	0.6
53.03910	1.9
55.01860	3.3
55.05461	11.5
57.03391	2.1
57.07021	24.6
61.02864	0.7
65.03901	1.6
67.05500	25.2
67.05834	1.3
69.03380	1.6
69.07063	9.6
70.22376	1.6
70.22788	2.7
71.04961	1.6
71.08627	15.7
77.03876	0.9
79.05487	19.0
81.03361	3.1
81.07055	24.2
81.07504	1.2
83.04933	3.0
83.08616	11.8
85.02842	0.7
85.06514	1.2
85.10183	7.3
91.05473	9.0
93.07042	29.7
95.04972	5.6
95.08602	42.2
97.02837	3.0
97.06541	3.9
97.10158	3.8
99.04399	3.2
99.07983	0.8
103.05427	1.1
105.07032	8.6
107.04964	7.5
107.08593	21.4
109.06471	1.9
109.10148	12.3
111.04377	1.4
111.08012	0.8
111.11691	0.8
113.05930	0.8
113.53211	0.7
117.07012	6.8
119.08578	8.1
121.06497	5.2
121.09315	0.9
121.10123	9.5
123.08062	0.7
123.11667	2.5
125.05923	2.7
125.13264	0.8
129.06918	0.8
130.07712	2.2
131.08517	1.1
133.10100	2.3
135.08006	2.0
135.11688	33.3
137.13190	1.0
139.07500	1.2
143.08557	0.8
145.09029	1.2
145.10114	19.4
153.12662	0.8
163.11176	48.5
173.11729	1.3
181.12210	11.5
191.10602	1.1
209.11707	3.9
209.54744	0.7
227.12770	100.0
228.13112	1.3
239.23737	3.2
275.20142	1.2
287.42230	0.7
293.21054	7.8
313.27145	0.9
319.09836	0.6
327.88446	0.7
335.21152	0.7
521.38531	55.4
522.38855	2.4
539.18280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09132	0.7
53.03942	0.7
55.01859	0.8
55.05265	0.7
55.05510	12.2
55.06726	0.5
56.65300	0.5
57.03438	6.5
57.07067	1.7
60.04515	0.9
63.86635	0.5
64.81403	0.5
65.03928	1.2
67.05502	29.0
67.15051	0.5
67.27607	0.4
69.07066	18.8
71.04994	1.0
71.08618	1.4
71.64452	0.8
71.64846	0.8
78.06222	0.5
79.05489	7.1
81.07052	29.3
82.07419	0.5
83.04963	1.4
83.08621	8.1
85.06540	1.2
88.03996	6.1
91.05473	4.8
92.95410	0.5
93.07047	8.9
93.87434	0.6
95.04960	0.8
95.08598	21.7
97.06509	2.1
97.10168	4.0
98.98466	5.0
105.07047	4.4
106.04998	1.6
107.08581	4.7
109.10136	8.8
109.10819	0.9
119.08585	4.0
121.10164	3.7
123.08087	1.2
123.11694	3.6
125.09634	0.6
133.10103	3.6
135.11671	1.2
137.09555	0.8
137.13260	1.3
145.10121	0.6
147.11652	2.1
149.13217	1.1
151.14777	0.9
155.01039	1.3
157.10039	0.8
159.11760	0.6
161.13229	1.7
163.14766	0.6
173.02155	1.2
175.14719	0.8
184.07338	1.0
216.14702	0.9
222.82039	0.5
263.23666	2.2
337.27344	100.0
338.27881	2.6
350.26947	1.9
353.68362	0.7
459.10007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05018	0.5
57.03428	0.2
57.07061	0.1
58.06628	0.6
59.07410	0.3
60.08158	6.9
67.05501	0.5
69.07076	0.3
70.06579	0.1
70.79942	0.3
71.06966	0.2
71.07365	3.3
72.15215	0.1
74.85275	0.1
79.05508	0.2
81.07045	0.4
85.12601	0.1
86.09698	30.1
87.10014	0.1
91.05450	0.1
93.07050	0.1
95.08588	0.3
98.98457	3.4
104.10731	3.0
104.11404	0.2
107.08547	0.1
109.10168	0.2
124.99994	22.6
137.57750	0.1
143.01070	0.2
145.84192	0.1
184.07324	100.0
185.07648	0.4
187.49318	0.1
258.11096	0.3
313.59018	0.1
465.60699	0.1
502.33047	1.2
520.33960	1.7
521.60492	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
56.05030	1.4
57.03413	0.3
58.06308	0.2
58.06568	1.5
59.07379	0.4
60.08157	18.4
61.16166	0.1
65.03944	0.2
67.05499	3.7
69.07066	1.3
70.06570	0.1
71.07366	6.9
71.65628	0.3
79.05474	0.9
81.07047	3.3
83.04961	0.3
83.08609	0.6
86.09696	52.6
87.10004	0.2
88.38312	0.2
91.05431	0.7
93.07051	1.0
95.04958	0.2
95.08595	2.5
97.06463	0.2
97.10139	0.3
98.98457	3.8
104.10733	92.5
105.07005	0.5
105.11058	0.3
106.09192	0.2
107.08575	0.5
109.10162	0.8
119.08571	0.3
121.10136	0.4
123.11630	0.2
124.99993	29.3
130.13519	0.1
131.08595	0.2
133.10094	0.3
133.84950	0.1
135.11667	0.2
137.00011	0.2
143.01076	0.4
163.01541	0.7
166.02620	0.3
181.02664	0.2
184.07321	100.0
185.07664	0.5
219.48570	0.1
233.03735	0.1
240.33539	0.1
258.11044	0.9
271.52448	0.1
272.79596	0.2
330.47345	0.2
337.27151	0.8
339.58353	0.2
424.22211	0.2
441.25934	0.1
443.25449	0.3
502.32901	6.8
520.33960	20.3
521.34265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05491	0.7
57.03401	0.5
63.54137	0.4
64.28238	0.6
67.05467	0.6
68.95558	0.6
69.03428	1.6
69.65324	4.3
69.84888	0.5
70.06588	1.4
72.08142	0.8
79.05489	0.7
81.03405	0.8
81.07021	1.0
83.04978	0.8
84.08120	1.1
85.02917	3.7
85.06496	0.8
86.06020	0.6
86.09727	0.7
87.25348	0.5
89.07162	2.5
91.05490	2.7
95.04964	1.3
95.08590	0.6
96.36577	0.6
96.38335	0.5
97.02908	1.4
98.20763	0.9
103.05463	53.6
104.05785	0.8
105.07017	2.6
107.04979	1.0
107.08633	0.8
109.02883	0.6
109.10176	0.7
119.04952	3.2
119.08579	0.9
127.03888	1.4
131.04921	100.0
132.05287	0.6
133.06496	1.0
133.10080	0.6
137.05972	12.5
145.10117	0.7
146.99841	0.5
147.04410	4.6
149.05972	0.6
151.03992	0.6
151.07526	0.8
159.72833	0.6
161.05983	2.0
163.07539	36.6
175.07538	1.5
179.07034	2.9
185.08101	0.8
191.08577	0.7
219.08194	1.2
227.52409	0.6
247.07559	0.7
251.10730	1.0
265.08566	0.7
270.06790	0.5
279.10077	1.1
291.09940	0.6
297.11295	0.9
299.12720	0.7
311.12842	1.5
316.09256	0.6
323.25653	0.9
341.14041	1.1
358.86554	0.5
475.41446	0.6
521.18182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14244	2.1
53.03919	2.6
55.05492	7.0
67.05508	12.4
69.03426	4.0
69.07051	4.9
69.84575	2.3
71.04984	2.6
71.64552	3.5
79.05480	16.5
81.07053	31.2
83.04968	4.5
85.06532	4.6
91.05469	27.6
91.34091	2.3
93.07038	25.1
95.04961	20.2
95.08597	13.8
95.92725	1.9
97.06525	8.4
103.05495	3.2
104.19500	2.1
105.07027	41.4
107.04950	4.1
107.08591	22.7
109.02847	2.0
109.06544	10.3
109.10133	4.4
110.97258	2.2
115.05463	5.2
116.06248	5.1
117.06989	12.2
119.04893	3.1
119.08591	22.4
121.06488	8.8
121.10103	11.6
123.08074	4.0
128.06206	16.3
129.06990	19.8
130.07776	2.8
131.08548	25.6
133.06488	5.8
133.10152	14.8
135.08037	8.0
137.05960	3.8
137.09583	2.4
141.06998	11.6
142.07748	17.1
143.08554	46.3
145.06474	7.9
145.10117	26.4
147.08037	8.0
147.11691	6.8
149.05991	6.3
149.09631	10.6
151.07574	3.3
153.06989	7.3
154.07788	2.5
155.08517	15.4
156.09363	6.2
157.10133	38.0
159.08076	11.9
159.11693	19.0
161.09605	10.8
163.11160	3.0
165.06979	11.1
167.08566	7.8
168.09328	5.9
169.10109	17.4
170.10838	4.2
171.08041	16.9
171.11719	14.3
172.08733	3.1
173.09627	16.1
173.13222	5.9
175.07660	2.1
175.11205	9.3
178.07782	4.1
179.08514	6.7
180.09290	6.7
181.08566	2.2
181.10081	11.8
182.10838	3.5
183.07962	5.0
183.11652	15.8
184.08791	3.4
185.09628	9.9
185.13277	24.7
187.11159	6.0
187.14748	3.9
189.09061	2.2
192.09381	4.1
193.10127	6.2
195.08051	2.4
195.11693	29.7
196.08769	3.6
197.09648	7.5
197.13242	12.2
198.10402	16.5
199.11188	15.3
199.14719	3.0
201.09065	2.3
201.12683	11.2
203.08562	3.9
205.10103	2.3
207.11768	4.9
209.09477	2.5
209.13258	6.9
211.11127	13.3
211.14832	3.6
212.11942	5.2
213.12735	100.0
214.13361	6.4
215.14253	18.5
221.13258	2.9
223.11139	3.5
223.14789	4.9
225.12761	5.6
225.16182	2.9
227.14201	11.4
229.12222	9.5
231.11720	2.9
231.13776	9.1
233.13167	4.2
235.14731	5.0
237.12688	4.5
237.16470	3.9
239.14305	5.5
241.15889	6.9
243.13835	3.7
247.14944	3.0
249.12816	3.1
251.14397	5.7
253.15791	7.5
254.16826	3.3
255.13905	4.8
255.17471	5.4
265.15857	5.0
267.13574	3.4
267.17474	2.6
269.15445	5.4
281.18884	2.7
293.18896	2.8
305.18951	3.0
335.16354	2.9
337.21628	4.8
339.26221	2.8
363.23160	4.3
383.27151	2.2
385.21429	2.8
407.23407	2.7
415.26160	6.1
425.24768	7.3
429.27740	10.8
433.27258	9.1
443.25732	34.8
461.26584	63.8
503.27786	8.1
521.28882	56.4
521.40503	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
54.36147	1.7
55.01872	8.9
55.05510	25.4
57.03433	7.1
57.07074	46.4
57.74787	1.7
67.05176	3.1
67.05507	44.3
69.03445	2.0
69.07070	24.2
71.04986	4.1
71.08633	31.7
71.64309	1.6
79.05495	40.5
81.03419	41.0
81.07056	39.7
83.04984	18.1
83.08621	27.8
85.02889	5.6
85.06516	2.9
85.10190	13.2
91.05477	21.6
93.07040	32.6
95.04965	13.6
95.08606	50.3
97.02915	2.9
97.06536	5.8
97.10171	12.7
99.04481	2.9
99.08112	1.8
105.07035	13.0
107.04957	33.7
107.08601	18.6
109.06509	4.2
109.10149	20.1
111.04457	5.4
111.08134	4.5
111.11703	3.2
117.06998	10.9
119.08575	13.7
121.06535	3.2
121.10151	11.7
123.08054	4.1
123.11706	5.9
125.09668	2.7
129.07039	3.2
131.08595	8.3
133.10156	3.0
135.08075	3.6
135.11690	28.0
137.13277	3.6
138.07391	1.9
145.10118	24.1
147.08011	2.9
147.11719	3.8
149.09610	2.4
153.12747	15.9
157.10153	4.0
163.11185	43.4
167.08617	2.2
169.10083	2.6
173.09630	4.8
175.11098	1.9
181.12201	14.5
191.10677	12.7
193.12291	6.4
209.11777	8.1
211.13271	3.4
227.10524	3.5
227.12784	71.1
239.23744	8.1
265.14343	19.5
267.15872	3.5
280.68903	2.2
311.26111	4.1
313.27380	24.0
411.32718	2.4
416.56741	1.9
429.33633	9.1
447.34195	1.7
482.48999	2.1
503.37402	19.1
514.01599	1.9
521.38403	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01865	2.7
55.05505	17.7
57.03432	2.8
57.07075	38.2
67.05499	29.8
69.03407	2.0
69.07066	11.8
69.38405	19.9
71.04987	2.2
71.08633	22.4
79.05487	30.0
81.03408	2.0
81.07053	32.9
83.04957	3.2
83.08611	16.1
85.10172	14.5
86.20492	1.6
89.92905	1.9
91.05466	9.3
93.07040	43.6
95.04942	6.9
95.08601	59.9
96.55566	1.8
97.02873	3.6
97.06519	3.3
97.10149	5.4
99.04449	4.1
105.07022	9.3
107.04953	9.4
107.08591	33.9
109.06536	2.3
109.10133	8.4
117.07020	9.1
119.08580	11.3
121.06506	5.9
121.10117	12.0
123.11658	3.1
125.06015	2.5
130.07768	2.5
133.10124	2.6
134.53629	1.9
135.11694	40.3
145.10121	29.2
163.11171	55.4
163.12535	3.2
181.12218	11.5
181.68237	2.0
227.12776	100.0
239.23642	2.8
268.65381	1.9
398.13190	2.1
402.59210	1.9
521.38348	58.0
522.38428	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	520.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01859	4.8
55.05507	3.1
57.03435	3.1
57.07047	1.6
58.06587	1.5
59.04985	1.6
61.02922	2.8
65.03936	1.6
67.05499	5.3
69.03430	13.3
69.07054	3.2
69.77186	6.3
70.06582	5.6
71.04964	6.1
73.02906	5.3
77.03931	1.3
79.05496	10.3
81.03408	6.6
81.07048	7.6
83.04969	3.8
84.08104	1.2
85.02418	1.6
85.02905	18.8
85.06531	4.2
85.77893	1.1
86.09737	1.1
87.00828	24.8
87.04465	2.6
90.36645	1.2
91.03936	1.5
91.05470	20.5
93.07050	9.9
95.04967	8.4
95.08599	8.9
97.02892	100.0
97.06519	4.8
98.03234	1.3
98.20739	2.3
99.04478	7.5
103.05442	1.6
105.01855	11.1
105.07030	44.7
107.04929	3.8
107.08591	20.6
109.02874	3.3
109.06522	7.9
111.04424	2.7
111.08106	2.5
115.01688	1.3
115.03915	2.8
115.05436	3.4
116.06217	3.0
117.07030	7.8
119.04927	2.3
119.08591	18.6
121.06483	5.5
121.10143	5.9
123.04439	9.4
123.08049	4.1
125.09634	13.1
127.03899	7.2
127.07529	1.5
128.06230	5.9
129.06990	10.8
131.08568	55.0
133.06483	11.2
133.10136	8.2
135.04420	4.5
135.08041	3.3
137.05974	4.8
141.05473	4.1
141.06992	3.4
141.09106	5.0
142.07817	6.9
143.03453	2.6
143.08563	19.7
144.09270	1.6
145.02849	1.6
145.04945	2.7
145.06480	5.0
145.10123	34.9
147.08028	15.4
147.11671	5.1
149.05957	1.7
149.09608	9.0
151.07559	4.0
153.05476	1.6
155.08540	4.9
156.09317	9.1
157.06508	3.8
157.10118	14.9
159.08049	19.2
159.11720	8.8
161.05991	3.5
161.09618	4.2
161.13249	2.7
163.03891	11.5
163.07565	4.4
163.11198	3.0
165.09171	3.4
167.06963	2.0
167.10638	5.7
169.10104	3.8
171.11697	35.8
173.04533	1.9
173.09584	9.3
173.13260	1.8
175.07561	10.0
175.11156	7.7
177.09113	5.4
178.08614	3.6
179.07045	3.7
181.10129	4.8
183.06505	4.1
183.11722	1.5
184.08820	2.0
185.09608	4.4
187.07587	5.4
187.09758	1.5
187.11197	10.2
189.09142	3.0
189.12735	28.6
191.10690	5.4
193.08627	5.3
195.10251	1.5
196.09738	10.2
197.09637	2.5
199.11176	28.5
201.03934	42.2
201.12860	1.3
203.10704	8.3
205.08595	7.6
205.12207	9.6
207.13863	2.4
215.10677	6.9
217.12247	15.7
219.04958	10.8
227.10637	5.9
233.11723	6.7
235.13280	5.6
236.07863	1.2
245.11737	14.7
251.12807	1.7
263.12805	10.3
267.10278	1.2
281.13986	2.4
288.37076	1.2
288.51572	1.2
323.14893	2.0
341.15927	24.8
345.08124	4.8
358.13666	1.6
363.09149	5.4
429.81226	1.2
520.20404	1.7
521.16095	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	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.7
57.03431	5.2
57.77440	2.4
58.01542	2.2
58.06592	5.3
67.05507	13.3
69.03412	7.7
69.07045	9.3
70.06554	2.7
71.04991	3.6
71.64997	3.7
75.04469	9.2
79.05492	23.7
81.03389	3.1
81.07053	100.0
83.08607	5.4
84.08142	4.0
85.02888	11.6
86.09703	4.4
86.59006	2.2
87.00825	4.8
87.04455	3.2
91.05440	12.8
93.07043	33.2
95.04933	5.5
95.08595	27.9
97.02885	14.1
97.06499	2.8
99.04450	5.3
105.01842	7.5
105.07027	44.2
107.08589	93.5
109.02869	4.5
109.06499	4.9
109.10137	14.6
111.08047	3.0
117.07005	3.8
119.04919	2.2
119.08591	23.2
121.06551	3.7
121.10126	27.5
123.04441	2.3
123.08069	3.2
123.11682	3.4
127.03917	14.8
131.08586	14.8
131.12802	2.2
133.10121	15.4
135.08040	4.2
135.11700	15.3
137.05960	5.0
143.08527	3.1
145.04935	6.9
145.10124	28.8
147.11667	3.9
149.09648	3.3
149.13240	26.4
159.11685	21.4
161.13245	39.8
163.11188	5.8
163.14813	71.9
167.07025	3.8
171.11751	3.1
173.13243	8.2
191.17937	16.0
192.23514	2.4
201.16382	33.3
219.17416	30.6
231.04701	4.6
237.18509	6.3
245.11870	3.8
249.06046	5.7
279.10602	2.3
284.09775	8.9
335.14279	2.9
340.12976	2.7
520.22986	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	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	15.9
69.03428	28.0
69.07059	17.3
69.49995	92.3
71.04993	21.9
72.49339	10.5
72.52928	9.0
79.05472	19.0
81.03408	22.9
81.07055	43.5
84.08125	10.5
85.02914	34.3
87.00846	12.3
91.05434	13.3
93.07047	26.3
95.04980	22.5
95.08586	24.3
95.54635	9.2
97.02882	19.7
97.06522	20.3
105.01867	14.0
105.07037	56.3
107.08600	46.0
107.45067	9.4
109.02857	20.3
109.06514	14.3
109.10187	14.2
112.64169	11.7
117.07037	9.9
119.08611	40.6
121.10126	19.3
122.83195	12.6
127.03909	28.5
131.08554	21.0
133.10110	61.4
135.11681	16.6
137.05980	63.9
143.08635	13.8
145.05045	9.4
145.06573	9.6
147.11681	15.0
149.13239	12.9
157.10109	22.4
159.11693	83.4
161.13254	35.7
167.06969	21.8
171.11737	10.5
175.11241	11.0
175.14790	24.1
177.05386	11.2
177.12729	100.0
187.07527	12.0
189.09157	10.8
189.16403	20.2
199.14877	33.4
199.91840	11.7
201.09167	13.5
204.06500	12.6
207.56314	9.5
209.22029	11.0
213.82344	11.1
217.15834	98.2
235.16943	84.5
250.15791	13.7
259.09631	10.0
263.11002	12.1
299.06317	15.7
380.16678	13.3
448.15768	14.3
518.72375	10.8
519.20264	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	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.05501	8.2
67.05497	18.1
67.94564	5.4
69.03415	16.5
69.07062	7.5
69.89636	29.8
72.20327	4.9
79.05486	23.9
81.03406	14.2
81.07054	70.6
83.95272	4.9
85.02905	38.4
86.97273	4.4
87.00839	7.1
91.05455	46.5
93.07039	46.8
95.04970	9.3
95.08613	43.3
97.02897	13.4
97.06507	6.2
98.21447	5.7
105.07027	82.0
107.08556	36.4
109.02879	13.0
109.06497	8.6
109.10151	21.0
111.52859	4.9
117.07001	18.8
118.53730	4.7
118.71372	4.7
119.08588	61.2
121.10136	16.1
123.08070	5.0
123.11729	7.9
127.03889	14.3
128.06160	4.9
129.07045	10.2
131.08575	37.9
133.10097	54.2
135.04445	7.4
135.11679	7.7
137.05959	24.1
142.07762	9.5
143.08545	17.7
144.09331	6.7
145.04950	7.9
145.10118	18.5
147.11664	25.8
149.13229	25.0
157.10123	39.2
159.11684	100.0
161.05969	9.7
161.09613	11.5
161.13240	96.5
167.06996	12.4
171.11639	10.6
172.08916	6.2
175.11188	8.0
175.14798	6.7
177.12758	25.0
187.14903	5.6
189.16360	49.8
192.38771	4.8
199.14798	38.3
217.15884	65.8
235.16884	21.8
253.17964	7.6
262.81848	5.3
288.28354	4.9
293.11392	5.2
299.06198	8.9
302.12506	4.8
337.14041	5.5
339.12265	6.9
460.82758	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	519.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03948	6.2
53.61038	1.1
55.01869	2.5
55.05508	23.9
57.07075	45.4
62.80413	1.2
65.03937	3.7
67.05504	52.5
69.07069	22.1
71.04993	1.8
71.08636	33.9
71.65073	1.8
73.06574	1.7
78.48518	1.1
79.05492	55.2
80.05828	1.2
81.03423	7.6
81.07056	53.4
83.04973	11.7
83.08622	22.4
85.02942	2.1
85.10175	18.1
90.90424	1.3
91.04897	1.7
91.05473	45.7
93.07041	44.5
95.04972	18.2
95.08604	48.7
97.06544	3.8
97.10184	11.8
99.08086	1.3
101.06120	1.2
105.07028	28.9
107.04966	4.1
107.08603	13.6
109.06544	5.5
109.10167	14.3
111.08125	1.7
111.11719	3.0
115.05399	1.5
117.07006	7.0
119.08593	16.8
121.06528	3.6
121.10167	3.1
123.08109	5.1
123.11739	4.5
128.06226	3.3
129.07008	14.6
131.08594	2.9
132.43492	1.1
133.10114	9.0
135.11699	3.7
137.13280	2.2
143.08562	7.6
145.10115	9.7
147.08064	2.7
147.11685	30.7
147.12785	2.1
151.14844	1.9
156.09296	1.4
161.09627	3.0
161.13257	9.5
163.11235	4.2
171.11681	24.8
189.12756	10.6
207.13815	32.3
209.11781	1.5
225.15007	3.7
227.12830	3.3
239.23653	7.9
281.17532	2.8
287.03589	1.3
299.06360	1.4
399.78070	1.2
471.21783	1.3
519.40625	100.0
520.40717	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	18.2
54.17619	12.0
54.34445	11.5
55.05498	16.7
65.03947	12.2
67.05508	28.9
69.03413	49.4
69.07083	20.2
69.57061	61.2
69.57493	50.6
70.06587	23.4
71.04976	23.0
79.05486	33.7
81.03403	58.1
81.07048	37.8
85.02891	86.4
87.00829	21.2
91.05475	36.7
93.07032	53.5
95.04945	35.7
95.08610	38.8
97.02880	49.5
97.06518	34.4
99.04456	27.2
103.05441	14.8
105.07020	74.8
107.04973	27.4
107.08591	40.0
109.02878	40.5
109.06503	19.5
109.10161	28.0
119.08565	29.3
121.10102	24.0
127.03917	100.0
129.06952	18.3
131.04904	14.5
131.08556	30.1
133.02904	19.1
133.10085	35.3
137.05988	82.0
143.08554	20.9
145.05023	30.6
145.10110	26.5
146.00613	12.9
147.04384	15.5
157.10173	23.3
159.11720	58.3
161.13263	33.6
165.09180	19.2
167.05629	20.7
167.07018	45.0
171.11702	20.5
175.07587	16.8
175.11179	17.1
177.12711	75.2
183.11778	19.3
187.07472	22.6
199.14821	25.6
201.12877	15.2
213.03882	14.7
217.15912	55.9
235.16902	52.5
241.08618	12.6
249.09163	16.8
253.18199	16.2
299.06152	30.7
300.06100	14.2
433.17029	21.4
520.22662	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.0
57.03418	0.8
58.06599	37.0
58.06874	1.3
61.02892	1.1
67.06081	0.3
69.03430	3.2
70.06555	1.3
71.64221	0.5
72.08123	1.2
73.02897	0.5
81.03397	0.9
84.04483	0.4
85.02435	0.4
85.02907	6.5
86.09666	0.5
87.04438	0.3
97.02898	1.8
99.04408	0.4
107.04901	0.3
109.02856	0.9
120.08018	0.4
127.03905	1.0
138.05515	0.4
148.04758	0.3
163.03838	0.4
165.06987	1.7
167.08607	0.5
179.08545	1.6
181.06516	0.4
182.07217	0.4
183.08078	2.7
189.06979	0.6
192.05620	0.4
193.06483	1.7
194.07295	0.7
195.08037	1.2
195.62135	0.4
197.05966	1.2
197.09615	0.6
206.07056	0.4
207.08055	4.9
209.06030	0.5
209.09683	0.4
210.06734	0.9
211.07489	2.5
213.05359	0.7
217.06648	0.3
219.08020	0.5
221.05975	3.4
222.06718	1.0
223.07553	2.0
224.08260	0.7
225.09091	2.3
227.84906	0.3
233.06020	0.4
234.06686	0.4
235.07530	5.3
236.08261	0.4
237.05424	0.7
237.09111	5.0
238.06230	12.0
239.06976	4.9
249.05484	4.2
249.09390	0.4
250.06094	0.3
251.07040	2.7
252.07881	2.7
253.08606	14.6
254.05836	0.5
254.09009	0.5
255.06497	1.1
255.10124	0.5
263.07028	3.4
264.07739	0.4
265.05002	0.6
265.08517	0.6
265.14175	0.4
266.05719	4.8
266.57120	0.3
267.06497	0.8
267.10031	0.8
269.08084	0.5
278.05856	0.3
279.06464	2.9
280.07294	1.6
281.08081	47.6
282.08670	1.7
283.06015	4.3
283.09561	1.0
283.43860	0.4
295.06308	0.7
295.09637	11.5
296.06808	1.2
296.10379	0.9
297.07587	0.8
298.08365	25.5
299.06076	0.4
300.06253	0.5
300.09885	0.5
307.06131	0.7
311.09146	2.3
312.09689	1.6
313.10684	14.1
315.12241	0.6
321.07458	0.3
322.08331	0.7
323.09018	0.5
340.09375	2.0
341.16235	0.7
358.16132	1.5
424.08331	0.4
475.16010	11.0
477.17654	0.5
520.21790	100.0
521.22333	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	520.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01864	5.0
57.03424	4.6
58.06588	3.7
61.02925	5.0
68.99780	11.4
69.03430	35.1
69.07041	3.1
70.06593	5.5
71.05003	15.0
71.62535	4.8
72.24837	3.0
74.33397	3.4
81.03432	18.2
81.07049	7.9
85.02904	43.9
86.09708	5.0
87.00819	12.0
87.04456	8.0
91.05447	4.9
93.07080	3.4
95.08603	5.4
97.02896	24.7
97.06526	5.9
99.04456	10.6
105.01847	6.4
105.07026	12.1
107.08621	3.8
109.02901	31.2
109.10082	3.6
115.03914	10.5
121.06540	3.0
121.10096	3.9
125.09634	6.5
127.03934	53.4
129.01799	4.6
131.08527	3.2
132.08778	3.7
132.43788	3.0
133.04933	14.7
133.10164	5.5
135.07976	4.9
137.05971	9.2
143.03351	4.0
145.04942	11.1
145.10193	3.7
155.03394	21.0
156.76483	3.0
162.06790	4.0
169.02209	3.1
173.04424	5.9
173.13174	5.6
183.02881	100.0
191.10681	3.7
191.14333	18.5
201.03943	11.4
201.16489	3.3
209.15370	31.7
213.03922	18.8
219.17459	4.0
222.94371	3.4
226.63557	3.3
231.04970	4.0
243.05025	6.4
249.08887	3.8
261.06055	3.4
273.06064	7.5
317.08661	4.0
324.40805	3.5
325.10611	6.8
326.46622	3.4
327.07071	12.7
340.13135	19.5
345.08212	58.1
363.09238	23.3
520.23962	11.2
521.22681	3.9
542.68762	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	519.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
67.05505	8.0
69.03419	10.5
69.07024	4.7
70.06590	31.4
71.05556	8.2
71.05914	11.2
72.08150	17.7
73.04723	6.3
75.45236	4.3
79.05503	7.4
81.03422	6.3
81.07052	18.7
84.04503	5.5
84.08138	15.1
85.02880	17.5
86.09689	13.3
91.05366	5.7
91.05804	15.9
93.07028	9.5
94.23953	4.6
95.04984	6.3
95.08598	11.3
97.02870	15.2
99.04456	5.7
105.07003	17.9
107.08591	12.0
109.02897	6.0
109.06560	7.1
109.10147	12.3
117.07005	13.5
119.08598	21.5
121.06525	5.1
121.10131	7.0
127.03931	10.2
131.08548	13.6
133.10150	14.0
135.11678	16.0
137.05978	8.6
143.08524	10.8
145.10085	6.4
149.13199	5.4
157.10167	10.6
159.11694	100.0
161.13237	17.0
167.05566	23.8
173.13226	5.6
174.12361	4.3
175.14842	6.7
177.12788	25.6
189.16377	13.3
199.14757	25.7
205.15854	4.5
213.72226	4.3
217.15907	32.1
235.16927	28.9
237.64424	4.4
253.17955	31.3
299.06165	23.2
344.97690	11.5
357.21536	6.1
501.24973	6.3
519.18628	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	18.2
54.17619	12.0
54.34445	11.5
55.05498	16.7
65.03947	12.2
67.05508	28.9
69.03413	49.4
69.07083	20.2
69.57061	61.2
69.57493	50.6
70.06587	23.4
71.04976	23.0
79.05486	33.7
81.03403	58.1
81.07048	37.8
85.02891	86.4
87.00829	21.2
91.05475	36.7
93.07032	53.5
95.04945	35.7
95.08610	38.8
97.02880	49.5
97.06518	34.4
99.04456	27.2
103.05441	14.8
105.07020	74.8
107.04973	27.4
107.08591	40.0
109.02878	40.5
109.06503	19.5
109.10161	28.0
119.08565	29.3
121.10102	24.0
127.03917	100.0
129.06952	18.3
131.04904	14.5
131.08556	30.1
133.02904	19.1
133.10085	35.3
137.05988	82.0
143.08554	20.9
145.05023	30.6
145.10110	26.5
146.00613	12.9
147.04384	15.5
157.10173	23.3
159.11720	58.3
161.13263	33.6
165.09180	19.2
167.05629	20.7
167.07018	45.0
171.11702	20.5
175.07587	16.8
175.11179	17.1
177.12711	75.2
183.11778	19.3
187.07472	22.6
199.14821	25.6
201.12877	15.2
213.03882	14.7
217.15912	55.9
235.16902	52.5
241.08618	12.6
249.09163	16.8
253.18199	16.2
299.06152	30.7
300.06100	14.2
433.17029	21.4
520.22662	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46275	6.9
55.05507	9.8
57.03428	7.7
58.06578	6.4
58.45467	5.8
61.02910	6.5
63.49141	5.9
67.05496	18.7
69.03419	24.7
70.66212	14.5
70.66582	15.6
79.05478	29.9
81.03440	15.9
81.07063	42.8
85.02897	36.4
91.05476	22.0
93.07026	36.0
95.04969	12.3
95.08615	38.6
97.02882	21.9
97.06518	17.1
99.04449	8.2
99.60107	8.0
105.01852	9.7
105.07040	47.9
107.08593	35.4
109.02873	14.6
109.06522	12.3
109.10165	8.4
111.04386	9.8
117.06911	10.2
118.66518	6.5
119.08562	34.2
121.06510	14.5
121.10112	14.5
123.08037	9.6
127.03922	22.7
131.08565	16.5
133.10112	24.9
135.08014	23.8
137.05980	44.8
137.09636	10.0
143.08574	25.4
145.04935	8.8
145.10086	11.8
147.11705	13.6
149.05966	8.9
157.10071	17.2
159.08063	9.9
159.11685	13.3
161.06009	13.9
161.13234	61.7
162.06772	16.1
163.07706	7.4
163.14812	8.1
169.92218	8.1
172.30766	6.5
185.13200	8.3
187.52547	7.5
189.16348	15.7
191.08577	10.0
199.14894	36.2
201.16331	10.6
205.67621	7.0
207.08095	8.2
217.15860	46.2
219.08072	8.8
219.17461	25.1
235.16924	100.0
245.11917	8.5
247.07465	10.1
253.17990	85.1
271.19061	9.5
279.09946	11.0
291.10135	9.1
307.09726	14.9
325.10416	8.8
339.12256	10.0
340.13043	55.8
403.42746	8.0
469.30081	7.2
519.24792	36.5
520.23376	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	519.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.6
53.03948	1.4
65.03906	2.0
67.05513	2.3
69.03410	2.3
69.07062	2.0
71.64462	1.5
73.04765	1.6
79.05472	2.8
81.03408	2.1
81.07037	2.7
85.02911	2.0
89.02374	1.4
91.05434	7.3
93.07027	1.8
94.04182	3.4
95.04979	2.3
95.08582	1.5
97.02881	1.9
97.06509	4.8
105.07027	2.9
107.04931	2.8
107.08559	2.0
109.06500	3.7
115.05451	1.4
117.06976	1.6
119.04942	2.5
122.03625	7.5
129.07005	2.5
131.04906	2.4
133.02820	1.6
133.06462	1.5
137.05971	100.0
145.06470	2.1
146.23026	1.4
147.04390	4.0
147.11673	2.2
149.05920	3.3
151.03894	3.1
151.07504	4.9
157.06467	1.7
158.07210	1.4
160.05193	2.1
161.05948	11.5
162.06833	1.3
163.03989	1.5
163.07545	3.0
167.05586	1.8
167.06956	2.9
172.05191	1.6
173.06006	1.8
174.06726	2.8
175.07469	9.9
177.05489	5.7
179.06889	2.0
181.06493	2.4
187.07590	6.8
189.09093	4.7
191.06949	3.4
199.07510	1.8
201.09096	2.2
211.07498	5.1
213.09122	3.3
215.08705	2.0
217.08597	3.0
218.07173	1.9
223.07584	1.6
226.06381	1.8
227.06842	1.4
231.07971	1.6
235.07442	3.0
235.16743	1.3
239.06847	1.5
240.07860	1.5
241.08588	6.5
243.08104	2.0
245.09584	2.2
247.07512	1.5
248.08116	1.8
249.09077	2.5
251.06935	1.9
253.08531	2.1
260.08398	1.8
261.09119	4.5
263.06973	2.7
263.10693	1.6
264.07867	2.4
265.08569	3.0
269.08054	2.0
270.08759	3.0
271.07404	2.7
272.08307	2.5
273.09158	2.8
275.10419	2.9
277.08597	5.2
278.09232	2.1
281.11639	1.7
283.09659	3.6
287.07062	1.4
287.10422	1.4
289.08667	3.8
291.10260	3.3
293.08255	1.6
293.11737	1.7
294.08902	2.2
295.09549	5.3
297.11227	3.3
299.06082	2.7
300.07855	1.9
301.08591	3.8
303.10123	4.8
305.08270	2.8
305.11655	3.0
306.08652	2.1
307.09583	5.9
309.11227	3.6
314.09103	1.7
315.10184	5.9
316.10956	1.8
317.08151	2.3
317.11661	2.8
320.10403	2.7
321.11172	9.4
323.12854	3.7
325.10791	2.0
331.09698	2.7
332.10294	6.5
333.11148	3.7
335.12766	11.2
337.14297	1.7
339.12225	2.1
343.09784	1.6
344.10519	1.9
345.11203	2.1
346.12048	2.0
347.12827	14.1
356.10498	2.1
359.12878	2.5
362.11578	1.5
365.13824	20.9
371.09003	2.9
372.09790	3.1
377.13959	7.3
381.10663	1.9
384.09564	1.8
385.10751	3.5
387.12128	5.5
395.14926	10.8
398.10922	2.1
399.12323	3.5
403.11978	2.0
414.10965	2.6
415.11673	6.7
417.13245	3.5
418.13809	2.9
429.13202	6.6
430.13910	6.2
431.14636	1.7
439.15326	2.4
448.15149	36.7
449.15842	9.3
451.15213	1.5
459.17935	2.0
461.16217	3.1
471.18060	4.1
483.17581	4.4
487.17410	3.0
489.19272	1.8
501.18985	18.3
519.20215	10.6
519.27747	1.9
537.59442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05028	0.6
57.03432	0.3
58.06624	0.4
59.07395	0.2
60.08159	7.0
61.35123	0.1
67.05503	0.7
71.07368	3.4
71.61942	0.1
71.62268	0.1
77.81171	0.1
79.05483	0.3
81.07048	0.5
86.09698	33.5
87.10043	0.1
91.05466	0.1
93.07026	0.3
95.08589	0.2
98.98463	3.3
104.10741	3.0
105.07059	0.2
107.08564	0.2
109.10216	0.1
124.99995	22.6
126.64035	0.1
143.01082	0.2
166.02660	0.1
184.07327	100.0
185.07689	0.7
187.46928	0.1
234.62770	0.1
241.08701	0.1
258.11096	0.2
335.25833	0.2
500.31381	1.1
518.32361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05018	1.4
57.03414	0.3
58.06578	1.7
59.07369	0.5
60.08157	16.3
67.05492	2.9
69.07053	0.8
70.06603	0.5
70.17375	0.7
70.17771	0.5
71.07365	7.2
79.05486	1.8
80.97436	0.3
81.07049	2.0
83.08581	0.3
86.09695	52.9
91.05458	1.5
93.07034	2.1
95.08610	1.6
98.98454	4.9
104.10733	100.0
105.07020	0.8
105.11075	0.6
107.08594	0.7
109.10143	0.5
119.08598	0.5
121.10122	0.6
124.99991	27.7
131.08577	0.3
143.01045	0.5
184.07320	97.1
185.07753	0.3
199.39574	0.3
220.66531	0.3
253.11520	0.3
258.11008	1.1
304.38382	0.3
335.25803	0.8
380.96695	0.3
441.23944	0.5
500.31326	7.5
518.32385	23.5
519.32697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85831	1.9
55.01862	7.7
57.03432	3.1
61.26085	2.3
65.03918	2.8
69.03447	11.2
70.75832	5.9
70.76170	2.4
79.05486	5.2
81.03400	6.0
81.07033	3.4
84.08128	3.1
85.02895	17.3
86.52555	2.1
91.05463	4.3
92.38786	2.3
93.03407	2.8
95.04974	3.2
97.02881	5.2
103.05469	7.0
105.07036	6.0
107.04986	2.4
107.08649	2.5
109.02880	2.7
109.06500	5.3
115.05436	4.1
119.04934	2.1
119.08586	4.5
122.03650	6.7
127.03931	4.0
129.07013	2.6
131.04924	10.1
132.05682	2.1
133.06526	3.3
135.04465	3.0
137.05972	100.0
140.25572	2.3
143.04929	4.0
145.05058	2.3
145.06371	2.2
147.04335	3.7
149.05914	3.0
151.03984	3.4
153.05452	3.0
155.04895	3.3
157.06450	2.1
161.05968	15.2
161.13199	2.9
163.07520	9.5
164.03484	2.2
165.05505	9.1
165.06766	2.3
167.02229	2.4
167.05571	2.9
167.06969	4.0
168.04292	1.9
171.04361	2.5
173.05946	3.3
175.07542	6.0
177.05490	7.2
179.08583	2.4
187.07542	5.4
189.06989	3.8
190.07814	4.8
191.07004	10.6
191.08504	3.0
199.07635	2.6
203.07040	6.0
205.06465	3.1
205.52219	2.8
207.08072	2.7
215.07091	6.5
217.06761	2.4
217.08607	12.4
217.15836	2.4
218.07260	7.3
219.08046	11.6
220.08861	3.5
221.05962	2.8
233.09546	3.2
234.06635	5.6
235.07500	8.3
236.08350	2.8
246.06859	8.0
247.07520	12.8
248.08336	3.7
249.09145	8.9
251.07085	2.6
251.10497	2.9
261.09015	14.9
262.06158	3.3
263.07001	7.7
264.07828	8.6
265.08606	6.1
267.10120	4.1
274.06210	6.6
275.07047	5.9
276.07745	2.9
277.08640	9.8
278.09314	4.1
279.10168	6.8
288.07974	2.3
289.08530	21.8
289.11273	3.1
290.09256	4.8
291.10187	7.4
294.08820	5.1
295.09729	5.2
306.08801	5.0
307.09634	35.8
309.11142	14.3
311.12909	2.8
321.11203	49.3
323.12836	14.5
327.12201	39.5
339.12241	36.8
341.13858	4.4
357.13297	13.8
358.53821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.1
61.02917	1.7
69.03432	2.8
70.06596	2.8
70.85521	3.1
73.02931	1.5
85.02918	6.8
95.16568	1.1
97.02893	2.1
98.97572	5.4
110.97590	1.9
112.99155	4.1
116.98610	3.3
119.01927	2.0
120.88575	1.2
124.23772	1.2
127.03925	3.0
128.98647	3.3
131.00153	6.8
134.83426	1.0
143.01910	1.4
145.01616	1.5
145.04948	1.7
147.03209	1.4
149.01248	3.1
155.01933	1.6
157.01677	2.2
158.99608	2.4
159.04901	1.3
161.01207	1.3
161.02890	1.2
162.72789	1.2
163.02689	1.5
163.03906	3.4
173.01381	1.2
173.02963	2.7
175.02760	2.7
177.00761	2.0
178.04913	2.5
185.03062	1.5
187.02875	2.9
191.03867	1.4
193.03946	3.1
199.02621	1.3
205.03821	1.6
211.04802	1.9
217.01985	1.8
219.01784	3.1
222.05415	1.3
229.03830	1.8
237.02837	3.4
245.05132	4.1
246.05302	2.0
247.04839	6.9
253.05951	1.3
264.07657	2.4
264.57715	2.4
265.06039	4.3
269.05222	1.3
272.06638	2.6
277.06055	1.9
283.07150	2.4
291.04004	1.4
307.07156	1.3
309.04977	3.3
321.10263	2.2
337.08142	5.0
355.09064	3.3
365.09003	1.4
367.09216	6.5
381.07056	3.1
517.13214	100.0
518.13696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.6
58.06573	0.5
61.02905	0.8
69.03430	2.9
70.06554	1.7
71.04967	0.7
71.65194	0.9
72.08115	1.6
81.03384	0.9
84.08102	0.7
85.02892	5.3
86.09666	2.2
87.19858	0.4
97.02853	2.2
108.99641	0.5
109.02847	0.9
119.08510	0.6
127.03850	1.7
131.08540	0.6
131.18375	0.5
131.40781	0.5
137.05917	1.9
139.03831	0.9
145.02884	0.6
173.73003	0.5
177.05435	0.8
185.04308	0.7
207.06723	0.8
210.05489	0.8
220.07549	0.8
221.08379	0.8
222.05536	0.8
233.08316	0.6
234.05489	1.8
235.06274	4.3
236.06972	2.0
246.27321	0.5
248.07072	3.6
249.07880	4.5
250.04927	1.0
251.05688	0.9
252.06573	5.3
262.04956	2.8
263.05765	3.2
264.06500	4.9
266.04843	0.5
266.08090	1.1
274.04996	1.1
276.06577	2.1
277.07278	3.1
278.04483	4.6
278.07767	1.1
279.05231	4.3
280.06058	16.6
287.05692	2.1
288.06537	10.5
290.04480	9.8
291.05209	5.5
292.05997	3.3
293.06781	0.6
294.04636	0.4
294.07617	10.6
294.10986	1.1
296.05536	0.6
296.09229	0.6
304.06046	3.4
305.06802	2.7
306.03940	4.7
306.07629	7.1
308.05505	68.8
309.05997	1.0
312.12119	0.6
322.07230	1.6
323.07846	14.2
338.10211	83.8
339.10696	0.8
356.11264	100.0
357.11636	1.6
500.16464	0.7
518.19281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79386	0.7
66.97055	0.9
69.03425	1.4
70.06580	1.0
71.62948	1.3
72.08160	0.8
79.05496	1.2
85.02892	1.6
89.03931	4.5
90.85711	0.7
91.05509	0.9
97.02892	1.6
107.04941	1.6
116.85278	0.9
116.98618	1.1
117.03400	7.0
119.04943	1.1
120.08081	1.5
121.08404	1.0
122.06011	0.9
127.03941	1.4
135.04428	16.0
136.30418	0.8
145.02849	9.9
146.31100	0.8
147.04379	1.8
150.99744	0.8
163.03917	100.0
164.04192	1.8
213.38570	0.9
237.02997	1.3
246.47513	0.9
307.08197	1.0
312.95172	0.8
325.09470	0.9
348.62720	0.9
517.12909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54722	0.6
53.03939	1.2
55.01845	1.4
57.03425	0.9
58.06605	0.6
61.02904	1.2
69.03423	6.3
70.04482	1.7
70.04886	1.3
70.06577	0.9
71.04980	1.0
72.08134	0.6
73.02901	0.8
79.05480	1.7
81.03416	4.6
81.07034	1.7
83.05004	0.9
84.08136	1.1
85.02414	1.0
85.02898	13.6
85.03417	0.7
86.09689	0.7
87.00821	2.4
89.03916	4.9
91.03971	0.8
91.05463	1.6
93.07050	0.8
95.04958	1.3
95.08598	1.3
97.02901	3.7
98.20679	0.5
99.04428	2.4
105.01862	2.1
105.07017	1.9
107.04961	2.0
107.08585	1.5
109.02872	3.2
109.10096	0.6
111.04453	0.8
117.03382	4.6
119.04938	0.6
119.08582	1.6
121.10152	0.6
123.04403	0.8
123.08041	0.6
127.03909	6.2
131.08554	2.1
133.10138	0.9
135.03381	0.8
135.04408	14.3
139.27190	0.6
145.02847	9.5
145.04912	3.7
145.10080	2.1
147.04420	0.9
147.11664	0.9
155.08536	1.1
157.10126	1.3
159.02885	2.2
159.07999	1.0
159.11719	1.9
161.13251	1.9
163.03900	100.0
164.04192	0.9
169.10028	0.7
173.09653	0.7
173.13258	1.4
182.10866	1.0
187.14731	1.2
197.13283	2.2
212.98399	0.8
215.14391	3.4
223.33490	0.6
231.04964	1.2
233.15350	14.0
251.16382	9.3
269.17426	1.1
343.17593	0.7
371.04352	1.0
385.02225	0.7
498.47064	0.7
499.21457	1.2
517.22498	2.3
538.04352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.05508	8.2
55.86512	3.6
57.07071	3.5
67.05502	21.7
69.07074	11.9
69.48114	25.8
71.04982	8.0
74.92154	2.7
79.05507	19.6
81.07062	52.7
83.08630	2.9
91.05466	18.1
93.07054	28.5
95.04968	8.7
95.08598	30.4
97.06546	7.4
105.07037	45.3
107.08594	21.7
109.06530	10.0
109.09494	2.7
109.10144	20.0
111.08031	4.1
116.77081	2.9
117.07072	7.8
119.08588	36.8
121.06520	3.3
121.10150	24.2
123.08056	4.3
131.08565	11.0
133.10129	28.3
135.08113	6.5
135.11685	7.2
137.09659	10.1
140.57135	2.8
142.07755	8.6
143.08591	12.4
145.10129	12.5
147.11670	17.9
149.09676	3.3
149.13234	3.7
151.11227	3.9
157.10129	27.4
159.11697	68.8
161.09645	9.3
161.13295	12.1
173.13266	4.2
175.11258	9.4
175.14850	3.5
177.12714	14.7
179.10709	11.1
189.16385	18.5
199.14853	24.5
217.15875	100.0
235.16942	56.0
263.23694	3.8
327.96405	3.3
497.39392	4.4
515.51147	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	516.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03932	3.8
55.01869	14.4
55.05492	2.0
56.49123	1.0
57.03421	4.5
58.42251	1.2
61.02910	4.3
61.39606	1.0
64.23129	0.9
67.05505	2.5
68.99774	4.1
69.03430	34.6
69.07049	4.5
70.06585	1.0
70.81431	3.2
71.01355	1.2
71.04974	4.1
73.02913	7.6
79.05487	3.8
81.03415	23.0
81.07047	2.1
81.76448	1.0
83.04962	3.2
85.02902	100.0
87.00827	18.5
91.05476	9.3
92.91571	1.0
93.07032	1.6
95.04960	2.5
95.08649	1.2
97.02885	20.0
97.06532	10.6
99.04457	20.3
101.02396	1.3
103.03880	1.6
105.01864	10.0
105.07040	2.6
107.04900	1.4
109.02877	27.9
109.06500	1.1
111.00868	1.1
115.05448	1.1
117.01817	2.0
119.04925	3.9
119.94258	0.9
121.06475	3.2
123.04395	3.8
127.03914	56.3
129.01825	6.7
129.06952	1.9
133.06497	1.3
135.04445	1.8
137.05978	23.8
145.04961	26.6
145.06332	2.8
147.02847	5.3
147.04103	1.2
149.05917	1.4
151.07495	1.2
153.21069	1.2
157.06544	1.2
157.72408	0.9
159.02869	9.1
159.08066	1.4
160.05199	1.4
161.05931	1.7
163.03891	1.1
163.07568	1.7
165.05392	4.9
166.09349	1.0
167.07037	1.2
171.02873	2.0
173.05975	2.8
175.07471	1.4
177.03989	1.4
183.08109	1.0
185.05896	1.3
186.06827	1.1
187.07556	2.5
189.03903	2.7
191.07042	17.5
200.13731	1.1
200.75975	1.0
204.07841	1.9
205.08554	2.8
207.10103	1.2
213.03972	4.1
215.10641	10.0
215.14099	1.2
216.04414	1.1
229.12216	1.2
231.02695	1.9
231.04991	31.6
233.11723	81.6
234.12053	1.9
243.95934	1.0
245.08185	1.2
245.11775	2.9
248.07701	1.6
249.06076	7.9
251.12769	4.4
257.11707	4.3
275.12717	7.1
295.13242	1.8
299.12753	4.3
317.13788	2.4
323.12823	5.9
327.10678	2.9
341.13806	13.1
359.14932	4.8
393.92648	1.1
414.66064	1.1
427.13715	1.2
445.14856	6.5
463.15927	4.0
481.16663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83433	1.3
51.95075	1.0
53.03938	4.6
54.42389	1.0
55.01867	17.2
55.05504	1.7
57.03432	6.9
61.02932	5.7
67.05494	1.7
67.54413	1.1
68.99791	5.0
69.03426	38.1
69.07076	6.0
69.07368	1.0
70.31176	2.3
70.31567	2.6
71.01316	1.3
71.05002	6.0
73.02898	6.2
79.05484	3.7
81.03409	23.7
81.07021	3.4
83.01305	1.1
83.04967	3.5
84.08115	1.1
85.02903	100.0
86.09661	1.0
87.00316	1.5
87.00828	18.6
89.95135	1.1
91.03941	1.7
91.05477	8.5
95.04936	1.6
97.02294	1.6
97.02890	23.7
97.06529	9.5
98.09740	1.2
99.04457	18.8
104.80656	1.1
105.01849	9.8
105.07046	2.9
107.04945	1.3
109.02878	29.0
109.06507	1.4
110.03255	1.1
111.00792	1.0
111.04348	1.0
115.03925	1.2
115.05499	1.2
117.01819	1.9
117.06978	1.6
119.04921	4.5
121.06495	4.5
123.04429	4.9
123.08051	1.0
127.03914	59.1
127.62993	1.1
129.01825	6.2
131.08543	2.1
133.06511	2.1
137.05963	20.4
143.08630	1.0
145.04951	31.5
145.06258	1.8
145.06461	2.3
147.02882	7.3
149.06013	1.6
151.07475	1.0
154.06218	3.6
159.02895	9.3
159.08067	1.6
161.05956	1.6
163.03882	1.4
163.07532	3.1
165.05438	6.1
165.06699	1.3
171.02853	1.8
173.05974	2.9
186.06717	2.0
187.07484	2.6
189.03935	3.2
191.07031	19.5
205.08594	2.2
213.03934	6.5
215.10677	15.1
216.46841	1.2
229.12216	1.3
231.04993	35.3
233.11717	80.7
243.10081	1.3
245.11705	4.6
248.07674	1.7
249.06110	13.3
251.12711	1.4
257.11710	7.7
266.08646	1.5
275.12775	8.1
287.12616	1.2
299.12784	5.2
309.09601	1.6
317.13864	1.7
323.09344	1.4
323.12827	5.7
327.10754	5.9
334.45911	1.1
341.13831	10.5
359.14780	3.1
368.40594	1.0
402.11749	2.3
418.20480	1.3
427.13861	2.1
445.15109	5.8
463.15964	5.6
481.17139	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14722	4.1
53.03940	7.4
55.05510	25.8
57.03423	13.2
61.02911	10.1
65.03919	6.3
67.05504	92.7
69.03413	12.2
69.07069	22.4
71.04994	6.6
71.24851	4.2
73.02908	4.4
79.05488	61.0
81.03416	13.6
81.07056	100.0
83.04996	8.1
83.08604	12.1
83.32678	3.9
85.02886	11.9
91.03942	6.3
91.05473	39.1
93.07043	69.0
95.04961	11.1
95.08602	71.9
97.02873	9.7
97.06535	7.3
97.10183	5.2
99.08131	5.0
105.07031	36.3
107.08597	38.6
109.06525	8.8
109.10139	39.9
111.08103	4.2
113.94228	4.8
117.07005	19.1
119.08581	22.1
121.06490	4.3
121.10138	35.8
123.08089	4.4
123.11682	16.1
127.03835	5.7
128.06209	7.2
129.07016	6.7
131.08554	30.7
133.06494	5.6
133.10121	19.2
135.08063	5.2
135.11678	23.2
137.13245	7.0
143.08546	8.6
145.10123	24.3
147.11684	16.6
149.09674	4.9
149.13260	12.1
157.10162	9.9
159.11671	27.3
161.09656	4.8
161.13242	16.8
163.14835	7.9
167.08601	5.0
171.11737	7.4
173.13249	19.8
175.14748	9.0
187.14835	13.9
229.49419	5.1
243.21097	14.2
261.22137	57.2
301.21637	7.8
303.23370	5.8
306.68372	4.3
307.73639	4.3
335.25760	19.3
342.99832	5.0
345.24188	12.0
353.26764	17.2
369.24316	8.9
387.25012	7.5
419.27942	4.9
443.27936	5.2
448.20535	4.7
457.91733	4.6
479.29803	7.9
497.31458	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01857	1.1
55.05261	1.1
55.05510	16.9
57.03432	5.2
57.07061	2.2
65.03920	3.3
67.05503	51.5
69.03423	1.5
69.06711	1.3
69.07066	15.7
71.01343	1.5
71.04977	3.1
79.05491	48.9
81.03402	3.1
81.07056	37.0
83.04968	5.9
83.08617	6.3
85.06544	2.8
90.57164	1.0
90.61423	1.1
91.05482	30.4
93.07043	49.7
95.04961	6.6
95.08606	27.4
97.06544	6.9
97.10162	6.4
99.08098	1.1
105.07034	18.2
107.04986	1.1
107.07874	1.7
107.08592	27.5
109.06470	1.8
109.10163	9.0
111.08057	1.8
111.14571	1.0
117.07020	10.8
119.08587	16.1
121.06513	1.5
121.10142	17.3
123.11719	3.2
125.09616	1.6
128.06203	1.2
129.07013	3.1
130.07809	1.7
131.08577	12.6
133.10130	12.1
135.08040	2.1
135.11691	29.9
135.12706	2.0
137.09660	1.2
143.08530	5.3
145.10120	16.6
147.11673	5.1
149.09747	1.1
149.13272	2.9
155.08559	2.4
157.10085	5.1
159.11694	10.0
161.13248	4.5
163.11139	6.0
163.14749	1.2
167.08498	1.1
169.10107	2.9
171.11656	6.2
173.13261	7.9
175.14935	2.8
181.12225	4.6
183.11748	2.3
185.13287	4.0
187.14832	2.9
195.11760	1.9
197.13345	2.4
199.14799	3.0
201.16489	2.0
219.75484	1.2
223.14857	1.2
229.71754	1.2
259.20700	1.2
261.22180	3.6
271.20706	1.0
311.23630	1.3
365.08176	1.1
405.31546	2.6
423.32538	8.8
441.33548	3.3
459.34790	1.4
497.35965	3.7
515.37305	100.0
516.37958	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01883	3.1
55.05507	23.6
57.03425	10.8
57.07057	5.6
61.02928	7.3
65.03941	3.3
67.05498	93.8
69.03416	9.4
69.07063	23.2
71.04978	8.6
71.65612	5.4
73.02898	3.3
79.05485	59.7
81.03410	8.2
81.07049	100.0
83.04989	4.9
83.08609	12.5
85.02892	10.6
91.03973	6.0
91.05470	36.4
92.13848	3.1
93.07031	71.9
95.04959	9.5
95.08596	89.9
97.02911	4.6
97.06525	8.1
97.10154	5.0
99.08105	4.2
103.03857	3.2
105.07008	33.0
107.08581	47.8
109.02808	3.0
109.06516	7.9
109.10146	34.3
117.06997	15.5
119.08569	27.9
121.10146	31.5
123.08065	5.1
123.11719	13.2
131.08556	25.9
133.10136	20.0
135.11678	25.4
137.13255	6.4
143.08524	6.7
145.10115	23.7
147.11658	19.9
149.13243	21.3
152.73990	3.3
155.08612	3.0
157.10095	5.2
159.11629	21.5
160.97810	3.5
161.13292	14.6
163.14818	12.7
171.11745	5.1
173.13295	16.6
175.14803	3.9
177.16457	5.0
185.13377	4.5
187.14822	10.7
189.55614	3.7
199.14958	3.9
201.16335	3.3
243.21089	18.5
261.22113	59.1
277.72470	2.9
279.23138	7.0
303.23041	4.9
317.24725	6.1
335.25723	23.3
353.26837	14.3
369.24173	5.9
383.89301	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	13.5
57.03432	1.4
60.78953	1.0
61.02913	1.4
69.03429	2.3
69.89158	1.0
70.01163	5.8
73.02898	1.6
81.03407	1.4
82.99853	1.7
84.96034	3.3
85.02902	6.9
94.99867	1.3
97.02890	8.6
98.21445	1.3
98.97575	15.7
98.98187	1.2
99.04498	1.0
100.99149	5.0
101.00875	6.5
110.97585	4.7
112.99124	2.3
116.98614	11.2
119.00157	2.0
119.01920	20.9
123.05517	1.1
127.02428	3.7
127.03902	3.1
128.81110	1.0
128.98598	8.7
131.00151	4.1
131.01874	6.8
133.03488	4.3
134.99658	3.1
136.06192	1.6
137.02937	2.3
143.00198	2.5
143.01897	19.8
144.98119	2.9
145.03462	30.9
145.04938	2.1
146.99638	9.5
149.01131	2.2
155.01878	13.9
157.03461	11.1
158.99648	8.2
161.01257	3.9
161.02968	21.5
162.99161	3.0
163.04506	4.4
165.00725	3.4
167.01930	6.8
168.05141	1.5
169.03453	4.6
170.99638	8.9
171.04988	2.2
172.97577	3.4
173.01396	2.2
173.02945	28.0
175.02986	2.1
175.04523	6.1
177.00722	9.0
179.02057	3.5
181.03403	1.8
182.99744	1.4
183.01701	1.6
184.04636	1.6
185.02948	37.7
187.04523	6.1
189.00745	11.9
189.93617	1.1
190.98645	9.7
191.04002	17.9
193.03818	1.9
197.02948	16.0
199.04533	2.2
200.04457	2.0
201.00687	13.9
203.04005	14.6
207.01738	2.2
208.04732	1.3
208.99721	12.3
209.04994	1.6
211.04611	1.6
213.00629	1.1
214.05673	1.6
214.98666	3.8
215.03969	10.0
219.01738	18.3
221.05017	2.2
227.00745	1.4
227.04012	6.7
231.01817	2.2
232.01178	1.3
232.99724	11.2
233.05020	17.5
237.02847	9.5
243.01743	4.1
244.99849	2.2
245.05072	100.0
246.05045	2.3
249.08340	1.2
251.00821	6.3
251.06116	3.3
255.07155	2.4
257.05054	6.6
261.02780	16.7
263.00833	3.1
263.06137	17.5
264.07642	3.2
265.05966	2.5
275.06110	20.7
279.03857	10.5
281.07095	2.9
283.07025	2.7
286.07953	1.9
291.03845	4.7
293.01746	2.7
293.07248	7.5
302.05527	1.1
305.07166	19.8
307.06967	3.0
308.12506	1.0
309.04907	2.3
317.01865	5.5
317.07147	4.2
321.04898	7.0
323.10364	1.6
325.07895	1.3
335.02924	6.7
335.08228	12.4
351.06097	1.9
353.03964	8.6
353.09238	2.2
365.09308	28.7
366.09412	1.5
381.07059	4.9
383.10300	1.4
395.09955	1.6
399.08093	4.2
404.75339	1.3
407.10300	3.0
455.10696	1.8
497.08249	1.6
497.13458	6.9
515.08887	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.6
58.44286	0.5
58.99875	0.5
70.48404	1.7
73.02880	0.5
77.48866	0.5
82.99896	1.6
84.96051	2.9
85.02888	1.0
94.06592	0.5
94.77545	0.5
94.99841	0.5
97.02873	1.0
98.97586	8.2
100.60838	0.5
100.99130	2.1
101.00873	6.1
102.44305	0.5
109.02853	0.6
109.67258	0.5
110.97569	3.8
113.00851	1.1
116.98620	4.0
117.18543	0.5
119.00159	0.7
119.01923	14.2
127.02412	4.9
127.03913	1.1
128.98636	4.2
131.00215	2.6
131.01892	4.7
131.51956	0.6
133.03477	2.3
134.99623	0.5
137.01997	0.6
137.02979	1.7
138.05559	0.6
139.02397	1.1
140.98572	1.1
143.00166	1.7
143.01898	13.8
144.98088	1.0
145.03462	25.3
146.03482	1.0
146.99614	2.5
147.01393	0.8
147.05013	0.6
148.60660	0.5
149.01222	1.7
151.03445	0.6
155.01892	10.6
157.03456	11.0
158.03484	0.5
158.99654	4.2
161.01448	1.0
161.02962	16.2
162.99100	0.6
163.04503	3.3
165.00713	1.0
167.01881	6.7
169.03394	2.7
170.99696	4.3
171.01085	0.7
171.05005	1.7
172.97615	1.7
173.01408	1.4
173.02950	20.1
175.04523	5.1
177.00728	3.4
179.01923	2.5
181.03391	0.6
181.54616	0.7
182.99644	2.0
185.02959	32.2
186.03076	1.1
187.04541	4.2
189.00662	3.4
190.05028	1.1
190.98621	3.7
191.02351	1.0
191.03949	12.3
197.02966	12.3
197.04778	0.8
199.04501	1.8
201.00723	7.1
202.05075	1.2
202.55113	2.7
203.03853	10.2
204.04013	0.9
208.99661	5.5
209.02965	1.5
209.05067	1.5
211.04451	0.7
211.55521	1.0
212.05527	0.9
213.00531	0.6
214.98660	1.9
215.02373	0.7
215.04056	7.5
219.01799	6.9
221.05080	1.7
227.00629	0.6
227.04010	6.9
229.05730	0.7
231.01820	0.8
232.03568	0.6
232.56091	0.8
232.99756	5.4
233.05046	15.8
234.05235	0.8
237.02882	3.1
239.03986	1.6
243.01680	2.3
245.05078	100.0
246.05214	3.0
247.04793	0.6
251.00723	3.7
251.06200	4.0
255.07124	0.9
257.05075	6.2
261.02808	6.9
262.07184	0.5
262.57382	0.8
263.00781	1.8
263.06149	14.5
264.07608	1.4
265.05939	5.2
273.02737	1.2
275.06113	19.7
276.06323	0.9
279.03961	3.6
281.07251	0.6
283.07007	5.2
286.07825	0.9
287.06155	1.2
291.03833	2.0
292.98746	0.6
293.01797	1.7
293.07333	6.9
294.07327	0.6
305.03680	0.9
305.07193	17.8
307.07013	9.5
311.06448	0.8
317.01794	2.5
317.07220	3.5
321.04916	4.2
321.10294	0.9
323.10165	0.6
325.08081	3.8
333.04987	1.5
335.03271	3.5
335.08252	13.3
340.98410	0.6
344.09805	1.2
347.08090	1.2
348.08759	0.7
351.05960	1.2
353.03906	5.8
353.09222	2.3
365.09296	29.8
366.09592	1.1
378.94107	0.6
381.07062	2.5
383.10361	2.9
399.07999	2.7
406.11993	0.7
407.09995	0.9
455.10141	1.8
455.14539	1.8
497.13834	6.4
515.08008	7.5
515.14929	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05509	7.1
55.93519	1.9
57.03429	8.4
61.02915	13.9
67.05493	27.2
69.03424	8.0
69.07072	7.8
70.77496	6.3
71.08620	3.2
73.02911	5.2
77.03915	2.3
79.05052	3.0
79.05486	31.6
81.03410	4.9
81.07043	28.9
81.17029	1.9
83.04997	3.0
83.08607	3.7
84.56412	1.8
85.02888	12.7
85.06565	2.4
91.03954	6.5
91.05479	20.6
93.07035	41.0
95.04968	6.4
95.08600	22.3
97.02880	9.9
97.06535	2.4
99.08094	3.0
105.07015	30.2
107.08596	26.5
109.06474	2.3
109.10154	7.3
113.09663	2.8
117.07020	7.0
119.08574	28.8
121.10123	22.3
123.11709	2.0
123.16853	2.0
127.03954	2.5
129.06993	6.7
131.08553	14.5
133.10135	24.6
135.08052	2.8
135.11678	23.7
143.08551	7.3
145.10118	12.1
147.11690	21.6
149.13213	13.3
151.11179	3.0
157.10138	7.9
159.11696	9.6
161.13269	16.0
163.11157	2.0
163.14792	5.6
171.11705	5.9
173.13268	8.2
175.11273	1.9
175.14725	9.4
177.12805	2.4
179.14278	14.6
183.11732	2.6
185.13249	7.4
187.14774	2.8
199.14838	3.0
203.14311	2.1
231.21147	3.1
241.19574	21.6
259.20544	36.6
271.20529	2.4
277.21661	13.7
307.89807	2.1
333.24124	6.7
333.27682	2.1
351.25256	100.0
363.25327	2.4
379.24609	2.1
417.26529	3.2
441.26578	3.4
459.27466	4.2
495.29614	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	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58590	2.8
53.03944	8.7
55.01869	3.6
55.05497	7.5
55.47788	2.6
57.03429	7.7
62.71350	3.2
64.06367	3.0
65.03927	2.9
67.05515	14.4
69.03426	9.9
69.07062	5.0
70.06588	8.8
71.04984	6.5
71.65122	3.1
71.65509	5.5
72.08138	3.3
79.05486	12.6
81.03413	100.0
81.07041	10.9
83.04981	6.5
83.08619	25.7
83.55502	2.9
85.02908	11.3
85.06516	4.2
86.09698	8.2
91.05486	16.2
93.07049	12.4
95.04963	36.2
95.08609	4.1
97.02895	21.3
97.06514	4.9
97.10212	3.2
98.89531	3.2
105.07027	11.7
107.04959	4.9
107.08597	5.7
109.02852	4.2
109.06515	5.3
111.08068	15.3
119.08572	10.7
121.06535	4.8
121.10129	8.2
127.03927	9.0
129.06952	7.6
131.08557	8.6
133.10178	3.4
139.03978	3.4
145.10115	4.7
147.11629	7.5
149.09641	10.4
157.10123	13.8
163.11151	3.4
165.12654	4.6
167.10683	3.3
170.72617	3.2
175.11180	11.6
193.12242	80.6
211.13268	7.8
267.15936	46.2
285.16946	80.0
309.16876	11.5
345.99524	3.6
429.21231	6.0
515.21075	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	511.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.05499	10.7
57.07060	8.4
67.05501	27.1
69.07059	27.5
70.86179	7.3
70.86534	3.3
79.05490	18.7
81.07053	100.0
83.08622	8.8
85.06544	9.9
90.72000	2.4
91.05479	18.6
91.05966	2.8
93.07040	35.3
95.04957	3.7
95.08602	69.0
97.06540	3.6
99.07997	2.7
105.07022	45.3
107.08589	32.1
109.06505	4.2
109.10149	50.9
111.11697	2.9
117.07027	8.8
119.08576	31.0
121.06499	2.8
121.10136	21.4
123.08102	3.0
123.11702	48.2
129.07018	5.7
131.08548	18.6
133.06459	3.4
133.10114	26.8
135.08051	5.6
135.11659	21.4
137.13243	47.3
139.07491	3.4
142.07797	14.6
143.08588	10.7
145.10100	25.8
147.11682	18.4
149.13197	13.2
151.07539	4.2
155.08534	8.0
156.85057	3.4
157.10129	31.4
158.10960	2.7
159.08105	4.2
159.11693	37.6
161.13237	9.3
163.11174	4.9
163.14781	4.4
168.09383	3.6
169.10091	13.4
171.11644	13.3
173.09608	3.4
173.13281	10.5
175.11200	20.9
175.14720	3.4
177.12744	14.3
179.10690	5.1
180.09282	2.8
181.10075	7.7
183.11679	13.7
185.13275	9.4
187.11069	3.8
187.14851	5.9
189.16478	3.0
193.12184	3.8
195.11676	8.5
197.13255	11.0
199.14796	5.9
201.12743	5.4
205.12242	2.8
209.13290	12.6
211.14816	9.7
213.12691	3.1
213.16367	5.8
215.14320	3.5
221.13332	6.2
223.14896	9.3
225.16438	6.6
227.18037	4.4
229.12213	3.6
229.16008	3.2
229.19508	12.4
235.14806	4.1
239.14494	2.8
239.17981	8.0
241.19508	3.5
249.16423	4.9
251.17950	9.5
251.80605	2.6
253.19554	4.5
255.17497	2.9
257.19019	5.3
263.18103	6.5
265.19562	4.2
267.17532	4.5
269.18958	11.0
273.18399	4.3
275.20139	7.3
281.18890	9.4
281.22263	2.8
297.18463	7.4
309.22000	3.0
315.19382	6.9
327.19550	3.0
341.21423	3.6
387.30511	5.6
405.31494	27.3
409.30841	3.7
415.29996	3.3
423.32678	4.7
433.31036	19.3
451.31888	15.6
511.34085	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	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03920	3.5
55.05502	6.5
57.03427	4.0
59.65247	1.5
60.34155	1.8
61.02924	13.2
67.05493	20.6
68.33578	1.5
69.03412	3.1
69.07047	5.3
70.83638	5.8
73.02902	4.7
79.05483	26.6
81.03418	5.4
81.07047	27.7
83.04940	2.3
83.08613	3.3
85.02895	9.9
91.03935	7.3
91.05472	23.7
93.07034	30.3
95.04959	4.1
95.08596	18.4
97.02865	7.9
97.10123	2.5
105.07016	21.3
107.08585	21.8
109.06520	2.1
109.10136	5.2
116.24568	1.6
117.07001	6.2
119.07770	3.0
119.08572	24.5
121.10128	21.7
127.03933	2.1
129.06950	4.0
131.08554	13.0
133.10115	23.0
135.11679	18.1
137.09595	2.1
141.07010	2.0
143.08542	4.8
143.67125	2.0
145.10124	14.2
147.11684	21.2
149.13229	10.4
155.08472	2.7
157.10110	7.6
159.11696	13.0
161.13258	17.9
163.11163	1.7
163.14845	5.3
168.76021	2.1
169.10025	2.8
171.11617	10.2
173.13274	8.7
175.14839	10.4
177.12808	2.6
183.07906	2.1
185.13196	5.7
187.14746	3.5
189.12685	2.4
191.14250	2.5
199.14818	3.5
217.19405	3.0
241.19493	18.2
259.20547	41.2
277.21652	6.0
301.21448	2.5
333.24219	6.6
349.23895	3.4
351.25259	100.0
352.25412	1.9
361.23593	2.6
373.19940	1.9
441.26382	3.4
459.27469	2.0
477.28421	2.8
477.80231	1.9
495.29553	4.4
513.30518	2.1
529.09113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14185	3.8
52.16227	3.5
53.03929	6.8
55.05504	16.8
56.06195	3.2
57.03426	7.9
61.02917	17.1
67.05502	31.7
68.87522	3.6
69.03426	7.4
69.07060	12.8
69.72617	29.0
71.05000	6.7
73.02907	7.5
79.05490	33.1
81.03428	8.9
81.07049	31.0
83.04979	6.7
83.08611	8.2
85.02897	12.5
91.03961	7.3
91.05473	41.2
93.07050	41.9
95.04998	6.4
95.08606	30.1
95.61803	3.5
97.02881	14.0
97.06516	5.8
98.27731	4.0
99.04443	4.5
102.35984	4.9
105.07028	45.5
107.08587	26.2
109.06450	4.8
109.10161	16.7
117.07040	9.3
119.08568	33.0
121.10147	14.8
129.06990	6.3
131.08559	19.5
133.10141	31.7
135.11674	17.5
135.13326	3.5
143.08592	10.6
145.10133	18.6
147.11671	28.4
149.13246	13.1
157.10135	12.3
159.11711	22.3
161.13222	20.2
163.11168	3.5
171.11711	10.9
173.13292	14.8
175.11157	4.1
175.14828	11.4
185.13252	7.9
199.14816	5.5
231.21167	4.8
241.19618	18.0
259.20557	49.2
277.21445	5.9
330.10397	3.6
349.23566	8.1
351.25256	100.0
375.25452	6.6
441.26468	6.0
477.28943	4.2
495.29733	8.5
513.29230	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	511.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.05508	17.3
57.07062	9.2
67.05209	2.8
67.05505	32.9
69.07067	34.0
69.44950	20.3
69.45351	5.4
77.74057	2.2
79.04681	2.5
79.05493	26.8
81.07053	100.0
83.08585	13.3
85.06535	10.3
91.05470	35.6
93.07040	45.1
95.04967	7.2
95.08599	86.3
95.09222	3.0
97.10149	6.2
99.21591	2.2
101.97832	2.8
103.05442	2.4
105.07026	64.8
105.07720	2.3
107.04927	3.1
107.08593	42.4
109.10145	53.6
111.08070	3.8
115.05419	3.8
116.58488	2.5
117.06991	21.9
119.08576	40.3
121.10133	24.5
123.11691	24.3
125.05974	3.1
129.07007	12.2
130.07739	2.6
131.08543	30.3
133.10117	37.4
135.04381	3.2
135.11671	28.1
137.05920	3.4
137.13258	32.3
141.07001	7.9
142.07796	14.7
143.08557	23.7
144.09360	5.3
145.10112	39.8
147.07982	3.5
147.11682	26.8
149.05956	4.4
149.13240	25.7
151.07565	2.6
151.14792	3.3
154.07765	2.7
155.08556	15.7
156.09346	3.4
157.10117	46.4
158.10872	4.4
159.08073	3.2
159.11671	48.9
161.13242	12.0
163.11130	3.2
163.14816	6.4
165.06992	3.2
165.09230	2.6
167.08549	4.1
168.09270	3.5
169.10130	14.6
171.11687	13.2
173.13260	11.3
175.07565	4.0
175.11165	31.0
175.14777	5.7
177.12753	22.5
179.08524	4.5
179.29655	2.6
181.10155	7.6
183.11653	17.3
185.13206	11.7
187.14832	9.2
189.09079	4.9
189.12489	3.0
189.16382	6.6
191.10669	8.0
191.17892	2.5
193.10146	5.9
193.12274	2.7
195.11684	12.6
196.12395	3.1
197.13280	13.1
199.14809	6.7
201.12729	4.7
201.16342	3.0
203.17978	3.3
207.11719	6.7
209.13251	14.0
211.14790	9.2
213.16328	6.0
215.31250	2.8
220.12418	4.0
221.13243	5.6
223.14821	8.3
225.16364	5.4
227.14255	4.2
227.17973	4.1
229.12231	9.2
229.19547	14.7
231.21042	3.4
235.14742	8.0
237.16316	7.4
239.17850	3.4
241.15813	4.7
241.19405	4.6
247.15013	2.7
249.16379	9.1
251.17949	5.0
253.19405	3.0
255.17445	8.7
257.19000	5.9
263.17935	7.2
265.19504	6.1
267.17444	5.4
269.19040	4.8
273.18579	5.6
275.20142	3.6
279.21094	4.4
281.18924	4.6
295.17288	3.1
295.20587	2.6
297.18512	4.6
297.22064	2.4
305.22586	5.3
309.18475	4.8
323.23578	4.7
347.27191	7.0
349.25235	2.8
351.23254	4.5
369.24310	5.0
377.31961	3.3
387.30530	13.3
393.27869	4.0
405.31519	37.4
409.30646	3.2
423.32281	6.1
433.31067	31.0
451.32065	28.1
465.33997	4.4
511.34009	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	511.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.05503	19.2
57.07068	7.3
63.84006	2.8
64.91170	3.0
67.05502	40.1
67.18970	2.7
69.07066	38.4
77.03914	3.7
79.05490	27.8
81.07051	100.0
83.04933	3.4
83.08608	12.9
85.06520	7.0
89.24382	3.4
90.85153	3.6
91.05466	34.8
93.07040	48.3
95.04945	5.0
95.08601	96.7
105.06324	3.3
105.07018	70.2
107.08596	41.6
109.06523	4.3
109.10147	53.3
111.08070	3.5
111.11690	3.9
115.05540	4.3
117.07027	23.8
119.08575	45.0
121.06535	3.6
121.10149	25.6
123.11700	21.5
125.06013	5.4
128.06172	3.8
129.07018	14.4
131.08566	36.0
133.10133	28.7
135.11671	34.0
137.13249	26.7
139.07513	3.2
141.07028	3.9
142.07790	10.2
143.08589	16.1
144.09282	3.6
145.10112	37.4
147.08099	4.1
147.11687	24.7
149.13237	21.5
150.72113	3.0
155.08563	15.2
157.10100	43.3
158.10944	3.1
159.11688	48.5
161.09639	7.5
161.13264	12.2
163.14822	7.5
167.08519	6.1
168.09259	4.8
169.10121	16.1
171.11644	16.9
173.13220	13.9
173.38049	3.0
175.11185	33.4
175.14932	4.0
177.09116	2.9
177.12737	18.2
179.08667	4.0
181.10072	10.4
183.11786	16.5
185.13232	9.8
187.11122	3.3
187.14796	9.6
189.16272	4.6
191.10641	3.9
193.10133	4.7
195.11697	14.5
197.13239	17.3
199.14923	6.2
201.12767	4.6
207.11679	5.5
209.13220	16.5
211.14748	10.5
213.16336	4.7
221.13225	5.4
223.14757	16.1
225.16394	9.7
229.12224	8.2
229.19514	13.3
230.79053	4.9
235.14816	9.2
237.16362	10.8
239.17934	7.6
241.15834	5.6
241.19511	4.9
243.13702	5.1
249.16371	5.9
251.17943	8.3
253.19556	5.7
255.17270	7.3
263.17923	7.0
265.19534	5.3
267.17310	5.1
269.18741	5.2
275.20328	3.7
277.19525	6.6
281.18967	4.9
283.16986	4.0
291.20993	4.8
305.22339	6.0
309.18484	4.6
323.23822	6.4
347.27145	7.2
351.23053	5.6
377.32199	3.8
387.30438	12.4
393.27988	3.0
405.31555	37.7
423.32327	7.2
433.31036	29.2
451.32141	28.0
511.33972	12.2
END